A0A077Z101_TRITR Loading...

5' tyrosyl DNA phosphodiesterase

AlphaFold DB , UniProt , Accession A0A077Z101, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 363 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	35.3	Very low	46.2	Very low	254 Å²	254	140.8 Å²	140.8	100%	1.251	81%	0.811	S	S	*	*				0	95.5	0	-74.5	-180	159.1	0	0	107.5
2	S	35.8	Very low	49.5	Very low	115 Å²	115	132.3 Å²	132.3	80%	0.804	76%	0.764	S	S	*	*			trans	-158.4	96.1	170.1	177.9	0	0	0	0	105.4
3	S	38.7	Very low	52.8	Low	109 Å²	109	129.4 Å²	129.4	76%	0.762	74%	0.744	S	S	*	*			trans	-118.3	101	166.4	48.5	0	0	0	0	105	D5	S3-D5 PolarHBondContact O-N 2.61Å; S3-D5 VanDerWaalsContact O-N 3.15Å
4	T	36.8	Very low	55.4	Low	130 Å²	130	132.6 Å²	132.6	80%	0.798	75%	0.749	S	S	*	*			trans	-65.2	104.4	171.3	-43	0	0	0	0	107.3	C6	T4-C6 PolarHBondContact O-N 2.89Å
5	D	37.4	Very low	57.9	Low	153 Å²	153	138.1 Å²	138.1	82%	0.818	75%	0.753	S	S	*	*			trans	-63.9	128	171.2	-98.6	-33.4	0	0	0	109.2	S3 S7	S3-D5 PolarHBondContact O-N 2.61Å; S3-D5 VanDerWaalsContact O-N 3.15Å; D5-S7 PolarHBondContact O-N 2.98Å
6	C	33.6	Very low	60	Low	124 Å²	124	132 Å²	132	84%	0.838	72%	0.722	S	S	*	*			trans	-64.1	122.8	172.1	-74.9	0	0	0	0	109.3	T4 E8	T4-C6 PolarHBondContact O-N 2.89Å; C6-E8 PolarHBondContact O-N 2.88Å
7	S	38.9	Very low	61.9	Low	112 Å²	112	125.2 Å²	125.2	78%	0.783	69%	0.686	S	S	*	*			trans	-48.4	113.2	-179.6	55.1	0	0	0	0	113.7	D5 S9	D5-S7 PolarHBondContact O-N 2.98Å; S7-S9 PolarHBondContact O-N 3.29Å
8	E	47.1	Very low	63.6	Low	174 Å²	174	125.9 Å²	125.9	81%	0.813	68%	0.681	S	S	*	*			trans	-59.9	124.2	143.3	-69.8	-176	157.5	0	0	106.6	C6 E10	C6-E8 PolarHBondContact O-N 2.88Å; E8-E10 PolarHBondContact O-N 2.9Å
9	S	54.9	Low	65.4	Low	103 Å²	103	125.3 Å²	125.3	72%	0.72	67%	0.668	S	S	*	*			trans	-68.4	89.7	173.9	56.6	0	0	0	0	108.1	S7 I11	S7-S9 PolarHBondContact O-N 3.29Å; S9-I11 PolarHBondContact O-N 3.43Å
10	E	67.4	Low	66.9	Low	177 Å²	177	119.8 Å²	119.8	83%	0.827	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-55.7	124.2	175.7	-85.6	-176.8	151.7	0	0	109.1	E8	E8-E10 PolarHBondContact O-N 2.9Å
11	I	82.1	Confident	68.2	Low	98 Å²	98	114.4 Å²	114.4	50%	0.503	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-58.5	127	169.4	-62.7	172.7	0	0	0	106.5	S9	S9-I11 PolarHBondContact O-N 3.43Å
12	P	86.5	Confident	71	Confident	38 Å²	38	105.3 Å²	105.3	25%	0.247	57%	0.567	C	S	.	*	P	Polyproline II helix	trans	-57.8	162.8	179.8	-23	32.9	0	0	0	112.2	T16 C17 W44	P12-T16 HydrophobicContact CB-CG2 3.58Å; P12-T16 HydrophobicContact CG-CG2 4.34Å; P12-C17 PolarHBondContact O-SG 3.09Å; P12-W44 VanDerWaalsContact CD-CD1 3.45Å; P12-W44 VanDerWaalsContact CD-CG 3.4Å; P12-W44 HydrophobicContact CG-CB 3.65Å; P12-W44 HydrophobicContact CG-CD2 4.33Å; P12-W44 HydrophobicContact CG-CG 3.86Å
13	D	91.8	Very high	73.8	Confident	95 Å²	95	103 Å²	103	51%	0.508	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-59.1	158	174.2	68.9	88.8	0	0	0	112	R15 T16 C17	D13-R15 PolarHBondContact O-N 3.05Å; D13-R15 VanDerWaalsContact O-N 3.17Å; D13-R15 WeakPolarHBondContact OD1-CA 3.33Å; D13-R15 VanDerWaalsContact OD1-CB 3.29Å; D13-R15 WeakPolarHBondContact OD1-CB 3.33Å; D13-R15 PolarHBondContact OD1-N 3.17Å; D13-R15 VanDerWaalsContact OD1-N 3.08Å; D13-T16 PolarHBondContact O-N 3.26Å; D13-T16 PolarHBondContact OD1-N 2.7Å; D13-T16 PolarHBondContact OD1-OG1 2.84Å; D13-T16 VanDerWaalsContact OD2-CB 3.31Å; D13-T16 WeakPolarHBondContact OD2-CB 3.31Å; D13-T16 PolarHBondContact OD2-OG1 2.89Å; D13-C17 PolarHBondContact O-N 3Å; D13-C17 PolarHBondContact O-SG 3.44Å; D13-C17 VanDerWaalsContact O-SG 3.4Å
14	E	89.9	Confident	76.5	Confident	175 Å²	175	97.8 Å²	97.8	82%	0.818	51%	0.507	S	S	*	.	H	α-helix	trans	-56	-36.4	-174.7	-172.7	179.1	-174.6	0	0	112.9	C17 F18	E14-C17 PolarHBondContact O-N 3.41Å; E14-F18 WeakPolarHBondContact O-CB 3.29Å; E14-F18 PolarHBondContact O-N 2.95Å
15	R	91.9	Very high	79.1	Confident	215 Å²	215	92.2 Å²	92.2	81%	0.811	47%	0.474	S	S	*	.	H	α-helix	trans	-70.5	-40.6	179.1	-173	-178.3	-178.7	179.9	0.8	111	D13 R19	D13-R15 PolarHBondContact O-N 3.05Å; D13-R15 VanDerWaalsContact O-N 3.17Å; D13-R15 WeakPolarHBondContact OD1-CA 3.33Å; D13-R15 VanDerWaalsContact OD1-CB 3.29Å; D13-R15 WeakPolarHBondContact OD1-CB 3.33Å; D13-R15 PolarHBondContact OD1-N 3.17Å; D13-R15 VanDerWaalsContact OD1-N 3.08Å; R15-R19 PolarHBondContact O-N 3.24Å
16	T	92.7	Very high	81.8	Confident	40 Å²	40	91.4 Å²	91.4	25%	0.245	47%	0.465	C	S	.	.	H	α-helix	trans	-64.9	-44.3	173.8	-63.9	0	0	0	0	111.2	P12 D13 F18 R19 L20	P12-T16 HydrophobicContact CB-CG2 3.58Å; P12-T16 HydrophobicContact CG-CG2 4.34Å; D13-T16 PolarHBondContact O-N 3.26Å; D13-T16 PolarHBondContact OD1-N 2.7Å; D13-T16 PolarHBondContact OD1-OG1 2.84Å; D13-T16 VanDerWaalsContact OD2-CB 3.31Å; D13-T16 WeakPolarHBondContact OD2-CB 3.31Å; D13-T16 PolarHBondContact OD2-OG1 2.89Å; T16-F18 PolarHBondContact O-N 3.18Å; T16-R19 PolarHBondContact O-N 2.69Å; T16-L20 HydrophobicContact CG2-CD1 3.92Å; T16-L20 HydrophobicContact CG2-CG 4.31Å; T16-L20 VanDerWaalsContact O-CG 3.3Å; T16-L20 WeakPolarHBondContact O-CG 3.45Å; T16-L20 PolarHBondContact O-N 3.47Å
17	C	91.6	Very high	84.5	Confident	16 Å²	16	90.5 Å²	90.5	11%	0.108	45%	0.452	C	S	.	.	H	α-helix	trans	-57.2	-49.4	175.3	-71.7	0	0	0	0	111.7	P12 D13 E14 R19 L20 C21 W44	P12-C17 PolarHBondContact O-SG 3.09Å; D13-C17 PolarHBondContact O-N 3Å; D13-C17 PolarHBondContact O-SG 3.44Å; D13-C17 VanDerWaalsContact O-SG 3.4Å; E14-C17 PolarHBondContact O-N 3.41Å; C17-R19 VanDerWaalsContact C-N 3.35Å; C17-R19 PolarHBondContact O-N 3.12Å; C17-L20 PolarHBondContact O-N 3.48Å; C17-C21 PolarHBondContact O-N 3.04Å; C17-C21 PolarHBondContact O-SG 3.37Å; C17-W44 HydrophobicContact CB-CE3 4.17Å; C17-W44 HydrophobicContact CB-CH2 3.36Å; C17-W44 HydrophobicContact CB-CZ2 4.05Å; C17-W44 HydrophobicContact CB-CZ3 3.44Å; C17-W44 VanDerWaalsContact CB-CZ3 3.44Å; C17-W44 WeakPolarHBondContact O-CZ3 3.44Å; C17-W44 WeakPolarHBondContact SG-CH2 3.43Å; C17-W44 VanDerWaalsContact SG-CZ2 3.5Å
18	F	92.7	Very high	86.8	Confident	139 Å²	139	85.8 Å²	85.8	61%	0.61	42%	0.418	S	S	*	.	H	α-helix	trans	-60	-42.6	178.1	-175.7	-98	0	0	0	112.5	E14 T16 C21 N22	E14-F18 WeakPolarHBondContact O-CB 3.29Å; E14-F18 PolarHBondContact O-N 2.95Å; T16-F18 PolarHBondContact O-N 3.18Å; F18-C21 PolarHBondContact O-N 3.33Å; F18-N22 WeakPolarHBondContact CD1-ND2 3.47Å; F18-N22 WeakPolarHBondContact CE1-ND2 3.41Å; F18-N22 WeakPolarHBondContact CZ-ND2 3.49Å; F18-N22 PolarHBondContact O-N 3Å; F18-N22 PolarHBondContact O-ND2 3.36Å
19	R	96.8	Very high	88.8	Confident	113 Å²	113	85.8 Å²	85.8	43%	0.426	42%	0.415	S	S	.	.	H	α-helix	trans	-61.8	-48.5	176.4	-176	-174.7	60.2	73.9	5.1	111.7	R15 T16 C17 C21 N22 E23	R15-R19 PolarHBondContact O-N 3.24Å; T16-R19 PolarHBondContact O-N 2.69Å; C17-R19 VanDerWaalsContact C-N 3.35Å; C17-R19 PolarHBondContact O-N 3.12Å; R19-C21 VanDerWaalsContact C-N 3.34Å; R19-C21 PolarHBondContact O-N 3.49Å; R19-N22 PolarHBondContact O-N 2.93Å; R19-E23 WeakPolarHBondContact CG-OE1 3.45Å; R19-E23 IonicContact CZ-OE1 2.8Å; R19-E23 IonicContact NH1-OE1 3.82Å; R19-E23 PolarHBondContact NH1-OE1 3.03Å; R19-E23 IonicContact NH1-OE2 2.76Å; R19-E23 PolarHBondContact NH1-OE2 3.19Å; R19-E23 PolarHBondContact O-N 3.26Å
20	L	96.1	Very high	90.5	Very high	15 Å²	15	83.2 Å²	83.2	8%	0.079	40%	0.395	C	S	.	.	H	α-helix	trans	-62.6	-40.6	-179.4	-67.5	172	0	0	0	111.7	T16 C17 N22 E23 F24 L39 W44 L46	T16-L20 HydrophobicContact CG2-CD1 3.92Å; T16-L20 HydrophobicContact CG2-CG 4.31Å; T16-L20 VanDerWaalsContact O-CG 3.3Å; T16-L20 WeakPolarHBondContact O-CG 3.45Å; T16-L20 PolarHBondContact O-N 3.47Å; C17-L20 PolarHBondContact O-N 3.48Å; L20-N22 VanDerWaalsContact C-N 3.31Å; L20-N22 PolarHBondContact O-N 2.98Å; L20-E23 PolarHBondContact O-N 3.4Å; L20-F24 WeakPolarHBondContact O-CB 3.32Å; L20-F24 PolarHBondContact O-N 3.27Å; L20-L39 HydrophobicContact CB-CD1 3.71Å; L20-L39 HydrophobicContact CB-CD2 4.25Å; L20-L39 WeakPolarHBondContact O-CD1 3.42Å; L20-W44 HydrophobicContact CB-CE3 4.33Å; L20-W44 HydrophobicContact CD1-CB 4.3Å; L20-W44 HydrophobicContact CD1-CE3 3.92Å; L20-L46 HydrophobicContact CD2-CB 4.09Å; L20-L46 HydrophobicContact CD2-CD2 4.46Å
21	C	94.1	Very high	91.5	Very high	7 Å²	7	79.3 Å²	79.3	5%	0.047	38%	0.38	C	S	.	.	H	α-helix	trans	-60.8	-39.6	176.2	-69.3	0	0	0	0	112.5	C17 F18 R19 A25 H36 L39	C17-C21 PolarHBondContact O-N 3.04Å; C17-C21 PolarHBondContact O-SG 3.37Å; F18-C21 PolarHBondContact O-N 3.33Å; R19-C21 VanDerWaalsContact C-N 3.34Å; R19-C21 PolarHBondContact O-N 3.49Å; C21-A25 WeakPolarHBondContact O-CB 3.35Å; C21-A25 PolarHBondContact O-N 3.03Å; C21-H36 VanDerWaalsContact SG-CA 3.54Å; C21-L39 HydrophobicContact CB-CD1 4.4Å
22	N	93.9	Very high	91.7	Very high	64 Å²	64	77.4 Å²	77.4	34%	0.342	38%	0.376	S	S	.	.	H	α-helix	trans	-72.5	-41.1	177.7	-68.1	-28.4	0	0	0	112.2	F18 R19 L20 F24 A25 E26	F18-N22 WeakPolarHBondContact CD1-ND2 3.47Å; F18-N22 WeakPolarHBondContact CE1-ND2 3.41Å; F18-N22 WeakPolarHBondContact CZ-ND2 3.49Å; F18-N22 PolarHBondContact O-N 3Å; F18-N22 PolarHBondContact O-ND2 3.36Å; R19-N22 PolarHBondContact O-N 2.93Å; L20-N22 VanDerWaalsContact C-N 3.31Å; L20-N22 PolarHBondContact O-N 2.98Å; N22-F24 VanDerWaalsContact C-N 3.34Å; N22-A25 PolarHBondContact O-N 3.31Å; N22-E26 PolarHBondContact O-N 3.1Å
23	E	95.4	Very high	91.5	Very high	66 Å²	66	78.9 Å²	78.9	31%	0.308	39%	0.391	S	S	.	.	H	α-helix	trans	-62.7	-42.1	175.1	-78.4	174.8	-163.2	0	0	111.5	R19 L20 E26 L27 L46	R19-E23 WeakPolarHBondContact CG-OE1 3.45Å; R19-E23 IonicContact CZ-OE1 2.8Å; R19-E23 IonicContact NH1-OE1 3.82Å; R19-E23 PolarHBondContact NH1-OE1 3.03Å; R19-E23 IonicContact NH1-OE2 2.76Å; R19-E23 PolarHBondContact NH1-OE2 3.19Å; R19-E23 PolarHBondContact O-N 3.26Å; L20-E23 PolarHBondContact O-N 3.4Å; E23-E26 PolarHBondContact O-N 2.81Å; E23-L27 WeakPolarHBondContact O-CB 3.49Å; E23-L27 VanDerWaalsContact O-CG 3.29Å; E23-L27 WeakPolarHBondContact O-CG 3.4Å; E23-L27 PolarHBondContact O-N 3.3Å; E23-L46 HydrophobicContact CB-CD1 4.45Å; E23-L46 HydrophobicContact CB-CD2 3.79Å; E23-L46 VanDerWaalsContact OE2-CD2 3.31Å; E23-L46 WeakPolarHBondContact OE2-CD2 3.46Å
24	F	95.2	Very high	90.9	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-56.7	-54.9	172.2	-178.5	-77.6	0	0	0	110.2	L20 N22 E26 L27 T28 Y38 L39 L46 A49 V50 F53	L20-F24 WeakPolarHBondContact O-CB 3.32Å; L20-F24 PolarHBondContact O-N 3.27Å; N22-F24 VanDerWaalsContact C-N 3.34Å; F24-E26 PolarHBondContact O-N 3Å; F24-L27 PolarHBondContact O-N 3.03Å; F24-T28 HydrophobicContact CD1-CG2 3.94Å; F24-T28 WeakPolarHBondContact CD1-OG1 3.48Å; F24-T28 HydrophobicContact CD2-CG2 4.37Å; F24-T28 HydrophobicContact CE1-CG2 3.66Å; F24-T28 WeakPolarHBondContact CE1-OG1 3.25Å; F24-T28 HydrophobicContact CE2-CG2 4.1Å; F24-T28 HydrophobicContact CG-CG2 4.31Å; F24-T28 HydrophobicContact CZ-CG2 3.76Å; F24-T28 PolarHBondContact O-N 3.45Å; F24-T28 PolarHBondContact O-OG1 3.04Å; F24-Y38 HydrophobicContact CE1-CD2 4.18Å; F24-Y38 HydrophobicContact CE2-CD2 4.4Å; F24-Y38 HydrophobicContact CE2-CG 4Å; F24-Y38 HydrophobicContact CZ-CD1 4.42Å; F24-Y38 AromaticContact CZ-CD2 3.58Å; F24-Y38 HydrophobicContact CZ-CD2 3.58Å; F24-Y38 HydrophobicContact CZ-CE2 4.43Å; F24-Y38 AromaticContact CZ-CG 3.61Å; F24-Y38 HydrophobicContact CZ-CG 3.61Å; F24-L39 HydrophobicContact CB-CD1 4.24Å; F24-L46 HydrophobicContact CB-CD1 3.66Å; F24-L46 HydrophobicContact CD2-CD1 4.24Å; F24-L46 HydrophobicContact CG-CD1 4.45Å; F24-A49 HydrophobicContact CD2-CB 3.91Å; F24-A49 HydrophobicContact CE2-CB 3.83Å; F24-A49 WeakPolarHBondContact CE2-O 3.46Å; F24-V50 HydrophobicContact CD2-CG2 3.7Å; F24-V50 HydrophobicContact CE2-CG2 4.18Å; F24-V50 HydrophobicContact CG-CG2 4.36Å; F24-F53 HydrophobicContact CE1-CD2 4.33Å; F24-F53 HydrophobicContact CE1-CG 4.43Å; F24-F53 HydrophobicContact CE2-CB 4.13Å; F24-F53 HydrophobicContact CZ-CB 3.63Å; F24-F53 HydrophobicContact CZ-CD2 4Å; F24-F53 AromaticContact CZ-CG 3.89Å; F24-F53 HydrophobicContact CZ-CG 3.89Å
25	A	91.1	Very high	90.6	Very high	12 Å²	12	67.5 Å²	67.5	10%	0.099	34%	0.338	C	S	.	.	H	α-helix	trans	-55.1	-39.5	-177.9	0	0	0	0	0	112.5	C21 N22 K29 T30 D31	C21-A25 WeakPolarHBondContact O-CB 3.35Å; C21-A25 PolarHBondContact O-N 3.03Å; N22-A25 PolarHBondContact O-N 3.31Å; A25-K29 WeakPolarHBondContact O-CA 3.49Å; A25-K29 PolarHBondContact O-N 2.69Å; A25-T30 WeakPolarHBondContact CB-O 3.46Å; A25-T30 PolarHBondContact O-N 3.05Å; A25-D31 VanDerWaalsContact CB-C 3.5Å; A25-D31 WeakPolarHBondContact CB-O 3.17Å
26	E	93.3	Very high	90.3	Very high	136 Å²	136	61.2 Å²	61.2	64%	0.636	32%	0.318	S	S	*	.	H	α-helix	trans	-68.2	-42.9	177	-173	175.5	-174.9	0	0	113	N22 E23 F24 K29	N22-E26 PolarHBondContact O-N 3.1Å; E23-E26 PolarHBondContact O-N 2.81Å; F24-E26 PolarHBondContact O-N 3Å; E26-K29 PolarHBondContact O-NZ 2.87Å
27	L	92	Very high	89.9	Confident	106 Å²	106	63.6 Å²	63.6	56%	0.555	32%	0.324	S	S	*	.	H	α-helix	trans	-69.1	-38.1	179.4	-72.7	172.1	0	0	0	112.2	E23 F24 L46 V50	E23-L27 WeakPolarHBondContact O-CB 3.49Å; E23-L27 VanDerWaalsContact O-CG 3.29Å; E23-L27 WeakPolarHBondContact O-CG 3.4Å; E23-L27 PolarHBondContact O-N 3.3Å; F24-L27 PolarHBondContact O-N 3.03Å; L27-L46 HydrophobicContact CD1-CD2 4.18Å; L27-L46 HydrophobicContact CD1-CG 4.42Å; L27-V50 HydrophobicContact CB-CG1 4.42Å; L27-V50 HydrophobicContact CB-CG2 4.2Å; L27-V50 HydrophobicContact CD1-CG2 3.9Å
28	T	86.7	Confident	89.4	Confident	13 Å²	13	63.4 Å²	63.4	8%	0.08	32%	0.322	C	S	.	.	H	α-helix	trans	-94.2	-5.7	-175.8	58.4	0	0	0	0	113.8	F24 T30 V50 F53	F24-T28 HydrophobicContact CD1-CG2 3.94Å; F24-T28 WeakPolarHBondContact CD1-OG1 3.48Å; F24-T28 HydrophobicContact CD2-CG2 4.37Å; F24-T28 HydrophobicContact CE1-CG2 3.66Å; F24-T28 WeakPolarHBondContact CE1-OG1 3.25Å; F24-T28 HydrophobicContact CE2-CG2 4.1Å; F24-T28 HydrophobicContact CG-CG2 4.31Å; F24-T28 HydrophobicContact CZ-CG2 3.76Å; F24-T28 PolarHBondContact O-N 3.45Å; F24-T28 PolarHBondContact O-OG1 3.04Å; T28-T30 VanDerWaalsContact C-N 3.29Å; T28-T30 PolarHBondContact O-N 2.87Å; T28-T30 PolarHBondContact OG1-OG1 2.71Å; T28-V50 HydrophobicContact CG2-CG1 4.28Å; T28-V50 HydrophobicContact CG2-CG2 4.23Å; T28-F53 VanDerWaalsContact CB-CD1 3.5Å; T28-F53 HydrophobicContact CG2-CB 4.16Å; T28-F53 HydrophobicContact CG2-CD1 3.31Å; T28-F53 HydrophobicContact CG2-CE1 3.79Å; T28-F53 HydrophobicContact CG2-CG 3.78Å
29	K	88.9	Confident	89	Confident	173 Å²	173	56.8 Å²	56.8	75%	0.752	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	43	-172.4	-54.2	-58	176.2	-150.7	0	112.4	A25 E26	A25-K29 WeakPolarHBondContact O-CA 3.49Å; A25-K29 PolarHBondContact O-N 2.69Å; E26-K29 PolarHBondContact O-NZ 2.87Å
30	T	89.8	Confident	88.3	Confident	49 Å²	49	54 Å²	54	30%	0.301	28%	0.284	S	S	.	.	S	Bend	trans	-120	-165.4	175.5	64.1	0	0	0	0	111.2	A25 T28 F53	A25-T30 WeakPolarHBondContact CB-O 3.46Å; A25-T30 PolarHBondContact O-N 3.05Å; T28-T30 VanDerWaalsContact C-N 3.29Å; T28-T30 PolarHBondContact O-N 2.87Å; T28-T30 PolarHBondContact OG1-OG1 2.71Å; T30-F53 HydrophobicContact CG2-CE1 4.24Å; T30-F53 HydrophobicContact CG2-CE2 3.61Å; T30-F53 HydrophobicContact CG2-CZ 3.29Å
31	D	88.1	Confident	87.4	Confident	96 Å²	96	56.3 Å²	56.3	51%	0.513	30%	0.297	S	S	.	.			trans	-99.2	170.8	172.1	61	49.2	0	0	0	112.8	A25 A33 C34 G35	A25-D31 VanDerWaalsContact CB-C 3.5Å; A25-D31 WeakPolarHBondContact CB-O 3.17Å; D31-A33 VanDerWaalsContact C-N 3.28Å; D31-A33 PolarHBondContact O-N 2.67Å; D31-A33 WeakPolarHBondContact OD1-CB 3.28Å; D31-A33 PolarHBondContact OD1-N 3.38Å; D31-A33 VanDerWaalsContact OD1-N 3.08Å; D31-C34 WeakPolarHBondContact O-CB 3.28Å; D31-C34 PolarHBondContact O-N 3Å; D31-C34 WeakPolarHBondContact OD1-CB 3.49Å; D31-C34 PolarHBondContact OD1-N 3.28Å; D31-G35 PolarHBondContact O-N 2.98Å
32	S	86.2	Confident	86.8	Confident	58 Å²	58	57.1 Å²	57.1	41%	0.406	30%	0.302	S	S	.	.	H	α-helix	trans	-68.6	-24.3	-179.1	57.9	0	0	0	0	113.4	G35 H36	S32-G35 PolarHBondContact O-N 3.29Å; S32-H36 PolarHBondContact O-N 2.81Å
33	A	82.4	Confident	86.3	Confident	69 Å²	69	56.6 Å²	56.6	57%	0.57	31%	0.312	S	S	*	.	H	α-helix	trans	-70.2	-40.8	175.9	0	0	0	0	0	111	D31 H36 F37	D31-A33 VanDerWaalsContact C-N 3.28Å; D31-A33 PolarHBondContact O-N 2.67Å; D31-A33 WeakPolarHBondContact OD1-CB 3.28Å; D31-A33 PolarHBondContact OD1-N 3.38Å; D31-A33 VanDerWaalsContact OD1-N 3.08Å; A33-H36 PolarHBondContact O-N 2.93Å; A33-F37 PolarHBondContact O-N 3.44Å
34	C	79.4	Confident	86	Confident	30 Å²	30	54.5 Å²	54.5	20%	0.203	30%	0.301	C	S	.	.	H	α-helix	trans	-58.5	-48.2	169.4	-173.3	0	0	0	0	110.6	D31 H36 F37 Y38	D31-C34 WeakPolarHBondContact O-CB 3.28Å; D31-C34 PolarHBondContact O-N 3Å; D31-C34 WeakPolarHBondContact OD1-CB 3.49Å; D31-C34 PolarHBondContact OD1-N 3.28Å; C34-H36 VanDerWaalsContact C-N 3.33Å; C34-H36 PolarHBondContact O-N 3.25Å; C34-F37 WeakPolarHBondContact O-CB 3.06Å; C34-F37 PolarHBondContact O-N 3.46Å; C34-F37 VanDerWaalsContact O-N 3.1Å; C34-Y38 WeakPolarHBondContact O-CD2 3.17Å; C34-Y38 PolarHBondContact O-N 3.11Å
35	G	85.1	Confident	85.7	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-55.7	-45.3	176.6	0	0	0	0	0	113.4	D31 S32 F37 Y38 L39	D31-G35 PolarHBondContact O-N 2.98Å; S32-G35 PolarHBondContact O-N 3.29Å; G35-F37 VanDerWaalsContact C-N 3.3Å; G35-F37 PolarHBondContact O-N 3.44Å; G35-Y38 PolarHBondContact O-N 3.39Å; G35-L39 WeakPolarHBondContact O-CB 3.47Å; G35-L39 WeakPolarHBondContact O-CD1 3.45Å; G35-L39 VanDerWaalsContact O-CG 3.3Å; G35-L39 WeakPolarHBondContact O-CG 3.28Å; G35-L39 PolarHBondContact O-N 3.26Å
36	H	85.2	Confident	85.6	Confident	84 Å²	84	58.9 Å²	58.9	39%	0.389	32%	0.323	S	S	.	.	H	α-helix	trans	-59	-40.8	177.1	-169.5	-78.1	0	0	0	112.4	C21 S32 A33 C34 Q40 W44	C21-H36 VanDerWaalsContact SG-CA 3.54Å; S32-H36 PolarHBondContact O-N 2.81Å; A33-H36 PolarHBondContact O-N 2.93Å; C34-H36 VanDerWaalsContact C-N 3.33Å; C34-H36 PolarHBondContact O-N 3.25Å; H36-Q40 WeakPolarHBondContact O-CB 3.37Å; H36-Q40 VanDerWaalsContact O-CG 3.25Å; H36-Q40 WeakPolarHBondContact O-CG 3.13Å; H36-Q40 PolarHBondContact O-N 3.01Å; H36-Q40 VanDerWaalsContact O-N 3.14Å; H36-W44 AromaticContact CD2-CH2 3.8Å; H36-W44 AromaticContact NE2-CH2 3.97Å
37	F	83	Confident	85.3	Confident	89 Å²	89	56.4 Å²	56.4	39%	0.39	32%	0.321	S	S	.	.	H	α-helix	trans	-62.1	-44.5	178	175.4	-91.1	0	0	0	112.8	A33 C34 G35 Q40 N41	A33-F37 PolarHBondContact O-N 3.44Å; C34-F37 WeakPolarHBondContact O-CB 3.06Å; C34-F37 PolarHBondContact O-N 3.46Å; C34-F37 VanDerWaalsContact O-N 3.1Å; G35-F37 VanDerWaalsContact C-N 3.3Å; G35-F37 PolarHBondContact O-N 3.44Å; F37-Q40 WeakPolarHBondContact O-CG 3.19Å; F37-N41 PolarHBondContact O-ND2 2.97Å
38	Y	81.5	Confident	84.7	Confident	12 Å²	12	54.1 Å²	54.1	5%	0.047	31%	0.311	C	S	.	.	H	α-helix	trans	-75.9	-42.6	-178.5	-76.8	-90.4	0	0	0	112	F24 C34 G35 Q40 N41 C42 Y52 F53 K56	F24-Y38 HydrophobicContact CE1-CD2 4.18Å; F24-Y38 HydrophobicContact CE2-CD2 4.4Å; F24-Y38 HydrophobicContact CE2-CG 4Å; F24-Y38 HydrophobicContact CZ-CD1 4.42Å; F24-Y38 AromaticContact CZ-CD2 3.58Å; F24-Y38 HydrophobicContact CZ-CD2 3.58Å; F24-Y38 HydrophobicContact CZ-CE2 4.43Å; F24-Y38 AromaticContact CZ-CG 3.61Å; F24-Y38 HydrophobicContact CZ-CG 3.61Å; C34-Y38 WeakPolarHBondContact O-CD2 3.17Å; C34-Y38 PolarHBondContact O-N 3.11Å; G35-Y38 PolarHBondContact O-N 3.39Å; Y38-Q40 PolarHBondContact O-N 3.12Å; Y38-N41 PolarHBondContact O-N 3.5Å; Y38-C42 PolarHBondContact O-N 2.83Å; Y38-C42 VanDerWaalsContact O-N 3.09Å; Y38-C42 PolarHBondContact O-SG 2.91Å; Y38-Y52 AromaticContact CD1-CD1 3.48Å; Y38-Y52 HydrophobicContact CD1-CD1 3.48Å; Y38-Y52 VanDerWaalsContact CD1-CD1 3.48Å; Y38-Y52 AromaticContact CD1-CE1 3.99Å; Y38-Y52 HydrophobicContact CD1-CE1 3.99Å; Y38-Y52 HydrophobicContact CD1-CG 4.32Å; Y38-Y52 AromaticContact CE1-CD1 3.81Å; Y38-Y52 HydrophobicContact CE1-CD1 3.81Å; Y38-Y52 HydrophobicContact CE1-CE1 4.05Å; Y38-Y52 HydrophobicContact CE1-CG 4.5Å; Y38-F53 HydrophobicContact CD1-CB 4.19Å; Y38-F53 HydrophobicContact CD2-CD2 4.27Å; Y38-F53 HydrophobicContact CE1-CB 4.14Å; Y38-F53 HydrophobicContact CE1-CD2 4.45Å; Y38-F53 AromaticContact CE2-CD2 3.73Å; Y38-F53 HydrophobicContact CE2-CD2 3.73Å; Y38-F53 HydrophobicContact CE2-CE2 4.5Å; Y38-F53 AromaticContact CZ-CD2 3.85Å; Y38-K56 WeakPolarHBondContact OH-CD 3.43Å; Y38-K56 PolarHBondContact OH-NZ 3.4Å
39	L	84	Confident	84.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.5	-43.5	-178.7	-74	162.3	0	0	0	112.4	L20 C21 F24 G35 N41 C42 G43 W44 L46 A49	L20-L39 HydrophobicContact CB-CD1 3.71Å; L20-L39 HydrophobicContact CB-CD2 4.25Å; L20-L39 WeakPolarHBondContact O-CD1 3.42Å; C21-L39 HydrophobicContact CB-CD1 4.4Å; F24-L39 HydrophobicContact CB-CD1 4.24Å; G35-L39 WeakPolarHBondContact O-CB 3.47Å; G35-L39 WeakPolarHBondContact O-CD1 3.45Å; G35-L39 VanDerWaalsContact O-CG 3.3Å; G35-L39 WeakPolarHBondContact O-CG 3.28Å; G35-L39 PolarHBondContact O-N 3.26Å; L39-N41 PolarHBondContact O-N 3.06Å; L39-C42 CarbonylContact O-C 3.47Å; L39-C42 PolarHBondContact O-N 2.8Å; L39-C42 VanDerWaalsContact O-N 3.1Å; L39-G43 PolarHBondContact O-N 2.91Å; L39-W44 HydrophobicContact CB-CD2 4.15Å; L39-W44 HydrophobicContact CB-CE3 3.73Å; L39-W44 HydrophobicContact CB-CZ3 3.99Å; L39-W44 HydrophobicContact CD1-CE3 4.19Å; L39-W44 HydrophobicContact CD1-CZ3 4.07Å; L39-W44 HydrophobicContact CG-CE3 4.4Å; L39-W44 WeakPolarHBondContact O-CA 3.45Å; L39-W44 PolarHBondContact O-N 2.88Å; L39-L46 HydrophobicContact CD2-CB 4.35Å; L39-L46 HydrophobicContact CD2-CD1 4.22Å; L39-A49 HydrophobicContact CD2-CB 3.83Å; L39-A49 HydrophobicContact CG-CB 4.17Å
40	Q	82.8	Confident	84.2	Confident	54 Å²	54	46.1 Å²	46.1	25%	0.252	28%	0.277	S	S	.	.	H	α-helix	trans	-63.2	-26.4	179.4	73.1	-178.6	-13.8	0	0	113	H36 F37 Y38	H36-Q40 WeakPolarHBondContact O-CB 3.37Å; H36-Q40 VanDerWaalsContact O-CG 3.25Å; H36-Q40 WeakPolarHBondContact O-CG 3.13Å; H36-Q40 PolarHBondContact O-N 3.01Å; H36-Q40 VanDerWaalsContact O-N 3.14Å; F37-Q40 WeakPolarHBondContact O-CG 3.19Å; Y38-Q40 PolarHBondContact O-N 3.12Å
41	N	76.7	Confident	83.8	Confident	64 Å²	64	46 Å²	46	34%	0.342	28%	0.278	S	S	.	.	H	α-helix	trans	-87.9	-19.2	179.3	-72.4	-26.7	0	0	0	112.6	F37 Y38 L39	F37-N41 PolarHBondContact O-ND2 2.97Å; Y38-N41 PolarHBondContact O-N 3.5Å; L39-N41 PolarHBondContact O-N 3.06Å
42	C	82.5	Confident	83.3	Confident	24 Å²	24	43.3 Å²	43.3	16%	0.162	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	25.2	-179.1	-57.6	0	0	0	0	112.8	Y38 L39 W44 D45 V48 A49	Y38-C42 PolarHBondContact O-N 2.83Å; Y38-C42 VanDerWaalsContact O-N 3.09Å; Y38-C42 PolarHBondContact O-SG 2.91Å; L39-C42 CarbonylContact O-C 3.47Å; L39-C42 PolarHBondContact O-N 2.8Å; L39-C42 VanDerWaalsContact O-N 3.1Å; C42-W44 PolarHBondContact O-N 3.02Å; C42-D45 PolarHBondContact O-N 2.79Å; C42-D45 VanDerWaalsContact O-N 3.1Å; C42-V48 HydrophobicContact CB-CB 4.23Å; C42-V48 HydrophobicContact CB-CG1 3.88Å; C42-A49 HydrophobicContact CB-CB 4.03Å
43	G	84	Confident	83.1	Confident	53 Å²	53	41.4 Å²	41.4	55%	0.546	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	27.3	179.4	0	0	0	0	0	113.9	L39 D45	L39-G43 PolarHBondContact O-N 2.91Å; G43-D45 PolarHBondContact O-N 2.93Å
44	W	87.3	Confident	83.2	Confident	23 Å²	23	41.9 Å²	41.9	9%	0.087	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	20.1	-174	-66	89	0	0	0	115.4	P12 C17 L20 H36 L39 C42 L46	P12-W44 VanDerWaalsContact CD-CD1 3.45Å; P12-W44 VanDerWaalsContact CD-CG 3.4Å; P12-W44 HydrophobicContact CG-CB 3.65Å; P12-W44 HydrophobicContact CG-CD2 4.33Å; P12-W44 HydrophobicContact CG-CG 3.86Å; C17-W44 HydrophobicContact CB-CE3 4.17Å; C17-W44 HydrophobicContact CB-CH2 3.36Å; C17-W44 HydrophobicContact CB-CZ2 4.05Å; C17-W44 HydrophobicContact CB-CZ3 3.44Å; C17-W44 VanDerWaalsContact CB-CZ3 3.44Å; C17-W44 WeakPolarHBondContact O-CZ3 3.44Å; C17-W44 WeakPolarHBondContact SG-CH2 3.43Å; C17-W44 VanDerWaalsContact SG-CZ2 3.5Å; L20-W44 HydrophobicContact CB-CE3 4.33Å; L20-W44 HydrophobicContact CD1-CB 4.3Å; L20-W44 HydrophobicContact CD1-CE3 3.92Å; H36-W44 AromaticContact CD2-CH2 3.8Å; H36-W44 AromaticContact NE2-CH2 3.97Å; L39-W44 HydrophobicContact CB-CD2 4.15Å; L39-W44 HydrophobicContact CB-CE3 3.73Å; L39-W44 HydrophobicContact CB-CZ3 3.99Å; L39-W44 HydrophobicContact CD1-CE3 4.19Å; L39-W44 HydrophobicContact CD1-CZ3 4.07Å; L39-W44 HydrophobicContact CG-CE3 4.4Å; L39-W44 WeakPolarHBondContact O-CA 3.45Å; L39-W44 PolarHBondContact O-N 2.88Å; C42-W44 PolarHBondContact O-N 3.02Å; W44-L46 PolarHBondContact O-N 2.88Å
45	D	89.4	Confident	82.8	Confident	73 Å²	73	41.3 Å²	41.3	39%	0.39	23%	0.233	S	C	.	.			trans	-81.3	112.2	167.8	-170.6	-48.7	0	0	0	110.2	C42 G43 S47 V48 A49	C42-D45 PolarHBondContact O-N 2.79Å; C42-D45 VanDerWaalsContact O-N 3.1Å; G43-D45 PolarHBondContact O-N 2.93Å; D45-S47 VanDerWaalsContact C-N 3.35Å; D45-S47 PolarHBondContact O-N 3.08Å; D45-S47 WeakPolarHBondContact OD1-CA 3.5Å; D45-S47 WeakPolarHBondContact OD1-CB 3.39Å; D45-S47 PolarHBondContact OD1-N 3.05Å; D45-S47 PolarHBondContact OD1-OG 2.82Å; D45-V48 HydrophobicContact CB-CB 4.02Å; D45-V48 HydrophobicContact CB-CG2 3.92Å; D45-V48 PolarHBondContact OD1-N 3.03Å; D45-A49 VanDerWaalsContact O-CB 3.29Å; D45-A49 WeakPolarHBondContact O-CB 3.45Å; D45-A49 PolarHBondContact O-N 3.19Å
46	L	88.6	Confident	82	Confident	30 Å²	30	45.5 Å²	45.5	16%	0.157	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-40.1	-178.8	-179.8	63.9	0	0	0	112.7	L20 E23 F24 L27 L39 W44 A49 V50	L20-L46 HydrophobicContact CD2-CB 4.09Å; L20-L46 HydrophobicContact CD2-CD2 4.46Å; E23-L46 HydrophobicContact CB-CD1 4.45Å; E23-L46 HydrophobicContact CB-CD2 3.79Å; E23-L46 VanDerWaalsContact OE2-CD2 3.31Å; E23-L46 WeakPolarHBondContact OE2-CD2 3.46Å; F24-L46 HydrophobicContact CB-CD1 3.66Å; F24-L46 HydrophobicContact CD2-CD1 4.24Å; F24-L46 HydrophobicContact CG-CD1 4.45Å; L27-L46 HydrophobicContact CD1-CD2 4.18Å; L27-L46 HydrophobicContact CD1-CG 4.42Å; L39-L46 HydrophobicContact CD2-CB 4.35Å; L39-L46 HydrophobicContact CD2-CD1 4.22Å; W44-L46 PolarHBondContact O-N 2.88Å; L46-A49 PolarHBondContact O-N 3.29Å; L46-V50 HydrophobicContact CD1-CG2 3.84Å; L46-V50 HydrophobicContact CG-CG2 4.24Å; L46-V50 WeakPolarHBondContact O-CB 3.46Å; L46-V50 VanDerWaalsContact O-CG2 3.26Å; L46-V50 WeakPolarHBondContact O-CG2 3.2Å; L46-V50 PolarHBondContact O-N 2.96Å
47	S	86.8	Confident	81.3	Confident	84 Å²	84	44.5 Å²	44.5	59%	0.587	25%	0.249	S	C	*	.	H	α-helix	trans	-66.8	-43.5	-176.9	71.7	0	0	0	0	111	D45 S51	D45-S47 VanDerWaalsContact C-N 3.35Å; D45-S47 PolarHBondContact O-N 3.08Å; D45-S47 WeakPolarHBondContact OD1-CA 3.5Å; D45-S47 WeakPolarHBondContact OD1-CB 3.39Å; D45-S47 PolarHBondContact OD1-N 3.05Å; D45-S47 PolarHBondContact OD1-OG 2.82Å; S47-S51 WeakPolarHBondContact O-CB 3.31Å; S47-S51 PolarHBondContact O-N 3.29Å
48	V	81.5	Confident	80.3	Confident	58 Å²	58	44.8 Å²	44.8	35%	0.352	25%	0.25	S	C	.	.	H	α-helix	trans	-64.8	-45.5	175.8	178.7	0	0	0	0	110.1	C42 D45 S51 Y52	C42-V48 HydrophobicContact CB-CB 4.23Å; C42-V48 HydrophobicContact CB-CG1 3.88Å; D45-V48 HydrophobicContact CB-CB 4.02Å; D45-V48 HydrophobicContact CB-CG2 3.92Å; D45-V48 PolarHBondContact OD1-N 3.03Å; V48-S51 PolarHBondContact O-N 3.41Å; V48-Y52 WeakPolarHBondContact O-CB 3.4Å; V48-Y52 PolarHBondContact O-N 3.43Å
49	A	80.4	Confident	78.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-47.5	179.2	0	0	0	0	0	112.3	F24 L39 C42 D45 L46 Y52 F53	F24-A49 HydrophobicContact CD2-CB 3.91Å; F24-A49 HydrophobicContact CE2-CB 3.83Å; F24-A49 WeakPolarHBondContact CE2-O 3.46Å; L39-A49 HydrophobicContact CD2-CB 3.83Å; L39-A49 HydrophobicContact CG-CB 4.17Å; C42-A49 HydrophobicContact CB-CB 4.03Å; D45-A49 VanDerWaalsContact O-CB 3.29Å; D45-A49 WeakPolarHBondContact O-CB 3.45Å; D45-A49 PolarHBondContact O-N 3.19Å; L46-A49 PolarHBondContact O-N 3.29Å; A49-Y52 WeakPolarHBondContact O-CB 3.24Å; A49-Y52 PolarHBondContact O-N 3.09Å; A49-F53 PolarHBondContact O-N 3.35Å
50	V	83.7	Confident	77.3	Confident	19 Å²	19	55.9 Å²	55.9	12%	0.115	32%	0.316	C	S	.	.	H	α-helix	trans	-65.3	-44.2	-179.7	170.2	0	0	0	0	110.9	F24 L27 T28 L46 Y52 F53 L54	F24-V50 HydrophobicContact CD2-CG2 3.7Å; F24-V50 HydrophobicContact CE2-CG2 4.18Å; F24-V50 HydrophobicContact CG-CG2 4.36Å; L27-V50 HydrophobicContact CB-CG1 4.42Å; L27-V50 HydrophobicContact CB-CG2 4.2Å; L27-V50 HydrophobicContact CD1-CG2 3.9Å; T28-V50 HydrophobicContact CG2-CG1 4.28Å; T28-V50 HydrophobicContact CG2-CG2 4.23Å; L46-V50 HydrophobicContact CD1-CG2 3.84Å; L46-V50 HydrophobicContact CG-CG2 4.24Å; L46-V50 WeakPolarHBondContact O-CB 3.46Å; L46-V50 VanDerWaalsContact O-CG2 3.26Å; L46-V50 WeakPolarHBondContact O-CG2 3.2Å; L46-V50 PolarHBondContact O-N 2.96Å; V50-Y52 VanDerWaalsContact C-N 3.28Å; V50-Y52 PolarHBondContact O-N 3.16Å; V50-F53 PolarHBondContact O-N 2.93Å; V50-L54 HydrophobicContact CG1-CD1 3.92Å; V50-L54 HydrophobicContact CG1-CG 4.34Å; V50-L54 WeakPolarHBondContact O-CG 3.46Å; V50-L54 PolarHBondContact O-N 2.87Å
51	S	80.5	Confident	75.3	Confident	47 Å²	47	57.6 Å²	57.6	33%	0.329	34%	0.335	S	S	.	.	H	α-helix	trans	-57.8	-45.4	174.5	-166.1	0	0	0	0	110.8	S47 V48 F53 L54 D55	S47-S51 WeakPolarHBondContact O-CB 3.31Å; S47-S51 PolarHBondContact O-N 3.29Å; V48-S51 PolarHBondContact O-N 3.41Å; S51-F53 VanDerWaalsContact C-N 3.31Å; S51-F53 PolarHBondContact O-N 2.65Å; S51-L54 PolarHBondContact O-N 3.35Å; S51-D55 WeakPolarHBondContact O-CB 3.41Å; S51-D55 PolarHBondContact O-N 3.03Å; S51-D55 VanDerWaalsContact O-N 3.08Å
52	Y	77.5	Confident	73.8	Confident	38 Å²	38	60.1 Å²	60.1	15%	0.149	35%	0.352	C	S	.	.	H	α-helix	trans	-62	-35.7	179.3	-174.9	-134.4	0	0	0	113.1	Y38 V48 A49 V50 K56 R119	Y38-Y52 AromaticContact CD1-CD1 3.48Å; Y38-Y52 HydrophobicContact CD1-CD1 3.48Å; Y38-Y52 VanDerWaalsContact CD1-CD1 3.48Å; Y38-Y52 AromaticContact CD1-CE1 3.99Å; Y38-Y52 HydrophobicContact CD1-CE1 3.99Å; Y38-Y52 HydrophobicContact CD1-CG 4.32Å; Y38-Y52 AromaticContact CE1-CD1 3.81Å; Y38-Y52 HydrophobicContact CE1-CD1 3.81Å; Y38-Y52 HydrophobicContact CE1-CE1 4.05Å; Y38-Y52 HydrophobicContact CE1-CG 4.5Å; V48-Y52 WeakPolarHBondContact O-CB 3.4Å; V48-Y52 PolarHBondContact O-N 3.43Å; A49-Y52 WeakPolarHBondContact O-CB 3.24Å; A49-Y52 PolarHBondContact O-N 3.09Å; V50-Y52 VanDerWaalsContact C-N 3.28Å; V50-Y52 PolarHBondContact O-N 3.16Å; Y52-K56 PolarHBondContact O-N 2.96Å; Y52-R119 PolarHBondContact OH-NH1 2.74Å; Y52-R119 VanDerWaalsContact OH-NH1 3.07Å; Y52-R119 PolarHBondContact OH-NH2 3.06Å
53	F	83.3	Confident	71.6	Confident	19 Å²	19	65.5 Å²	65.5	8%	0.083	38%	0.379	C	S	.	.	H	α-helix	trans	-70.6	-48.8	174.7	172.2	-90	0	0	0	113.1	F24 T28 T30 Y38 A49 V50 S51 D55 K56 N57	F24-F53 HydrophobicContact CE1-CD2 4.33Å; F24-F53 HydrophobicContact CE1-CG 4.43Å; F24-F53 HydrophobicContact CE2-CB 4.13Å; F24-F53 HydrophobicContact CZ-CB 3.63Å; F24-F53 HydrophobicContact CZ-CD2 4Å; F24-F53 AromaticContact CZ-CG 3.89Å; F24-F53 HydrophobicContact CZ-CG 3.89Å; T28-F53 VanDerWaalsContact CB-CD1 3.5Å; T28-F53 HydrophobicContact CG2-CB 4.16Å; T28-F53 HydrophobicContact CG2-CD1 3.31Å; T28-F53 HydrophobicContact CG2-CE1 3.79Å; T28-F53 HydrophobicContact CG2-CG 3.78Å; T30-F53 HydrophobicContact CG2-CE1 4.24Å; T30-F53 HydrophobicContact CG2-CE2 3.61Å; T30-F53 HydrophobicContact CG2-CZ 3.29Å; Y38-F53 HydrophobicContact CD1-CB 4.19Å; Y38-F53 HydrophobicContact CD2-CD2 4.27Å; Y38-F53 HydrophobicContact CE1-CB 4.14Å; Y38-F53 HydrophobicContact CE1-CD2 4.45Å; Y38-F53 AromaticContact CE2-CD2 3.73Å; Y38-F53 HydrophobicContact CE2-CD2 3.73Å; Y38-F53 HydrophobicContact CE2-CE2 4.5Å; Y38-F53 AromaticContact CZ-CD2 3.85Å; A49-F53 PolarHBondContact O-N 3.35Å; V50-F53 PolarHBondContact O-N 2.93Å; S51-F53 VanDerWaalsContact C-N 3.31Å; S51-F53 PolarHBondContact O-N 2.65Å; F53-D55 VanDerWaalsContact C-N 3.28Å; F53-D55 PolarHBondContact O-N 3.47Å; F53-K56 PolarHBondContact O-N 3.08Å; F53-N57 WeakPolarHBondContact CE1-ND2 3.3Å; F53-N57 VanDerWaalsContact CE2-ND2 3.29Å; F53-N57 WeakPolarHBondContact CE2-ND2 3.26Å; F53-N57 WeakPolarHBondContact CZ-ND2 3.22Å; F53-N57 PolarHBondContact O-N 3.15Å; F53-N57 PolarHBondContact O-ND2 2.09Å
54	L	83.7	Confident	69.5	Low	78 Å²	78	71.1 Å²	71.1	41%	0.408	40%	0.397	S	S	.	.	H	α-helix	trans	-63.1	-38.4	-176.5	-69.2	175	0	0	0	111.4	V50 S51 N57 K58	V50-L54 HydrophobicContact CG1-CD1 3.92Å; V50-L54 HydrophobicContact CG1-CG 4.34Å; V50-L54 WeakPolarHBondContact O-CG 3.46Å; V50-L54 PolarHBondContact O-N 2.87Å; S51-L54 PolarHBondContact O-N 3.35Å; L54-N57 PolarHBondContact O-N 3.37Å; L54-K58 WeakPolarHBondContact O-CG 3.25Å; L54-K58 PolarHBondContact O-N 3.02Å
55	D	71.1	Confident	67	Low	19 Å²	19	74 Å²	74	10%	0.102	42%	0.42	C	S	.	.	H	α-helix	trans	-67.6	-39.8	178.2	-69.4	-12.3	0	0	0	112	S51 F53 N57 K58 A59 G116 Y117	S51-D55 WeakPolarHBondContact O-CB 3.41Å; S51-D55 PolarHBondContact O-N 3.03Å; S51-D55 VanDerWaalsContact O-N 3.08Å; F53-D55 VanDerWaalsContact C-N 3.28Å; F53-D55 PolarHBondContact O-N 3.47Å; D55-N57 VanDerWaalsContact C-N 3.31Å; D55-N57 PolarHBondContact O-N 3.04Å; D55-K58 PolarHBondContact O-N 3.22Å; D55-A59 PolarHBondContact O-N 3.21Å; D55-G116 VanDerWaalsContact CG-CA 3.43Å; D55-G116 WeakPolarHBondContact OD2-CA 3.38Å; D55-Y117 WeakPolarHBondContact OD2-CD2 3.3Å; D55-Y117 PolarHBondContact OD2-N 3.44Å
56	K	69.6	Low	64.5	Low	87 Å²	87	76.1 Å²	76.1	38%	0.378	44%	0.438	S	S	.	.	H	α-helix	trans	-59.7	-41.4	175.9	-168.7	-169.5	-179.1	-175.7	0	112	Y38 Y52 F53	Y38-K56 WeakPolarHBondContact OH-CD 3.43Å; Y38-K56 PolarHBondContact OH-NZ 3.4Å; Y52-K56 PolarHBondContact O-N 2.96Å; F53-K56 PolarHBondContact O-N 3.08Å
57	N	69.4	Low	62.3	Low	64 Å²	64	80.5 Å²	80.5	34%	0.342	47%	0.468	S	S	.	.	H	α-helix	trans	-78.4	-28.7	-179.1	-69.4	-35.6	0	0	0	113	F53 L54 D55 Q60	F53-N57 WeakPolarHBondContact CE1-ND2 3.3Å; F53-N57 VanDerWaalsContact CE2-ND2 3.29Å; F53-N57 WeakPolarHBondContact CE2-ND2 3.26Å; F53-N57 WeakPolarHBondContact CZ-ND2 3.22Å; F53-N57 PolarHBondContact O-N 3.15Å; F53-N57 PolarHBondContact O-ND2 2.09Å; L54-N57 PolarHBondContact O-N 3.37Å; D55-N57 VanDerWaalsContact C-N 3.31Å; D55-N57 PolarHBondContact O-N 3.04Å; N57-Q60 PolarHBondContact O-N 3.39Å
58	K	61.6	Low	60.4	Low	95 Å²	95	81.1 Å²	81.1	41%	0.413	48%	0.478	S	S	.	.	H	α-helix	trans	-68.6	-38	171.6	-79.9	-179.6	178.5	177.2	0	112.5	L54 D55 Q60 S61 V62	L54-K58 WeakPolarHBondContact O-CG 3.25Å; L54-K58 PolarHBondContact O-N 3.02Å; D55-K58 PolarHBondContact O-N 3.22Å; K58-Q60 PolarHBondContact O-N 3.15Å; K58-Q60 VanDerWaalsContact O-N 3.11Å; K58-S61 PolarHBondContact O-N 3.45Å; K58-S61 PolarHBondContact O-OG 3.35Å; K58-V62 WeakPolarHBondContact O-CG2 3.27Å
59	A	53.5	Low	59.2	Low	86 Å²	86	83.7 Å²	83.7	71%	0.711	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.7	176.6	0	0	0	0	0	113.2	D55	D55-A59 PolarHBondContact O-N 3.21Å
60	Q	49.2	Very low	58.1	Low	158 Å²	158	85.5 Å²	85.5	74%	0.738	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-7.1	174.6	-69.5	-175.9	-23.9	0	0	114.1	N57 K58	N57-Q60 PolarHBondContact O-N 3.39Å; K58-Q60 PolarHBondContact O-N 3.15Å; K58-Q60 VanDerWaalsContact O-N 3.11Å
61	S	41.7	Very low	57.2	Low	91 Å²	91	88.7 Å²	88.7	64%	0.636	53%	0.53	S	S	*	.	S	Bend	trans	-127.5	20.7	-169.6	74.9	0	0	0	0	115.5	K58	K58-S61 PolarHBondContact O-N 3.45Å; K58-S61 PolarHBondContact O-OG 3.35Å
62	V	44.8	Very low	57.2	Low	116 Å²	116	90 Å²	90	70%	0.703	53%	0.529	S	S	*	.			trans	-115.1	116.4	-179.5	-175.7	0	0	0	0	112	K58	K58-V62 WeakPolarHBondContact O-CG2 3.27Å
63	D	35.5	Very low	57.6	Low	137 Å²	137	89 Å²	89	73%	0.733	53%	0.526	S	S	*	.			trans	-6.4	134	158.6	-148.4	6.4	0	0	0	119.1	S65	D63-S65 PolarHBondContact O-N 2.73Å
64	D	39.9	Very low	58.1	Low	172 Å²	172	88.1 Å²	88.1	92%	0.92	52%	0.522	S	S	*	.	S	Bend	trans	-70.6	31.1	-172.3	-109.5	-17.1	0	0	0	115.2
65	S	34.8	Very low	58.6	Low	82 Å²	82	84.4 Å²	84.4	57%	0.573	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-86.9	129.4	173.4	29.9	0	0	0	0	110.3	D63	D63-S65 PolarHBondContact O-N 2.73Å
66	P	37	Very low	59.9	Low	118 Å²	118	83.5 Å²	83.5	77%	0.766	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-61.7	129.4	-177.5	23.3	-30.9	0	0	0	109.1	A68	P66-A68 PolarHBondContact O-N 2.76Å
67	P	43.6	Very low	61.2	Low	122 Å²	122	79.3 Å²	79.3	79%	0.792	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-59.7	138.3	179.5	23	-30.4	0	0	0	108.9
68	A	45.8	Very low	62.6	Low	97 Å²	97	76.3 Å²	76.3	80%	0.802	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-46.1	142.6	175.7	0	0	0	0	0	110.5	P66 G70	P66-A68 PolarHBondContact O-N 2.76Å; A68-G70 PolarHBondContact O-N 3.02Å
69	D	56.2	Low	64.4	Low	113 Å²	113	71.8 Å²	71.8	60%	0.604	44%	0.444	S	S	*	.			trans	-68.9	62.1	-172	-158.5	23.8	0	0	0	112.1	K197	D69-K197 IonicContact OD1-NZ 2.71Å; D69-K197 PolarHBondContact OD1-NZ 3.36Å; D69-K197 IonicContact OD2-NZ 2.69Å; D69-K197 PolarHBondContact OD2-NZ 3Å
70	G	56.7	Low	66.6	Low	37 Å²	37	67.7 Å²	67.7	38%	0.381	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-71.8	165.9	174.4	0	0	0	0	0	111.3	A68 K72	A68-G70 PolarHBondContact O-N 3.02Å; G70-K72 PolarHBondContact O-N 3.07Å
71	P	64.9	Low	68.9	Low	86 Å²	86	60.4 Å²	60.4	56%	0.558	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-56.6	117.1	176.7	23.2	-31.7	0	0	0	109.6	F107	P71-F107 HydrophobicContact CG-CZ 4.38Å
72	K	81.3	Confident	71.6	Confident	74 Å²	74	56.2 Å²	56.2	32%	0.322	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-85.6	145.1	177.9	-58.5	-170.5	-179.1	-174.2	0	109.4	G70 F195 L362	G70-K72 PolarHBondContact O-N 3.07Å; K72-F195 HydrophobicContact CB-CD1 4.28Å; K72-F195 HydrophobicContact CB-CD2 4.2Å; K72-F195 HydrophobicContact CB-CE1 4.4Å; K72-F195 HydrophobicContact CB-CE2 4.36Å; K72-F195 HydrophobicContact CB-CG 4.16Å; K72-F195 HydrophobicContact CB-CZ 4.46Å; K72-F195 HydrophobicContact CD-CB 3.47Å; K72-F195 VanDerWaalsContact CD-CB 3.47Å; K72-F195 HydrophobicContact CD-CD1 3.56Å; K72-F195 HydrophobicContact CD-CD2 4.37Å; K72-F195 HydrophobicContact CD-CE1 4.36Å; K72-F195 HydrophobicContact CD-CG 3.55Å; K72-F195 HydrophobicContact CG-CD1 4.44Å; K72-F195 HydrophobicContact CG-CG 4.48Å; K72-L362 HydrophobicContact CB-CB 4.45Å; K72-L362 HydrophobicContact CB-CD2 4.17Å; K72-L362 VanDerWaalsContact O-CB 3.24Å; K72-L362 WeakPolarHBondContact O-CB 3.43Å; K72-L362 PolarHBondContact O-N 3.43Å
73	Q	86.7	Confident	74.2	Confident	18 Å²	18	51 Å²	51	8%	0.084	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.8	177	-162.8	176.5	32.7	0	0	109.9	F195 C359 F360	Q73-F195 WeakPolarHBondContact O-CZ 3.26Å; Q73-C359 HydrophobicContact CG-CB 4.34Å; Q73-C359 VanDerWaalsContact NE2-CB 3.32Å; Q73-F360 WeakPolarHBondContact CA-O 3.28Å; Q73-F360 WeakPolarHBondContact CG-O 3.42Å
74	F	92.7	Very high	77.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	139.5	167.7	166.2	-124.2	0	0	0	109	L76 T123 A124 L194 F195 L202 L238 L330 C359 F360	F74-L76 HydrophobicContact CE1-CB 4.37Å; F74-L76 HydrophobicContact CZ-CB 3.88Å; F74-T123 HydrophobicContact CD2-CG2 3.69Å; F74-T123 HydrophobicContact CE2-CG2 4.06Å; F74-A124 HydrophobicContact CE2-CB 4.23Å; F74-L194 HydrophobicContact CB-CD1 4.09Å; F74-L194 HydrophobicContact CD1-CD1 3.94Å; F74-L194 HydrophobicContact CD2-CD1 3.47Å; F74-L194 VanDerWaalsContact CD2-CD1 3.47Å; F74-L194 HydrophobicContact CD2-CD2 4.02Å; F74-L194 HydrophobicContact CD2-CG 4.39Å; F74-L194 HydrophobicContact CE1-CD1 4.24Å; F74-L194 HydrophobicContact CE2-CD1 3.83Å; F74-L194 HydrophobicContact CE2-CD2 4.04Å; F74-L194 HydrophobicContact CG-CD1 3.56Å; F74-L194 HydrophobicContact CZ-CD1 4.19Å; F74-F195 HydrophobicContact CB-CE2 4.18Å; F74-L202 HydrophobicContact CZ-CD2 4.31Å; F74-L238 HydrophobicContact CE1-CD1 4.11Å; F74-L238 HydrophobicContact CE1-CD2 3.77Å; F74-L238 HydrophobicContact CZ-CD2 4.32Å; F74-L330 HydrophobicContact CB-CD2 3.93Å; F74-L330 HydrophobicContact CD1-CD1 3.86Å; F74-L330 HydrophobicContact CD1-CD2 4.15Å; F74-L330 HydrophobicContact CE1-CD1 4.29Å; F74-L330 HydrophobicContact CG-CD2 4.43Å; F74-C359 CarbonylContact O-C 3.54Å; F74-C359 WeakPolarHBondContact O-CA 3.45Å; F74-F360 HydrophobicContact CB-CB 4.28Å; F74-F360 HydrophobicContact CD1-CB 4.1Å; F74-F360 AromaticContact CD1-CD2 3.27Å; F74-F360 HydrophobicContact CD1-CD2 3.27Å; F74-F360 AromaticContact CD1-CE2 3.73Å; F74-F360 HydrophobicContact CD1-CE2 3.73Å; F74-F360 AromaticContact CD1-CG 3.78Å; F74-F360 HydrophobicContact CD1-CG 3.78Å; F74-F360 AromaticContact CE1-CD2 3.68Å; F74-F360 HydrophobicContact CE1-CD2 3.68Å; F74-F360 AromaticContact CE1-CE2 3.6Å; F74-F360 HydrophobicContact CE1-CE2 3.6Å; F74-F360 HydrophobicContact CE1-CG 4.4Å; F74-F360 HydrophobicContact CE1-CZ 4.25Å; F74-F360 HydrophobicContact CG-CD2 4.12Å; F74-F360 PolarHBondContact N-O 3.24Å; F74-F360 WeakPolarHBondContact O-CD2 2.9Å; F74-F360 PolarHBondContact O-N 3.06Å
75	S	94.9	Very high	79.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.3	172.5	54.5	0	0	0	0	111.9	P122 T123 A124 C358	S75-P122 VanDerWaalsContact OG-CA 3.29Å; S75-P122 WeakPolarHBondContact OG-CA 3.02Å; S75-T123 PolarHBondContact N-OG1 3.18Å; S75-T123 VanDerWaalsContact N-OG1 3.14Å; S75-T123 WeakPolarHBondContact O-CA 3.49Å; S75-T123 VanDerWaalsContact O-CB 3.3Å; S75-T123 WeakPolarHBondContact O-CB 3.44Å; S75-T123 PolarHBondContact O-N 3.29Å; S75-T123 PolarHBondContact OG-N 3.02Å; S75-T123 VanDerWaalsContact OG-N 3.1Å; S75-A124 PolarHBondContact O-N 3.5Å; S75-C358 CarbonylContact C-O 3.51Å; S75-C358 VanDerWaalsContact CA-O 3.26Å; S75-C358 WeakPolarHBondContact CA-O 3.29Å
76	L	97.4	Very high	82.6	Confident	0 Å²	0	42 Å²	42	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115.9	177.4	175.6	59.7	0	0	0	109.1	F74 A124 F126 L238 I320 C358 F360	F74-L76 HydrophobicContact CE1-CB 4.37Å; F74-L76 HydrophobicContact CZ-CB 3.88Å; L76-A124 WeakPolarHBondContact CA-O 3.27Å; L76-A124 HydrophobicContact CD1-CB 3.77Å; L76-F126 HydrophobicContact CD1-CD1 3.81Å; L76-F126 HydrophobicContact CD1-CD2 4.1Å; L76-F126 HydrophobicContact CD1-CE1 3.77Å; L76-F126 HydrophobicContact CD1-CE2 4.07Å; L76-F126 HydrophobicContact CD1-CG 3.96Å; L76-F126 HydrophobicContact CD1-CZ 3.9Å; L76-F126 HydrophobicContact CD2-CD2 4.42Å; L76-F126 HydrophobicContact CD2-CE2 3.96Å; L76-F126 HydrophobicContact CD2-CZ 4.19Å; L76-L238 HydrophobicContact CD2-CB 4.13Å; L76-L238 HydrophobicContact CD2-CD2 3.76Å; L76-I320 HydrophobicContact CD2-CD1 3.88Å; L76-I320 HydrophobicContact CD2-CG1 4.34Å; L76-I320 HydrophobicContact CD2-CG2 4.08Å; L76-I320 HydrophobicContact CG-CD1 4.07Å; L76-C358 PolarHBondContact N-O 2.88Å; L76-C358 PolarHBondContact O-N 3.4Å; L76-F360 HydrophobicContact CB-CE2 4.36Å
77	L	98.3	Very high	85.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	136.1	166.6	175.3	64.6	0	0	0	109	I100 L103 P122 A124 V125 F126 V338 I356 L357	L77-I100 HydrophobicContact CD2-CD1 4.35Å; L77-I100 HydrophobicContact CD2-CG1 3.58Å; L77-L103 HydrophobicContact CD1-CD1 4.32Å; L77-L103 HydrophobicContact CD2-CD1 4.02Å; L77-P122 HydrophobicContact CB-CB 3.93Å; L77-P122 HydrophobicContact CB-CG 4.1Å; L77-P122 HydrophobicContact CD2-CG 4.34Å; L77-A124 PolarHBondContact N-O 3.12Å; L77-V125 HydrophobicContact CB-CG1 4.44Å; L77-V125 HydrophobicContact CB-CG2 4.28Å; L77-V125 HydrophobicContact CD2-CG1 3.95Å; L77-V125 HydrophobicContact CD2-CG2 4.29Å; L77-V125 HydrophobicContact CG-CG1 4.31Å; L77-V125 CarbonylContact O-C 3.55Å; L77-V125 WeakPolarHBondContact O-CA 3.44Å; L77-F126 PolarHBondContact O-N 3.14Å; L77-V338 HydrophobicContact CD1-CG2 3.51Å; L77-I356 CarbonylContact C-O 3.49Å; L77-I356 VanDerWaalsContact CA-O 3.3Å; L77-I356 WeakPolarHBondContact CA-O 3.33Å; L77-I356 WeakPolarHBondContact CD1-O 3.39Å; L77-L357 HydrophobicContact CB-CD1 4.02Å
78	S	98.9	Very high	87.8	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.9	164.9	-179.4	0	0	0	0	110.7	F126 Q128 G241 G355 I356	S78-F126 CarbonylContact C-O 3.6Å; S78-F126 VanDerWaalsContact CA-O 3.25Å; S78-F126 WeakPolarHBondContact CA-O 3.48Å; S78-Q128 PolarHBondContact OG-NE2 2.89Å; S78-G241 VanDerWaalsContact OG-CA 3.26Å; S78-G241 WeakPolarHBondContact OG-CA 3.38Å; S78-G355 CarbonylContact O-C 3.5Å; S78-G355 VanDerWaalsContact O-CA 3.3Å; S78-G355 WeakPolarHBondContact O-CA 3.08Å; S78-I356 PolarHBondContact N-O 3.07Å; S78-I356 WeakPolarHBondContact O-CG1 3.43Å; S78-I356 PolarHBondContact O-N 2.96Å
79	W	98.9	Very high	90.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	118.5	-176.2	-157.9	-3.3	0	0	0	112.2	I81 V96 I99 F126 L127 Q128 V338 P350 H353 G355	W79-I81 HydrophobicContact CB-CG2 4.25Å; W79-I81 HydrophobicContact CD2-CG2 4.3Å; W79-I81 HydrophobicContact CG-CG2 4.12Å; W79-I81 PolarHBondContact O-N 3.43Å; W79-V96 HydrophobicContact CE3-CG1 3.97Å; W79-V96 HydrophobicContact CE3-CG2 4.25Å; W79-V96 HydrophobicContact CH2-CG2 3.9Å; W79-V96 HydrophobicContact CZ2-CG2 4.35Å; W79-V96 HydrophobicContact CZ3-CB 4.12Å; W79-V96 HydrophobicContact CZ3-CG1 3.97Å; W79-V96 HydrophobicContact CZ3-CG2 3.85Å; W79-I99 HydrophobicContact CH2-CD1 3.7Å; W79-I99 HydrophobicContact CH2-CG2 4.5Å; W79-I99 HydrophobicContact CZ3-CB 4.25Å; W79-I99 HydrophobicContact CZ3-CD1 4.16Å; W79-I99 HydrophobicContact CZ3-CG2 4.03Å; W79-F126 PolarHBondContact N-O 3.45Å; W79-L127 HydrophobicContact CB-CD2 4.15Å; W79-L127 VanDerWaalsContact O-CA 3.29Å; W79-L127 WeakPolarHBondContact O-CA 3.19Å; W79-Q128 PolarHBondContact O-N 3.28Å; W79-Q128 VanDerWaalsContact O-N 3.08Å; W79-Q128 PolarHBondContact O-OE1 2.95Å; W79-V338 HydrophobicContact CE3-CG2 4.47Å; W79-P350 HydrophobicContact CH2-CB 3.73Å; W79-P350 HydrophobicContact CH2-CG 4Å; W79-P350 HydrophobicContact CZ2-CB 3.75Å; W79-P350 HydrophobicContact CZ2-CG 4.17Å; W79-H353 PolarHBondContact NE1-O 2.98Å; W79-G355 VanDerWaalsContact CD1-CA 3.46Å; W79-G355 VanDerWaalsContact CG-CA 3.49Å
80	N	98.9	Very high	92.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	117.5	160	-177	-22.5	0	0	0	108.4	D82 Q128 E129 D242 S351 H353	N80-D82 PolarHBondContact OD1-N 3.44Å; N80-Q128 HydrophobicContact CB-CB 4.07Å; N80-Q128 VanDerWaalsContact N-OE1 3.08Å; N80-E129 PolarHBondContact ND2-OE1 2.95Å; N80-E129 WeakPolarHBondContact OD1-CB 3.42Å; N80-E129 VanDerWaalsContact OD1-CD 3.31Å; N80-E129 VanDerWaalsContact OD1-CG 3.31Å; N80-E129 WeakPolarHBondContact OD1-CG 3.46Å; N80-D242 HydrophobicContact CB-CB 4.02Å; N80-D242 PolarHBondContact ND2-OD2 3.34Å; N80-S351 WeakPolarHBondContact O-CB 3.29Å; N80-S351 PolarHBondContact O-OG 2.84Å; N80-H353 HydrophobicContact CB-CB 4.15Å
81	I	98.8	Very high	94.1	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.026	20%	0.201	C	C	.	.			trans	-99.6	8.1	-173.6	63.2	163.4	0	0	0	113.3	W79 G83 V96 L127 Q128 V130 N134 L138	W79-I81 HydrophobicContact CB-CG2 4.25Å; W79-I81 HydrophobicContact CD2-CG2 4.3Å; W79-I81 HydrophobicContact CG-CG2 4.12Å; W79-I81 PolarHBondContact O-N 3.43Å; I81-G83 VanDerWaalsContact C-N 3.25Å; I81-G83 PolarHBondContact O-N 3.37Å; I81-G83 VanDerWaalsContact O-N 3.15Å; I81-V96 HydrophobicContact CB-CG2 4.37Å; I81-V96 HydrophobicContact CG2-CG1 3.88Å; I81-V96 HydrophobicContact CG2-CG2 3.98Å; I81-L127 HydrophobicContact CD1-CD1 4.28Å; I81-L127 HydrophobicContact CG2-CD2 3.88Å; I81-Q128 WeakPolarHBondContact CG1-O 3.03Å; I81-Q128 PolarHBondContact N-O 3.25Å; I81-V130 HydrophobicContact CD1-CG2 3.95Å; I81-V130 HydrophobicContact CG1-CG2 4.32Å; I81-N134 WeakPolarHBondContact CD1-ND2 3.42Å; I81-L138 HydrophobicContact CD1-CD1 3.79Å
82	D	98	Very high	95.7	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.016	18%	0.175	C	C	.	.			trans	52.5	40.6	170.1	-172.8	39.7	0	0	0	113.2	N80 L84 D85 R92 K304 D352	N80-D82 PolarHBondContact OD1-N 3.44Å; D82-L84 PolarHBondContact O-N 3.22Å; D82-L84 VanDerWaalsContact O-N 3.1Å; D82-D85 PolarHBondContact O-N 2.91Å; D82-D85 WeakPolarHBondContact OD2-CB 3.43Å; D82-R92 PolarHBondContact O-NH2 2.88Å; D82-R92 IonicContact OD2-CZ 3.95Å; D82-R92 IonicContact OD2-NH1 3.26Å; D82-R92 PolarHBondContact OD2-NH1 3.18Å; D82-K304 VanDerWaalsContact CG-NZ 3.26Å; D82-K304 IonicContact OD1-NZ 3.06Å; D82-K304 PolarHBondContact OD1-NZ 3Å; D82-K304 IonicContact OD2-NZ 3.91Å; D82-K304 PolarHBondContact OD2-NZ 3.18Å; D82-D352 WeakPolarHBondContact CB-OD1 3.39Å; D82-D352 VanDerWaalsContact CG-OD1 3.25Å
83	G	98.2	Very high	96.5	Very high	7 Å²	7	30.1 Å²	30.1	7%	0.072	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-13.6	-179.2	0	0	0	0	0	114	I81 D85 E129 V131 N134	I81-G83 VanDerWaalsContact C-N 3.25Å; I81-G83 PolarHBondContact O-N 3.37Å; I81-G83 VanDerWaalsContact O-N 3.15Å; G83-D85 VanDerWaalsContact C-N 3.28Å; G83-E129 WeakPolarHBondContact CA-O 3.29Å; G83-E129 PolarHBondContact N-O 3.01Å; G83-V131 WeakPolarHBondContact O-CG2 3.48Å; G83-N134 VanDerWaalsContact CA-ND2 3.27Å; G83-N134 WeakPolarHBondContact CA-ND2 3.28Å
84	L	96.8	Very high	97	Very high	82 Å²	82	31 Å²	31	43%	0.429	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-20.9	172.2	-68.8	178.4	0	0	0	113	D82 P86 E129 V131 Y157	D82-L84 PolarHBondContact O-N 3.22Å; D82-L84 VanDerWaalsContact O-N 3.1Å; L84-P86 VanDerWaalsContact O-CD 3.29Å; L84-P86 WeakPolarHBondContact O-CD 3.46Å; L84-E129 HydrophobicContact CD1-CG 4.48Å; L84-V131 HydrophobicContact CD2-CG1 4.27Å; L84-Y157 HydrophobicContact CD1-CD1 4.25Å; L84-Y157 HydrophobicContact CD1-CD2 4.15Å; L84-Y157 HydrophobicContact CD1-CE2 4.38Å; L84-Y157 HydrophobicContact CD1-CG 4.06Å; L84-Y157 HydrophobicContact CD2-CD1 4.05Å; L84-Y157 HydrophobicContact CD2-CG 3.96Å; L84-Y157 HydrophobicContact CG-CG 4.21Å
85	D	95.7	Very high	97.3	Very high	26 Å²	26	31.6 Å²	31.6	14%	0.139	17%	0.174	C	C	.	.			trans	-80.1	112.5	170.2	176.9	15.2	0	0	0	110.4	D82 G83 H87 R92	D82-D85 PolarHBondContact O-N 2.91Å; D82-D85 WeakPolarHBondContact OD2-CB 3.43Å; G83-D85 VanDerWaalsContact C-N 3.28Å; D85-H87 PolarHBondContact O-N 3.42Å; D85-H87 WeakPolarHBondContact OD1-CB 3.41Å; D85-H87 IonicContact OD1-CE1 3.85Å; D85-H87 IonicContact OD1-CG 3.44Å; D85-H87 PolarHBondContact OD1-N 3.48Å; D85-H87 IonicContact OD1-ND1 2.72Å; D85-H87 PolarHBondContact OD1-ND1 2.99Å; D85-R92 PolarHBondContact O-NH2 2.75Å; D85-R92 IonicContact OD2-CZ 3.76Å; D85-R92 IonicContact OD2-NH1 2.89Å; D85-R92 PolarHBondContact OD2-NH1 3.01Å
86	P	94.4	Very high	97.4	Very high	95 Å²	95	31.7 Å²	31.7	62%	0.617	18%	0.175	S	C	*	.			trans	-71	-17.4	-177.7	30.3	-36.5	0	0	0	113	L84 N88 V89	L84-P86 VanDerWaalsContact O-CD 3.29Å; L84-P86 WeakPolarHBondContact O-CD 3.46Å; P86-N88 PolarHBondContact O-N 3.29Å; P86-V89 PolarHBondContact O-N 3.01Å
87	H	94.7	Very high	97.5	Very high	130 Å²	130	31.7 Å²	31.7	60%	0.602	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	122.9	-175.7	-61.3	88.2	0	0	0	110.7	D85 V89 R92	D85-H87 PolarHBondContact O-N 3.42Å; D85-H87 WeakPolarHBondContact OD1-CB 3.41Å; D85-H87 IonicContact OD1-CE1 3.85Å; D85-H87 IonicContact OD1-CG 3.44Å; D85-H87 PolarHBondContact OD1-N 3.48Å; D85-H87 IonicContact OD1-ND1 2.72Å; D85-H87 PolarHBondContact OD1-ND1 2.99Å; H87-V89 PolarHBondContact O-N 3.43Å; H87-R92 PolarHBondContact O-NE 3.15Å
88	N	95.8	Very high	97.3	Very high	77 Å²	77	34.2 Å²	34.2	41%	0.412	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	24.5	178.2	-57	-54.4	0	0	0	114.1	P86 K90 S91 R92 C346	P86-N88 PolarHBondContact O-N 3.29Å; N88-K90 PolarHBondContact O-N 2.85Å; N88-S91 PolarHBondContact O-N 3.26Å; N88-R92 HydrophobicContact CB-CG 4.31Å; N88-R92 WeakPolarHBondContact O-CG 3.43Å; N88-R92 PolarHBondContact O-N 2.89Å; N88-C346 HydrophobicContact CB-CB 3.97Å
89	V	96.8	Very high	97.1	Very high	9 Å²	9	36.2 Å²	36.2	6%	0.055	20%	0.198	C	C	.	.	H	α-helix	trans	-52.1	-39.4	-170	65.2	0	0	0	0	112.5	P86 H87 A93 E133 N134	P86-V89 PolarHBondContact O-N 3.01Å; H87-V89 PolarHBondContact O-N 3.43Å; V89-A93 VanDerWaalsContact O-CB 3.29Å; V89-A93 WeakPolarHBondContact O-CB 3.37Å; V89-A93 PolarHBondContact O-N 3.2Å; V89-E133 HydrophobicContact CG1-CG 4.2Å; V89-N134 HydrophobicContact CG2-CB 4.09Å
90	K	97.4	Very high	97	Very high	122 Å²	122	36.2 Å²	36.2	53%	0.53	20%	0.198	S	C	.	.	H	α-helix	trans	-67.1	-46.5	177.1	-61	-166.8	-176.9	-177.3	0	113.3	N88 R92 A93 S94 E133 I137	N88-K90 PolarHBondContact O-N 2.85Å; K90-R92 VanDerWaalsContact C-N 3.34Å; K90-A93 PolarHBondContact O-N 2.93Å; K90-S94 WeakPolarHBondContact O-CB 3.39Å; K90-S94 PolarHBondContact O-N 2.79Å; K90-E133 WeakPolarHBondContact CE-OE1 3.38Å; K90-E133 HydrophobicContact CG-CG 4.41Å; K90-E133 IonicContact NZ-OE1 3.87Å; K90-I137 HydrophobicContact CB-CD1 3.35Å; K90-I137 HydrophobicContact CD-CD1 4.1Å; K90-I137 HydrophobicContact CG-CD1 3.55Å
91	S	97.1	Very high	96.7	Very high	51 Å²	51	37.6 Å²	37.6	36%	0.357	21%	0.206	S	C	.	.	H	α-helix	trans	-65.6	-39.3	177.6	-57.4	0	0	0	0	111.4	N88 S94 A95	N88-S91 PolarHBondContact O-N 3.26Å; S91-S94 PolarHBondContact O-N 2.78Å; S91-A95 WeakPolarHBondContact O-CB 3.37Å; S91-A95 PolarHBondContact O-N 2.86Å
92	R	98.2	Very high	96.2	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.015	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-47.6	174.1	-68.9	-166.9	-55	145.1	19.3	111.4	D82 D85 H87 N88 K90 S94 A95 V96 I343 Y349 P350	D82-R92 PolarHBondContact O-NH2 2.88Å; D82-R92 IonicContact OD2-CZ 3.95Å; D82-R92 IonicContact OD2-NH1 3.26Å; D82-R92 PolarHBondContact OD2-NH1 3.18Å; D85-R92 PolarHBondContact O-NH2 2.75Å; D85-R92 IonicContact OD2-CZ 3.76Å; D85-R92 IonicContact OD2-NH1 2.89Å; D85-R92 PolarHBondContact OD2-NH1 3.01Å; H87-R92 PolarHBondContact O-NE 3.15Å; N88-R92 HydrophobicContact CB-CG 4.31Å; N88-R92 WeakPolarHBondContact O-CG 3.43Å; N88-R92 PolarHBondContact O-N 2.89Å; K90-R92 VanDerWaalsContact C-N 3.34Å; R92-S94 PolarHBondContact O-N 2.88Å; R92-A95 WeakPolarHBondContact O-CB 3.39Å; R92-A95 PolarHBondContact O-N 3.38Å; R92-A95 VanDerWaalsContact O-N 3.16Å; R92-V96 WeakPolarHBondContact O-CG2 3.31Å; R92-V96 PolarHBondContact O-N 3.1Å; R92-I343 HydrophobicContact CB-CD1 4.4Å; R92-I343 HydrophobicContact CG-CD1 4.02Å; R92-Y349 WeakPolarHBondContact CD-O 3.38Å; R92-P350 WeakPolarHBondContact CB-O 3.48Å
93	A	98.3	Very high	95.7	Very high	3 Å²	3	41.6 Å²	41.6	3%	0.025	23%	0.225	C	C	.	.	H	α-helix	trans	-58.8	-43.9	175.5	0	0	0	0	0	112.8	V89 K90 A95 V96 A97 N134 I137	V89-A93 VanDerWaalsContact O-CB 3.29Å; V89-A93 WeakPolarHBondContact O-CB 3.37Å; V89-A93 PolarHBondContact O-N 3.2Å; K90-A93 PolarHBondContact O-N 2.93Å; A93-A95 VanDerWaalsContact C-N 3.34Å; A93-A95 PolarHBondContact O-N 2.8Å; A93-V96 PolarHBondContact O-N 2.83Å; A93-A97 PolarHBondContact O-N 2.89Å; A93-N134 HydrophobicContact CB-CB 3.68Å; A93-I137 HydrophobicContact CB-CB 4.14Å; A93-I137 HydrophobicContact CB-CD1 4.29Å; A93-I137 HydrophobicContact CB-CG2 4.11Å
94	S	97.9	Very high	94.3	Very high	36 Å²	36	43.3 Å²	43.3	25%	0.252	23%	0.234	S	C	.	.	H	α-helix	trans	-61.8	-41.7	175.9	-174.6	0	0	0	0	111.8	K90 S91 R92 A97 N98 K141	K90-S94 WeakPolarHBondContact O-CB 3.39Å; K90-S94 PolarHBondContact O-N 2.79Å; S91-S94 PolarHBondContact O-N 2.78Å; R92-S94 PolarHBondContact O-N 2.88Å; S94-A97 PolarHBondContact O-N 3.4Å; S94-N98 PolarHBondContact O-N 3.1Å; S94-N98 PolarHBondContact O-ND2 2.99Å; S94-K141 VanDerWaalsContact OG-CE 3.28Å; S94-K141 WeakPolarHBondContact OG-CE 3.4Å
95	A	97.7	Very high	92.7	Very high	14 Å²	14	39.5 Å²	39.5	12%	0.116	21%	0.214	C	C	.	.	H	α-helix	trans	-65.3	-42	175.4	0	0	0	0	0	112.4	S91 R92 A93 N98 I99 I343 P350	S91-A95 WeakPolarHBondContact O-CB 3.37Å; S91-A95 PolarHBondContact O-N 2.86Å; R92-A95 WeakPolarHBondContact O-CB 3.39Å; R92-A95 PolarHBondContact O-N 3.38Å; R92-A95 VanDerWaalsContact O-N 3.16Å; A93-A95 VanDerWaalsContact C-N 3.34Å; A93-A95 PolarHBondContact O-N 2.8Å; A95-N98 PolarHBondContact O-N 3.11Å; A95-I99 WeakPolarHBondContact O-CB 3.32Å; A95-I99 WeakPolarHBondContact O-CD1 3.07Å; A95-I99 VanDerWaalsContact O-CG1 3.27Å; A95-I99 WeakPolarHBondContact O-CG1 3.38Å; A95-I99 PolarHBondContact O-N 2.84Å; A95-I343 HydrophobicContact CB-CD1 3.39Å; A95-I343 HydrophobicContact CB-CG1 3.63Å; A95-P350 HydrophobicContact CB-CB 4.44Å; A95-P350 HydrophobicContact CB-CG 4.34Å
96	V	98.3	Very high	91	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-56.3	-51	173.3	168	0	0	0	0	110.5	W79 I81 R92 A93 N98 I99 I100 L138 P350	W79-V96 HydrophobicContact CE3-CG1 3.97Å; W79-V96 HydrophobicContact CE3-CG2 4.25Å; W79-V96 HydrophobicContact CH2-CG2 3.9Å; W79-V96 HydrophobicContact CZ2-CG2 4.35Å; W79-V96 HydrophobicContact CZ3-CB 4.12Å; W79-V96 HydrophobicContact CZ3-CG1 3.97Å; W79-V96 HydrophobicContact CZ3-CG2 3.85Å; I81-V96 HydrophobicContact CB-CG2 4.37Å; I81-V96 HydrophobicContact CG2-CG1 3.88Å; I81-V96 HydrophobicContact CG2-CG2 3.98Å; R92-V96 WeakPolarHBondContact O-CG2 3.31Å; R92-V96 PolarHBondContact O-N 3.1Å; A93-V96 PolarHBondContact O-N 2.83Å; V96-N98 PolarHBondContact O-N 3.03Å; V96-I99 PolarHBondContact O-N 3.01Å; V96-I100 HydrophobicContact CG1-CD1 3.81Å; V96-I100 WeakPolarHBondContact O-CG1 3.48Å; V96-I100 PolarHBondContact O-N 2.83Å; V96-L138 HydrophobicContact CG1-CD2 4.06Å; V96-P350 HydrophobicContact CG2-CB 3.88Å
97	A	98.1	Very high	89.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-43.2	178.8	0	0	0	0	0	112.7	A93 S94 I99 I100 L101 L138 K141 L142	A93-A97 PolarHBondContact O-N 2.89Å; S94-A97 PolarHBondContact O-N 3.4Å; A97-I99 VanDerWaalsContact C-N 3.34Å; A97-I99 PolarHBondContact O-N 2.85Å; A97-I100 PolarHBondContact O-N 2.83Å; A97-L101 WeakPolarHBondContact O-CG 3.41Å; A97-L101 PolarHBondContact O-N 3.01Å; A97-L138 HydrophobicContact CB-CD2 4.19Å; A97-K141 HydrophobicContact CB-CB 3.73Å; A97-K141 HydrophobicContact CB-CD 3.92Å; A97-K141 HydrophobicContact CB-CG 4.42Å; A97-L142 HydrophobicContact CB-CD2 4.04Å; A97-L142 HydrophobicContact CB-CG 4.22Å
98	N	95.1	Very high	87.4	Confident	54 Å²	54	34.3 Å²	34.3	29%	0.289	19%	0.185	S	C	.	.	H	α-helix	trans	-60.7	-45.4	176	-69.9	-19.7	0	0	0	111.2	S94 A95 V96 I100 L101 E102 K141	S94-N98 PolarHBondContact O-N 3.1Å; S94-N98 PolarHBondContact O-ND2 2.99Å; A95-N98 PolarHBondContact O-N 3.11Å; V96-N98 PolarHBondContact O-N 3.03Å; N98-I100 VanDerWaalsContact C-N 3.33Å; N98-I100 PolarHBondContact O-N 2.89Å; N98-L101 PolarHBondContact O-N 2.92Å; N98-E102 VanDerWaalsContact O-CB 3.26Å; N98-E102 WeakPolarHBondContact O-CB 3.42Å; N98-E102 VanDerWaalsContact O-CG 3.24Å; N98-E102 WeakPolarHBondContact O-CG 3.05Å; N98-E102 PolarHBondContact O-N 3.4Å; N98-K141 WeakPolarHBondContact OD1-CE 3.39Å; N98-K141 PolarHBondContact OD1-NZ 2.83Å
99	I	95	Very high	85.4	Confident	41 Å²	41	35.5 Å²	35.5	21%	0.21	19%	0.191	C	C	.	.	H	α-helix	trans	-58.7	-47.6	176.8	-71	162.7	0	0	0	109.8	W79 A95 V96 A97 L101 E102 L103 P350	W79-I99 HydrophobicContact CH2-CD1 3.7Å; W79-I99 HydrophobicContact CH2-CG2 4.5Å; W79-I99 HydrophobicContact CZ3-CB 4.25Å; W79-I99 HydrophobicContact CZ3-CD1 4.16Å; W79-I99 HydrophobicContact CZ3-CG2 4.03Å; A95-I99 WeakPolarHBondContact O-CB 3.32Å; A95-I99 WeakPolarHBondContact O-CD1 3.07Å; A95-I99 VanDerWaalsContact O-CG1 3.27Å; A95-I99 WeakPolarHBondContact O-CG1 3.38Å; A95-I99 PolarHBondContact O-N 2.84Å; V96-I99 PolarHBondContact O-N 3.01Å; A97-I99 VanDerWaalsContact C-N 3.34Å; A97-I99 PolarHBondContact O-N 2.85Å; I99-L101 VanDerWaalsContact C-N 3.3Å; I99-L101 PolarHBondContact O-N 2.83Å; I99-E102 CarbonylContact O-C 3.52Å; I99-E102 PolarHBondContact O-N 3.12Å; I99-E102 VanDerWaalsContact O-N 3.13Å; I99-L103 HydrophobicContact CG2-CD1 4.23Å; I99-L103 HydrophobicContact CG2-CD2 4.39Å; I99-L103 HydrophobicContact CG2-CG 4.07Å; I99-L103 VanDerWaalsContact O-CG 3.22Å; I99-L103 WeakPolarHBondContact O-CG 3.31Å; I99-L103 PolarHBondContact O-N 2.79Å; I99-P350 HydrophobicContact CD1-CG 3.94Å
100	I	96.1	Very high	83.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-54.2	-46.3	177.3	-69.5	164	0	0	0	111.8	L77 V96 A97 N98 E102 P122 V125 L142 Y146	L77-I100 HydrophobicContact CD2-CD1 4.35Å; L77-I100 HydrophobicContact CD2-CG1 3.58Å; V96-I100 HydrophobicContact CG1-CD1 3.81Å; V96-I100 WeakPolarHBondContact O-CG1 3.48Å; V96-I100 PolarHBondContact O-N 2.83Å; A97-I100 PolarHBondContact O-N 2.83Å; N98-I100 VanDerWaalsContact C-N 3.33Å; N98-I100 PolarHBondContact O-N 2.89Å; I100-E102 VanDerWaalsContact C-N 3.31Å; I100-E102 PolarHBondContact O-N 3.14Å; I100-P122 VanDerWaalsContact O-CD 3.26Å; I100-P122 WeakPolarHBondContact O-CD 3.21Å; I100-V125 HydrophobicContact CD1-CG1 4Å; I100-V125 HydrophobicContact CG2-CG2 4.01Å; I100-L142 HydrophobicContact CB-CD2 4.19Å; I100-L142 HydrophobicContact CD1-CD1 4.07Å; I100-L142 HydrophobicContact CG2-CD2 3.93Å; I100-Y146 HydrophobicContact CG2-CE2 3.79Å; I100-Y146 WeakPolarHBondContact CG2-OH 3.47Å
101	L	93.6	Very high	81.1	Confident	30 Å²	30	39 Å²	39	16%	0.157	22%	0.218	C	C	.	.	H	α-helix	trans	-74.2	-19.6	-178.3	-67.2	167.4	0	0	0	113.9	A97 N98 I99 M121 L142 E145 Y146	A97-L101 WeakPolarHBondContact O-CG 3.41Å; A97-L101 PolarHBondContact O-N 3.01Å; N98-L101 PolarHBondContact O-N 2.92Å; I99-L101 VanDerWaalsContact C-N 3.3Å; I99-L101 PolarHBondContact O-N 2.83Å; L101-M121 HydrophobicContact CD2-CE 4.32Å; L101-M121 HydrophobicContact CD2-SD 3.89Å; L101-L142 HydrophobicContact CD1-CD2 4.1Å; L101-L142 HydrophobicContact CD2-CD2 4.01Å; L101-L142 HydrophobicContact CG-CD2 3.76Å; L101-E145 HydrophobicContact CD2-CB 4.28Å; L101-E145 HydrophobicContact CD2-CG 3.92Å; L101-Y146 HydrophobicContact CD2-CE2 4.24Å
102	E	87.9	Confident	78.9	Confident	71 Å²	71	38.8 Å²	38.8	33%	0.332	22%	0.215	S	C	.	.	H	α-helix	trans	-107.7	-4.2	-176.1	-67.5	175.3	179.7	0	0	113.3	N98 I99 I100	N98-E102 VanDerWaalsContact O-CB 3.26Å; N98-E102 WeakPolarHBondContact O-CB 3.42Å; N98-E102 VanDerWaalsContact O-CG 3.24Å; N98-E102 WeakPolarHBondContact O-CG 3.05Å; N98-E102 PolarHBondContact O-N 3.4Å; I99-E102 CarbonylContact O-C 3.52Å; I99-E102 PolarHBondContact O-N 3.12Å; I99-E102 VanDerWaalsContact O-N 3.13Å; I100-E102 VanDerWaalsContact C-N 3.31Å; I100-E102 PolarHBondContact O-N 3.14Å
103	L	86.3	Confident	76.3	Confident	21 Å²	21	42.9 Å²	42.9	11%	0.11	24%	0.242	C	C	.	.			trans	-62.9	142.2	177.9	-86.4	171.1	0	0	0	111.3	L77 I99 P122 V338 L357	L77-L103 HydrophobicContact CD1-CD1 4.32Å; L77-L103 HydrophobicContact CD2-CD1 4.02Å; I99-L103 HydrophobicContact CG2-CD1 4.23Å; I99-L103 HydrophobicContact CG2-CD2 4.39Å; I99-L103 HydrophobicContact CG2-CG 4.07Å; I99-L103 VanDerWaalsContact O-CG 3.22Å; I99-L103 WeakPolarHBondContact O-CG 3.31Å; I99-L103 PolarHBondContact O-N 2.79Å; L103-P122 HydrophobicContact CB-CG 4.22Å; L103-P122 HydrophobicContact CD1-CG 3.79Å; L103-V338 HydrophobicContact CD1-CG1 4.24Å; L103-V338 HydrophobicContact CD2-CB 4.17Å; L103-V338 HydrophobicContact CD2-CG1 3.54Å; L103-L357 HydrophobicContact CD2-CD2 4.41Å
104	V	68.6	Low	74.1	Confident	43 Å²	43	48.5 Å²	48.5	26%	0.261	28%	0.278	S	S	.	.			trans	-131.6	129.4	177.6	-177.9	0	0	0	0	108.1	D108 L109 K336	V104-D108 HydrophobicContact CG1-CB 3.78Å; V104-L109 HydrophobicContact CG1-CD2 4.37Å; V104-L109 HydrophobicContact CG1-CG 4.41Å; V104-K336 PolarHBondContact O-NZ 2.76Å
105	C	64.4	Low	71.4	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.007	30%	0.299	C	S	.	.			trans	-77.8	152	171.3	-79.8	0	0	0	0	109.6	F107 D108 C359	C105-F107 PolarHBondContact O-N 3.05Å; C105-D108 WeakPolarHBondContact O-CB 3.47Å; C105-D108 PolarHBondContact O-N 2.84Å; C105-D108 VanDerWaalsContact O-N 3.15Å; C105-C359 HydrophobicContact CB-CB 4.18Å; C105-C359 WeakPolarHBondContact CB-SG 3.19Å; C105-C359 WeakPolarHBondContact SG-CB 3.44Å; C105-C359 CovalentContact SG-SG 2.09Å; C105-C359 PolarHBondContact SG-SG 3.4Å
106	T	60.3	Low	68.7	Low	61 Å²	61	54.8 Å²	54.8	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-63.1	-29	-176.5	-65.1	0	0	0	0	112.4	D108 L109 I110 E334	T106-D108 VanDerWaalsContact C-N 3.29Å; T106-D108 PolarHBondContact O-N 2.54Å; T106-L109 WeakPolarHBondContact O-CB 3.22Å; T106-L109 PolarHBondContact O-N 3.12Å; T106-L109 VanDerWaalsContact O-N 3.08Å; T106-I110 HydrophobicContact CG2-CD1 4.21Å; T106-E334 WeakPolarHBondContact CB-OE2 3.47Å; T106-E334 PolarHBondContact N-OE2 3.1Å; T106-E334 VanDerWaalsContact OG1-CD 3.23Å; T106-E334 PolarHBondContact OG1-OE1 3.29Å; T106-E334 PolarHBondContact OG1-OE2 3.14Å
107	F	58.3	Low	66.1	Low	69 Å²	69	59.1 Å²	59.1	30%	0.303	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-36.5	177.2	-170.3	-98.9	0	0	0	112.5	P71 C105 L109 I110 C111	P71-F107 HydrophobicContact CG-CZ 4.38Å; C105-F107 PolarHBondContact O-N 3.05Å; F107-L109 PolarHBondContact O-N 3.13Å; F107-I110 PolarHBondContact O-N 3.19Å; F107-C111 HydrophobicContact CD1-CB 4.38Å; F107-C111 HydrophobicContact CE1-CB 4Å; F107-C111 VanDerWaalsContact CE1-SG 3.59Å; F107-C111 VanDerWaalsContact CE2-SG 3.59Å; F107-C111 HydrophobicContact CZ-CB 4.29Å; F107-C111 WeakPolarHBondContact CZ-SG 3.06Å; F107-C111 PolarHBondContact O-N 2.86Å
108	D	55	Low	63.6	Low	13 Å²	13	63.5 Å²	63.5	7%	0.07	35%	0.352	C	S	.	.	H	α-helix	trans	-62	-27	175.6	-62	-21.6	0	0	0	112.1	V104 C105 T106 I110 T112 C118 T120	V104-D108 HydrophobicContact CG1-CB 3.78Å; C105-D108 WeakPolarHBondContact O-CB 3.47Å; C105-D108 PolarHBondContact O-N 2.84Å; C105-D108 VanDerWaalsContact O-N 3.15Å; T106-D108 VanDerWaalsContact C-N 3.29Å; T106-D108 PolarHBondContact O-N 2.54Å; D108-I110 VanDerWaalsContact C-N 3.33Å; D108-T112 WeakPolarHBondContact O-CG2 3.48Å; D108-C118 WeakPolarHBondContact CB-O 3.01Å; D108-T120 VanDerWaalsContact CG-OG1 3.3Å; D108-T120 VanDerWaalsContact OD1-CG2 3.27Å; D108-T120 WeakPolarHBondContact OD1-CG2 3.16Å; D108-T120 PolarHBondContact OD1-OG1 2.82Å; D108-T120 VanDerWaalsContact OD2-CB 3.3Å; D108-T120 WeakPolarHBondContact OD2-CB 3.26Å; D108-T120 PolarHBondContact OD2-N 2.89Å; D108-T120 PolarHBondContact OD2-OG1 2.92Å
109	L	53.8	Low	61.7	Low	102 Å²	102	64.2 Å²	64.2	53%	0.534	35%	0.351	S	S	.	.	H	α-helix	trans	-76.8	-21.9	177.1	-61.8	172	0	0	0	112.8	V104 T106 F107 Y117	V104-L109 HydrophobicContact CG1-CD2 4.37Å; V104-L109 HydrophobicContact CG1-CG 4.41Å; T106-L109 WeakPolarHBondContact O-CB 3.22Å; T106-L109 PolarHBondContact O-N 3.12Å; T106-L109 VanDerWaalsContact O-N 3.08Å; F107-L109 PolarHBondContact O-N 3.13Å; L109-Y117 HydrophobicContact CD2-CD1 4.49Å; L109-Y117 HydrophobicContact CD2-CE1 4.02Å
110	I	53.6	Low	60.5	Low	129 Å²	129	63.9 Å²	63.9	66%	0.662	35%	0.351	S	S	*	.	H	α-helix	trans	-99	-35.8	-172.6	-60.1	169.6	0	0	0	111.1	T106 F107 D108	T106-I110 HydrophobicContact CG2-CD1 4.21Å; F107-I110 PolarHBondContact O-N 3.19Å; D108-I110 VanDerWaalsContact C-N 3.33Å
111	C	49.6	Very low	60.1	Low	74 Å²	74	65.4 Å²	65.4	50%	0.5	36%	0.358	S	S	.	.	S	Bend	trans	-93.9	8.6	-174.4	-70.9	0	0	0	0	114.7	F107 P113	F107-C111 HydrophobicContact CD1-CB 4.38Å; F107-C111 HydrophobicContact CE1-CB 4Å; F107-C111 VanDerWaalsContact CE1-SG 3.59Å; F107-C111 VanDerWaalsContact CE2-SG 3.59Å; F107-C111 HydrophobicContact CZ-CB 4.29Å; F107-C111 WeakPolarHBondContact CZ-SG 3.06Å; F107-C111 PolarHBondContact O-N 2.86Å; C111-P113 VanDerWaalsContact O-CD 3.28Å; C111-P113 WeakPolarHBondContact O-CD 3.35Å
112	T	50	Low	60.2	Low	47 Å²	47	64 Å²	64	29%	0.288	35%	0.351	S	S	.	.			trans	-72.9	119.4	178.8	39.9	0	0	0	0	112.1	D108 Y117	D108-T112 WeakPolarHBondContact O-CG2 3.48Å; T112-Y117 HydrophobicContact CG2-CD1 4.36Å
113	P	43.7	Very low	60.5	Low	90 Å²	90	60.8 Å²	60.8	58%	0.584	34%	0.336	S	S	*	.			trans	-62.9	163.7	160.2	28.4	-31.5	0	0	0	109.6	C111 F115	C111-P113 VanDerWaalsContact O-CD 3.28Å; C111-P113 WeakPolarHBondContact O-CD 3.35Å; P113-F115 PolarHBondContact O-N 3.24Å
114	P	52.2	Low	61.1	Low	122 Å²	122	59.8 Å²	59.8	79%	0.792	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	15.6	-169.5	25.4	-33.7	0	0	0	116
115	F	41.1	Very low	62.5	Low	157 Å²	157	57.8 Å²	57.8	69%	0.689	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144	47.4	-172.8	-73.4	-75.8	0	0	0	114.2	P113	P113-F115 PolarHBondContact O-N 3.24Å
116	G	42	Very low	64.2	Low	24 Å²	24	57.7 Å²	57.7	25%	0.247	32%	0.318	C	S	.	.			trans	148.5	115.7	166.8	0	0	0	0	0	115.5	D55 C118	D55-G116 VanDerWaalsContact CG-CA 3.43Å; D55-G116 WeakPolarHBondContact OD2-CA 3.38Å; G116-C118 PolarHBondContact O-N 3.03Å
117	Y	44	Very low	66	Low	93 Å²	93	54.8 Å²	54.8	37%	0.365	30%	0.3	S	S	.	.			trans	-60.7	113.1	162	-70.7	-82	0	0	0	110.6	D55 L109 T112 R119	D55-Y117 WeakPolarHBondContact OD2-CD2 3.3Å; D55-Y117 PolarHBondContact OD2-N 3.44Å; L109-Y117 HydrophobicContact CD2-CD1 4.49Å; L109-Y117 HydrophobicContact CD2-CE1 4.02Å; T112-Y117 HydrophobicContact CG2-CD1 4.36Å; Y117-R119 PolarHBondContact O-N 2.64Å; Y117-R119 VanDerWaalsContact O-N 3.13Å
118	C	45.2	Very low	67.9	Low	91 Å²	91	51.5 Å²	51.5	62%	0.615	29%	0.286	S	S	*	.			trans	-78.1	95.9	165	-152.5	0	0	0	0	107.1	D108 G116 T120	D108-C118 WeakPolarHBondContact CB-O 3.01Å; G116-C118 PolarHBondContact O-N 3.03Å; C118-T120 PolarHBondContact O-N 3.07Å; C118-T120 VanDerWaalsContact O-N 3.12Å
119	R	56.1	Low	70	Confident	70 Å²	70	51.8 Å²	51.8	26%	0.264	29%	0.287	S	S	.	.			trans	-66.3	108.9	173.9	-77.1	-173	-150.4	-171.4	4.6	108.6	Y52 Y117 M121	Y52-R119 PolarHBondContact OH-NH1 2.74Å; Y52-R119 VanDerWaalsContact OH-NH1 3.07Å; Y52-R119 PolarHBondContact OH-NH2 3.06Å; Y117-R119 PolarHBondContact O-N 2.64Å; Y117-R119 VanDerWaalsContact O-N 3.13Å; R119-M121 PolarHBondContact O-N 3.47Å
120	T	68.4	Low	72.1	Confident	34 Å²	34	47 Å²	47	21%	0.209	26%	0.261	C	S	.	.			trans	-88.3	99.5	167	65.8	0	0	0	0	109.8	D108 C118	D108-T120 VanDerWaalsContact CG-OG1 3.3Å; D108-T120 VanDerWaalsContact OD1-CG2 3.27Å; D108-T120 WeakPolarHBondContact OD1-CG2 3.16Å; D108-T120 PolarHBondContact OD1-OG1 2.82Å; D108-T120 VanDerWaalsContact OD2-CB 3.3Å; D108-T120 WeakPolarHBondContact OD2-CB 3.26Å; D108-T120 PolarHBondContact OD2-N 2.89Å; D108-T120 PolarHBondContact OD2-OG1 2.92Å; C118-T120 PolarHBondContact O-N 3.07Å; C118-T120 VanDerWaalsContact O-N 3.12Å
121	M	89	Confident	74.3	Confident	32 Å²	32	41.7 Å²	41.7	16%	0.158	24%	0.235	C	C	.	.			trans	-57.8	147.8	163.7	-63.8	-174.5	-161	0	0	109.4	L101 R119 T123 E145 Y146	L101-M121 HydrophobicContact CD2-CE 4.32Å; L101-M121 HydrophobicContact CD2-SD 3.89Å; R119-M121 PolarHBondContact O-N 3.47Å; M121-T123 PolarHBondContact O-N 3.26Å; M121-E145 HydrophobicContact CE-CB 4.49Å; M121-E145 HydrophobicContact CE-CG 3.74Å; M121-E145 HydrophobicContact SD-CB 3.77Å; M121-E145 HydrophobicContact SD-CG 3.66Å; M121-Y146 HydrophobicContact CB-CE2 4.48Å; M121-Y146 WeakPolarHBondContact CB-OH 3.28Å; M121-Y146 HydrophobicContact SD-CE2 4.14Å
122	P	94.6	Very high	76.5	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.006	23%	0.233	C	C	.	.			trans	-47.5	123.7	173.7	-30.2	35	0	0	0	112.2	S75 L77 I100 L103 A124 V125 Y146 L357	S75-P122 VanDerWaalsContact OG-CA 3.29Å; S75-P122 WeakPolarHBondContact OG-CA 3.02Å; L77-P122 HydrophobicContact CB-CB 3.93Å; L77-P122 HydrophobicContact CB-CG 4.1Å; L77-P122 HydrophobicContact CD2-CG 4.34Å; I100-P122 VanDerWaalsContact O-CD 3.26Å; I100-P122 WeakPolarHBondContact O-CD 3.21Å; L103-P122 HydrophobicContact CB-CG 4.22Å; L103-P122 HydrophobicContact CD1-CG 3.79Å; P122-A124 VanDerWaalsContact C-N 3.25Å; P122-A124 PolarHBondContact O-N 3.03Å; P122-V125 HydrophobicContact CB-CG2 3.83Å; P122-Y146 VanDerWaalsContact CD-OH 3.29Å; P122-Y146 WeakPolarHBondContact CD-OH 3.46Å; P122-Y146 WeakPolarHBondContact O-CE1 3.46Å; P122-Y146 PolarHBondContact O-OH 3.14Å; P122-L357 HydrophobicContact CB-CD1 4.34Å; P122-L357 HydrophobicContact CG-CD1 4.08Å
123	T	95.4	Very high	78.8	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.018	24%	0.242	C	C	.	.	S	Bend	trans	-62.9	-36.8	179.5	-50.9	0	0	0	0	111.9	F74 S75 M121 H164 A168 L194 F195	F74-T123 HydrophobicContact CD2-CG2 3.69Å; F74-T123 HydrophobicContact CE2-CG2 4.06Å; S75-T123 PolarHBondContact N-OG1 3.18Å; S75-T123 VanDerWaalsContact N-OG1 3.14Å; S75-T123 WeakPolarHBondContact O-CA 3.49Å; S75-T123 VanDerWaalsContact O-CB 3.3Å; S75-T123 WeakPolarHBondContact O-CB 3.44Å; S75-T123 PolarHBondContact O-N 3.29Å; S75-T123 PolarHBondContact OG-N 3.02Å; S75-T123 VanDerWaalsContact OG-N 3.1Å; M121-T123 PolarHBondContact O-N 3.26Å; T123-H164 PolarHBondContact O-N 3.44Å; T123-A168 HydrophobicContact CG2-CB 3.9Å; T123-L194 HydrophobicContact CG2-CD2 3.88Å; T123-F195 HydrophobicContact CG2-CE2 4.47Å; T123-F195 HydrophobicContact CG2-CZ 4.36Å
124	A	97.8	Very high	81.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	145.3	173	0	0	0	0	0	110.5	F74 S75 L76 L77 P122 F162 L163 L202	F74-A124 HydrophobicContact CE2-CB 4.23Å; S75-A124 PolarHBondContact O-N 3.5Å; L76-A124 WeakPolarHBondContact CA-O 3.27Å; L76-A124 HydrophobicContact CD1-CB 3.77Å; L77-A124 PolarHBondContact N-O 3.12Å; P122-A124 VanDerWaalsContact C-N 3.25Å; P122-A124 PolarHBondContact O-N 3.03Å; A124-F162 WeakPolarHBondContact CA-O 3.3Å; A124-L163 HydrophobicContact CB-CD2 3.87Å; A124-L202 HydrophobicContact CB-CD1 3.69Å
125	V	98.7	Very high	83.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	121.1	178.4	-179.2	0	0	0	0	109.5	L77 I100 P122 L127 Y146 T161 F162	L77-V125 HydrophobicContact CB-CG1 4.44Å; L77-V125 HydrophobicContact CB-CG2 4.28Å; L77-V125 HydrophobicContact CD2-CG1 3.95Å; L77-V125 HydrophobicContact CD2-CG2 4.29Å; L77-V125 HydrophobicContact CG-CG1 4.31Å; L77-V125 CarbonylContact O-C 3.55Å; L77-V125 WeakPolarHBondContact O-CA 3.44Å; I100-V125 HydrophobicContact CD1-CG1 4Å; I100-V125 HydrophobicContact CG2-CG2 4.01Å; P122-V125 HydrophobicContact CB-CG2 3.83Å; V125-L127 HydrophobicContact CG1-CD2 3.56Å; V125-L127 HydrophobicContact CG1-CG 3.9Å; V125-Y146 HydrophobicContact CG2-CE1 3.8Å; V125-T161 CarbonylContact O-C 3.55Å; V125-T161 VanDerWaalsContact O-CA 3.26Å; V125-T161 WeakPolarHBondContact O-CA 3.13Å; V125-F162 HydrophobicContact CB-CB 4.21Å; V125-F162 PolarHBondContact N-O 3.2Å; V125-F162 PolarHBondContact O-N 2.99Å
126	F	98.9	Very high	86.3	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119.1	171.2	-69.4	-1	0	0	0	109.5	L76 L77 S78 W79 T161 L202 V203 N204	L76-F126 HydrophobicContact CD1-CD1 3.81Å; L76-F126 HydrophobicContact CD1-CD2 4.1Å; L76-F126 HydrophobicContact CD1-CE1 3.77Å; L76-F126 HydrophobicContact CD1-CE2 4.07Å; L76-F126 HydrophobicContact CD1-CG 3.96Å; L76-F126 HydrophobicContact CD1-CZ 3.9Å; L76-F126 HydrophobicContact CD2-CD2 4.42Å; L76-F126 HydrophobicContact CD2-CE2 3.96Å; L76-F126 HydrophobicContact CD2-CZ 4.19Å; L77-F126 PolarHBondContact O-N 3.14Å; S78-F126 CarbonylContact C-O 3.6Å; S78-F126 VanDerWaalsContact CA-O 3.25Å; S78-F126 WeakPolarHBondContact CA-O 3.48Å; W79-F126 PolarHBondContact N-O 3.45Å; F126-T161 HydrophobicContact CD1-CG2 3.98Å; F126-T161 HydrophobicContact CE1-CG2 4Å; F126-L202 HydrophobicContact CE1-CB 3.9Å; F126-L202 HydrophobicContact CE1-CD1 4.26Å; F126-L202 HydrophobicContact CZ-CB 3.72Å; F126-L202 HydrophobicContact CZ-CD2 4.3Å; F126-L202 HydrophobicContact CZ-CG 4.43Å; F126-V203 WeakPolarHBondContact CE2-O 3.49Å; F126-N204 HydrophobicContact CB-CB 4.09Å; F126-N204 HydrophobicContact CD1-CB 3.78Å; F126-N204 HydrophobicContact CD2-CB 3.75Å; F126-N204 HydrophobicContact CE1-CB 4.11Å; F126-N204 HydrophobicContact CE2-CB 4.08Å; F126-N204 HydrophobicContact CG-CB 3.6Å; F126-N204 HydrophobicContact CZ-CB 4.26Å
127	L	98.9	Very high	89	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	142.8	172.6	-54.6	-175.6	0	0	0	110.5	W79 I81 V125 V130 L138 T159 K160 F162 N204	W79-L127 HydrophobicContact CB-CD2 4.15Å; W79-L127 VanDerWaalsContact O-CA 3.29Å; W79-L127 WeakPolarHBondContact O-CA 3.19Å; I81-L127 HydrophobicContact CD1-CD1 4.28Å; I81-L127 HydrophobicContact CG2-CD2 3.88Å; V125-L127 HydrophobicContact CG1-CD2 3.56Å; V125-L127 HydrophobicContact CG1-CG 3.9Å; L127-V130 HydrophobicContact CB-CG2 3.57Å; L127-V130 HydrophobicContact CD1-CG2 4.38Å; L127-L138 HydrophobicContact CD1-CD1 3.74Å; L127-L138 HydrophobicContact CD1-CD2 4.29Å; L127-T159 CarbonylContact O-C 3.54Å; L127-T159 VanDerWaalsContact O-CA 3.27Å; L127-T159 WeakPolarHBondContact O-CA 3.36Å; L127-K160 HydrophobicContact CB-CB 4.49Å; L127-K160 PolarHBondContact N-O 3.15Å; L127-K160 PolarHBondContact O-N 2.56Å; L127-F162 HydrophobicContact CD1-CD2 4.2Å; L127-F162 HydrophobicContact CD1-CE2 3.75Å; L127-F162 HydrophobicContact CG-CE2 4.46Å; L127-N204 PolarHBondContact N-ND2 2.91Å; L127-N204 PolarHBondContact O-ND2 2.68Å
128	Q	98.9	Very high	91.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	156.8	170.4	-56	80	49.4	0	0	109.8	S78 W79 N80 I81 V130 T159 N204 H206 D242	S78-Q128 PolarHBondContact OG-NE2 2.89Å; W79-Q128 PolarHBondContact O-N 3.28Å; W79-Q128 VanDerWaalsContact O-N 3.08Å; W79-Q128 PolarHBondContact O-OE1 2.95Å; N80-Q128 HydrophobicContact CB-CB 4.07Å; N80-Q128 VanDerWaalsContact N-OE1 3.08Å; I81-Q128 WeakPolarHBondContact CG1-O 3.03Å; I81-Q128 PolarHBondContact N-O 3.25Å; Q128-V130 VanDerWaalsContact C-N 3.26Å; Q128-V130 PolarHBondContact O-N 3.23Å; Q128-T159 HydrophobicContact CG-CG2 4.1Å; Q128-N204 PolarHBondContact NE2-OD1 2.7Å; Q128-H206 HydrophobicContact CB-CB 4.05Å; Q128-H206 HydrophobicContact CG-CB 3.91Å; Q128-D242 HydrophobicContact CG-CB 4.36Å
129	E	98.5	Very high	94.1	Very high	19 Å²	19	27.1 Å²	27.1	9%	0.089	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.9	39.9	-173.5	-57.6	-170	-154.3	0	0	113.4	N80 G83 L84 Y157 F158 H206	N80-E129 PolarHBondContact ND2-OE1 2.95Å; N80-E129 WeakPolarHBondContact OD1-CB 3.42Å; N80-E129 VanDerWaalsContact OD1-CD 3.31Å; N80-E129 VanDerWaalsContact OD1-CG 3.31Å; N80-E129 WeakPolarHBondContact OD1-CG 3.46Å; G83-E129 WeakPolarHBondContact CA-O 3.29Å; G83-E129 PolarHBondContact N-O 3.01Å; L84-E129 HydrophobicContact CD1-CG 4.48Å; E129-Y157 HydrophobicContact CG-CD2 4.22Å; E129-F158 PolarHBondContact N-O 2.79Å; E129-H206 IonicContact OE1-CE1 3.19Å; E129-H206 PolarHBondContact OE1-CE1 2.83Å; E129-H206 VanDerWaalsContact OE1-CE1 3.24Å
130	V	98.7	Very high	96.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	137.8	167.5	-179.8	0	0	0	0	108.3	I81 L127 Q128 N134 L135 Y157 F158 K160	I81-V130 HydrophobicContact CD1-CG2 3.95Å; I81-V130 HydrophobicContact CG1-CG2 4.32Å; L127-V130 HydrophobicContact CB-CG2 3.57Å; L127-V130 HydrophobicContact CD1-CG2 4.38Å; Q128-V130 VanDerWaalsContact C-N 3.26Å; Q128-V130 PolarHBondContact O-N 3.23Å; V130-N134 WeakPolarHBondContact CG1-OD1 3.3Å; V130-L135 HydrophobicContact CG1-CB 3.84Å; V130-L135 HydrophobicContact CG1-CD1 4.09Å; V130-L135 HydrophobicContact CG1-CD2 4.31Å; V130-L135 HydrophobicContact CG1-CG 4.3Å; V130-Y157 CarbonylContact O-C 3.51Å; V130-Y157 WeakPolarHBondContact O-CA 3.35Å; V130-F158 HydrophobicContact CB-CD2 4.08Å; V130-F158 HydrophobicContact CB-CE2 4Å; V130-F158 WeakPolarHBondContact CB-O 3.49Å; V130-F158 HydrophobicContact CG1-CD2 4.21Å; V130-F158 HydrophobicContact CG1-CE2 3.61Å; V130-F158 HydrophobicContact CG1-CZ 4.1Å; V130-F158 PolarHBondContact N-O 2.81Å; V130-F158 PolarHBondContact O-N 3.05Å; V130-K160 HydrophobicContact CB-CB 4.37Å; V130-K160 HydrophobicContact CG1-CB 4.45Å; V130-K160 HydrophobicContact CG2-CB 3.8Å
131	V	98	Very high	97.5	Very high	19 Å²	19	32.2 Å²	32.2	12%	0.115	15%	0.154	C	C	.	.			trans	-126.3	159.8	172.8	-59.4	0	0	0	0	108.4	G83 L84 E133 N134 L135	G83-V131 WeakPolarHBondContact O-CG2 3.48Å; L84-V131 HydrophobicContact CD2-CG1 4.27Å; V131-E133 HydrophobicContact CG2-CB 4.34Å; V131-E133 PolarHBondContact O-N 3.36Å; V131-E133 VanDerWaalsContact O-N 3.14Å; V131-N134 HydrophobicContact CG2-CB 4.31Å; V131-N134 PolarHBondContact N-OD1 3.03Å; V131-N134 PolarHBondContact O-N 2.95Å; V131-N134 PolarHBondContact O-OD1 2.91Å; V131-L135 WeakPolarHBondContact O-CB 3.15Å; V131-L135 PolarHBondContact O-N 3.31Å
132	E	97	Very high	97.9	Very high	99 Å²	99	30.7 Å²	30.7	46%	0.463	15%	0.146	S	C	.	.	H	α-helix	trans	-58	-37	-175	-167.1	58.5	-150.9	0	0	112.6	N134 L135 V136 R139	E132-N134 PolarHBondContact O-N 3.48Å; E132-L135 PolarHBondContact O-N 3.4Å; E132-V136 WeakPolarHBondContact O-CG2 3.5Å; E132-V136 PolarHBondContact O-N 3.48Å; E132-V136 VanDerWaalsContact O-N 3.13Å; E132-R139 IonicContact OE1-NH1 2.89Å; E132-R139 PolarHBondContact OE1-NH1 2.68Å
133	E	97.5	Very high	98	Very high	100 Å²	100	34 Å²	34	47%	0.467	17%	0.169	S	C	.	.	H	α-helix	trans	-61.9	-42.8	179.9	-175.5	172.4	-169.1	0	0	113.4	V89 K90 V131	V89-E133 HydrophobicContact CG1-CG 4.2Å; K90-E133 WeakPolarHBondContact CE-OE1 3.38Å; K90-E133 HydrophobicContact CG-CG 4.41Å; K90-E133 IonicContact NZ-OE1 3.87Å; V131-E133 HydrophobicContact CG2-CB 4.34Å; V131-E133 PolarHBondContact O-N 3.36Å; V131-E133 VanDerWaalsContact O-N 3.14Å
134	N	97.9	Very high	98	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-79	-28.7	177.1	69.9	18.4	0	0	0	112	I81 G83 V89 A93 V130 V131 E132 V136 I137 L138	I81-N134 WeakPolarHBondContact CD1-ND2 3.42Å; G83-N134 VanDerWaalsContact CA-ND2 3.27Å; G83-N134 WeakPolarHBondContact CA-ND2 3.28Å; V89-N134 HydrophobicContact CG2-CB 4.09Å; A93-N134 HydrophobicContact CB-CB 3.68Å; V130-N134 WeakPolarHBondContact CG1-OD1 3.3Å; V131-N134 HydrophobicContact CG2-CB 4.31Å; V131-N134 PolarHBondContact N-OD1 3.03Å; V131-N134 PolarHBondContact O-N 2.95Å; V131-N134 PolarHBondContact O-OD1 2.91Å; E132-N134 PolarHBondContact O-N 3.48Å; N134-V136 VanDerWaalsContact C-N 3.34Å; N134-V136 PolarHBondContact O-N 2.98Å; N134-I137 PolarHBondContact O-N 3.12Å; N134-L138 WeakPolarHBondContact O-CG 3.09Å; N134-L138 PolarHBondContact O-N 2.72Å
135	L	98.1	Very high	97.9	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-64.8	-36.8	178.9	-174.9	55.9	0	0	0	112.4	V130 V131 E132 I137 L138 R139 F158 K160 F162	V130-L135 HydrophobicContact CG1-CB 3.84Å; V130-L135 HydrophobicContact CG1-CD1 4.09Å; V130-L135 HydrophobicContact CG1-CD2 4.31Å; V130-L135 HydrophobicContact CG1-CG 4.3Å; V131-L135 WeakPolarHBondContact O-CB 3.15Å; V131-L135 PolarHBondContact O-N 3.31Å; E132-L135 PolarHBondContact O-N 3.4Å; L135-I137 VanDerWaalsContact C-N 3.26Å; L135-I137 PolarHBondContact O-N 2.75Å; L135-L138 PolarHBondContact O-N 2.83Å; L135-R139 HydrophobicContact CD1-CG 4.29Å; L135-R139 VanDerWaalsContact CD2-CZ 3.47Å; L135-R139 VanDerWaalsContact CD2-NH2 3.29Å; L135-R139 HydrophobicContact CG-CG 4.39Å; L135-R139 WeakPolarHBondContact O-CB 3.43Å; L135-R139 WeakPolarHBondContact O-CG 3.44Å; L135-R139 PolarHBondContact O-N 2.85Å; L135-F158 HydrophobicContact CD2-CE2 3.86Å; L135-F158 HydrophobicContact CD2-CZ 3.83Å; L135-K160 HydrophobicContact CD1-CG 4.35Å; L135-F162 HydrophobicContact CD1-CZ 3.97Å
136	V	98.2	Very high	97.8	Very high	79 Å²	79	40.5 Å²	40.5	48%	0.479	21%	0.207	S	C	.	.	H	α-helix	trans	-55.6	-43.5	174.8	170.2	0	0	0	0	111.4	E132 N134 E140	E132-V136 WeakPolarHBondContact O-CG2 3.5Å; E132-V136 PolarHBondContact O-N 3.48Å; E132-V136 VanDerWaalsContact O-N 3.13Å; N134-V136 VanDerWaalsContact C-N 3.34Å; N134-V136 PolarHBondContact O-N 2.98Å; V136-E140 PolarHBondContact O-N 2.95Å
137	I	98.5	Very high	97.8	Very high	24 Å²	24	43.6 Å²	43.6	12%	0.123	22%	0.224	C	C	.	.	H	α-helix	trans	-73.8	-40.7	-179.2	-64.3	165.3	0	0	0	111.1	K90 A93 N134 L135 R139 E140 K141	K90-I137 HydrophobicContact CB-CD1 3.35Å; K90-I137 HydrophobicContact CD-CD1 4.1Å; K90-I137 HydrophobicContact CG-CD1 3.55Å; A93-I137 HydrophobicContact CB-CB 4.14Å; A93-I137 HydrophobicContact CB-CD1 4.29Å; A93-I137 HydrophobicContact CB-CG2 4.11Å; N134-I137 PolarHBondContact O-N 3.12Å; L135-I137 VanDerWaalsContact C-N 3.26Å; L135-I137 PolarHBondContact O-N 2.75Å; I137-R139 VanDerWaalsContact C-N 3.31Å; I137-R139 PolarHBondContact O-N 3.38Å; I137-E140 PolarHBondContact O-N 2.9Å; I137-K141 HydrophobicContact CG2-CD 4.11Å; I137-K141 WeakPolarHBondContact O-CG 3.39Å; I137-K141 PolarHBondContact O-N 3.13Å
138	L	98.6	Very high	97.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.3	-44.9	175	-69	166.9	0	0	0	110.5	I81 V96 A97 L127 N134 L135 K141 L142 F162	I81-L138 HydrophobicContact CD1-CD1 3.79Å; V96-L138 HydrophobicContact CG1-CD2 4.06Å; A97-L138 HydrophobicContact CB-CD2 4.19Å; L127-L138 HydrophobicContact CD1-CD1 3.74Å; L127-L138 HydrophobicContact CD1-CD2 4.29Å; N134-L138 WeakPolarHBondContact O-CG 3.09Å; N134-L138 PolarHBondContact O-N 2.72Å; L135-L138 PolarHBondContact O-N 2.83Å; L138-K141 PolarHBondContact O-N 3.15Å; L138-L142 HydrophobicContact CB-CD1 4.42Å; L138-L142 HydrophobicContact CD2-CD1 4.25Å; L138-L142 WeakPolarHBondContact O-CB 3.48Å; L138-L142 WeakPolarHBondContact O-CG 3.48Å; L138-L142 PolarHBondContact O-N 2.8Å; L138-F162 HydrophobicContact CB-CZ 4.29Å
139	R	98.2	Very high	97.7	Very high	86 Å²	86	46.5 Å²	46.5	33%	0.325	24%	0.238	S	C	.	.	H	α-helix	trans	-57.6	-54.8	175	-79.5	170.8	176	149.5	2	111.8	E132 L135 I137 K141 L142 S143 E148	E132-R139 IonicContact OE1-NH1 2.89Å; E132-R139 PolarHBondContact OE1-NH1 2.68Å; L135-R139 HydrophobicContact CD1-CG 4.29Å; L135-R139 VanDerWaalsContact CD2-CZ 3.47Å; L135-R139 VanDerWaalsContact CD2-NH2 3.29Å; L135-R139 HydrophobicContact CG-CG 4.39Å; L135-R139 WeakPolarHBondContact O-CB 3.43Å; L135-R139 WeakPolarHBondContact O-CG 3.44Å; L135-R139 PolarHBondContact O-N 2.85Å; I137-R139 VanDerWaalsContact C-N 3.31Å; I137-R139 PolarHBondContact O-N 3.38Å; R139-K141 PolarHBondContact O-N 2.92Å; R139-L142 PolarHBondContact O-N 3.43Å; R139-S143 WeakPolarHBondContact O-CB 3.48Å; R139-S143 PolarHBondContact O-N 2.84Å; R139-S143 PolarHBondContact O-OG 3.13Å; R139-E148 WeakPolarHBondContact CD-OE2 3.18Å; R139-E148 WeakPolarHBondContact CG-OE2 3.34Å; R139-E148 IonicContact CZ-OE1 3.54Å; R139-E148 IonicContact CZ-OE2 3.63Å; R139-E148 IonicContact NE-OE1 3.4Å; R139-E148 PolarHBondContact NE-OE1 3.4Å; R139-E148 IonicContact NE-OE2 2.72Å; R139-E148 PolarHBondContact NE-OE2 3.09Å; R139-E148 IonicContact NH2-OE1 2.81Å; R139-E148 PolarHBondContact NH2-OE1 2.76Å; R139-E148 IonicContact NH2-OE2 3.66Å
140	E	98.3	Very high	97.6	Very high	149 Å²	149	50.1 Å²	50.1	70%	0.696	26%	0.263	S	S	*	.	H	α-helix	trans	-54.2	-42	-178.7	-176.6	-173.9	172.5	0	0	112	V136 I137	V136-E140 PolarHBondContact O-N 2.95Å; I137-E140 PolarHBondContact O-N 2.9Å
141	K	98.1	Very high	97.4	Very high	61 Å²	61	51.9 Å²	51.9	27%	0.265	27%	0.269	S	S	.	.	H	α-helix	trans	-86.8	-32	-174.6	-64.9	-173.1	109.2	-60.2	0	113.9	S94 A97 N98 I137 L138 R139	S94-K141 VanDerWaalsContact OG-CE 3.28Å; S94-K141 WeakPolarHBondContact OG-CE 3.4Å; A97-K141 HydrophobicContact CB-CB 3.73Å; A97-K141 HydrophobicContact CB-CD 3.92Å; A97-K141 HydrophobicContact CB-CG 4.42Å; N98-K141 WeakPolarHBondContact OD1-CE 3.39Å; N98-K141 PolarHBondContact OD1-NZ 2.83Å; I137-K141 HydrophobicContact CG2-CD 4.11Å; I137-K141 WeakPolarHBondContact O-CG 3.39Å; I137-K141 PolarHBondContact O-N 3.13Å; L138-K141 PolarHBondContact O-N 3.15Å; R139-K141 PolarHBondContact O-N 2.92Å
142	L	97.8	Very high	97	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-95.9	-17.2	-173.2	-59.5	179.7	0	0	0	113.5	A97 I100 L101 L138 R139 S144 E145 Y146 F162	A97-L142 HydrophobicContact CB-CD2 4.04Å; A97-L142 HydrophobicContact CB-CG 4.22Å; I100-L142 HydrophobicContact CB-CD2 4.19Å; I100-L142 HydrophobicContact CD1-CD1 4.07Å; I100-L142 HydrophobicContact CG2-CD2 3.93Å; L101-L142 HydrophobicContact CD1-CD2 4.1Å; L101-L142 HydrophobicContact CD2-CD2 4.01Å; L101-L142 HydrophobicContact CG-CD2 3.76Å; L138-L142 HydrophobicContact CB-CD1 4.42Å; L138-L142 HydrophobicContact CD2-CD1 4.25Å; L138-L142 WeakPolarHBondContact O-CB 3.48Å; L138-L142 WeakPolarHBondContact O-CG 3.48Å; L138-L142 PolarHBondContact O-N 2.8Å; R139-L142 PolarHBondContact O-N 3.43Å; L142-S144 PolarHBondContact O-N 3.43Å; L142-E145 PolarHBondContact O-N 3.16Å; L142-Y146 HydrophobicContact CB-CD2 4.22Å; L142-Y146 HydrophobicContact CD2-CD2 4.3Å; L142-Y146 HydrophobicContact CD2-CE2 4.48Å; L142-Y146 PolarHBondContact O-N 3.26Å; L142-F162 HydrophobicContact CD1-CD1 4.32Å; L142-F162 HydrophobicContact CD1-CE1 4.32Å; L142-F162 HydrophobicContact CD1-CG 4.44Å; L142-F162 HydrophobicContact CD1-CZ 4.46Å
143	S	96.9	Very high	96.7	Very high	71 Å²	71	57.4 Å²	57.4	50%	0.497	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.6	-172.2	61.2	0	0	0	0	114.8	R139 E145 R165	R139-S143 WeakPolarHBondContact O-CB 3.48Å; R139-S143 PolarHBondContact O-N 2.84Å; R139-S143 PolarHBondContact O-OG 3.13Å; S143-E145 VanDerWaalsContact C-N 3.3Å; S143-E145 PolarHBondContact O-N 2.82Å; S143-R165 PolarHBondContact O-NH2 2.8Å
144	S	94.5	Very high	96.2	Very high	72 Å²	72	58.7 Å²	58.7	50%	0.503	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-29.4	176.6	57.8	0	0	0	0	112.7	L142 R165	L142-S144 PolarHBondContact O-N 3.43Å; S144-R165 PolarHBondContact O-NH1 2.7Å
145	E	95.3	Very high	96	Very high	62 Å²	62	60.3 Å²	60.3	29%	0.29	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-25.6	-171.1	-56.6	-61.9	155.1	0	0	113.1	L101 M121 L142 S143 H164 R165	L101-E145 HydrophobicContact CD2-CB 4.28Å; L101-E145 HydrophobicContact CD2-CG 3.92Å; M121-E145 HydrophobicContact CE-CB 4.49Å; M121-E145 HydrophobicContact CE-CG 3.74Å; M121-E145 HydrophobicContact SD-CB 3.77Å; M121-E145 HydrophobicContact SD-CG 3.66Å; L142-E145 PolarHBondContact O-N 3.16Å; S143-E145 VanDerWaalsContact C-N 3.3Å; S143-E145 PolarHBondContact O-N 2.82Å; E145-H164 PolarHBondContact O-CD2 3.1Å; E145-H164 IonicContact OE2-NE2 3.34Å; E145-R165 WeakPolarHBondContact O-CB 3.17Å; E145-R165 PolarHBondContact O-N 2.97Å
146	Y	97.8	Very high	95.9	Very high	5 Å²	5	66 Å²	66	2%	0.02	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	142.7	-172.5	-70.6	-94.9	0	0	0	112.6	I100 L101 M121 P122 V125 L142 F162 L163 H164 R165	I100-Y146 HydrophobicContact CG2-CE2 3.79Å; I100-Y146 WeakPolarHBondContact CG2-OH 3.47Å; L101-Y146 HydrophobicContact CD2-CE2 4.24Å; M121-Y146 HydrophobicContact CB-CE2 4.48Å; M121-Y146 WeakPolarHBondContact CB-OH 3.28Å; M121-Y146 HydrophobicContact SD-CE2 4.14Å; P122-Y146 VanDerWaalsContact CD-OH 3.29Å; P122-Y146 WeakPolarHBondContact CD-OH 3.46Å; P122-Y146 WeakPolarHBondContact O-CE1 3.46Å; P122-Y146 PolarHBondContact O-OH 3.14Å; V125-Y146 HydrophobicContact CG2-CE1 3.8Å; L142-Y146 HydrophobicContact CB-CD2 4.22Å; L142-Y146 HydrophobicContact CD2-CD2 4.3Å; L142-Y146 HydrophobicContact CD2-CE2 4.48Å; L142-Y146 PolarHBondContact O-N 3.26Å; Y146-F162 HydrophobicContact CD1-CB 3.82Å; Y146-F162 HydrophobicContact CG-CB 4.25Å; Y146-L163 CarbonylContact C-O 3.5Å; Y146-L163 VanDerWaalsContact CA-O 3.27Å; Y146-L163 WeakPolarHBondContact CA-O 3.37Å; Y146-L163 VanDerWaalsContact CD1-C 3.46Å; Y146-H164 HydrophobicContact CD1-CB 4.25Å; Y146-H164 HydrophobicContact CE1-CB 3.94Å; Y146-R165 PolarHBondContact O-NH2 2.59Å
147	D	98	Very high	95.9	Very high	66 Å²	66	63.7 Å²	63.7	35%	0.353	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.9	163.9	-60.5	-32.5	0	0	0	109.2	F162 L163 R165	D147-F162 WeakPolarHBondContact O-CA 3.26Å; D147-L163 PolarHBondContact N-O 3.34Å; D147-L163 PolarHBondContact O-N 2.86Å; D147-R165 IonicContact OD1-CZ 3.41Å; D147-R165 IonicContact OD1-NE 2.9Å; D147-R165 PolarHBondContact OD1-NE 2.82Å; D147-R165 IonicContact OD1-NH2 3.03Å; D147-R165 PolarHBondContact OD1-NH2 3.38Å; D147-R165 IonicContact OD2-NE 2.71Å
148	E	98.1	Very high	95.9	Very high	54 Å²	54	63.6 Å²	63.6	25%	0.252	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	122.1	174.1	179.9	-170.2	149.1	0	0	109.3	R139 K160 F162	R139-E148 WeakPolarHBondContact CD-OE2 3.18Å; R139-E148 WeakPolarHBondContact CG-OE2 3.34Å; R139-E148 IonicContact CZ-OE1 3.54Å; R139-E148 IonicContact CZ-OE2 3.63Å; R139-E148 IonicContact NE-OE1 3.4Å; R139-E148 PolarHBondContact NE-OE1 3.4Å; R139-E148 IonicContact NE-OE2 2.72Å; R139-E148 PolarHBondContact NE-OE2 3.09Å; R139-E148 IonicContact NH2-OE1 2.81Å; R139-E148 PolarHBondContact NH2-OE1 2.76Å; R139-E148 IonicContact NH2-OE2 3.66Å; E148-K160 HydrophobicContact CG-CD 4.42Å; E148-K160 WeakPolarHBondContact OE1-CE 3.25Å; E148-K160 IonicContact OE1-NZ 3.51Å; E148-K160 PolarHBondContact OE1-NZ 2.79Å; E148-F162 HydrophobicContact CB-CD1 3.97Å; E148-F162 HydrophobicContact CB-CE1 3.78Å; E148-F162 HydrophobicContact CG-CD1 4.35Å; E148-F162 HydrophobicContact CG-CE1 3.86Å; E148-F162 HydrophobicContact CG-CZ 4.29Å
149	L	98.2	Very high	95.9	Very high	7 Å²	7	63.8 Å²	63.8	4%	0.037	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-71.2	127.9	175	-64.2	-166.8	0	0	0	110.5	K160 T161 L163 C170 M188 A190	L149-K160 VanDerWaalsContact O-CE 3.28Å; L149-K160 WeakPolarHBondContact O-CE 3.41Å; L149-K160 PolarHBondContact O-NZ 2.82Å; L149-T161 WeakPolarHBondContact CB-O 3.35Å; L149-T161 HydrophobicContact CD1-CG2 3.73Å; L149-T161 HydrophobicContact CG-CG2 4.24Å; L149-T161 PolarHBondContact N-O 2.9Å; L149-L163 HydrophobicContact CD1-CD1 4.18Å; L149-L163 HydrophobicContact CD1-CG 4.28Å; L149-L163 HydrophobicContact CD2-CD1 3.8Å; L149-L163 HydrophobicContact CD2-CG 4.14Å; L149-L163 HydrophobicContact CG-CD1 4.26Å; L149-L163 HydrophobicContact CG-CG 4.19Å; L149-C170 HydrophobicContact CD2-CB 3.65Å; L149-M188 HydrophobicContact CB-CE 3.29Å; L149-M188 HydrophobicContact CD1-CE 4.28Å; L149-M188 HydrophobicContact CG-CE 4.41Å; L149-A190 HydrophobicContact CD1-CB 3.48Å; L149-A190 VanDerWaalsContact CD1-CB 3.48Å
150	P	95.9	Very high	95.9	Very high	94 Å²	94	59.9 Å²	59.9	61%	0.61	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-66	144.3	179.8	28.1	-34.3	0	0	0	110
151	R	94.4	Very high	95.9	Very high	38 Å²	38	52.8 Å²	52.8	14%	0.143	29%	0.294	C	S	.	.			trans	-151.5	147.7	167.1	69.2	154.6	-62.3	160.1	3.5	110.1	T159 K160 V175 D186 M188	R151-T159 WeakPolarHBondContact CD-O 3.29Å; R151-T159 PolarHBondContact NH1-OG1 3.12Å; R151-K160 HydrophobicContact CG-CD 4.22Å; R151-V175 HydrophobicContact CB-CG2 3.79Å; R151-D186 IonicContact CZ-OD1 2.9Å; R151-D186 IonicContact CZ-OD2 3.17Å; R151-D186 VanDerWaalsContact CZ-OD2 3.26Å; R151-D186 VanDerWaalsContact NH1-CG 3.32Å; R151-D186 IonicContact NH1-OD1 3.41Å; R151-D186 PolarHBondContact NH1-OD1 3.25Å; R151-D186 IonicContact NH1-OD2 2.68Å; R151-D186 PolarHBondContact NH1-OD2 3.33Å; R151-D186 IonicContact NH2-OD2 3.37Å; R151-D186 PolarHBondContact NH2-OD2 2.95Å; R151-M188 HydrophobicContact CB-CE 4.17Å
152	E	89.7	Confident	95.9	Very high	181 Å²	181	50 Å²	50	85%	0.846	28%	0.282	S	S	*	.			trans	-96.6	148.1	167.4	-64.8	-178.4	-175.9	0	0	109.5
153	T	90.8	Very high	95.9	Very high	53 Å²	53	50.1 Å²	50.1	33%	0.325	28%	0.283	S	S	.	.			trans	-162.4	141.1	173.8	-173	0	0	0	0	110.1	C155 F158	T153-C155 WeakPolarHBondContact OG1-CB 3.38Å; T153-C155 PolarHBondContact OG1-N 2.55Å; T153-F158 HydrophobicContact CG2-CB 3.98Å; T153-F158 HydrophobicContact CG2-CD1 3.38Å; T153-F158 HydrophobicContact CG2-CE1 3.92Å; T153-F158 HydrophobicContact CG2-CG 3.71Å
154	S	87.8	Confident	95.9	Very high	127 Å²	127	47.8 Å²	47.8	89%	0.888	26%	0.264	S	S	*	.			trans	-92.7	-5.7	167.5	60.1	0	0	0	0	112.4
155	C	93.4	Very high	95.8	Very high	36 Å²	36	49.3 Å²	49.3	24%	0.243	26%	0.259	C	S	.	.	S	Bend	trans	-78.9	141.9	179.9	-60.6	0	0	0	0	110.1	T153 Y157	T153-C155 WeakPolarHBondContact OG1-CB 3.38Å; T153-C155 PolarHBondContact OG1-N 2.55Å; C155-Y157 WeakPolarHBondContact CB-O 3.45Å; C155-Y157 PolarHBondContact O-N 2.87Å
156	N	94.7	Very high	95.6	Very high	122 Å²	122	52.6 Å²	52.6	65%	0.652	28%	0.278	S	S	*	.	S	Bend	trans	-69.7	-15	176.7	61.5	-31.9	0	0	0	113.4
157	Y	98.2	Very high	95.4	Very high	29 Å²	29	53.2 Å²	53.2	11%	0.114	28%	0.283	C	S	.	.	S	Bend	trans	-136.3	154.2	168.8	75.5	-72.3	0	0	0	110.2	L84 E129 V130 C155 M183 R185	L84-Y157 HydrophobicContact CD1-CD1 4.25Å; L84-Y157 HydrophobicContact CD1-CD2 4.15Å; L84-Y157 HydrophobicContact CD1-CE2 4.38Å; L84-Y157 HydrophobicContact CD1-CG 4.06Å; L84-Y157 HydrophobicContact CD2-CD1 4.05Å; L84-Y157 HydrophobicContact CD2-CG 3.96Å; L84-Y157 HydrophobicContact CG-CG 4.21Å; E129-Y157 HydrophobicContact CG-CD2 4.22Å; V130-Y157 CarbonylContact O-C 3.51Å; V130-Y157 WeakPolarHBondContact O-CA 3.35Å; C155-Y157 WeakPolarHBondContact CB-O 3.45Å; C155-Y157 PolarHBondContact O-N 2.87Å; Y157-M183 WeakPolarHBondContact OH-CB 3.33Å; Y157-M183 PolarHBondContact OH-O 3.39Å; Y157-R185 PolarHBondContact OH-NE 3.2Å; Y157-R185 PolarHBondContact OH-NH2 3.4Å
158	F	98.4	Very high	95.4	Very high	22 Å²	22	50.3 Å²	50.3	10%	0.096	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	173.5	-173	44.3	-91.4	0	0	0	112.1	E129 V130 L135 T153 K160	E129-F158 PolarHBondContact N-O 2.79Å; V130-F158 HydrophobicContact CB-CD2 4.08Å; V130-F158 HydrophobicContact CB-CE2 4Å; V130-F158 WeakPolarHBondContact CB-O 3.49Å; V130-F158 HydrophobicContact CG1-CD2 4.21Å; V130-F158 HydrophobicContact CG1-CE2 3.61Å; V130-F158 HydrophobicContact CG1-CZ 4.1Å; V130-F158 PolarHBondContact N-O 2.81Å; V130-F158 PolarHBondContact O-N 3.05Å; L135-F158 HydrophobicContact CD2-CE2 3.86Å; L135-F158 HydrophobicContact CD2-CZ 3.83Å; T153-F158 HydrophobicContact CG2-CB 3.98Å; T153-F158 HydrophobicContact CG2-CD1 3.38Å; T153-F158 HydrophobicContact CG2-CE1 3.92Å; T153-F158 HydrophobicContact CG2-CG 3.71Å; F158-K160 HydrophobicContact CE2-CD 4.48Å
159	T	98.6	Very high	95.3	Very high	4 Å²	4	52.7 Å²	52.7	3%	0.025	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	150.9	168.1	57	0	0	0	0	110.7	L127 Q128 R151 D186 H206	L127-T159 CarbonylContact O-C 3.54Å; L127-T159 VanDerWaalsContact O-CA 3.27Å; L127-T159 WeakPolarHBondContact O-CA 3.36Å; Q128-T159 HydrophobicContact CG-CG2 4.1Å; R151-T159 WeakPolarHBondContact CD-O 3.29Å; R151-T159 PolarHBondContact NH1-OG1 3.12Å; T159-D186 PolarHBondContact OG1-OD1 3.03Å; T159-H206 HydrophobicContact CG2-CB 4.01Å
160	K	98.6	Very high	95.3	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.017	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	143.2	175.5	-158.1	62	173.3	178.7	0	112.5	L127 V130 L135 E148 L149 R151 F158 F162 N204	L127-K160 HydrophobicContact CB-CB 4.49Å; L127-K160 PolarHBondContact N-O 3.15Å; L127-K160 PolarHBondContact O-N 2.56Å; V130-K160 HydrophobicContact CB-CB 4.37Å; V130-K160 HydrophobicContact CG1-CB 4.45Å; V130-K160 HydrophobicContact CG2-CB 3.8Å; L135-K160 HydrophobicContact CD1-CG 4.35Å; E148-K160 HydrophobicContact CG-CD 4.42Å; E148-K160 WeakPolarHBondContact OE1-CE 3.25Å; E148-K160 IonicContact OE1-NZ 3.51Å; E148-K160 PolarHBondContact OE1-NZ 2.79Å; L149-K160 VanDerWaalsContact O-CE 3.28Å; L149-K160 WeakPolarHBondContact O-CE 3.41Å; L149-K160 PolarHBondContact O-NZ 2.82Å; R151-K160 HydrophobicContact CG-CD 4.22Å; F158-K160 HydrophobicContact CE2-CD 4.48Å; K160-F162 HydrophobicContact CB-CE2 4.25Å; K160-F162 HydrophobicContact CG-CD2 4.47Å; K160-F162 HydrophobicContact CG-CE2 3.77Å; K160-F162 HydrophobicContact CG-CZ 4.1Å; K160-N204 PolarHBondContact O-ND2 3.09Å
161	T	98.8	Very high	95.3	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.1	178.3	-61.2	0	0	0	0	110.3	V125 F126 L149 L163 N204	V125-T161 CarbonylContact O-C 3.55Å; V125-T161 VanDerWaalsContact O-CA 3.26Å; V125-T161 WeakPolarHBondContact O-CA 3.13Å; F126-T161 HydrophobicContact CD1-CG2 3.98Å; F126-T161 HydrophobicContact CE1-CG2 4Å; L149-T161 WeakPolarHBondContact CB-O 3.35Å; L149-T161 HydrophobicContact CD1-CG2 3.73Å; L149-T161 HydrophobicContact CG-CG2 4.24Å; L149-T161 PolarHBondContact N-O 2.9Å; T161-L163 HydrophobicContact CG2-CD2 4.17Å; T161-N204 PolarHBondContact OG1-ND2 2.88Å
162	F	98.6	Very high	95.4	Very high	3 Å²	3	55.6 Å²	55.6	1%	0.013	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.1	171.9	-62	-96.8	0	0	0	109.4	A124 V125 L127 L135 L138 L142 Y146 D147 E148 K160	A124-F162 WeakPolarHBondContact CA-O 3.3Å; V125-F162 HydrophobicContact CB-CB 4.21Å; V125-F162 PolarHBondContact N-O 3.2Å; V125-F162 PolarHBondContact O-N 2.99Å; L127-F162 HydrophobicContact CD1-CD2 4.2Å; L127-F162 HydrophobicContact CD1-CE2 3.75Å; L127-F162 HydrophobicContact CG-CE2 4.46Å; L135-F162 HydrophobicContact CD1-CZ 3.97Å; L138-F162 HydrophobicContact CB-CZ 4.29Å; L142-F162 HydrophobicContact CD1-CD1 4.32Å; L142-F162 HydrophobicContact CD1-CE1 4.32Å; L142-F162 HydrophobicContact CD1-CG 4.44Å; L142-F162 HydrophobicContact CD1-CZ 4.46Å; Y146-F162 HydrophobicContact CD1-CB 3.82Å; Y146-F162 HydrophobicContact CG-CB 4.25Å; D147-F162 WeakPolarHBondContact O-CA 3.26Å; E148-F162 HydrophobicContact CB-CD1 3.97Å; E148-F162 HydrophobicContact CB-CE1 3.78Å; E148-F162 HydrophobicContact CG-CD1 4.35Å; E148-F162 HydrophobicContact CG-CE1 3.86Å; E148-F162 HydrophobicContact CG-CZ 4.29Å; K160-F162 HydrophobicContact CB-CE2 4.25Å; K160-F162 HydrophobicContact CG-CD2 4.47Å; K160-F162 HydrophobicContact CG-CE2 3.77Å; K160-F162 HydrophobicContact CG-CZ 4.1Å
163	L	98.2	Very high	95.8	Very high	2 Å²	2	49 Å²	49	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.3	177.7	-61.4	-175.1	0	0	0	109.9	A124 Y146 D147 L149 T161 R165 A168 C170 V192 L202	A124-L163 HydrophobicContact CB-CD2 3.87Å; Y146-L163 CarbonylContact C-O 3.5Å; Y146-L163 VanDerWaalsContact CA-O 3.27Å; Y146-L163 WeakPolarHBondContact CA-O 3.37Å; Y146-L163 VanDerWaalsContact CD1-C 3.46Å; D147-L163 PolarHBondContact N-O 3.34Å; D147-L163 PolarHBondContact O-N 2.86Å; L149-L163 HydrophobicContact CD1-CD1 4.18Å; L149-L163 HydrophobicContact CD1-CG 4.28Å; L149-L163 HydrophobicContact CD2-CD1 3.8Å; L149-L163 HydrophobicContact CD2-CG 4.14Å; L149-L163 HydrophobicContact CG-CD1 4.26Å; L149-L163 HydrophobicContact CG-CG 4.19Å; T161-L163 HydrophobicContact CG2-CD2 4.17Å; L163-R165 PolarHBondContact O-N 3.11Å; L163-A168 HydrophobicContact CB-CB 3.99Å; L163-A168 HydrophobicContact CD1-CB 4.34Å; L163-A168 HydrophobicContact CD2-CB 4.27Å; L163-A168 HydrophobicContact CG-CB 4.44Å; L163-C170 HydrophobicContact CD1-CB 3.72Å; L163-V192 HydrophobicContact CD1-CG1 4.07Å; L163-V192 HydrophobicContact CD1-CG2 3.77Å; L163-V192 HydrophobicContact CD2-CG2 4.36Å; L163-L202 HydrophobicContact CD2-CD1 3.79Å
164	H	96	Very high	96	Very high	22 Å²	22	52 Å²	52	10%	0.102	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	120.8	176.2	-179.6	-115.1	0	0	0	109.8	T123 E145 Y146 N166 S167 A168	T123-H164 PolarHBondContact O-N 3.44Å; E145-H164 PolarHBondContact O-CD2 3.1Å; E145-H164 IonicContact OE2-NE2 3.34Å; Y146-H164 HydrophobicContact CD1-CB 4.25Å; Y146-H164 HydrophobicContact CE1-CB 3.94Å; H164-N166 VanDerWaalsContact C-N 3.25Å; H164-N166 PolarHBondContact O-N 2.91Å; H164-N166 VanDerWaalsContact O-N 3.11Å; H164-S167 WeakPolarHBondContact ND1-CB 3.43Å; H164-S167 PolarHBondContact ND1-OG 2.96Å; H164-S167 PolarHBondContact O-N 3.17Å; H164-A168 PolarHBondContact O-N 3.4Å
165	R	93.4	Very high	96.4	Very high	104 Å²	104	48.2 Å²	48.2	39%	0.392	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-36.8	-164.9	-173.1	175.2	-61	122.8	6.5	113.9	S143 S144 E145 Y146 D147 L163	S143-R165 PolarHBondContact O-NH2 2.8Å; S144-R165 PolarHBondContact O-NH1 2.7Å; E145-R165 WeakPolarHBondContact O-CB 3.17Å; E145-R165 PolarHBondContact O-N 2.97Å; Y146-R165 PolarHBondContact O-NH2 2.59Å; D147-R165 IonicContact OD1-CZ 3.41Å; D147-R165 IonicContact OD1-NE 2.9Å; D147-R165 PolarHBondContact OD1-NE 2.82Å; D147-R165 IonicContact OD1-NH2 3.03Å; D147-R165 PolarHBondContact OD1-NH2 3.38Å; D147-R165 IonicContact OD2-NE 2.71Å; L163-R165 PolarHBondContact O-N 3.11Å
166	N	91.1	Very high	96.5	Very high	131 Å²	131	48.9 Å²	48.9	70%	0.701	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-3.7	-175.3	-62.8	-27.8	0	0	0	113.4	H164	H164-N166 VanDerWaalsContact C-N 3.25Å; H164-N166 PolarHBondContact O-N 2.91Å; H164-N166 VanDerWaalsContact O-N 3.11Å
167	S	93.4	Very high	96.5	Very high	18 Å²	18	47.5 Å²	47.5	13%	0.126	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-19.1	-170.5	-54.4	0	0	0	0	113.7	H164 L194 F195	H164-S167 WeakPolarHBondContact ND1-CB 3.43Å; H164-S167 PolarHBondContact ND1-OG 2.96Å; H164-S167 PolarHBondContact O-N 3.17Å; S167-L194 WeakPolarHBondContact O-CA 3.47Å; S167-F195 PolarHBondContact O-N 2.98Å; S167-F195 WeakPolarHBondContact OG-CE1 3.22Å
168	A	96.2	Very high	96.4	Very high	5 Å²	5	46.7 Å²	46.7	4%	0.041	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	123.9	-178.3	0	0	0	0	0	110.6	T123 L163 H164 V192 L194	T123-A168 HydrophobicContact CG2-CB 3.9Å; L163-A168 HydrophobicContact CB-CB 3.99Å; L163-A168 HydrophobicContact CD1-CB 4.34Å; L163-A168 HydrophobicContact CD2-CB 4.27Å; L163-A168 HydrophobicContact CG-CB 4.44Å; H164-A168 PolarHBondContact O-N 3.4Å; A168-V192 HydrophobicContact CB-CG1 3.75Å; A168-L194 HydrophobicContact CB-CD2 3.87Å
169	N	97	Very high	95.9	Very high	104 Å²	104	55.2 Å²	55.2	56%	0.556	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.5	172.5	-171.3	-58.2	0	0	0	109.5	V192 T193	N169-V192 CarbonylContact O-C 3.58Å; N169-V192 VanDerWaalsContact O-CA 3.23Å; N169-V192 WeakPolarHBondContact O-CA 3.39Å; N169-V192 WeakPolarHBondContact O-CG1 3.46Å; N169-T193 PolarHBondContact N-O 3.1Å; N169-T193 PolarHBondContact O-N 2.96Å
170	C	98.1	Very high	95.5	Very high	38 Å²	38	57 Å²	57	26%	0.257	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	115.5	177	-172.7	0	0	0	0	110.9	L149 L163 S172	L149-C170 HydrophobicContact CD2-CB 3.65Å; L163-C170 HydrophobicContact CD1-CB 3.72Å; C170-S172 PolarHBondContact SG-O 2.97Å
171	D	96.3	Very high	95.4	Very high	95 Å²	95	58 Å²	58	51%	0.508	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-39.8	177.1	-57.2	-57.1	0	0	0	111.1	Q191 T193	D171-Q191 HydrophobicContact CB-CB 4.33Å; D171-Q191 PolarHBondContact N-O 3.27Å; D171-T193 PolarHBondContact OD2-N 3.47Å; D171-T193 PolarHBondContact OD2-OG1 2.88Å
172	S	96.6	Very high	95.2	Very high	66 Å²	66	62.6 Å²	62.6	46%	0.462	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	153.5	175	57.5	0	0	0	0	111.2	C170 A190 Q191	C170-S172 PolarHBondContact SG-O 2.97Å; S172-A190 CarbonylContact O-C 3.59Å; S172-A190 WeakPolarHBondContact O-CA 3.19Å; S172-Q191 PolarHBondContact N-O 3.46Å; S172-Q191 PolarHBondContact O-N 2.85Å; S172-Q191 WeakPolarHBondContact OG-CG 3.3Å
173	S	97.5	Very high	95.2	Very high	43 Å²	43	64.7 Å²	64.7	30%	0.301	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	151.2	172.9	64.9	0	0	0	0	111.6	V189	S173-V189 CarbonylContact C-O 3.55Å; S173-V189 VanDerWaalsContact CA-O 3.25Å; S173-V189 WeakPolarHBondContact CA-O 3.45Å
174	Q	95.7	Very high	95.1	Very high	116 Å²	116	66.3 Å²	66.3	54%	0.542	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	160.2	177.5	62.8	-178.9	-8.8	0	0	111.1	I176 V189	Q174-I176 HydrophobicContact CG-CG1 4.32Å; Q174-V189 HydrophobicContact CG-CB 4.09Å; Q174-V189 PolarHBondContact N-O 3.19Å; Q174-V189 PolarHBondContact O-N 3.41Å
175	V	96.7	Very high	95.1	Very high	48 Å²	48	66 Å²	66	29%	0.291	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.7	172	178.2	0	0	0	0	108.7	R151 D186 M187	R151-V175 HydrophobicContact CB-CG2 3.79Å; V175-D186 HydrophobicContact CG1-CB 3.67Å; V175-D186 WeakPolarHBondContact CG1-OD2 3.08Å; V175-M187 CarbonylContact C-O 3.6Å; V175-M187 WeakPolarHBondContact CA-O 3.27Å
176	I	94.6	Very high	95.3	Very high	50 Å²	50	61.6 Å²	61.6	26%	0.256	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	110.5	177.3	-53.9	179.4	0	0	0	108.1	Q174 D186 M187 V189	Q174-I176 HydrophobicContact CG-CG1 4.32Å; I176-D186 CarbonylContact O-C 3.53Å; I176-D186 WeakPolarHBondContact O-CA 3.23Å; I176-D186 WeakPolarHBondContact O-CB 3.35Å; I176-M187 HydrophobicContact CB-CE 4.22Å; I176-M187 HydrophobicContact CG2-CE 4.12Å; I176-M187 PolarHBondContact N-O 2.83Å; I176-M187 PolarHBondContact O-N 3.34Å; I176-V189 HydrophobicContact CD1-CG2 3.81Å; I176-V189 HydrophobicContact CG1-CG2 4.23Å
177	P	95.6	Very high	95.6	Very high	93 Å²	93	55.5 Å²	55.5	60%	0.604	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	149.6	178.8	29.2	-34.5	0	0	0	111.3
178	F	95.1	Very high	95.8	Very high	12 Å²	12	54.8 Å²	54.8	5%	0.053	33%	0.325	C	S	.	.			trans	-88	108.7	164.9	-68.8	-61.6	0	0	0	109.5	G180 S181 R185 D186 M187 A205 L207 Q220 T223	F178-G180 PolarHBondContact O-N 3.34Å; F178-G180 VanDerWaalsContact O-N 3.09Å; F178-S181 VanDerWaalsContact O-CB 3.3Å; F178-S181 WeakPolarHBondContact O-CB 3.32Å; F178-S181 PolarHBondContact O-N 3.07Å; F178-R185 WeakPolarHBondContact CB-O 3.16Å; F178-R185 HydrophobicContact CD2-CB 3.89Å; F178-R185 PolarHBondContact N-O 2.91Å; F178-D186 WeakPolarHBondContact CE2-O 3.46Å; F178-M187 HydrophobicContact CE1-CE 3.91Å; F178-M187 HydrophobicContact CE1-CG 3.8Å; F178-M187 HydrophobicContact CE1-SD 3.82Å; F178-M187 HydrophobicContact CE2-CG 3.73Å; F178-M187 HydrophobicContact CZ-CE 4.29Å; F178-M187 HydrophobicContact CZ-CG 3.2Å; F178-M187 HydrophobicContact CZ-SD 3.67Å; F178-A205 HydrophobicContact CE2-CB 4.43Å; F178-L207 HydrophobicContact CE2-CD2 3.61Å; F178-L207 HydrophobicContact CZ-CD2 3.67Å; F178-Q220 HydrophobicContact CB-CG 3.86Å; F178-Q220 HydrophobicContact CD1-CB 3.85Å; F178-Q220 HydrophobicContact CD1-CG 3.74Å; F178-Q220 HydrophobicContact CD2-CB 4.27Å; F178-Q220 HydrophobicContact CD2-CG 3.91Å; F178-Q220 HydrophobicContact CE1-CB 3.76Å; F178-Q220 HydrophobicContact CE1-CG 4.17Å; F178-Q220 HydrophobicContact CE2-CB 4.2Å; F178-Q220 HydrophobicContact CE2-CG 4.34Å; F178-Q220 HydrophobicContact CG-CB 4.1Å; F178-Q220 HydrophobicContact CG-CG 3.58Å; F178-Q220 HydrophobicContact CZ-CB 3.92Å; F178-Q220 HydrophobicContact CZ-CG 4.44Å; F178-T223 HydrophobicContact CD1-CG2 4.48Å; F178-T223 HydrophobicContact CE1-CG2 4.25Å
179	E	87.6	Confident	95.9	Very high	200 Å²	200	54.7 Å²	54.7	94%	0.935	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-33.8	-175.3	-65.6	-175.6	167.7	0	0	114.1
180	G	90.6	Very high	96	Very high	42 Å²	42	49.8 Å²	49.8	43%	0.433	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	3	179	0	0	0	0	0	115.4	F178 V216	F178-G180 PolarHBondContact O-N 3.34Å; F178-G180 VanDerWaalsContact O-N 3.09Å; G180-V216 VanDerWaalsContact O-CG1 3.31Å; G180-V216 WeakPolarHBondContact O-CG1 3.24Å
181	S	96.6	Very high	96	Very high	25 Å²	25	51.2 Å²	51.2	18%	0.175	30%	0.301	C	S	.	.			trans	-73.9	135.1	-177.1	-174.1	0	0	0	0	112.1	F178 M183 G184 R185 E208	F178-S181 VanDerWaalsContact O-CB 3.3Å; F178-S181 WeakPolarHBondContact O-CB 3.32Å; F178-S181 PolarHBondContact O-N 3.07Å; S181-M183 PolarHBondContact OG-N 3.29Å; S181-M183 VanDerWaalsContact OG-N 3.13Å; S181-G184 PolarHBondContact OG-N 3.1Å; S181-R185 VanDerWaalsContact OG-CB 3.32Å; S181-R185 WeakPolarHBondContact OG-CB 3.1Å; S181-R185 VanDerWaalsContact OG-CG 3.28Å; S181-R185 WeakPolarHBondContact OG-CG 3.25Å; S181-R185 PolarHBondContact OG-N 2.97Å; S181-E208 WeakPolarHBondContact CB-OE2 3.45Å; S181-E208 PolarHBondContact OG-OE2 2.94Å
182	C	95.4	Very high	96	Very high	97 Å²	97	46.8 Å²	46.8	66%	0.655	28%	0.277	S	S	*	.	S	Bend	trans	-101.1	0.4	170.1	-57	0	0	0	0	112	E208	C182-E208 PolarHBondContact N-OE1 2.77Å
183	M	96.9	Very high	96	Very high	47 Å²	47	44.5 Å²	44.5	23%	0.232	26%	0.261	C	S	.	.	S	Bend	trans	-120.3	12.5	-174.5	-64.6	177.6	-163.2	0	0	112.2	Y157 S181 R185 E208 S209 Y213	Y157-M183 WeakPolarHBondContact OH-CB 3.33Å; Y157-M183 PolarHBondContact OH-O 3.39Å; S181-M183 PolarHBondContact OG-N 3.29Å; S181-M183 VanDerWaalsContact OG-N 3.13Å; M183-R185 HydrophobicContact CB-CG 4.03Å; M183-R185 PolarHBondContact O-NE 3.38Å; M183-R185 PolarHBondContact SD-NH2 3.09Å; M183-E208 WeakPolarHBondContact CB-OE1 3.42Å; M183-E208 HydrophobicContact CE-CG 4.02Å; M183-E208 WeakPolarHBondContact CG-OE1 3.29Å; M183-E208 PolarHBondContact N-OE1 3.07Å; M183-E208 VanDerWaalsContact N-OE1 3.16Å; M183-E208 HydrophobicContact SD-CG 4.03Å; M183-S209 WeakPolarHBondContact CE-O 3.49Å; M183-S209 PolarHBondContact SD-N 3.04Å; M183-Y213 HydrophobicContact CE-CD2 3.28Å; M183-Y213 HydrophobicContact CE-CE1 4.5Å; M183-Y213 HydrophobicContact CE-CE2 3.18Å; M183-Y213 HydrophobicContact CE-CG 3.97Å
184	G	95.9	Very high	95.9	Very high	37 Å²	37	42.5 Å²	42.5	38%	0.381	25%	0.247	S	C	.	.			trans	70.3	32.2	-180	0	0	0	0	0	113.4	S181	S181-G184 PolarHBondContact OG-N 3.1Å
185	R	97.4	Very high	95.7	Very high	14 Å²	14	38.6 Å²	38.6	5%	0.053	23%	0.228	C	C	.	.			trans	-80.4	143.8	-176.6	-52.5	-44.4	177	78.1	-5.9	111.5	Y157 F178 S181 M183 H206 L207 E208 S209	Y157-R185 PolarHBondContact OH-NE 3.2Å; Y157-R185 PolarHBondContact OH-NH2 3.4Å; F178-R185 WeakPolarHBondContact CB-O 3.16Å; F178-R185 HydrophobicContact CD2-CB 3.89Å; F178-R185 PolarHBondContact N-O 2.91Å; S181-R185 VanDerWaalsContact OG-CB 3.32Å; S181-R185 WeakPolarHBondContact OG-CB 3.1Å; S181-R185 VanDerWaalsContact OG-CG 3.28Å; S181-R185 WeakPolarHBondContact OG-CG 3.25Å; S181-R185 PolarHBondContact OG-N 2.97Å; M183-R185 HydrophobicContact CB-CG 4.03Å; M183-R185 PolarHBondContact O-NE 3.38Å; M183-R185 PolarHBondContact SD-NH2 3.09Å; R185-H206 WeakPolarHBondContact CB-O 3.47Å; R185-H206 WeakPolarHBondContact CD-O 3.45Å; R185-H206 WeakPolarHBondContact CG-O 3.22Å; R185-H206 PolarHBondContact NH1-CD2 3.32Å; R185-H206 PolarHBondContact NH1-NE2 3.03Å; R185-H206 PolarHBondContact NH1-O 3Å; R185-L207 PolarHBondContact NH1-O 3.5Å; R185-E208 VanDerWaalsContact CG-OE2 3.29Å; R185-E208 WeakPolarHBondContact CG-OE2 3.4Å; R185-S209 PolarHBondContact NH1-OG 3.38Å; R185-S209 PolarHBondContact NH2-OG 3.21Å
186	D	97.2	Very high	95.4	Very high	13 Å²	13	39.6 Å²	39.6	7%	0.07	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	175.9	-179.6	57	43.5	0	0	0	111.4	R151 T159 V175 I176 F178	R151-D186 IonicContact CZ-OD1 2.9Å; R151-D186 IonicContact CZ-OD2 3.17Å; R151-D186 VanDerWaalsContact CZ-OD2 3.26Å; R151-D186 VanDerWaalsContact NH1-CG 3.32Å; R151-D186 IonicContact NH1-OD1 3.41Å; R151-D186 PolarHBondContact NH1-OD1 3.25Å; R151-D186 IonicContact NH1-OD2 2.68Å; R151-D186 PolarHBondContact NH1-OD2 3.33Å; R151-D186 IonicContact NH2-OD2 3.37Å; R151-D186 PolarHBondContact NH2-OD2 2.95Å; T159-D186 PolarHBondContact OG1-OD1 3.03Å; V175-D186 HydrophobicContact CG1-CB 3.67Å; V175-D186 WeakPolarHBondContact CG1-OD2 3.08Å; I176-D186 CarbonylContact O-C 3.53Å; I176-D186 WeakPolarHBondContact O-CA 3.23Å; I176-D186 WeakPolarHBondContact O-CB 3.35Å; F178-D186 WeakPolarHBondContact CE2-O 3.46Å
187	M	97.3	Very high	95.1	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.015	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.2	166.3	-61.4	-176.6	-69.6	0	0	109	V175 I176 F178 V189 V203 A205 T223 A224 L227	V175-M187 CarbonylContact C-O 3.6Å; V175-M187 WeakPolarHBondContact CA-O 3.27Å; I176-M187 HydrophobicContact CB-CE 4.22Å; I176-M187 HydrophobicContact CG2-CE 4.12Å; I176-M187 PolarHBondContact N-O 2.83Å; I176-M187 PolarHBondContact O-N 3.34Å; F178-M187 HydrophobicContact CE1-CE 3.91Å; F178-M187 HydrophobicContact CE1-CG 3.8Å; F178-M187 HydrophobicContact CE1-SD 3.82Å; F178-M187 HydrophobicContact CE2-CG 3.73Å; F178-M187 HydrophobicContact CZ-CE 4.29Å; F178-M187 HydrophobicContact CZ-CG 3.2Å; F178-M187 HydrophobicContact CZ-SD 3.67Å; M187-V189 HydrophobicContact CB-CG2 4.13Å; M187-V203 HydrophobicContact CB-CG1 3.92Å; M187-V203 HydrophobicContact CG-CG1 4.16Å; M187-V203 HydrophobicContact SD-CG1 4Å; M187-A205 HydrophobicContact CG-CB 4.18Å; M187-T223 HydrophobicContact CE-CG2 3.98Å; M187-A224 HydrophobicContact SD-CB 3.82Å; M187-L227 HydrophobicContact CE-CD2 4.39Å; M187-L227 HydrophobicContact SD-CD2 4.39Å
188	M	97.8	Very high	94.9	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	110.1	164.4	-175.2	172.5	-169	0	0	108.4	L149 R151 V203 N204	L149-M188 HydrophobicContact CB-CE 3.29Å; L149-M188 HydrophobicContact CD1-CE 4.28Å; L149-M188 HydrophobicContact CG-CE 4.41Å; R151-M188 HydrophobicContact CB-CE 4.17Å; M188-V203 WeakPolarHBondContact O-CA 3.37Å; M188-N204 HydrophobicContact CB-CB 4.38Å; M188-N204 PolarHBondContact N-O 3.11Å; M188-N204 PolarHBondContact O-N 3.41Å
189	V	98	Very high	94.9	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.024	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.2	-176.8	-177.7	0	0	0	0	108.9	S173 Q174 I176 M187 L202 V203 L227	S173-V189 CarbonylContact C-O 3.55Å; S173-V189 VanDerWaalsContact CA-O 3.25Å; S173-V189 WeakPolarHBondContact CA-O 3.45Å; Q174-V189 HydrophobicContact CG-CB 4.09Å; Q174-V189 PolarHBondContact N-O 3.19Å; Q174-V189 PolarHBondContact O-N 3.41Å; I176-V189 HydrophobicContact CD1-CG2 3.81Å; I176-V189 HydrophobicContact CG1-CG2 4.23Å; M187-V189 HydrophobicContact CB-CG2 4.13Å; V189-L202 CarbonylContact C-O 3.56Å; V189-L202 WeakPolarHBondContact CA-O 3.41Å; V189-V203 HydrophobicContact CG1-CG2 4.34Å; V189-V203 HydrophobicContact CG2-CG1 4.14Å; V189-V203 HydrophobicContact CG2-CG2 4.3Å; V189-L227 HydrophobicContact CG2-CD2 3.99Å
190	A	98.4	Very high	95.4	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132	175.6	0	0	0	0	0	110.9	L149 S172 V192 C201 L202	L149-A190 HydrophobicContact CD1-CB 3.48Å; L149-A190 VanDerWaalsContact CD1-CB 3.48Å; S172-A190 CarbonylContact O-C 3.59Å; S172-A190 WeakPolarHBondContact O-CA 3.19Å; A190-V192 HydrophobicContact CB-CG2 3.95Å; A190-C201 CarbonylContact O-C 3.5Å; A190-C201 WeakPolarHBondContact O-CA 3.44Å; A190-L202 HydrophobicContact CB-CB 4.47Å; A190-L202 PolarHBondContact N-O 2.65Å; A190-L202 PolarHBondContact O-N 3.45Å
191	Q	97.9	Very high	95.7	Very high	68 Å²	68	31 Å²	31	32%	0.318	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	123.8	165.5	-56.4	-58.1	-21.3	0	0	108	D171 S172 C201	D171-Q191 HydrophobicContact CB-CB 4.33Å; D171-Q191 PolarHBondContact N-O 3.27Å; S172-Q191 PolarHBondContact N-O 3.46Å; S172-Q191 PolarHBondContact O-N 2.85Å; S172-Q191 WeakPolarHBondContact OG-CG 3.3Å; Q191-C201 PolarHBondContact NE2-SG 3.08Å; Q191-C201 VanDerWaalsContact NE2-SG 3.38Å
192	V	98.1	Very high	95.8	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	134.2	-169.5	-179.7	0	0	0	0	109.8	L163 A168 N169 A190 L194 C200 L202	L163-V192 HydrophobicContact CD1-CG1 4.07Å; L163-V192 HydrophobicContact CD1-CG2 3.77Å; L163-V192 HydrophobicContact CD2-CG2 4.36Å; A168-V192 HydrophobicContact CB-CG1 3.75Å; N169-V192 CarbonylContact O-C 3.58Å; N169-V192 VanDerWaalsContact O-CA 3.23Å; N169-V192 WeakPolarHBondContact O-CA 3.39Å; N169-V192 WeakPolarHBondContact O-CG1 3.46Å; A190-V192 HydrophobicContact CB-CG2 3.95Å; V192-L194 HydrophobicContact CG1-CD2 3.8Å; V192-C200 PolarHBondContact N-O 3.4Å; V192-C200 PolarHBondContact O-N 3.22Å; V192-L202 HydrophobicContact CB-CD1 4.34Å; V192-L202 HydrophobicContact CB-CG 4.48Å; V192-L202 HydrophobicContact CG2-CD1 3.86Å; V192-L202 HydrophobicContact CG2-CG 4.14Å
193	T	96.2	Very high	96	Very high	19 Å²	19	25.2 Å²	25.2	12%	0.117	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	112	169.3	-64.2	0	0	0	0	109.6	N169 D171 H199	N169-T193 PolarHBondContact N-O 3.1Å; N169-T193 PolarHBondContact O-N 2.96Å; D171-T193 PolarHBondContact OD2-N 3.47Å; D171-T193 PolarHBondContact OD2-OG1 2.88Å; T193-H199 PolarHBondContact OG1-ND1 3.36Å; T193-H199 VanDerWaalsContact OG1-ND1 3.1Å
194	L	94.8	Very high	96.1	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.3	179.5	-59	-177.8	0	0	0	110.6	F74 T123 S167 A168 V192 G196 K197 A198 C200 L330	F74-L194 HydrophobicContact CB-CD1 4.09Å; F74-L194 HydrophobicContact CD1-CD1 3.94Å; F74-L194 HydrophobicContact CD2-CD1 3.47Å; F74-L194 VanDerWaalsContact CD2-CD1 3.47Å; F74-L194 HydrophobicContact CD2-CD2 4.02Å; F74-L194 HydrophobicContact CD2-CG 4.39Å; F74-L194 HydrophobicContact CE1-CD1 4.24Å; F74-L194 HydrophobicContact CE2-CD1 3.83Å; F74-L194 HydrophobicContact CE2-CD2 4.04Å; F74-L194 HydrophobicContact CG-CD1 3.56Å; F74-L194 HydrophobicContact CZ-CD1 4.19Å; T123-L194 HydrophobicContact CG2-CD2 3.88Å; S167-L194 WeakPolarHBondContact O-CA 3.47Å; A168-L194 HydrophobicContact CB-CD2 3.87Å; V192-L194 HydrophobicContact CG1-CD2 3.8Å; L194-G196 PolarHBondContact O-N 3Å; L194-K197 PolarHBondContact O-N 3.29Å; L194-A198 HydrophobicContact CB-CB 4.39Å; L194-A198 PolarHBondContact N-O 3.38Å; L194-A198 PolarHBondContact O-N 3.43Å; L194-C200 HydrophobicContact CD1-CB 4.25Å; L194-C200 WeakPolarHBondContact CD1-SG 3.29Å; L194-C200 HydrophobicContact CG-CB 4.28Å; L194-L330 HydrophobicContact CD1-CD1 4.2Å
195	F	91.9	Very high	96.2	Very high	34 Å²	34	21.2 Å²	21.2	15%	0.149	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	26.8	176.3	-54.3	-77.9	0	0	0	114.9	K72 Q73 F74 T123 S167 K197 L362	K72-F195 HydrophobicContact CB-CD1 4.28Å; K72-F195 HydrophobicContact CB-CD2 4.2Å; K72-F195 HydrophobicContact CB-CE1 4.4Å; K72-F195 HydrophobicContact CB-CE2 4.36Å; K72-F195 HydrophobicContact CB-CG 4.16Å; K72-F195 HydrophobicContact CB-CZ 4.46Å; K72-F195 HydrophobicContact CD-CB 3.47Å; K72-F195 VanDerWaalsContact CD-CB 3.47Å; K72-F195 HydrophobicContact CD-CD1 3.56Å; K72-F195 HydrophobicContact CD-CD2 4.37Å; K72-F195 HydrophobicContact CD-CE1 4.36Å; K72-F195 HydrophobicContact CD-CG 3.55Å; K72-F195 HydrophobicContact CG-CD1 4.44Å; K72-F195 HydrophobicContact CG-CG 4.48Å; Q73-F195 WeakPolarHBondContact O-CZ 3.26Å; F74-F195 HydrophobicContact CB-CE2 4.18Å; T123-F195 HydrophobicContact CG2-CE2 4.47Å; T123-F195 HydrophobicContact CG2-CZ 4.36Å; S167-F195 PolarHBondContact O-N 2.98Å; S167-F195 WeakPolarHBondContact OG-CE1 3.22Å; F195-K197 PolarHBondContact O-N 3.38Å; F195-L362 HydrophobicContact CB-CD2 4.32Å; F195-L362 HydrophobicContact CD2-CD2 3.93Å; F195-L362 HydrophobicContact CG-CD2 4.48Å
196	G	90.2	Very high	96.3	Very high	69 Å²	69	20.8 Å²	20.8	71%	0.711	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	67	12.6	-174.7	0	0	0	0	0	114.7	L194	L194-G196 PolarHBondContact O-N 3Å
197	K	87.8	Confident	96.4	Very high	107 Å²	107	20.1 Å²	20.1	47%	0.465	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-52.1	-170.5	-72.2	-176.9	172.3	-177.8	0	113.7	D69 L194 F195 L362	D69-K197 IonicContact OD1-NZ 2.71Å; D69-K197 PolarHBondContact OD1-NZ 3.36Å; D69-K197 IonicContact OD2-NZ 2.69Å; D69-K197 PolarHBondContact OD2-NZ 3Å; L194-K197 PolarHBondContact O-N 3.29Å; F195-K197 PolarHBondContact O-N 3.38Å; K197-L362 HydrophobicContact CB-CD2 4.42Å
198	A	92.4	Very high	96.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.1	-170.8	0	0	0	0	0	112.5	L194 L329 L362	L194-A198 HydrophobicContact CB-CB 4.39Å; L194-A198 PolarHBondContact N-O 3.38Å; L194-A198 PolarHBondContact O-N 3.43Å; A198-L329 HydrophobicContact CB-CD1 4.18Å; A198-L362 HydrophobicContact CB-CD1 3.56Å
199	H	95	Very high	96.4	Very high	105 Å²	105	21.1 Å²	21.1	49%	0.486	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	128.6	172.4	-59.9	-62.9	0	0	0	110.9	T193 V235 N236	T193-H199 PolarHBondContact OG1-ND1 3.36Å; T193-H199 VanDerWaalsContact OG1-ND1 3.1Å; H199-V235 HydrophobicContact CB-CG2 4.28Å; H199-N236 PolarHBondContact O-N 3.04Å; H199-N236 VanDerWaalsContact O-N 3.08Å
200	C	97.1	Very high	96.2	Very high	1 Å²	1	22 Å²	22	1%	0.007	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.5	179.9	-66.6	0	0	0	0	111.4	V192 L194 L202 N236	V192-C200 PolarHBondContact N-O 3.4Å; V192-C200 PolarHBondContact O-N 3.22Å; L194-C200 HydrophobicContact CD1-CB 4.25Å; L194-C200 WeakPolarHBondContact CD1-SG 3.29Å; L194-C200 HydrophobicContact CG-CB 4.28Å; C200-L202 HydrophobicContact CB-CD2 4.45Å; C200-N236 CarbonylContact C-O 3.58Å; C200-N236 WeakPolarHBondContact CA-O 3.36Å
201	C	98.2	Very high	96	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.027	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	118	163.7	-176.7	0	0	0	0	108.3	A190 Q191 V235 N236 I237 L238	A190-C201 CarbonylContact O-C 3.5Å; A190-C201 WeakPolarHBondContact O-CA 3.44Å; Q191-C201 PolarHBondContact NE2-SG 3.08Å; Q191-C201 VanDerWaalsContact NE2-SG 3.38Å; C201-V235 HydrophobicContact CB-CG1 3.95Å; C201-N236 PolarHBondContact N-O 3.34Å; C201-I237 HydrophobicContact CB-CB 3.97Å; C201-I237 HydrophobicContact CB-CD1 3.82Å; C201-I237 HydrophobicContact CB-CG1 3.76Å; C201-I237 CarbonylContact O-C 3.47Å; C201-I237 WeakPolarHBondContact O-CA 3.37Å; C201-I237 WeakPolarHBondContact O-CG1 3.46Å; C201-I237 VanDerWaalsContact SG-CD1 3.57Å; C201-L238 PolarHBondContact O-N 3.07Å
202	L	98.7	Very high	95.8	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.4	179.4	-65.2	-171.2	0	0	0	109.1	F74 A124 F126 L163 V189 A190 V192 C200 L238	F74-L202 HydrophobicContact CZ-CD2 4.31Å; A124-L202 HydrophobicContact CB-CD1 3.69Å; F126-L202 HydrophobicContact CE1-CB 3.9Å; F126-L202 HydrophobicContact CE1-CD1 4.26Å; F126-L202 HydrophobicContact CZ-CB 3.72Å; F126-L202 HydrophobicContact CZ-CD2 4.3Å; F126-L202 HydrophobicContact CZ-CG 4.43Å; L163-L202 HydrophobicContact CD2-CD1 3.79Å; V189-L202 CarbonylContact C-O 3.56Å; V189-L202 WeakPolarHBondContact CA-O 3.41Å; A190-L202 HydrophobicContact CB-CB 4.47Å; A190-L202 PolarHBondContact N-O 2.65Å; A190-L202 PolarHBondContact O-N 3.45Å; V192-L202 HydrophobicContact CB-CD1 4.34Å; V192-L202 HydrophobicContact CB-CG 4.48Å; V192-L202 HydrophobicContact CG2-CD1 3.86Å; V192-L202 HydrophobicContact CG2-CG 4.14Å; C200-L202 HydrophobicContact CB-CD2 4.45Å; L202-L238 HydrophobicContact CD2-CB 4.2Å; L202-L238 HydrophobicContact CD2-CD1 3.99Å
203	V	98.7	Very high	95.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	103.3	-177.5	-171.5	0	0	0	0	109.8	F126 M187 M188 V189 L227 I237 L238 F239 G240	F126-V203 WeakPolarHBondContact CE2-O 3.49Å; M187-V203 HydrophobicContact CB-CG1 3.92Å; M187-V203 HydrophobicContact CG-CG1 4.16Å; M187-V203 HydrophobicContact SD-CG1 4Å; M188-V203 WeakPolarHBondContact O-CA 3.37Å; V189-V203 HydrophobicContact CG1-CG2 4.34Å; V189-V203 HydrophobicContact CG2-CG1 4.14Å; V189-V203 HydrophobicContact CG2-CG2 4.3Å; V203-L227 HydrophobicContact CG1-CD2 4.28Å; V203-L227 HydrophobicContact CG2-CD2 3.92Å; V203-I237 HydrophobicContact CG2-CD1 3.9Å; V203-I237 HydrophobicContact CG2-CG1 4.12Å; V203-L238 PolarHBondContact N-O 3.22Å; V203-F239 HydrophobicContact CB-CB 4.14Å; V203-F239 HydrophobicContact CB-CD2 4.02Å; V203-F239 HydrophobicContact CG1-CD2 3.69Å; V203-F239 HydrophobicContact CG1-CE2 4.4Å; V203-F239 WeakPolarHBondContact O-CA 3.34Å; V203-G240 PolarHBondContact O-N 3.18Å
204	N	98.9	Very high	95.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.5	176.6	-179.7	6	0	0	0	109.9	F126 L127 Q128 K160 T161 M188	F126-N204 HydrophobicContact CB-CB 4.09Å; F126-N204 HydrophobicContact CD1-CB 3.78Å; F126-N204 HydrophobicContact CD2-CB 3.75Å; F126-N204 HydrophobicContact CE1-CB 4.11Å; F126-N204 HydrophobicContact CE2-CB 4.08Å; F126-N204 HydrophobicContact CG-CB 3.6Å; F126-N204 HydrophobicContact CZ-CB 4.26Å; L127-N204 PolarHBondContact N-ND2 2.91Å; L127-N204 PolarHBondContact O-ND2 2.68Å; Q128-N204 PolarHBondContact NE2-OD1 2.7Å; K160-N204 PolarHBondContact O-ND2 3.09Å; T161-N204 PolarHBondContact OG1-ND2 2.88Å; M188-N204 HydrophobicContact CB-CB 4.38Å; M188-N204 PolarHBondContact N-O 3.11Å; M188-N204 PolarHBondContact O-N 3.41Å
205	A	98.7	Very high	95.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	158.7	179.2	0	0	0	0	0	112.8	F178 M187 L207 F239 G240 G241	F178-A205 HydrophobicContact CE2-CB 4.43Å; M187-A205 HydrophobicContact CG-CB 4.18Å; A205-L207 HydrophobicContact CB-CD2 4.16Å; A205-F239 HydrophobicContact CB-CE2 3.74Å; A205-G240 PolarHBondContact N-O 3.46Å; A205-G241 WeakPolarHBondContact O-CA 3.21Å
206	H	98.8	Very high	95.9	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.019	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	97	166.1	-176.1	-178.8	0	0	0	108.8	Q128 E129 T159 R185 S209 D242 N244	Q128-H206 HydrophobicContact CB-CB 4.05Å; Q128-H206 HydrophobicContact CG-CB 3.91Å; E129-H206 IonicContact OE1-CE1 3.19Å; E129-H206 PolarHBondContact OE1-CE1 2.83Å; E129-H206 VanDerWaalsContact OE1-CE1 3.24Å; T159-H206 HydrophobicContact CG2-CB 4.01Å; R185-H206 WeakPolarHBondContact CB-O 3.47Å; R185-H206 WeakPolarHBondContact CD-O 3.45Å; R185-H206 WeakPolarHBondContact CG-O 3.22Å; R185-H206 PolarHBondContact NH1-CD2 3.32Å; R185-H206 PolarHBondContact NH1-NE2 3.03Å; R185-H206 PolarHBondContact NH1-O 3Å; H206-S209 PolarHBondContact NE2-OG 3.03Å; H206-D242 CarbonylContact C-O 3.53Å; H206-D242 VanDerWaalsContact CA-O 3.29Å; H206-D242 WeakPolarHBondContact CA-O 3.25Å; H206-D242 PolarHBondContact CD2-O 3.14Å; H206-D242 IonicContact CD2-OD2 2.71Å; H206-D242 IonicContact CE1-OD2 2.92Å; H206-D242 IonicContact NE2-OD2 3.26Å; H206-D242 PolarHBondContact NE2-OD2 3.27Å; H206-N244 PolarHBondContact CD2-ND2 3.45Å; H206-N244 PolarHBondContact NE2-ND2 3Å; H206-N244 VanDerWaalsContact NE2-ND2 3.13Å
207	L	98.6	Very high	96.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.2	C	C	.	.			trans	-74	154.7	-175.8	-53	-170.8	0	0	0	112.2	F178 R185 A205 S209 R217 Q220 L221 F239 D242 L243 N244	F178-L207 HydrophobicContact CE2-CD2 3.61Å; F178-L207 HydrophobicContact CZ-CD2 3.67Å; R185-L207 PolarHBondContact NH1-O 3.5Å; A205-L207 HydrophobicContact CB-CD2 4.16Å; L207-S209 PolarHBondContact O-N 3.08Å; L207-R217 HydrophobicContact CB-CG 4.04Å; L207-R217 HydrophobicContact CD1-CG 4.26Å; L207-Q220 HydrophobicContact CD2-CB 3.88Å; L207-L221 HydrophobicContact CD1-CB 4.2Å; L207-L221 HydrophobicContact CD1-CD1 4.41Å; L207-F239 HydrophobicContact CD1-CZ 4.46Å; L207-F239 HydrophobicContact CD2-CZ 4.41Å; L207-D242 PolarHBondContact N-O 2.83Å; L207-L243 WeakPolarHBondContact CB-O 3.32Å; L207-L243 HydrophobicContact CD1-CB 3.94Å; L207-L243 HydrophobicContact CD1-CD2 4.21Å; L207-L243 HydrophobicContact CG-CB 4.16Å; L207-L243 HydrophobicContact CG-CD2 3.94Å; L207-N244 PolarHBondContact O-ND2 3.27Å; L207-N244 VanDerWaalsContact O-ND2 3.07Å
208	E	98.3	Very high	96.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.189	C	C	.	.			trans	-45.2	122.5	-171.4	-147.7	74.4	-173.6	0	0	112.1	S181 C182 M183 R185 Y213 V216 R217 Q220	S181-E208 WeakPolarHBondContact CB-OE2 3.45Å; S181-E208 PolarHBondContact OG-OE2 2.94Å; C182-E208 PolarHBondContact N-OE1 2.77Å; M183-E208 WeakPolarHBondContact CB-OE1 3.42Å; M183-E208 HydrophobicContact CE-CG 4.02Å; M183-E208 WeakPolarHBondContact CG-OE1 3.29Å; M183-E208 PolarHBondContact N-OE1 3.07Å; M183-E208 VanDerWaalsContact N-OE1 3.16Å; M183-E208 HydrophobicContact SD-CG 4.03Å; R185-E208 VanDerWaalsContact CG-OE2 3.29Å; R185-E208 WeakPolarHBondContact CG-OE2 3.4Å; E208-Y213 HydrophobicContact CG-CD1 4.34Å; E208-Y213 HydrophobicContact CG-CG 3.96Å; E208-V216 HydrophobicContact CB-CB 4.45Å; E208-V216 HydrophobicContact CB-CG1 4.08Å; E208-V216 HydrophobicContact CG-CB 4.3Å; E208-V216 HydrophobicContact CG-CG1 3.93Å; E208-R217 HydrophobicContact CB-CB 4.2Å; E208-R217 PolarHBondContact O-NH1 3.28Å; E208-Q220 PolarHBondContact OE2-NE2 2.87Å
209	S	97.4	Very high	96.5	Very high	25 Å²	25	45 Å²	45	18%	0.175	21%	0.209	C	C	.	.			trans	-77.9	166.3	-176.1	-51.9	0	0	0	0	111.6	M183 R185 H206 L207 Y213 N244	M183-S209 WeakPolarHBondContact CE-O 3.49Å; M183-S209 PolarHBondContact SD-N 3.04Å; R185-S209 PolarHBondContact NH1-OG 3.38Å; R185-S209 PolarHBondContact NH2-OG 3.21Å; H206-S209 PolarHBondContact NE2-OG 3.03Å; L207-S209 PolarHBondContact O-N 3.08Å; S209-Y213 WeakPolarHBondContact O-CD2 3.3Å; S209-N244 PolarHBondContact OG-ND2 3.5Å; S209-N244 VanDerWaalsContact OG-ND2 3.14Å
210	G	94	Very high	96.5	Very high	23 Å²	23	40.2 Å²	40.2	24%	0.237	19%	0.187	C	C	.	.	S	Bend	trans	80.4	149.1	175.2	0	0	0	0	0	115.1	R217	G210-R217 PolarHBondContact O-NH1 2.78Å; G210-R217 PolarHBondContact O-NH2 2.94Å
211	R	93.2	Very high	96.4	Very high	208 Å²	208	40.2 Å²	40.2	79%	0.785	19%	0.187	S	C	*	.	S	Bend	trans	-68.7	-37.3	-176.1	-176.1	179	176.8	-177	-1.5	112	Y213 S214	R211-Y213 PolarHBondContact O-N 3.28Å; R211-S214 WeakPolarHBondContact O-CB 3.41Å; R211-S214 PolarHBondContact O-N 2.84Å
212	Q	95.2	Very high	96	Very high	146 Å²	146	41.8 Å²	41.8	68%	0.682	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-26	-177.9	68.2	-81.1	25.5	0	0	113.1	S214	Q212-S214 VanDerWaalsContact C-N 3.28Å; Q212-S214 PolarHBondContact O-N 2.84Å
213	Y	96.5	Very high	95.7	Very high	79 Å²	79	45.1 Å²	45.1	31%	0.31	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	22.5	179.7	-59.2	-75.3	0	0	0	113.6	M183 E208 S209 R211 K215 V216 R217	M183-Y213 HydrophobicContact CE-CD2 3.28Å; M183-Y213 HydrophobicContact CE-CE1 4.5Å; M183-Y213 HydrophobicContact CE-CE2 3.18Å; M183-Y213 HydrophobicContact CE-CG 3.97Å; E208-Y213 HydrophobicContact CG-CD1 4.34Å; E208-Y213 HydrophobicContact CG-CG 3.96Å; S209-Y213 WeakPolarHBondContact O-CD2 3.3Å; R211-Y213 PolarHBondContact O-N 3.28Å; Y213-K215 VanDerWaalsContact C-N 3.26Å; Y213-K215 PolarHBondContact O-N 3.25Å; Y213-V216 PolarHBondContact O-N 3.31Å; Y213-R217 WeakPolarHBondContact O-CB 3.31Å; Y213-R217 PolarHBondContact O-N 2.97Å
214	S	95.1	Very high	95.4	Very high	26 Å²	26	45.1 Å²	45.1	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-52.4	-41.3	178.9	-177.6	0	0	0	0	113.4	R211 Q212 K218 E249	R211-S214 WeakPolarHBondContact O-CB 3.41Å; R211-S214 PolarHBondContact O-N 2.84Å; Q212-S214 VanDerWaalsContact C-N 3.28Å; Q212-S214 PolarHBondContact O-N 2.84Å; S214-K218 WeakPolarHBondContact O-CB 3.29Å; S214-K218 VanDerWaalsContact O-CG 3.28Å; S214-K218 WeakPolarHBondContact O-CG 3.36Å; S214-K218 PolarHBondContact O-N 2.84Å; S214-E249 WeakPolarHBondContact CA-OE1 3.26Å; S214-E249 WeakPolarHBondContact CB-OE1 3.31Å; S214-E249 PolarHBondContact OG-OE1 3.14Å
215	K	94	Very high	95.1	Very high	153 Å²	153	45.3 Å²	45.3	67%	0.665	22%	0.219	S	C	*	.	H	α-helix	trans	-63.1	-53.2	179.6	-175.2	-178.2	172.4	-171.3	0	111.3	Y213 R217 K218 E219	Y213-K215 VanDerWaalsContact C-N 3.26Å; Y213-K215 PolarHBondContact O-N 3.25Å; K215-R217 PolarHBondContact O-N 3.13Å; K215-K218 WeakPolarHBondContact O-CB 3.48Å; K215-K218 PolarHBondContact O-N 3.47Å; K215-E219 WeakPolarHBondContact CE-OE1 3.29Å; K215-E219 PolarHBondContact O-N 3.19Å
216	V	96.1	Very high	94.6	Very high	25 Å²	25	47.5 Å²	47.5	15%	0.152	24%	0.235	C	C	.	.	H	α-helix	trans	-59.1	-46.7	178.8	177.3	0	0	0	0	110.8	G180 E208 Y213 K218 E219 Q220	G180-V216 VanDerWaalsContact O-CG1 3.31Å; G180-V216 WeakPolarHBondContact O-CG1 3.24Å; E208-V216 HydrophobicContact CB-CB 4.45Å; E208-V216 HydrophobicContact CB-CG1 4.08Å; E208-V216 HydrophobicContact CG-CB 4.3Å; E208-V216 HydrophobicContact CG-CG1 3.93Å; Y213-V216 PolarHBondContact O-N 3.31Å; V216-K218 VanDerWaalsContact C-N 3.3Å; V216-K218 PolarHBondContact O-N 3.45Å; V216-E219 WeakPolarHBondContact O-CB 3.35Å; V216-E219 PolarHBondContact O-N 2.82Å; V216-E219 VanDerWaalsContact O-N 3.12Å; V216-Q220 HydrophobicContact CG1-CG 4.35Å; V216-Q220 VanDerWaalsContact O-CG 3.28Å; V216-Q220 WeakPolarHBondContact O-CG 3.46Å; V216-Q220 PolarHBondContact O-N 3.08Å
217	R	96.1	Very high	94.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.4	-38.1	177.7	176.5	170.5	55.3	-99.3	2.8	113.1	L207 E208 G210 Y213 K215 L221 L243 N244 L245 E249	L207-R217 HydrophobicContact CB-CG 4.04Å; L207-R217 HydrophobicContact CD1-CG 4.26Å; E208-R217 HydrophobicContact CB-CB 4.2Å; E208-R217 PolarHBondContact O-NH1 3.28Å; G210-R217 PolarHBondContact O-NH1 2.78Å; G210-R217 PolarHBondContact O-NH2 2.94Å; Y213-R217 WeakPolarHBondContact O-CB 3.31Å; Y213-R217 PolarHBondContact O-N 2.97Å; K215-R217 PolarHBondContact O-N 3.13Å; R217-L221 WeakPolarHBondContact O-CB 3.43Å; R217-L221 PolarHBondContact O-N 2.8Å; R217-L243 WeakPolarHBondContact CD-O 3.44Å; R217-N244 WeakPolarHBondContact CD-O 3.21Å; R217-N244 PolarHBondContact NE-O 2.86Å; R217-N244 VanDerWaalsContact NE-O 3.12Å; R217-L245 HydrophobicContact CG-CD2 3.98Å; R217-E249 IonicContact CZ-OE1 2.91Å; R217-E249 IonicContact CZ-OE2 3.38Å; R217-E249 IonicContact NE-OE1 3.31Å; R217-E249 PolarHBondContact NE-OE1 3.3Å; R217-E249 IonicContact NE-OE2 3.76Å; R217-E249 PolarHBondContact NE-OE2 3.05Å; R217-E249 IonicContact NH2-OE1 2.68Å; R217-E249 PolarHBondContact NH2-OE1 3.41Å; R217-E249 IonicContact NH2-OE2 3.93Å; R217-E249 PolarHBondContact NH2-OE2 3.27Å
218	K	94.1	Very high	93.9	Very high	54 Å²	54	49.7 Å²	49.7	24%	0.235	25%	0.247	C	C	.	.	H	α-helix	trans	-67.2	-41.9	174.5	-75.9	175.2	-175.5	-176.2	0	111.9	S214 K215 V216 Q220 L221 S222 E249 H253	S214-K218 WeakPolarHBondContact O-CB 3.29Å; S214-K218 VanDerWaalsContact O-CG 3.28Å; S214-K218 WeakPolarHBondContact O-CG 3.36Å; S214-K218 PolarHBondContact O-N 2.84Å; K215-K218 WeakPolarHBondContact O-CB 3.48Å; K215-K218 PolarHBondContact O-N 3.47Å; V216-K218 VanDerWaalsContact C-N 3.3Å; V216-K218 PolarHBondContact O-N 3.45Å; K218-Q220 PolarHBondContact O-N 3.18Å; K218-L221 PolarHBondContact O-N 3.38Å; K218-S222 PolarHBondContact O-N 3.46Å; K218-E249 HydrophobicContact CG-CB 4.19Å; K218-H253 WeakPolarHBondContact CB-NE2 3.49Å; K218-H253 PolarHBondContact O-CE1 2.81Å; K218-H253 PolarHBondContact O-NE2 2.89Å
219	E	93.4	Very high	93.4	Very high	91 Å²	91	55.4 Å²	55.4	43%	0.425	27%	0.268	S	S	.	.	H	α-helix	trans	-60.8	-45.7	175.4	-70.5	164.6	-178.7	0	0	110.8	K215 V216 L221 S222 T223	K215-E219 WeakPolarHBondContact CE-OE1 3.29Å; K215-E219 PolarHBondContact O-N 3.19Å; V216-E219 WeakPolarHBondContact O-CB 3.35Å; V216-E219 PolarHBondContact O-N 2.82Å; V216-E219 VanDerWaalsContact O-N 3.12Å; E219-L221 PolarHBondContact O-N 2.76Å; E219-S222 VanDerWaalsContact O-CB 3.27Å; E219-S222 WeakPolarHBondContact O-CB 3.13Å; E219-S222 PolarHBondContact O-N 2.84Å; E219-S222 VanDerWaalsContact O-N 3.14Å; E219-T223 PolarHBondContact O-N 3.47Å; E219-T223 PolarHBondContact O-OG1 2.97Å
220	Q	95.2	Very high	93	Very high	5 Å²	5	58 Å²	58	2%	0.023	29%	0.291	C	S	.	.	H	α-helix	trans	-59.6	-44.4	174.3	-64.2	170.6	-15.5	0	0	112.4	F178 L207 E208 V216 K218 S222 T223 A224	F178-Q220 HydrophobicContact CB-CG 3.86Å; F178-Q220 HydrophobicContact CD1-CB 3.85Å; F178-Q220 HydrophobicContact CD1-CG 3.74Å; F178-Q220 HydrophobicContact CD2-CB 4.27Å; F178-Q220 HydrophobicContact CD2-CG 3.91Å; F178-Q220 HydrophobicContact CE1-CB 3.76Å; F178-Q220 HydrophobicContact CE1-CG 4.17Å; F178-Q220 HydrophobicContact CE2-CB 4.2Å; F178-Q220 HydrophobicContact CE2-CG 4.34Å; F178-Q220 HydrophobicContact CG-CB 4.1Å; F178-Q220 HydrophobicContact CG-CG 3.58Å; F178-Q220 HydrophobicContact CZ-CB 3.92Å; F178-Q220 HydrophobicContact CZ-CG 4.44Å; L207-Q220 HydrophobicContact CD2-CB 3.88Å; E208-Q220 PolarHBondContact OE2-NE2 2.87Å; V216-Q220 HydrophobicContact CG1-CG 4.35Å; V216-Q220 VanDerWaalsContact O-CG 3.28Å; V216-Q220 WeakPolarHBondContact O-CG 3.46Å; V216-Q220 PolarHBondContact O-N 3.08Å; K218-Q220 PolarHBondContact O-N 3.18Å; Q220-S222 VanDerWaalsContact C-N 3.3Å; Q220-S222 PolarHBondContact O-N 3.36Å; Q220-T223 WeakPolarHBondContact O-CB 3.17Å; Q220-T223 PolarHBondContact O-N 2.96Å; Q220-A224 PolarHBondContact O-N 3Å
221	L	94.9	Very high	92.7	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.6	-41.5	175	-178.2	63.8	0	0	0	111.6	L207 R217 K218 E219 T223 A224 F225 F239 L245 V250 Y321	L207-L221 HydrophobicContact CD1-CB 4.2Å; L207-L221 HydrophobicContact CD1-CD1 4.41Å; R217-L221 WeakPolarHBondContact O-CB 3.43Å; R217-L221 PolarHBondContact O-N 2.8Å; K218-L221 PolarHBondContact O-N 3.38Å; E219-L221 PolarHBondContact O-N 2.76Å; L221-T223 VanDerWaalsContact C-N 3.34Å; L221-A224 PolarHBondContact O-N 3.45Å; L221-F225 HydrophobicContact CD1-CD1 4.45Å; L221-F225 HydrophobicContact CD1-CD2 4.29Å; L221-F225 HydrophobicContact CD1-CE1 3.96Å; L221-F225 HydrophobicContact CD1-CE2 3.78Å; L221-F225 HydrophobicContact CD1-CZ 3.59Å; L221-F225 HydrophobicContact CD2-CE2 3.95Å; L221-F225 HydrophobicContact CD2-CZ 4.37Å; L221-F225 HydrophobicContact CG-CD2 4.05Å; L221-F225 HydrophobicContact CG-CE2 3.71Å; L221-F225 HydrophobicContact CG-CZ 4.07Å; L221-F225 WeakPolarHBondContact O-CG 3.48Å; L221-F225 PolarHBondContact O-N 2.99Å; L221-F239 HydrophobicContact CD1-CE1 3.86Å; L221-L245 HydrophobicContact CD1-CD1 4.03Å; L221-L245 HydrophobicContact CD2-CD1 3.99Å; L221-L245 HydrophobicContact CD2-CD2 3.81Å; L221-V250 HydrophobicContact CD2-CG2 4.44Å; L221-Y321 HydrophobicContact CD1-CE2 4.24Å
222	S	90.4	Very high	92.5	Very high	38 Å²	38	54 Å²	54	27%	0.266	28%	0.283	S	S	.	.	H	α-helix	trans	-61	-42.9	175.9	-162.2	0	0	0	0	112.1	K218 E219 Q220 F225 S226	K218-S222 PolarHBondContact O-N 3.46Å; E219-S222 VanDerWaalsContact O-CB 3.27Å; E219-S222 WeakPolarHBondContact O-CB 3.13Å; E219-S222 PolarHBondContact O-N 2.84Å; E219-S222 VanDerWaalsContact O-N 3.14Å; Q220-S222 VanDerWaalsContact C-N 3.3Å; Q220-S222 PolarHBondContact O-N 3.36Å; S222-F225 PolarHBondContact O-N 3.24Å; S222-S226 WeakPolarHBondContact O-CB 3.41Å; S222-S226 PolarHBondContact O-N 2.77Å; S222-S226 PolarHBondContact O-OG 3.32Å
223	T	91.1	Very high	92.3	Very high	70 Å²	70	51 Å²	51	43%	0.429	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-48.3	176.7	-60.2	0	0	0	0	110.7	F178 M187 E219 Q220 L221 F225 S226 L227	F178-T223 HydrophobicContact CD1-CG2 4.48Å; F178-T223 HydrophobicContact CE1-CG2 4.25Å; M187-T223 HydrophobicContact CE-CG2 3.98Å; E219-T223 PolarHBondContact O-N 3.47Å; E219-T223 PolarHBondContact O-OG1 2.97Å; Q220-T223 WeakPolarHBondContact O-CB 3.17Å; Q220-T223 PolarHBondContact O-N 2.96Å; L221-T223 VanDerWaalsContact C-N 3.34Å; T223-F225 PolarHBondContact O-N 2.78Å; T223-S226 WeakPolarHBondContact O-CB 3.25Å; T223-S226 PolarHBondContact O-N 2.65Å; T223-S226 VanDerWaalsContact O-N 3.15Å; T223-L227 PolarHBondContact O-N 2.95Å
224	A	94.2	Very high	92.2	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-43.1	177.6	0	0	0	0	0	112.5	M187 Q220 L221 S226 L227 M228 F239	M187-A224 HydrophobicContact SD-CB 3.82Å; Q220-A224 PolarHBondContact O-N 3Å; L221-A224 PolarHBondContact O-N 3.45Å; A224-S226 VanDerWaalsContact C-N 3.31Å; A224-S226 PolarHBondContact O-N 2.92Å; A224-L227 WeakPolarHBondContact O-CB 3.39Å; A224-L227 PolarHBondContact O-N 2.83Å; A224-M228 WeakPolarHBondContact O-CG 3.36Å; A224-M228 PolarHBondContact O-N 3.1Å; A224-F239 HydrophobicContact CB-CD1 3.85Å; A224-F239 HydrophobicContact CB-CD2 3.95Å; A224-F239 HydrophobicContact CB-CE1 3.49Å; A224-F239 VanDerWaalsContact CB-CE1 3.49Å; A224-F239 HydrophobicContact CB-CE2 3.56Å; A224-F239 HydrophobicContact CB-CG 4.08Å; A224-F239 HydrophobicContact CB-CZ 3.32Å
225	F	91.6	Very high	92.2	Very high	3 Å²	3	49 Å²	49	1%	0.013	28%	0.281	C	S	.	.	H	α-helix	trans	-66.9	-31	175.4	-76.1	-15.7	0	0	0	113.7	L221 S222 T223 M228 R229 F239 L272 P273 I276 Y321	L221-F225 HydrophobicContact CD1-CD1 4.45Å; L221-F225 HydrophobicContact CD1-CD2 4.29Å; L221-F225 HydrophobicContact CD1-CE1 3.96Å; L221-F225 HydrophobicContact CD1-CE2 3.78Å; L221-F225 HydrophobicContact CD1-CZ 3.59Å; L221-F225 HydrophobicContact CD2-CE2 3.95Å; L221-F225 HydrophobicContact CD2-CZ 4.37Å; L221-F225 HydrophobicContact CG-CD2 4.05Å; L221-F225 HydrophobicContact CG-CE2 3.71Å; L221-F225 HydrophobicContact CG-CZ 4.07Å; L221-F225 WeakPolarHBondContact O-CG 3.48Å; L221-F225 PolarHBondContact O-N 2.99Å; S222-F225 PolarHBondContact O-N 3.24Å; T223-F225 PolarHBondContact O-N 2.78Å; F225-M228 HydrophobicContact CD1-SD 3.87Å; F225-M228 HydrophobicContact CE1-SD 4.3Å; F225-M228 PolarHBondContact O-N 2.84Å; F225-R229 WeakPolarHBondContact O-CG 3.29Å; F225-R229 PolarHBondContact O-N 3.25Å; F225-F239 HydrophobicContact CD1-CD1 4.46Å; F225-F239 HydrophobicContact CE1-CD1 4.29Å; F225-F239 HydrophobicContact CE1-CE1 4.47Å; F225-L272 HydrophobicContact CE1-CD2 4.32Å; F225-L272 HydrophobicContact CE2-CD2 3.85Å; F225-L272 HydrophobicContact CZ-CD2 3.42Å; F225-L272 VanDerWaalsContact CZ-CD2 3.42Å; F225-P273 HydrophobicContact CB-CG 3.97Å; F225-P273 HydrophobicContact CD2-CG 3.75Å; F225-P273 HydrophobicContact CE2-CG 4.43Å; F225-P273 HydrophobicContact CG-CG 3.93Å; F225-I276 HydrophobicContact CB-CD1 4.41Å; F225-I276 HydrophobicContact CD1-CD1 3.96Å; F225-I276 HydrophobicContact CE1-CG2 4.27Å; F225-I276 HydrophobicContact CG-CD1 4.3Å; F225-Y321 HydrophobicContact CE1-CD1 4.37Å; F225-Y321 AromaticContact CE1-CD2 3.71Å; F225-Y321 HydrophobicContact CE1-CD2 3.71Å; F225-Y321 HydrophobicContact CE1-CE2 4.07Å; F225-Y321 AromaticContact CE1-CG 3.85Å; F225-Y321 HydrophobicContact CE1-CG 3.85Å; F225-Y321 HydrophobicContact CZ-CD1 4.37Å; F225-Y321 HydrophobicContact CZ-CD2 4.05Å; F225-Y321 HydrophobicContact CZ-CE1 4.35Å; F225-Y321 AromaticContact CZ-CE2 3.95Å; F225-Y321 HydrophobicContact CZ-CE2 3.95Å; F225-Y321 HydrophobicContact CZ-CG 4.24Å
226	S	88.7	Confident	92.3	Very high	47 Å²	47	41.7 Å²	41.7	33%	0.329	25%	0.249	S	C	.	.	H	α-helix	trans	-67.7	-41.6	174.1	-57.2	0	0	0	0	111	S222 T223 A224 M228 R229 A230	S222-S226 WeakPolarHBondContact O-CB 3.41Å; S222-S226 PolarHBondContact O-N 2.77Å; S222-S226 PolarHBondContact O-OG 3.32Å; T223-S226 WeakPolarHBondContact O-CB 3.25Å; T223-S226 PolarHBondContact O-N 2.65Å; T223-S226 VanDerWaalsContact O-N 3.15Å; A224-S226 VanDerWaalsContact C-N 3.31Å; A224-S226 PolarHBondContact O-N 2.92Å; S226-M228 VanDerWaalsContact C-N 3.35Å; S226-M228 PolarHBondContact O-N 3.3Å; S226-R229 PolarHBondContact O-N 3.45Å; S226-R229 PolarHBondContact OG-NH2 3.42Å; S226-A230 WeakPolarHBondContact O-CB 3.26Å; S226-A230 PolarHBondContact O-N 3.28Å
227	L	90	Very high	92.3	Very high	50 Å²	50	40.5 Å²	40.5	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-57.3	-46.6	170.9	-179	71.4	0	0	0	111.2	M187 V189 V203 T223 A224 R229 A230 A231 I237	M187-L227 HydrophobicContact CE-CD2 4.39Å; M187-L227 HydrophobicContact SD-CD2 4.39Å; V189-L227 HydrophobicContact CG2-CD2 3.99Å; V203-L227 HydrophobicContact CG1-CD2 4.28Å; V203-L227 HydrophobicContact CG2-CD2 3.92Å; T223-L227 PolarHBondContact O-N 2.95Å; A224-L227 WeakPolarHBondContact O-CB 3.39Å; A224-L227 PolarHBondContact O-N 2.83Å; L227-R229 PolarHBondContact O-N 2.95Å; L227-A230 PolarHBondContact O-N 2.89Å; L227-A231 PolarHBondContact O-N 2.92Å; L227-A231 VanDerWaalsContact O-N 3.11Å; L227-I237 HydrophobicContact CG-CD1 4.37Å
228	M	93	Very high	92.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.8	-42.2	177.2	-66.5	-179.1	81.1	0	0	113.2	A224 F225 S226 A230 A231 I237 F239 I276 K323	A224-M228 WeakPolarHBondContact O-CG 3.36Å; A224-M228 PolarHBondContact O-N 3.1Å; F225-M228 HydrophobicContact CD1-SD 3.87Å; F225-M228 HydrophobicContact CE1-SD 4.3Å; F225-M228 PolarHBondContact O-N 2.84Å; S226-M228 VanDerWaalsContact C-N 3.35Å; S226-M228 PolarHBondContact O-N 3.3Å; M228-A230 VanDerWaalsContact C-N 3.34Å; M228-A231 PolarHBondContact O-N 3.48Å; M228-I237 HydrophobicContact CB-CG2 4.04Å; M228-I237 HydrophobicContact CE-CG2 4.16Å; M228-I237 HydrophobicContact CG-CD1 4.11Å; M228-I237 HydrophobicContact CG-CG1 4.17Å; M228-I237 HydrophobicContact CG-CG2 4.11Å; M228-F239 HydrophobicContact CE-CB 4.24Å; M228-F239 HydrophobicContact CG-CB 4.15Å; M228-F239 HydrophobicContact SD-CB 3.57Å; M228-F239 VanDerWaalsContact SD-CB 3.57Å; M228-F239 HydrophobicContact SD-CD1 4.09Å; M228-F239 HydrophobicContact SD-CG 4.24Å; M228-I276 HydrophobicContact CB-CD1 3.76Å; M228-I276 HydrophobicContact CE-CD1 4.33Å; M228-I276 HydrophobicContact CE-CG1 4.37Å; M228-I276 HydrophobicContact CE-CG2 3.92Å; M228-I276 HydrophobicContact SD-CD1 3.96Å; M228-I276 HydrophobicContact SD-CG2 4.24Å; M228-K323 HydrophobicContact CE-CB 4.22Å; M228-K323 WeakPolarHBondContact O-CD 3.43Å; M228-K323 PolarHBondContact O-NZ 2.83Å
229	R	88	Confident	92.7	Very high	120 Å²	120	38 Å²	38	45%	0.453	23%	0.231	S	C	.	.	H	α-helix	trans	-64.4	-41.1	177.1	-74.7	-168.1	-57.7	-94.1	-2.5	111.8	F225 S226 L227 A231 P273 K323	F225-R229 WeakPolarHBondContact O-CG 3.29Å; F225-R229 PolarHBondContact O-N 3.25Å; S226-R229 PolarHBondContact O-N 3.45Å; S226-R229 PolarHBondContact OG-NH2 3.42Å; L227-R229 PolarHBondContact O-N 2.95Å; R229-A231 VanDerWaalsContact C-N 3.3Å; R229-A231 PolarHBondContact O-N 3.13Å; R229-P273 HydrophobicContact CG-CB 4.35Å; R229-K323 PolarHBondContact O-NZ 3.13Å
230	A	87.7	Confident	92.9	Very high	80 Å²	80	33.7 Å²	33.7	66%	0.661	21%	0.211	S	C	*	.	H	α-helix	trans	-71.6	-19.7	-178.4	0	0	0	0	0	114.2	S226 L227 M228	S226-A230 WeakPolarHBondContact O-CB 3.26Å; S226-A230 PolarHBondContact O-N 3.28Å; L227-A230 PolarHBondContact O-N 2.89Å; M228-A230 VanDerWaalsContact C-N 3.34Å
231	A	87.6	Confident	93.1	Very high	22 Å²	22	33.4 Å²	33.4	18%	0.182	21%	0.21	C	C	.	.	S	Bend	trans	-59.4	138.8	177.5	0	0	0	0	0	112.1	L227 M228 R229 I237 K323	L227-A231 PolarHBondContact O-N 2.92Å; L227-A231 VanDerWaalsContact O-N 3.11Å; M228-A231 PolarHBondContact O-N 3.48Å; R229-A231 VanDerWaalsContact C-N 3.3Å; R229-A231 PolarHBondContact O-N 3.13Å; A231-I237 HydrophobicContact CB-CB 4.31Å; A231-I237 HydrophobicContact CB-CD1 4.14Å; A231-I237 HydrophobicContact CB-CG2 4.04Å; A231-K323 PolarHBondContact O-NZ 2.84Å
232	D	89.7	Confident	93.3	Very high	125 Å²	125	33.5 Å²	33.5	67%	0.668	21%	0.21	S	C	*	.			trans	-51.4	144.6	179.2	-70.5	-34.8	0	0	0	112.2	G234 V235	D232-G234 PolarHBondContact O-N 3.31Å; D232-G234 VanDerWaalsContact O-N 3.17Å; D232-V235 HydrophobicContact CB-CG2 4.13Å; D232-V235 PolarHBondContact O-N 3.21Å
233	S	91.9	Very high	93.7	Very high	82 Å²	82	31.7 Å²	31.7	57%	0.573	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.1	-177.2	59.1	0	0	0	0	113.2	V235 S325 T326	S233-V235 VanDerWaalsContact C-N 3.28Å; S233-V235 PolarHBondContact O-N 2.94Å; S233-S325 CarbonylContact O-C 3.24Å; S233-S325 VanDerWaalsContact O-CA 3.29Å; S233-S325 WeakPolarHBondContact O-CA 3.5Å; S233-T326 PolarHBondContact O-N 3.38Å
234	G	93.4	Very high	94	Very high	40 Å²	40	28.9 Å²	28.9	41%	0.412	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-6.6	177.5	0	0	0	0	0	114.7	D232 S325	D232-G234 PolarHBondContact O-N 3.31Å; D232-G234 VanDerWaalsContact O-N 3.17Å; G234-S325 WeakPolarHBondContact O-CB 3.35Å
235	V	94.4	Very high	94.1	Very high	22 Å²	22	28.9 Å²	28.9	13%	0.133	18%	0.179	C	C	.	.	S	Bend	trans	-106.7	133.5	-173.7	178.1	0	0	0	0	110.4	H199 C201 D232 S233	H199-V235 HydrophobicContact CB-CG2 4.28Å; C201-V235 HydrophobicContact CB-CG1 3.95Å; D232-V235 HydrophobicContact CB-CG2 4.13Å; D232-V235 PolarHBondContact O-N 3.21Å; S233-V235 VanDerWaalsContact C-N 3.28Å; S233-V235 PolarHBondContact O-N 2.94Å
236	N	95.9	Very high	94.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	125.5	166.4	-65.5	-84.4	0	0	0	108.2	H199 C200 C201 M322 S325 L330	H199-N236 PolarHBondContact O-N 3.04Å; H199-N236 VanDerWaalsContact O-N 3.08Å; C200-N236 CarbonylContact C-O 3.58Å; C200-N236 WeakPolarHBondContact CA-O 3.36Å; C201-N236 PolarHBondContact N-O 3.34Å; N236-M322 HydrophobicContact CB-CE 4.13Å; N236-M322 WeakPolarHBondContact OD1-CE 3.41Å; N236-S325 VanDerWaalsContact ND2-CB 3.35Å; N236-S325 WeakPolarHBondContact ND2-CB 3.24Å; N236-S325 PolarHBondContact ND2-OG 3.18Å; N236-S325 PolarHBondContact OD1-N 3.1Å; N236-S325 PolarHBondContact OD1-OG 2.96Å; N236-L330 HydrophobicContact CB-CD1 3.98Å
237	I	97.7	Very high	94.4	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127	173.6	-175.1	162	0	0	0	110.7	C201 V203 L227 M228 A231 M322 K323	C201-I237 HydrophobicContact CB-CB 3.97Å; C201-I237 HydrophobicContact CB-CD1 3.82Å; C201-I237 HydrophobicContact CB-CG1 3.76Å; C201-I237 CarbonylContact O-C 3.47Å; C201-I237 WeakPolarHBondContact O-CA 3.37Å; C201-I237 WeakPolarHBondContact O-CG1 3.46Å; C201-I237 VanDerWaalsContact SG-CD1 3.57Å; V203-I237 HydrophobicContact CG2-CD1 3.9Å; V203-I237 HydrophobicContact CG2-CG1 4.12Å; L227-I237 HydrophobicContact CG-CD1 4.37Å; M228-I237 HydrophobicContact CB-CG2 4.04Å; M228-I237 HydrophobicContact CE-CG2 4.16Å; M228-I237 HydrophobicContact CG-CD1 4.11Å; M228-I237 HydrophobicContact CG-CG1 4.17Å; M228-I237 HydrophobicContact CG-CG2 4.11Å; A231-I237 HydrophobicContact CB-CB 4.31Å; A231-I237 HydrophobicContact CB-CD1 4.14Å; A231-I237 HydrophobicContact CB-CG2 4.04Å; I237-M322 CarbonylContact O-C 3.55Å; I237-M322 VanDerWaalsContact O-CA 3.28Å; I237-M322 WeakPolarHBondContact O-CA 2.8Å; I237-K323 HydrophobicContact CG2-CB 3.64Å; I237-K323 HydrophobicContact CG2-CD 4.2Å; I237-K323 HydrophobicContact CG2-CG 4.43Å; I237-K323 PolarHBondContact N-O 2.81Å; I237-K323 PolarHBondContact O-N 3.06Å
238	L	98.6	Very high	94.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118.7	176.3	-65	95.3	0	0	0	108.9	F74 L76 C201 L202 V203 L279 I320 Y321 M322 F360	F74-L238 HydrophobicContact CE1-CD1 4.11Å; F74-L238 HydrophobicContact CE1-CD2 3.77Å; F74-L238 HydrophobicContact CZ-CD2 4.32Å; L76-L238 HydrophobicContact CD2-CB 4.13Å; L76-L238 HydrophobicContact CD2-CD2 3.76Å; C201-L238 PolarHBondContact O-N 3.07Å; L202-L238 HydrophobicContact CD2-CB 4.2Å; L202-L238 HydrophobicContact CD2-CD1 3.99Å; V203-L238 PolarHBondContact N-O 3.22Å; L238-L279 HydrophobicContact CD2-CD1 4.46Å; L238-I320 HydrophobicContact CB-CG2 4.45Å; L238-I320 HydrophobicContact CD2-CG2 4.39Å; L238-Y321 WeakPolarHBondContact CA-O 3.14Å; L238-M322 HydrophobicContact CG-CG 4.26Å; L238-F360 HydrophobicContact CD2-CE1 4.15Å; L238-F360 HydrophobicContact CD2-CE2 4.02Å; L238-F360 HydrophobicContact CD2-CZ 3.46Å; L238-F360 VanDerWaalsContact CD2-CZ 3.46Å
239	F	98.4	Very high	94.2	Very high	1 Å²	1	36 Å²	36	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.5	176.6	163	-119.1	0	0	0	109.8	V203 A205 L207 L221 A224 F225 M228 L243 I320 Y321	V203-F239 HydrophobicContact CB-CB 4.14Å; V203-F239 HydrophobicContact CB-CD2 4.02Å; V203-F239 HydrophobicContact CG1-CD2 3.69Å; V203-F239 HydrophobicContact CG1-CE2 4.4Å; V203-F239 WeakPolarHBondContact O-CA 3.34Å; A205-F239 HydrophobicContact CB-CE2 3.74Å; L207-F239 HydrophobicContact CD1-CZ 4.46Å; L207-F239 HydrophobicContact CD2-CZ 4.41Å; L221-F239 HydrophobicContact CD1-CE1 3.86Å; A224-F239 HydrophobicContact CB-CD1 3.85Å; A224-F239 HydrophobicContact CB-CD2 3.95Å; A224-F239 HydrophobicContact CB-CE1 3.49Å; A224-F239 VanDerWaalsContact CB-CE1 3.49Å; A224-F239 HydrophobicContact CB-CE2 3.56Å; A224-F239 HydrophobicContact CB-CG 4.08Å; A224-F239 HydrophobicContact CB-CZ 3.32Å; F225-F239 HydrophobicContact CD1-CD1 4.46Å; F225-F239 HydrophobicContact CE1-CD1 4.29Å; F225-F239 HydrophobicContact CE1-CE1 4.47Å; M228-F239 HydrophobicContact CE-CB 4.24Å; M228-F239 HydrophobicContact CG-CB 4.15Å; M228-F239 HydrophobicContact SD-CB 3.57Å; M228-F239 VanDerWaalsContact SD-CB 3.57Å; M228-F239 HydrophobicContact SD-CD1 4.09Å; M228-F239 HydrophobicContact SD-CG 4.24Å; F239-L243 HydrophobicContact CE1-CD1 3.97Å; F239-L243 HydrophobicContact CE1-CD2 4.34Å; F239-L243 HydrophobicContact CE2-CD2 4.13Å; F239-L243 HydrophobicContact CZ-CD1 4.18Å; F239-L243 HydrophobicContact CZ-CD2 3.73Å; F239-I320 CarbonylContact O-C 3.59Å; F239-I320 WeakPolarHBondContact O-CA 3.45Å; F239-Y321 AromaticContact CD1-CD2 3.8Å; F239-Y321 HydrophobicContact CD1-CD2 3.8Å; F239-Y321 HydrophobicContact CE1-CD2 4.02Å; F239-Y321 HydrophobicContact CE1-CE2 4.43Å; F239-Y321 PolarHBondContact N-O 2.77Å; F239-Y321 PolarHBondContact O-N 3.03Å
240	G	98.8	Very high	94.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	-170.3	179.2	0	0	0	0	0	114.2	V203 A205 R319	V203-G240 PolarHBondContact O-N 3.18Å; A205-G240 PolarHBondContact N-O 3.46Å; G240-R319 WeakPolarHBondContact CA-O 3.28Å
241	G	98.9	Very high	93.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	132.2	-165.8	-172	0	0	0	0	0	111.2	S78 A205 L243 D318 R319	S78-G241 VanDerWaalsContact OG-CA 3.26Å; S78-G241 WeakPolarHBondContact OG-CA 3.38Å; A205-G241 WeakPolarHBondContact O-CA 3.21Å; G241-L243 PolarHBondContact O-N 3.17Å; G241-L243 VanDerWaalsContact O-N 3.13Å; G241-D318 VanDerWaalsContact O-CA 3.25Å; G241-D318 WeakPolarHBondContact O-CA 3.27Å; G241-R319 PolarHBondContact N-O 2.86Å; G241-R319 PolarHBondContact O-N 3.49Å; G241-R319 VanDerWaalsContact O-N 3.13Å
242	D	98.9	Very high	91.9	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.011	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	98.5	164.5	179.3	1.4	0	0	0	109.4	N80 Q128 H206 L207 N244 F317 H353	N80-D242 HydrophobicContact CB-CB 4.02Å; N80-D242 PolarHBondContact ND2-OD2 3.34Å; Q128-D242 HydrophobicContact CG-CB 4.36Å; H206-D242 CarbonylContact C-O 3.53Å; H206-D242 VanDerWaalsContact CA-O 3.29Å; H206-D242 WeakPolarHBondContact CA-O 3.25Å; H206-D242 PolarHBondContact CD2-O 3.14Å; H206-D242 IonicContact CD2-OD2 2.71Å; H206-D242 IonicContact CE1-OD2 2.92Å; H206-D242 IonicContact NE2-OD2 3.26Å; H206-D242 PolarHBondContact NE2-OD2 3.27Å; L207-D242 PolarHBondContact N-O 2.83Å; D242-N244 VanDerWaalsContact C-N 3.32Å; D242-N244 PolarHBondContact OD1-N 3.4Å; D242-N244 PolarHBondContact OD1-ND2 2.94Å; D242-N244 VanDerWaalsContact OD1-ND2 3.15Å; D242-N244 PolarHBondContact OD2-ND2 3.45Å; D242-F317 WeakPolarHBondContact OD1-CB 3.5Å; D242-H353 IonicContact OD2-CE1 2.98Å; D242-H353 PolarHBondContact OD2-CE1 3.21Å; D242-H353 VanDerWaalsContact OD2-CE1 3.28Å; D242-H353 IonicContact OD2-NE2 3.97Å
243	L	98.7	Very high	90.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.178	C	C	.	.			trans	-89.1	-3.7	-178.1	-50.9	-169.7	0	0	0	112.1	L207 R217 F239 G241 L245 F317 R319 Y321	L207-L243 WeakPolarHBondContact CB-O 3.32Å; L207-L243 HydrophobicContact CD1-CB 3.94Å; L207-L243 HydrophobicContact CD1-CD2 4.21Å; L207-L243 HydrophobicContact CG-CB 4.16Å; L207-L243 HydrophobicContact CG-CD2 3.94Å; R217-L243 WeakPolarHBondContact CD-O 3.44Å; F239-L243 HydrophobicContact CE1-CD1 3.97Å; F239-L243 HydrophobicContact CE1-CD2 4.34Å; F239-L243 HydrophobicContact CE2-CD2 4.13Å; F239-L243 HydrophobicContact CZ-CD1 4.18Å; F239-L243 HydrophobicContact CZ-CD2 3.73Å; G241-L243 PolarHBondContact O-N 3.17Å; G241-L243 VanDerWaalsContact O-N 3.13Å; L243-L245 HydrophobicContact CB-CB 4.47Å; L243-L245 HydrophobicContact CB-CD1 3.74Å; L243-L245 HydrophobicContact CB-CG 3.78Å; L243-L245 HydrophobicContact CD1-CD1 3.95Å; L243-L245 WeakPolarHBondContact O-CG 3.46Å; L243-L245 PolarHBondContact O-N 3.04Å; L243-F317 PolarHBondContact N-O 3.41Å; L243-R319 HydrophobicContact CD1-CB 3.9Å; L243-R319 HydrophobicContact CG-CB 4.41Å; L243-Y321 HydrophobicContact CD1-CD2 3.88Å; L243-Y321 HydrophobicContact CD1-CE2 3.4Å; L243-Y321 VanDerWaalsContact CD1-CE2 3.4Å
244	N	98.3	Very high	87.7	Confident	10 Å²	10	31 Å²	31	5%	0.053	17%	0.172	C	C	.	.			trans	51.9	17.6	-178	-87.8	-76.1	0	0	0	114.7	H206 L207 S209 R217 D242 R246 F317	H206-N244 PolarHBondContact CD2-ND2 3.45Å; H206-N244 PolarHBondContact NE2-ND2 3Å; H206-N244 VanDerWaalsContact NE2-ND2 3.13Å; L207-N244 PolarHBondContact O-ND2 3.27Å; L207-N244 VanDerWaalsContact O-ND2 3.07Å; S209-N244 PolarHBondContact OG-ND2 3.5Å; S209-N244 VanDerWaalsContact OG-ND2 3.14Å; R217-N244 WeakPolarHBondContact CD-O 3.21Å; R217-N244 PolarHBondContact NE-O 2.86Å; R217-N244 VanDerWaalsContact NE-O 3.12Å; D242-N244 VanDerWaalsContact C-N 3.32Å; D242-N244 PolarHBondContact OD1-N 3.4Å; D242-N244 PolarHBondContact OD1-ND2 2.94Å; D242-N244 VanDerWaalsContact OD1-ND2 3.15Å; D242-N244 PolarHBondContact OD2-ND2 3.45Å; N244-R246 PolarHBondContact O-NH1 3.15Å; N244-F317 PolarHBondContact N-O 3.16Å
245	L	96.8	Very high	85	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.191	C	C	.	.			trans	-79	139.2	-168.4	-73.5	171	0	0	0	112.4	R217 L221 L243 E249 V250 R319 Y321	R217-L245 HydrophobicContact CG-CD2 3.98Å; L221-L245 HydrophobicContact CD1-CD1 4.03Å; L221-L245 HydrophobicContact CD2-CD1 3.99Å; L221-L245 HydrophobicContact CD2-CD2 3.81Å; L243-L245 HydrophobicContact CB-CB 4.47Å; L243-L245 HydrophobicContact CB-CD1 3.74Å; L243-L245 HydrophobicContact CB-CG 3.78Å; L243-L245 HydrophobicContact CD1-CD1 3.95Å; L243-L245 WeakPolarHBondContact O-CG 3.46Å; L243-L245 PolarHBondContact O-N 3.04Å; L245-E249 HydrophobicContact CD2-CB 4.26Å; L245-V250 HydrophobicContact CB-CG2 4.41Å; L245-V250 HydrophobicContact CD1-CG2 3.87Å; L245-V250 HydrophobicContact CD2-CG2 4.49Å; L245-V250 HydrophobicContact CG-CG2 4.48Å; L245-R319 PolarHBondContact O-NH2 3.41Å; L245-Y321 HydrophobicContact CD1-CE2 4.19Å; L245-Y321 WeakPolarHBondContact CD1-OH 3.33Å
246	R	93.9	Very high	82.4	Confident	58 Å²	58	40.8 Å²	40.8	22%	0.219	22%	0.224	C	C	.	.			trans	-95.4	149.6	162.1	-74.5	69.7	179.2	168.2	3.6	109.2	N244 H248 E249 F317	N244-R246 PolarHBondContact O-NH1 3.15Å; R246-H248 VanDerWaalsContact CB-CE1 3.43Å; R246-H248 WeakPolarHBondContact CB-CE1 3.49Å; R246-H248 PolarHBondContact O-N 3.37Å; R246-H248 VanDerWaalsContact O-N 3.12Å; R246-E249 HydrophobicContact CB-CG 4.09Å; R246-E249 PolarHBondContact N-OE2 2.98Å; R246-E249 WeakPolarHBondContact O-CB 3.46Å; R246-E249 PolarHBondContact O-N 3.27Å; R246-F317 VanDerWaalsContact NH1-CE1 3.29Å
247	D	91	Very high	79.6	Confident	74 Å²	74	45.6 Å²	45.6	40%	0.396	26%	0.258	S	S	.	.	H	α-helix	trans	-60.3	-29.5	-174.3	-75.1	-9.8	0	0	0	113.7	E249 R316 R319	D247-E249 VanDerWaalsContact C-N 3.3Å; D247-E249 PolarHBondContact O-N 3.41Å; D247-R316 IonicContact OD1-NH2 3.7Å; D247-R319 IonicContact OD1-CZ 3.12Å; D247-R319 IonicContact OD1-NH1 2.68Å; D247-R319 IonicContact OD1-NH2 3.44Å; D247-R319 PolarHBondContact OD1-NH2 2.88Å
248	H	88.9	Confident	76.5	Confident	115 Å²	115	52 Å²	52	53%	0.532	30%	0.299	S	S	.	.	H	α-helix	trans	-73.8	-19.4	175.6	67.1	-94.4	0	0	0	113.3	R246	R246-H248 VanDerWaalsContact CB-CE1 3.43Å; R246-H248 WeakPolarHBondContact CB-CE1 3.49Å; R246-H248 PolarHBondContact O-N 3.37Å; R246-H248 VanDerWaalsContact O-N 3.12Å
249	E	91	Very high	73.4	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.009	33%	0.332	C	S	.	.	H	α-helix	trans	-77.2	-32.2	-179.7	-59.3	-179.9	133.5	0	0	111.8	S214 R217 K218 L245 R246 D247 K251	S214-E249 WeakPolarHBondContact CA-OE1 3.26Å; S214-E249 WeakPolarHBondContact CB-OE1 3.31Å; S214-E249 PolarHBondContact OG-OE1 3.14Å; R217-E249 IonicContact CZ-OE1 2.91Å; R217-E249 IonicContact CZ-OE2 3.38Å; R217-E249 IonicContact NE-OE1 3.31Å; R217-E249 PolarHBondContact NE-OE1 3.3Å; R217-E249 IonicContact NE-OE2 3.76Å; R217-E249 PolarHBondContact NE-OE2 3.05Å; R217-E249 IonicContact NH2-OE1 2.68Å; R217-E249 PolarHBondContact NH2-OE1 3.41Å; R217-E249 IonicContact NH2-OE2 3.93Å; R217-E249 PolarHBondContact NH2-OE2 3.27Å; K218-E249 HydrophobicContact CG-CB 4.19Å; L245-E249 HydrophobicContact CD2-CB 4.26Å; R246-E249 HydrophobicContact CB-CG 4.09Å; R246-E249 PolarHBondContact N-OE2 2.98Å; R246-E249 WeakPolarHBondContact O-CB 3.46Å; R246-E249 PolarHBondContact O-N 3.27Å; D247-E249 VanDerWaalsContact C-N 3.3Å; D247-E249 PolarHBondContact O-N 3.41Å; E249-K251 VanDerWaalsContact C-N 3.32Å
250	V	85.2	Confident	70.2	Confident	14 Å²	14	64.6 Å²	64.6	9%	0.085	37%	0.372	C	S	.	.	H	α-helix	trans	-71	-29.1	176	-176.5	0	0	0	0	112.1	L221 L245 A252 L272 R319	L221-V250 HydrophobicContact CD2-CG2 4.44Å; L245-V250 HydrophobicContact CB-CG2 4.41Å; L245-V250 HydrophobicContact CD1-CG2 3.87Å; L245-V250 HydrophobicContact CD2-CG2 4.49Å; L245-V250 HydrophobicContact CG-CG2 4.48Å; V250-A252 PolarHBondContact O-N 2.8Å; V250-L272 HydrophobicContact CG1-CD2 3.69Å; V250-L272 HydrophobicContact CG1-CG 4.42Å; V250-R319 VanDerWaalsContact CG2-NH1 3.3Å
251	K	71.2	Confident	67.1	Low	142 Å²	142	73.9 Å²	73.9	62%	0.617	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-13	-177.9	-70.3	179.9	179.5	-176.3	0	114.1	E249	E249-K251 VanDerWaalsContact C-N 3.32Å
252	A	57.5	Low	64	Low	59 Å²	59	79.2 Å²	79.2	49%	0.488	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	2.8	-169.8	0	0	0	0	0	115.2	V250	V250-A252 PolarHBondContact O-N 2.8Å
253	H	51.8	Low	60.9	Low	42 Å²	42	89.4 Å²	89.4	19%	0.194	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	20.8	-164.6	-95.5	-67.4	0	0	0	117	K218	K218-H253 WeakPolarHBondContact CB-NE2 3.49Å; K218-H253 PolarHBondContact O-CE1 2.81Å; K218-H253 PolarHBondContact O-NE2 2.89Å
254	C	41.9	Very low	57.9	Low	67 Å²	67	94.2 Å²	94.2	45%	0.453	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-3.7	-175.4	-60.6	0	0	0	0	115.8	Q270	C254-Q270 PolarHBondContact SG-O 3.46Å
255	D	37.7	Very low	54.8	Low	151 Å²	151	103.2 Å²	103.2	81%	0.807	57%	0.565	S	S	*	*			trans	-110.9	15	-165.3	-68.6	-18.3	0	0	0	116	S257	D255-S257 PolarHBondContact O-N 3.07Å
256	S	40.1	Very low	51.8	Low	118 Å²	118	109.1 Å²	109.1	83%	0.825	60%	0.595	S	S	*	*			trans	-99.8	64	179.9	-49.4	0	0	0	0	112.8
257	S	36.1	Very low	48.9	Very low	101 Å²	101	115.5 Å²	115.5	71%	0.706	63%	0.625	S	S	*	*			trans	-119.3	127.4	152.4	-168.8	0	0	0	0	108.3	D255 A259	D255-S257 PolarHBondContact O-N 3.07Å; S257-A259 PolarHBondContact O-N 3.22Å; S257-A259 VanDerWaalsContact O-N 3.09Å
258	P	33.2	Very low	46.1	Very low	134 Å²	134	120 Å²	120	87%	0.87	64%	0.641	S	S	*	*			trans	-82.1	86.8	-179.1	32.2	-30.2	0	0	0	109.9
259	A	33.5	Very low	43.6	Very low	83 Å²	83	120.6 Å²	120.6	69%	0.686	65%	0.647	S	S	*	*			trans	-165	116.3	159.3	0	0	0	0	0	112.1	S257	S257-A259 PolarHBondContact O-N 3.22Å; S257-A259 VanDerWaalsContact O-N 3.09Å
260	E	31.4	Very low	41.5	Very low	183 Å²	183	125.4 Å²	125.4	86%	0.855	67%	0.669	S	S	*	*			trans	58.5	115.2	136.2	-124.4	172	175.3	0	0	121.1
261	F	33	Very low	40.7	Very low	196 Å²	196	128.2 Å²	128.2	86%	0.86	69%	0.687	S	S	*	*			trans	37.8	105.3	144.4	-96.6	-100.9	0	0	0	118.6
262	S	34.1	Very low	41.4	Very low	111 Å²	111	122.8 Å²	122.8	78%	0.776	66%	0.664	S	S	*	*				-169.3	111	125.4	-80.4	0	0	0	0	111.4	V264	S262-V264 PolarHBondContact O-N 3.47Å
263	K	34.2	Very low	42.6	Very low	217 Å²	217	120.9 Å²	120.9	94%	0.943	65%	0.647	S	S	*	*			trans	-65.8	79.8	164.6	-83.7	176.2	170.9	174.3	0	109.7
264	V	34.5	Very low	44.2	Very low	100 Å²	100	128 Å²	128	61%	0.606	68%	0.68	S	S	*	*			trans	-134.6	86.4	161	-178.9	0	0	0	0	107.2	S262 I266	S262-V264 PolarHBondContact O-N 3.47Å; V264-I266 HydrophobicContact CG1-CB 4.19Å; V264-I266 HydrophobicContact CG1-CD1 3.31Å; V264-I266 HydrophobicContact CG1-CG1 3.44Å; V264-I266 VanDerWaalsContact CG1-CG1 3.44Å; V264-I266 PolarHBondContact O-N 3.08Å
265	Q	34	Very low	46.3	Very low	199 Å²	199	127 Å²	127	93%	0.93	68%	0.682	S	S	*	*			trans	-75.6	60.1	175.1	-153.8	178.2	33.3	0	0	109
266	I	33.8	Very low	49	Very low	125 Å²	125	120.3 Å²	120.3	64%	0.641	65%	0.646	S	S	*	*			trans	-85.1	116.9	169.4	-70.8	169.9	0	0	0	106.6	V264 K268	V264-I266 HydrophobicContact CG1-CB 4.19Å; V264-I266 HydrophobicContact CG1-CD1 3.31Å; V264-I266 HydrophobicContact CG1-CG1 3.44Å; V264-I266 VanDerWaalsContact CG1-CG1 3.44Å; V264-I266 PolarHBondContact O-N 3.08Å; I266-K268 PolarHBondContact O-N 2.94Å
267	F	32.4	Very low	51.6	Low	193 Å²	193	116.8 Å²	116.8	85%	0.846	62%	0.619	S	S	*	*			trans	-10.3	53.1	161.3	-69.8	-90.9	0	0	0	118.9	I269	F267-I269 PolarHBondContact O-N 3.28Å
268	K	33.3	Very low	54.4	Low	168 Å²	168	112.2 Å²	112.2	73%	0.73	59%	0.587	S	S	*	*			trans	-80.3	82.4	166	-87.2	-173.3	170.6	-171.6	0	107.8	I266 Q270	I266-K268 PolarHBondContact O-N 2.94Å; K268-Q270 HydrophobicContact CB-CB 4.35Å; K268-Q270 PolarHBondContact O-N 3.04Å
269	I	35.1	Very low	57.5	Low	128 Å²	128	105.8 Å²	105.8	66%	0.656	55%	0.545	S	S	*	.			trans	-67.5	80.7	155.1	-56	172.6	0	0	0	105.4	F267 T271	F267-I269 PolarHBondContact O-N 3.28Å; I269-T271 HydrophobicContact CG2-CG2 4.44Å
270	Q	48.7	Very low	60.5	Low	102 Å²	102	103.1 Å²	103.1	48%	0.477	52%	0.518	S	S	.	.			trans	-128.4	91.5	177.9	-146.9	165.2	3.9	0	0	104.5	C254 K268	C254-Q270 PolarHBondContact SG-O 3.46Å; K268-Q270 HydrophobicContact CB-CB 4.35Å; K268-Q270 PolarHBondContact O-N 3.04Å
271	T	67.6	Low	63.6	Low	74 Å²	74	99 Å²	99	45%	0.454	50%	0.497	S	S	.	.				60.2	110.5	67.6	72.3	0	0	0	0	110.7	I269	I269-T271 HydrophobicContact CG2-CG2 4.44Å
272	L	84.9	Confident	66.5	Low	28 Å²	28	92.3 Å²	92.3	15%	0.147	48%	0.477	C	S	.	.	S	Bend	trans	20	143.3	166.9	-61	170.5	0	0	0	118.6	F225 V250 D278 Y321	F225-L272 HydrophobicContact CE1-CD2 4.32Å; F225-L272 HydrophobicContact CE2-CD2 3.85Å; F225-L272 HydrophobicContact CZ-CD2 3.42Å; F225-L272 VanDerWaalsContact CZ-CD2 3.42Å; V250-L272 HydrophobicContact CG1-CD2 3.69Å; V250-L272 HydrophobicContact CG1-CG 4.42Å; L272-D278 HydrophobicContact CD1-CB 3.9Å; L272-Y321 HydrophobicContact CD1-CD1 3.93Å; L272-Y321 HydrophobicContact CD1-CE1 3.97Å; L272-Y321 HydrophobicContact CD2-CD1 3.89Å; L272-Y321 HydrophobicContact CD2-CE1 3.58Å; L272-Y321 HydrophobicContact CG-CE1 4.42Å
273	P	84.4	Confident	69.4	Low	18 Å²	18	88.6 Å²	88.6	12%	0.117	45%	0.449	C	S	.	.	S	Bend	trans	-51	147.9	174.8	-21.5	30.9	0	0	0	112.7	F225 R229 G275 I276	F225-P273 HydrophobicContact CB-CG 3.97Å; F225-P273 HydrophobicContact CD2-CG 3.75Å; F225-P273 HydrophobicContact CE2-CG 4.43Å; F225-P273 HydrophobicContact CG-CG 3.93Å; R229-P273 HydrophobicContact CG-CB 4.35Å; P273-G275 PolarHBondContact O-N 2.92Å; P273-I276 HydrophobicContact CB-CD1 3.82Å; P273-I276 HydrophobicContact CB-CG1 4.3Å; P273-I276 HydrophobicContact CG-CD1 3.93Å; P273-I276 WeakPolarHBondContact O-CB 3.27Å; P273-I276 PolarHBondContact O-N 2.96Å
274	E	83.7	Confident	72.2	Confident	191 Å²	191	81.4 Å²	81.4	89%	0.893	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	137.1	-176.9	-172.8	174.5	-174.3	0	0	112.1	I276	E274-I276 PolarHBondContact O-N 3.22Å
275	G	87.4	Confident	75.2	Confident	48 Å²	48	78.9 Å²	78.9	50%	0.495	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	-9	-176.9	0	0	0	0	0	115.3	P273	P273-G275 PolarHBondContact O-N 2.92Å
276	I	93.2	Very high	78	Confident	10 Å²	10	71.2 Å²	71.2	5%	0.051	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128.6	176.6	-55.1	-176.4	0	0	0	110.5	F225 M228 P273 E274 M322 K323	F225-I276 HydrophobicContact CB-CD1 4.41Å; F225-I276 HydrophobicContact CD1-CD1 3.96Å; F225-I276 HydrophobicContact CE1-CG2 4.27Å; F225-I276 HydrophobicContact CG-CD1 4.3Å; M228-I276 HydrophobicContact CB-CD1 3.76Å; M228-I276 HydrophobicContact CE-CD1 4.33Å; M228-I276 HydrophobicContact CE-CG1 4.37Å; M228-I276 HydrophobicContact CE-CG2 3.92Å; M228-I276 HydrophobicContact SD-CD1 3.96Å; M228-I276 HydrophobicContact SD-CG2 4.24Å; P273-I276 HydrophobicContact CB-CD1 3.82Å; P273-I276 HydrophobicContact CB-CG1 4.3Å; P273-I276 HydrophobicContact CG-CD1 3.93Å; P273-I276 WeakPolarHBondContact O-CB 3.27Å; P273-I276 PolarHBondContact O-N 2.96Å; E274-I276 PolarHBondContact O-N 3.22Å; I276-M322 CarbonylContact C-O 3.51Å; I276-M322 WeakPolarHBondContact CA-O 3.49Å; I276-K323 HydrophobicContact CG1-CB 4.32Å
277	V	94.4	Very high	80.9	Confident	44 Å²	44	70.4 Å²	70.4	27%	0.267	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	146.8	177.5	-60.2	0	0	0	0	111.6	L279 A282 Y321 M322	V277-L279 HydrophobicContact CG2-CD2 4.29Å; V277-A282 HydrophobicContact CB-CB 4.49Å; V277-A282 HydrophobicContact CG2-CB 4.42Å; V277-Y321 CarbonylContact O-C 3.15Å; V277-Y321 WeakPolarHBondContact O-CA 3.35Å; V277-M322 HydrophobicContact CG2-CB 4.01Å; V277-M322 WeakPolarHBondContact CG2-O 3.26Å; V277-M322 PolarHBondContact N-O 3.22Å; V277-M322 PolarHBondContact O-N 2.97Å
278	D	96.4	Very high	83.9	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.021	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	119.6	167.6	178.1	-34.1	0	0	0	107.8	L272 W280 K281 A282 R316 Y321	L272-D278 HydrophobicContact CD1-CB 3.9Å; D278-W280 VanDerWaalsContact C-N 3.29Å; D278-W280 PolarHBondContact O-N 3.03Å; D278-W280 WeakPolarHBondContact OD1-CB 3.33Å; D278-W280 PolarHBondContact OD1-N 3.4Å; D278-K281 HydrophobicContact CB-CB 4.13Å; D278-K281 HydrophobicContact CB-CD 4.03Å; D278-K281 HydrophobicContact CB-CG 3.96Å; D278-K281 CarbonylContact O-C 3.53Å; D278-K281 WeakPolarHBondContact O-CA 3.15Å; D278-K281 WeakPolarHBondContact O-CB 3.45Å; D278-K281 PolarHBondContact O-N 3.16Å; D278-K281 PolarHBondContact OD1-N 2.91Å; D278-A282 WeakPolarHBondContact O-CB 3.3Å; D278-A282 PolarHBondContact O-N 2.94Å; D278-R316 IonicContact OD1-NH1 2.83Å; D278-R316 PolarHBondContact OD1-NH1 2.9Å; D278-R316 IonicContact OD2-CZ 3.56Å; D278-R316 IonicContact OD2-NH1 3.48Å; D278-R316 PolarHBondContact OD2-NH1 2.96Å; D278-R316 IonicContact OD2-NH2 2.97Å; D278-R316 PolarHBondContact OD2-NH2 3.47Å; D278-Y321 HydrophobicContact CB-CD1 3.95Å; D278-Y321 HydrophobicContact CB-CE1 3.82Å
279	L	97.3	Very high	86.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-66.5	-27.7	-172.1	-69.7	-172.5	0	0	0	113.9	L238 V277 K281 N283 I320 M322 P332 F335 C358 F360	L238-L279 HydrophobicContact CD2-CD1 4.46Å; V277-L279 HydrophobicContact CG2-CD2 4.29Å; L279-K281 VanDerWaalsContact C-N 3.32Å; L279-N283 WeakPolarHBondContact O-CB 3.24Å; L279-N283 PolarHBondContact O-N 3.27Å; L279-N283 VanDerWaalsContact O-N 3.1Å; L279-N283 PolarHBondContact O-ND2 2.91Å; L279-I320 HydrophobicContact CB-CB 4.48Å; L279-I320 WeakPolarHBondContact CB-O 3.31Å; L279-I320 HydrophobicContact CD1-CB 3.81Å; L279-I320 HydrophobicContact CD1-CG2 3.36Å; L279-I320 HydrophobicContact CG-CB 4.31Å; L279-I320 HydrophobicContact CG-CG2 4.07Å; L279-I320 PolarHBondContact N-O 3.49Å; L279-M322 HydrophobicContact CD2-CB 3.85Å; L279-M322 HydrophobicContact CD2-SD 4.22Å; L279-M322 HydrophobicContact CG-CB 4.32Å; L279-P332 HydrophobicContact CD2-CB 4.21Å; L279-P332 HydrophobicContact CD2-CG 3.71Å; L279-F335 HydrophobicContact CB-CD2 4.37Å; L279-C358 HydrophobicContact CD1-CB 4.03Å; L279-F360 HydrophobicContact CD1-CE1 3.87Å; L279-F360 HydrophobicContact CD1-CE2 4.49Å; L279-F360 HydrophobicContact CD1-CZ 3.4Å; L279-F360 HydrophobicContact CD2-CE1 4.02Å; L279-F360 HydrophobicContact CD2-CZ 4.41Å
280	W	97.4	Very high	89.9	Confident	27 Å²	27	53.7 Å²	53.7	10%	0.102	33%	0.332	C	S	.	.	H	α-helix	trans	-65.3	-42.1	171.5	172.3	77.7	0	0	0	110.2	D278 S285 P286 K290 F335	D278-W280 VanDerWaalsContact C-N 3.29Å; D278-W280 PolarHBondContact O-N 3.03Å; D278-W280 WeakPolarHBondContact OD1-CB 3.33Å; D278-W280 PolarHBondContact OD1-N 3.4Å; W280-S285 WeakPolarHBondContact CZ2-O 3.42Å; W280-S285 VanDerWaalsContact O-CA 3.25Å; W280-S285 WeakPolarHBondContact O-CA 3.35Å; W280-S285 PolarHBondContact O-N 2.92Å; W280-P286 PolarHBondContact NE1-O 3.43Å; W280-P286 WeakPolarHBondContact O-CD 3.25Å; W280-K290 HydrophobicContact CH2-CD 4.17Å; W280-K290 HydrophobicContact CH2-CG 4.25Å; W280-K290 HydrophobicContact CZ2-CB 3.9Å; W280-K290 HydrophobicContact CZ2-CD 3.98Å; W280-K290 HydrophobicContact CZ2-CG 3.76Å; W280-F335 HydrophobicContact CB-CD1 4.47Å; W280-F335 HydrophobicContact CB-CD2 4.13Å; W280-F335 HydrophobicContact CB-CE1 4.22Å; W280-F335 HydrophobicContact CB-CE2 3.85Å; W280-F335 HydrophobicContact CB-CG 4.45Å; W280-F335 HydrophobicContact CB-CZ 3.9Å; W280-F335 AromaticContact CD1-CD1 3.83Å; W280-F335 AromaticContact CD1-CE1 3.71Å; W280-F335 HydrophobicContact CG-CE1 4.35Å; W280-F335 HydrophobicContact CG-CZ 4.46Å
281	K	95.3	Very high	92.2	Very high	97 Å²	97	52.1 Å²	52.1	42%	0.422	32%	0.322	S	S	.	.	H	α-helix	trans	-69	-41.9	176.5	-61.6	-173.7	-175.6	178.3	0	112.5	D278 L279 N283 G284 S285	D278-K281 HydrophobicContact CB-CB 4.13Å; D278-K281 HydrophobicContact CB-CD 4.03Å; D278-K281 HydrophobicContact CB-CG 3.96Å; D278-K281 CarbonylContact O-C 3.53Å; D278-K281 WeakPolarHBondContact O-CA 3.15Å; D278-K281 WeakPolarHBondContact O-CB 3.45Å; D278-K281 PolarHBondContact O-N 3.16Å; D278-K281 PolarHBondContact OD1-N 2.91Å; L279-K281 VanDerWaalsContact C-N 3.32Å; K281-N283 PolarHBondContact O-N 3.3Å; K281-G284 PolarHBondContact O-N 3.13Å; K281-S285 WeakPolarHBondContact CA-OG 3.39Å
282	A	94.5	Very high	93.7	Very high	54 Å²	54	48.6 Å²	48.6	45%	0.446	30%	0.3	S	S	.	.	H	α-helix	trans	-63	-29.8	-179.7	0	0	0	0	0	112.2	V277 D278 G284	V277-A282 HydrophobicContact CB-CB 4.49Å; V277-A282 HydrophobicContact CG2-CB 4.42Å; D278-A282 WeakPolarHBondContact O-CB 3.3Å; D278-A282 PolarHBondContact O-N 2.94Å; A282-G284 PolarHBondContact O-N 3.22Å
283	N	94.5	Very high	94.3	Very high	34 Å²	34	48.2 Å²	48.2	18%	0.182	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	26.4	173.2	-74.7	-80.8	0	0	0	113.3	L279 K281 P286 E334 F335	L279-N283 WeakPolarHBondContact O-CB 3.24Å; L279-N283 PolarHBondContact O-N 3.27Å; L279-N283 VanDerWaalsContact O-N 3.1Å; L279-N283 PolarHBondContact O-ND2 2.91Å; K281-N283 PolarHBondContact O-N 3.3Å; N283-P286 WeakPolarHBondContact O-CD 3.34Å; N283-E334 WeakPolarHBondContact OD1-CA 3.33Å; N283-E334 PolarHBondContact OD1-N 2.8Å; N283-F335 HydrophobicContact CB-CB 3.69Å
284	G	94.5	Very high	94.8	Very high	65 Å²	65	47.5 Å²	47.5	67%	0.67	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	12.5	174.7	0	0	0	0	0	115.4	K281 A282	K281-G284 PolarHBondContact O-N 3.13Å; A282-G284 PolarHBondContact O-N 3.22Å
285	S	95.6	Very high	95.2	Very high	48 Å²	48	38.8 Å²	38.8	34%	0.336	25%	0.253	S	S	.	.			trans	57.4	52.4	177.9	-52.2	0	0	0	0	114.2	W280 K281 S287	W280-S285 WeakPolarHBondContact CZ2-O 3.42Å; W280-S285 VanDerWaalsContact O-CA 3.25Å; W280-S285 WeakPolarHBondContact O-CA 3.35Å; W280-S285 PolarHBondContact O-N 2.92Å; K281-S285 WeakPolarHBondContact CA-OG 3.39Å; S285-S287 PolarHBondContact O-N 2.71Å
286	P	94.1	Very high	95.4	Very high	38 Å²	38	39.2 Å²	39.2	25%	0.247	25%	0.246	C	C	.	.			trans	-58.3	114.4	-175.3	24.4	-33.8	0	0	0	110.8	W280 N283 G288 E289 K290 F335	W280-P286 PolarHBondContact NE1-O 3.43Å; W280-P286 WeakPolarHBondContact O-CD 3.25Å; N283-P286 WeakPolarHBondContact O-CD 3.34Å; P286-G288 VanDerWaalsContact C-N 3.31Å; P286-G288 PolarHBondContact O-N 2.86Å; P286-E289 HydrophobicContact CB-CB 4.28Å; P286-E289 HydrophobicContact CB-CG 4.24Å; P286-E289 HydrophobicContact CG-CB 4.08Å; P286-E289 HydrophobicContact CG-CG 4.4Å; P286-E289 PolarHBondContact O-N 2.63Å; P286-E289 VanDerWaalsContact O-N 3.09Å; P286-K290 PolarHBondContact O-N 3.32Å; P286-F335 HydrophobicContact CG-CD1 4.3Å
287	S	94.1	Very high	95.4	Very high	107 Å²	107	44.3 Å²	44.3	75%	0.748	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-64.5	-35.2	-171.3	60.6	0	0	0	0	112.7	S285 E289 K290	S285-S287 PolarHBondContact O-N 2.71Å; S287-E289 PolarHBondContact O-N 2.92Å; S287-K290 WeakPolarHBondContact O-CB 3.35Å; S287-K290 PolarHBondContact O-N 3.2Å
288	G	94.8	Very high	95.4	Very high	47 Å²	47	42.3 Å²	42.3	49%	0.485	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-65.5	-19.7	176.1	0	0	0	0	0	114.2	P286	P286-G288 VanDerWaalsContact C-N 3.31Å; P286-G288 PolarHBondContact O-N 2.86Å
289	E	96.8	Very high	95.1	Very high	39 Å²	39	46.4 Å²	46.4	18%	0.182	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-114.3	17.7	-175	-49.8	-62.4	165.6	0	0	111.5	P286 S287 F335 L337 K340	P286-E289 HydrophobicContact CB-CB 4.28Å; P286-E289 HydrophobicContact CB-CG 4.24Å; P286-E289 HydrophobicContact CG-CB 4.08Å; P286-E289 HydrophobicContact CG-CG 4.4Å; P286-E289 PolarHBondContact O-N 2.63Å; P286-E289 VanDerWaalsContact O-N 3.09Å; S287-E289 PolarHBondContact O-N 2.92Å; E289-F335 HydrophobicContact CB-CD1 4.12Å; E289-F335 HydrophobicContact CB-CE1 4.29Å; E289-F335 WeakPolarHBondContact O-CE1 3.45Å; E289-L337 HydrophobicContact CB-CG 4.06Å; E289-L337 WeakPolarHBondContact OE2-CA 3.42Å; E289-L337 WeakPolarHBondContact OE2-CB 3.49Å; E289-L337 WeakPolarHBondContact OE2-CG 3.38Å; E289-L337 PolarHBondContact OE2-N 3.19Å; E289-K340 IonicContact OE1-NZ 2.82Å; E289-K340 PolarHBondContact OE1-NZ 2.98Å; E289-K340 IonicContact OE2-NZ 3.57Å; E289-K340 PolarHBondContact OE2-NZ 2.72Å; E289-K340 VanDerWaalsContact OE2-NZ 3.12Å
290	K	97.6	Very high	95	Very high	53 Å²	53	46.8 Å²	46.8	23%	0.23	28%	0.279	C	S	.	.			trans	-76.4	-44.6	-174.4	-178.3	179.5	178.6	-175.3	0	114	W280 P286 S287 R316	W280-K290 HydrophobicContact CH2-CD 4.17Å; W280-K290 HydrophobicContact CH2-CG 4.25Å; W280-K290 HydrophobicContact CZ2-CB 3.9Å; W280-K290 HydrophobicContact CZ2-CD 3.98Å; W280-K290 HydrophobicContact CZ2-CG 3.76Å; P286-K290 PolarHBondContact O-N 3.32Å; S287-K290 WeakPolarHBondContact O-CB 3.35Å; S287-K290 PolarHBondContact O-N 3.2Å; K290-R316 WeakPolarHBondContact O-CB 3.3Å; K290-R316 WeakPolarHBondContact O-CD 3.44Å; K290-R316 WeakPolarHBondContact O-CG 3.47Å
291	Y	98	Very high	94.6	Very high	68 Å²	68	45.5 Å²	45.5	27%	0.267	27%	0.274	S	S	.	.			trans	-99.7	115.1	-171	-58.9	-66.6	0	0	0	110	R314 L337	Y291-R314 HydrophobicContact CD1-CB 3.83Å; Y291-R314 HydrophobicContact CD2-CB 4.33Å; Y291-R314 HydrophobicContact CE1-CB 4.24Å; Y291-R314 HydrophobicContact CG-CB 3.89Å; Y291-L337 WeakPolarHBondContact O-CD1 3.41Å
292	T	98.4	Very high	93.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-91	-22.1	-178.4	61.7	0	0	0	0	111.4	C315 F317 D318 L337 H353 F354 I356	T292-C315 PolarHBondContact N-O 3.19Å; T292-C315 VanDerWaalsContact N-O 3.1Å; T292-F317 PolarHBondContact OG1-N 2.98Å; T292-D318 WeakPolarHBondContact CB-OD2 3.27Å; T292-D318 HydrophobicContact CG2-CB 3.89Å; T292-D318 PolarHBondContact OG1-N 2.95Å; T292-D318 VanDerWaalsContact OG1-N 3.14Å; T292-D318 PolarHBondContact OG1-OD2 3.37Å; T292-L337 HydrophobicContact CG2-CD2 3.71Å; T292-H353 CarbonylContact O-C 3.57Å; T292-H353 WeakPolarHBondContact O-CA 2.9Å; T292-F354 PolarHBondContact O-N 3.24Å; T292-I356 HydrophobicContact CG2-CG2 3.67Å
293	W	97.7	Very high	92.6	Very high	21 Å²	21	45 Å²	45	8%	0.08	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	106	172.2	-169.3	90.8	0	0	0	108.4	I301 P313 R314 C315 F317 D352 H353	W293-I301 HydrophobicContact CD2-CD1 3.6Å; W293-I301 HydrophobicContact CD2-CG1 4.24Å; W293-I301 HydrophobicContact CE3-CD1 4.05Å; W293-I301 HydrophobicContact CG-CD1 3.94Å; W293-I301 HydrophobicContact CH2-CD1 4.43Å; W293-I301 HydrophobicContact CH2-CG2 3.3Å; W293-I301 HydrophobicContact CZ2-CB 4.11Å; W293-I301 HydrophobicContact CZ2-CD1 4.02Å; W293-I301 HydrophobicContact CZ2-CG1 3.84Å; W293-I301 HydrophobicContact CZ2-CG2 3.2Å; W293-I301 HydrophobicContact CZ3-CD1 4.44Å; W293-I301 HydrophobicContact CZ3-CG2 4.09Å; W293-P313 HydrophobicContact CH2-CG 3.92Å; W293-P313 HydrophobicContact CZ3-CB 3.86Å; W293-P313 HydrophobicContact CZ3-CG 3.61Å; W293-R314 CarbonylContact O-C 3.58Å; W293-R314 WeakPolarHBondContact O-CA 3.13Å; W293-C315 PolarHBondContact N-O 3.03Å; W293-C315 VanDerWaalsContact N-O 3.11Å; W293-C315 PolarHBondContact O-N 2.86Å; W293-F317 HydrophobicContact CB-CD2 3.72Å; W293-F317 HydrophobicContact CB-CE2 4.15Å; W293-F317 HydrophobicContact CD2-CD2 4.41Å; W293-F317 AromaticContact CD2-CE2 3.99Å; W293-F317 HydrophobicContact CD2-CE2 3.99Å; W293-F317 HydrophobicContact CE3-CE2 4.14Å; W293-F317 AromaticContact CG-CD2 3.94Å; W293-F317 HydrophobicContact CG-CD2 3.94Å; W293-F317 HydrophobicContact CG-CE2 4.02Å; W293-D352 PolarHBondContact NE1-OD2 3.03Å; W293-H353 AromaticContact CD1-CD2 3.54Å; W293-H353 AromaticContact CD1-CE1 3.79Å; W293-H353 AromaticContact CD1-CG 3.96Å; W293-H353 AromaticContact CD1-NE2 3.37Å; W293-H353 AromaticContact NE1-NE2 4Å
294	D	95.4	Very high	91.7	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.011	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	99	-167	-173.5	-18.5	0	0	0	112.4	T296 K297 N298 I301 R314 F354	D294-T296 PolarHBondContact O-N 2.71Å; D294-T296 VanDerWaalsContact O-N 3.12Å; D294-T296 WeakPolarHBondContact OD1-CA 3.29Å; D294-T296 VanDerWaalsContact OD1-CB 3.27Å; D294-T296 WeakPolarHBondContact OD1-CB 3.07Å; D294-T296 PolarHBondContact OD1-N 3.17Å; D294-T296 PolarHBondContact OD1-OG1 3.25Å; D294-T296 PolarHBondContact OD2-OG1 3.12Å; D294-K297 PolarHBondContact O-N 2.75Å; D294-N298 PolarHBondContact O-N 3.17Å; D294-I301 VanDerWaalsContact C-CD1 3.41Å; D294-R314 HydrophobicContact CB-CG 4.28Å; D294-R314 WeakPolarHBondContact OD1-CD 3.15Å; D294-R314 WeakPolarHBondContact OD1-CG 3.44Å; D294-R314 VanDerWaalsContact OD2-CD 3.22Å; D294-R314 WeakPolarHBondContact OD2-CD 3.28Å; D294-F354 HydrophobicContact CB-CE2 4.16Å
295	S	92.8	Very high	90.4	Very high	9 Å²	9	47 Å²	47	6%	0.063	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-5.4	178.9	62.8	0	0	0	0	114.8	R312 P313	S295-R312 WeakPolarHBondContact OG-CA 3.33Å; S295-R312 WeakPolarHBondContact OG-CB 3.29Å; S295-P313 PolarHBondContact N-O 3.03Å; S295-P313 VanDerWaalsContact N-O 3.16Å; S295-P313 WeakPolarHBondContact OG-CD 3.48Å; S295-P313 PolarHBondContact OG-O 2.9Å
296	T	91.2	Very high	88.9	Confident	57 Å²	57	49.5 Å²	49.5	35%	0.35	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-22.2	170.9	71.5	0	0	0	0	112.2	D294 R312 R314	D294-T296 PolarHBondContact O-N 2.71Å; D294-T296 VanDerWaalsContact O-N 3.12Å; D294-T296 WeakPolarHBondContact OD1-CA 3.29Å; D294-T296 VanDerWaalsContact OD1-CB 3.27Å; D294-T296 WeakPolarHBondContact OD1-CB 3.07Å; D294-T296 PolarHBondContact OD1-N 3.17Å; D294-T296 PolarHBondContact OD1-OG1 3.25Å; D294-T296 PolarHBondContact OD2-OG1 3.12Å; T296-R312 HydrophobicContact CG2-CB 3.55Å; T296-R312 HydrophobicContact CG2-CG 4.37Å; T296-R314 HydrophobicContact CG2-CG 4.17Å
297	K	92.7	Very high	87.3	Confident	117 Å²	117	48.4 Å²	48.4	51%	0.509	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-22.1	-174.8	-63.3	-175.2	-179.6	-177.1	0	114	D294 Y349 F354	D294-K297 PolarHBondContact O-N 2.75Å; K297-Y349 VanDerWaalsContact O-CZ 3.25Å; K297-Y349 PolarHBondContact O-OH 3.37Å; K297-F354 HydrophobicContact CB-CE2 4.26Å; K297-F354 HydrophobicContact CB-CZ 3.97Å
298	N	94.3	Very high	85.7	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	28%	0.28	C	S	.	.			trans	-120.6	110.8	-177.7	-169.2	-28.7	0	0	0	109.3	D294 N300 I301 Y349 S351 D352 F354	D294-N298 PolarHBondContact O-N 3.17Å; N298-N300 VanDerWaalsContact OD1-CB 3.24Å; N298-N300 WeakPolarHBondContact OD1-CB 3.49Å; N298-N300 PolarHBondContact OD1-N 3.15Å; N298-N300 VanDerWaalsContact OD1-N 3.1Å; N298-I301 HydrophobicContact CB-CD1 4.17Å; N298-I301 PolarHBondContact O-N 2.9Å; N298-Y349 HydrophobicContact CB-CD2 4.44Å; N298-Y349 WeakPolarHBondContact OD1-CD2 3.41Å; N298-S351 PolarHBondContact ND2-O 3.33Å; N298-D352 VanDerWaalsContact ND2-C 3.35Å; N298-D352 WeakPolarHBondContact ND2-CA 3.27Å; N298-D352 PolarHBondContact ND2-O 3.27Å; N298-F354 HydrophobicContact CB-CE1 4.48Å; N298-F354 HydrophobicContact CB-CZ 4.05Å
299	D	90.8	Very high	84.3	Confident	91 Å²	91	54.8 Å²	54.8	49%	0.487	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-81.6	-13.3	-176.4	58.5	-5.9	0	0	0	113.5	I301 A302 S303 Y349	D299-I301 PolarHBondContact O-N 2.98Å; D299-I301 VanDerWaalsContact O-N 3.11Å; D299-A302 WeakPolarHBondContact O-CB 3.46Å; D299-A302 PolarHBondContact O-N 3.39Å; D299-S303 PolarHBondContact O-N 2.68Å; D299-Y349 WeakPolarHBondContact OD1-CD2 3.07Å; D299-Y349 VanDerWaalsContact OD1-CE2 3.25Å; D299-Y349 WeakPolarHBondContact OD1-CE2 3.17Å
300	N	93.8	Very high	83.3	Confident	8 Å²	8	58.9 Å²	58.9	4%	0.043	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-58	-23.3	166.6	-63.9	12.6	0	0	0	111.7	N298 S303 C348 Y349 D352	N298-N300 VanDerWaalsContact OD1-CB 3.24Å; N298-N300 WeakPolarHBondContact OD1-CB 3.49Å; N298-N300 PolarHBondContact OD1-N 3.15Å; N298-N300 VanDerWaalsContact OD1-N 3.1Å; N300-S303 PolarHBondContact O-OG 3.46Å; N300-C348 WeakPolarHBondContact OD1-CB 3.43Å; N300-Y349 PolarHBondContact ND2-O 3.13Å; N300-Y349 PolarHBondContact OD1-N 3.45Å; N300-D352 HydrophobicContact CB-CB 3.91Å
301	I	90.4	Very high	82.5	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-74.6	-37.3	175.8	-64.1	169.3	0	0	0	111.4	W293 D294 N298 D299 S303 K304 A307 D352	W293-I301 HydrophobicContact CD2-CD1 3.6Å; W293-I301 HydrophobicContact CD2-CG1 4.24Å; W293-I301 HydrophobicContact CE3-CD1 4.05Å; W293-I301 HydrophobicContact CG-CD1 3.94Å; W293-I301 HydrophobicContact CH2-CD1 4.43Å; W293-I301 HydrophobicContact CH2-CG2 3.3Å; W293-I301 HydrophobicContact CZ2-CB 4.11Å; W293-I301 HydrophobicContact CZ2-CD1 4.02Å; W293-I301 HydrophobicContact CZ2-CG1 3.84Å; W293-I301 HydrophobicContact CZ2-CG2 3.2Å; W293-I301 HydrophobicContact CZ3-CD1 4.44Å; W293-I301 HydrophobicContact CZ3-CG2 4.09Å; D294-I301 VanDerWaalsContact C-CD1 3.41Å; N298-I301 HydrophobicContact CB-CD1 4.17Å; N298-I301 PolarHBondContact O-N 2.9Å; D299-I301 PolarHBondContact O-N 2.98Å; D299-I301 VanDerWaalsContact O-N 3.11Å; I301-S303 VanDerWaalsContact C-N 3.3Å; I301-S303 PolarHBondContact O-N 3.41Å; I301-K304 WeakPolarHBondContact O-CB 3.37Å; I301-K304 PolarHBondContact O-N 3.22Å; I301-A307 HydrophobicContact CG2-CB 4.48Å; I301-D352 HydrophobicContact CG1-CB 3.75Å
302	A	76.6	Confident	81.8	Confident	49 Å²	49	66.8 Å²	66.8	41%	0.405	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-67	-35.6	-176.8	0	0	0	0	0	111.3	D299 K304 G305	D299-A302 WeakPolarHBondContact O-CB 3.46Å; D299-A302 PolarHBondContact O-N 3.39Å; A302-K304 PolarHBondContact O-N 2.94Å; A302-G305 PolarHBondContact O-N 3.11Å; A302-G305 VanDerWaalsContact O-N 3.12Å
303	S	71.5	Confident	81.4	Confident	91 Å²	91	67.5 Å²	67.5	64%	0.636	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-62.8	-21.9	175.8	62.4	0	0	0	0	113.2	D299 N300 I301 G305	D299-S303 PolarHBondContact O-N 2.68Å; N300-S303 PolarHBondContact O-OG 3.46Å; I301-S303 VanDerWaalsContact C-N 3.3Å; I301-S303 PolarHBondContact O-N 3.41Å; S303-G305 PolarHBondContact O-N 3.44Å
304	K	74.2	Confident	81.3	Confident	74 Å²	74	72.1 Å²	72.1	32%	0.322	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-74.6	-2.1	175.9	-60.5	-173.6	176.9	-171.9	0	113.7	D82 I301 A302 I306 D352	D82-K304 VanDerWaalsContact CG-NZ 3.26Å; D82-K304 IonicContact OD1-NZ 3.06Å; D82-K304 PolarHBondContact OD1-NZ 3Å; D82-K304 IonicContact OD2-NZ 3.91Å; D82-K304 PolarHBondContact OD2-NZ 3.18Å; I301-K304 WeakPolarHBondContact O-CB 3.37Å; I301-K304 PolarHBondContact O-N 3.22Å; A302-K304 PolarHBondContact O-N 2.94Å; K304-I306 HydrophobicContact CB-CD1 4.18Å; K304-I306 HydrophobicContact CB-CG1 4.28Å; K304-I306 PolarHBondContact O-N 2.9Å; K304-I306 VanDerWaalsContact O-N 3.17Å; K304-D352 WeakPolarHBondContact CE-OD2 3.41Å; K304-D352 IonicContact NZ-OD1 2.93Å; K304-D352 PolarHBondContact NZ-OD1 2.81Å; K304-D352 VanDerWaalsContact NZ-OD1 3.17Å; K304-D352 IonicContact NZ-OD2 3.24Å; K304-D352 PolarHBondContact NZ-OD2 3.23Å
305	G	68.2	Low	81.3	Confident	68 Å²	68	73.3 Å²	73.3	70%	0.701	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	4	176.4	0	0	0	0	0	115.1	A302 S303	A302-G305 PolarHBondContact O-N 3.11Å; A302-G305 VanDerWaalsContact O-N 3.12Å; S303-G305 PolarHBondContact O-N 3.44Å
306	I	64.4	Low	81.5	Confident	100 Å²	100	73.4 Å²	73.4	51%	0.513	39%	0.391	S	S	.	.	S	Bend	trans	-82.7	-25.3	-179.1	-55.5	173.2	0	0	0	111.2	K304	K304-I306 HydrophobicContact CB-CD1 4.18Å; K304-I306 HydrophobicContact CB-CG1 4.28Å; K304-I306 PolarHBondContact O-N 2.9Å; K304-I306 VanDerWaalsContact O-N 3.17Å
307	A	58.9	Low	81.9	Confident	15 Å²	15	71.2 Å²	71.2	12%	0.124	38%	0.377	C	S	.	.			trans	-119.8	101.8	-174.9	0	0	0	0	0	110.2	I301 Y311 P313	I301-A307 HydrophobicContact CG2-CB 4.48Å; A307-Y311 WeakPolarHBondContact CA-O 3.37Å; A307-Y311 WeakPolarHBondContact CB-O 3.36Å; A307-P313 HydrophobicContact CB-CG 4.44Å
308	G	61.1	Low	82.2	Confident	45 Å²	45	65.6 Å²	65.6	46%	0.464	35%	0.352	S	S	.	.			trans	-72.9	170.1	165.4	0	0	0	0	0	111.2	S310 Y311	G308-S310 PolarHBondContact O-N 3.41Å; G308-Y311 PolarHBondContact O-N 3.36Å; G308-Y311 VanDerWaalsContact O-N 3.09Å; G308-Y311 VanDerWaalsContact O-O 3.12Å
309	R	65.5	Low	82.4	Confident	243 Å²	243	65.8 Å²	65.8	92%	0.917	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-30	-179	-74.3	-174.3	177.2	-178.1	-0.6	114.2
310	S	75.4	Confident	82.8	Confident	124 Å²	124	61.4 Å²	61.4	87%	0.867	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-19.5	-177.8	53.4	0	0	0	0	115	G308	G308-S310 PolarHBondContact O-N 3.41Å
311	Y	80.5	Confident	83	Confident	146 Å²	146	61 Å²	61	57%	0.573	33%	0.328	S	S	*	.			trans	-119.7	106.9	-177.9	-178.9	-114.9	0	0	0	110.2	A307 G308 P313	A307-Y311 WeakPolarHBondContact CA-O 3.37Å; A307-Y311 WeakPolarHBondContact CB-O 3.36Å; G308-Y311 PolarHBondContact O-N 3.36Å; G308-Y311 VanDerWaalsContact O-N 3.09Å; G308-Y311 VanDerWaalsContact O-O 3.12Å; Y311-P313 HydrophobicContact CD1-CG 4.18Å; Y311-P313 HydrophobicContact CE1-CB 3.81Å; Y311-P313 HydrophobicContact CE1-CG 3.73Å; Y311-P313 VanDerWaalsContact O-CD 3.24Å; Y311-P313 WeakPolarHBondContact O-CD 3.31Å
312	R	84.1	Confident	83.3	Confident	142 Å²	142	61 Å²	61	54%	0.536	33%	0.328	S	S	.	.			trans	-114.8	81.6	-179.7	-60.7	-167.3	-175.8	-150.7	4.9	111	S295 T296	S295-R312 WeakPolarHBondContact OG-CA 3.33Å; S295-R312 WeakPolarHBondContact OG-CB 3.29Å; T296-R312 HydrophobicContact CG2-CB 3.55Å; T296-R312 HydrophobicContact CG2-CG 4.37Å
313	P	90.9	Very high	84.2	Confident	14 Å²	14	60.6 Å²	60.6	9%	0.091	32%	0.316	C	S	.	.			trans	-64.1	147.6	179.7	27.9	-35.8	0	0	0	112.4	W293 S295 A307 Y311	W293-P313 HydrophobicContact CH2-CG 3.92Å; W293-P313 HydrophobicContact CZ3-CB 3.86Å; W293-P313 HydrophobicContact CZ3-CG 3.61Å; S295-P313 PolarHBondContact N-O 3.03Å; S295-P313 VanDerWaalsContact N-O 3.16Å; S295-P313 WeakPolarHBondContact OG-CD 3.48Å; S295-P313 PolarHBondContact OG-O 2.9Å; A307-P313 HydrophobicContact CB-CG 4.44Å; Y311-P313 HydrophobicContact CD1-CG 4.18Å; Y311-P313 HydrophobicContact CE1-CB 3.81Å; Y311-P313 HydrophobicContact CE1-CG 3.73Å; Y311-P313 VanDerWaalsContact O-CD 3.24Å; Y311-P313 WeakPolarHBondContact O-CD 3.31Å
314	R	94.1	Very high	85.3	Confident	118 Å²	118	57.8 Å²	57.8	45%	0.445	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	130.8	175.9	-52.8	-172.9	-73.4	178	-3.4	110	Y291 W293 D294 T296	Y291-R314 HydrophobicContact CD1-CB 3.83Å; Y291-R314 HydrophobicContact CD2-CB 4.33Å; Y291-R314 HydrophobicContact CE1-CB 4.24Å; Y291-R314 HydrophobicContact CG-CB 3.89Å; W293-R314 CarbonylContact O-C 3.58Å; W293-R314 WeakPolarHBondContact O-CA 3.13Å; D294-R314 HydrophobicContact CB-CG 4.28Å; D294-R314 WeakPolarHBondContact OD1-CD 3.15Å; D294-R314 WeakPolarHBondContact OD1-CG 3.44Å; D294-R314 VanDerWaalsContact OD2-CD 3.22Å; D294-R314 WeakPolarHBondContact OD2-CD 3.28Å; T296-R314 HydrophobicContact CG2-CG 4.17Å
315	C	96.1	Very high	86.2	Confident	27 Å²	27	54.4 Å²	54.4	18%	0.182	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	153.9	-177.5	-67.4	0	0	0	0	111.7	T292 W293 F317	T292-C315 PolarHBondContact N-O 3.19Å; T292-C315 VanDerWaalsContact N-O 3.1Å; W293-C315 PolarHBondContact N-O 3.03Å; W293-C315 VanDerWaalsContact N-O 3.11Å; W293-C315 PolarHBondContact O-N 2.86Å; C315-F317 HydrophobicContact CB-CD1 3.51Å; C315-F317 HydrophobicContact CB-CD2 3.92Å; C315-F317 HydrophobicContact CB-CE1 3.2Å; C315-F317 HydrophobicContact CB-CE2 3.66Å; C315-F317 HydrophobicContact CB-CG 3.84Å; C315-F317 HydrophobicContact CB-CZ 3.28Å; C315-F317 WeakPolarHBondContact SG-CE1 3.32Å; C315-F317 WeakPolarHBondContact SG-CZ 3.16Å
316	R	97.7	Very high	87.4	Confident	12 Å²	12	56.2 Å²	56.2	5%	0.045	28%	0.276	C	S	.	.			trans	-103.6	72.9	168.6	-172.2	174	66.9	99.2	-3.1	108.1	D247 D278 K290 R319	D247-R316 IonicContact OD1-NH2 3.7Å; D278-R316 IonicContact OD1-NH1 2.83Å; D278-R316 PolarHBondContact OD1-NH1 2.9Å; D278-R316 IonicContact OD2-CZ 3.56Å; D278-R316 IonicContact OD2-NH1 3.48Å; D278-R316 PolarHBondContact OD2-NH1 2.96Å; D278-R316 IonicContact OD2-NH2 2.97Å; D278-R316 PolarHBondContact OD2-NH2 3.47Å; K290-R316 WeakPolarHBondContact O-CB 3.3Å; K290-R316 WeakPolarHBondContact O-CD 3.44Å; K290-R316 WeakPolarHBondContact O-CG 3.47Å; R316-R319 HydrophobicContact CG-CG 4.33Å; R316-R319 VanDerWaalsContact NH2-NH1 3.12Å; R316-R319 PolarHBondContact O-NE 3.3Å; R316-R319 PolarHBondContact O-NH2 3.42Å
317	F	98.6	Very high	88.7	Confident	10 Å²	10	56.1 Å²	56.1	4%	0.044	28%	0.283	C	S	.	.			trans	-77.2	-45.6	-178	-69.8	-30.4	0	0	0	110.8	D242 L243 N244 R246 T292 W293 C315	D242-F317 WeakPolarHBondContact OD1-CB 3.5Å; L243-F317 PolarHBondContact N-O 3.41Å; N244-F317 PolarHBondContact N-O 3.16Å; R246-F317 VanDerWaalsContact NH1-CE1 3.29Å; T292-F317 PolarHBondContact OG1-N 2.98Å; W293-F317 HydrophobicContact CB-CD2 3.72Å; W293-F317 HydrophobicContact CB-CE2 4.15Å; W293-F317 HydrophobicContact CD2-CD2 4.41Å; W293-F317 AromaticContact CD2-CE2 3.99Å; W293-F317 HydrophobicContact CD2-CE2 3.99Å; W293-F317 HydrophobicContact CE3-CE2 4.14Å; W293-F317 AromaticContact CG-CD2 3.94Å; W293-F317 HydrophobicContact CG-CD2 3.94Å; W293-F317 HydrophobicContact CG-CE2 4.02Å; C315-F317 HydrophobicContact CB-CD1 3.51Å; C315-F317 HydrophobicContact CB-CD2 3.92Å; C315-F317 HydrophobicContact CB-CE1 3.2Å; C315-F317 HydrophobicContact CB-CE2 3.66Å; C315-F317 HydrophobicContact CB-CG 3.84Å; C315-F317 HydrophobicContact CB-CZ 3.28Å; C315-F317 WeakPolarHBondContact SG-CE1 3.32Å; C315-F317 WeakPolarHBondContact SG-CZ 3.16Å
318	D	98.9	Very high	90.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	125.1	178.2	-43	-105	0	0	0	109.7	G241 T292 H353 I356	G241-D318 VanDerWaalsContact O-CA 3.25Å; G241-D318 WeakPolarHBondContact O-CA 3.27Å; T292-D318 WeakPolarHBondContact CB-OD2 3.27Å; T292-D318 HydrophobicContact CG2-CB 3.89Å; T292-D318 PolarHBondContact OG1-N 2.95Å; T292-D318 VanDerWaalsContact OG1-N 3.14Å; T292-D318 PolarHBondContact OG1-OD2 3.37Å; D318-H353 IonicContact OD1-ND1 3.28Å; D318-H353 PolarHBondContact OD1-ND1 3.41Å; D318-H353 IonicContact OD2-CE1 3.96Å; D318-H353 IonicContact OD2-CG 3.71Å; D318-H353 IonicContact OD2-ND1 3.68Å; D318-H353 PolarHBondContact OD2-ND1 3.02Å; D318-I356 HydrophobicContact CB-CD1 4.18Å; D318-I356 HydrophobicContact CB-CG2 4.43Å
319	R	98.7	Very high	91.8	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.015	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	152.9	-179	-51.2	-179.2	-171.2	-156.7	-3.9	109.4	G240 G241 L243 L245 D247 V250 R316 Y321	G240-R319 WeakPolarHBondContact CA-O 3.28Å; G241-R319 PolarHBondContact N-O 2.86Å; G241-R319 PolarHBondContact O-N 3.49Å; G241-R319 VanDerWaalsContact O-N 3.13Å; L243-R319 HydrophobicContact CD1-CB 3.9Å; L243-R319 HydrophobicContact CG-CB 4.41Å; L245-R319 PolarHBondContact O-NH2 3.41Å; D247-R319 IonicContact OD1-CZ 3.12Å; D247-R319 IonicContact OD1-NH1 2.68Å; D247-R319 IonicContact OD1-NH2 3.44Å; D247-R319 PolarHBondContact OD1-NH2 2.88Å; V250-R319 VanDerWaalsContact CG2-NH1 3.3Å; R316-R319 HydrophobicContact CG-CG 4.33Å; R316-R319 VanDerWaalsContact NH2-NH1 3.12Å; R316-R319 PolarHBondContact O-NE 3.3Å; R316-R319 PolarHBondContact O-NH2 3.42Å; R319-Y321 HydrophobicContact CB-CE2 4.35Å; R319-Y321 VanDerWaalsContact CD-OH 3.31Å; R319-Y321 WeakPolarHBondContact CD-OH 3.37Å
320	I	98.6	Very high	93.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129	167.4	-62.1	156.6	0	0	0	107.9	L76 L238 F239 L279 I356 C358	L76-I320 HydrophobicContact CD2-CD1 3.88Å; L76-I320 HydrophobicContact CD2-CG1 4.34Å; L76-I320 HydrophobicContact CD2-CG2 4.08Å; L76-I320 HydrophobicContact CG-CD1 4.07Å; L238-I320 HydrophobicContact CB-CG2 4.45Å; L238-I320 HydrophobicContact CD2-CG2 4.39Å; F239-I320 CarbonylContact O-C 3.59Å; F239-I320 WeakPolarHBondContact O-CA 3.45Å; L279-I320 HydrophobicContact CB-CB 4.48Å; L279-I320 WeakPolarHBondContact CB-O 3.31Å; L279-I320 HydrophobicContact CD1-CB 3.81Å; L279-I320 HydrophobicContact CD1-CG2 3.36Å; L279-I320 HydrophobicContact CG-CB 4.31Å; L279-I320 HydrophobicContact CG-CG2 4.07Å; L279-I320 PolarHBondContact N-O 3.49Å; I320-I356 HydrophobicContact CD1-CD1 3.5Å; I320-I356 HydrophobicContact CD1-CG1 3.87Å; I320-I356 HydrophobicContact CG1-CD1 3.58Å; I320-I356 HydrophobicContact CG1-CG1 4.46Å; I320-C358 HydrophobicContact CD1-CB 4.45Å
321	Y	98	Very high	93.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	147.7	170.3	-58.4	-73.6	0	0	0	109.7	L221 F225 L238 F239 L243 L245 L272 V277 D278 R319	L221-Y321 HydrophobicContact CD1-CE2 4.24Å; F225-Y321 HydrophobicContact CE1-CD1 4.37Å; F225-Y321 AromaticContact CE1-CD2 3.71Å; F225-Y321 HydrophobicContact CE1-CD2 3.71Å; F225-Y321 HydrophobicContact CE1-CE2 4.07Å; F225-Y321 AromaticContact CE1-CG 3.85Å; F225-Y321 HydrophobicContact CE1-CG 3.85Å; F225-Y321 HydrophobicContact CZ-CD1 4.37Å; F225-Y321 HydrophobicContact CZ-CD2 4.05Å; F225-Y321 HydrophobicContact CZ-CE1 4.35Å; F225-Y321 AromaticContact CZ-CE2 3.95Å; F225-Y321 HydrophobicContact CZ-CE2 3.95Å; F225-Y321 HydrophobicContact CZ-CG 4.24Å; L238-Y321 WeakPolarHBondContact CA-O 3.14Å; F239-Y321 AromaticContact CD1-CD2 3.8Å; F239-Y321 HydrophobicContact CD1-CD2 3.8Å; F239-Y321 HydrophobicContact CE1-CD2 4.02Å; F239-Y321 HydrophobicContact CE1-CE2 4.43Å; F239-Y321 PolarHBondContact N-O 2.77Å; F239-Y321 PolarHBondContact O-N 3.03Å; L243-Y321 HydrophobicContact CD1-CD2 3.88Å; L243-Y321 HydrophobicContact CD1-CE2 3.4Å; L243-Y321 VanDerWaalsContact CD1-CE2 3.4Å; L245-Y321 HydrophobicContact CD1-CE2 4.19Å; L245-Y321 WeakPolarHBondContact CD1-OH 3.33Å; L272-Y321 HydrophobicContact CD1-CD1 3.93Å; L272-Y321 HydrophobicContact CD1-CE1 3.97Å; L272-Y321 HydrophobicContact CD2-CD1 3.89Å; L272-Y321 HydrophobicContact CD2-CE1 3.58Å; L272-Y321 HydrophobicContact CG-CE1 4.42Å; V277-Y321 CarbonylContact O-C 3.15Å; V277-Y321 WeakPolarHBondContact O-CA 3.35Å; D278-Y321 HydrophobicContact CB-CD1 3.95Å; D278-Y321 HydrophobicContact CB-CE1 3.82Å; R319-Y321 HydrophobicContact CB-CE2 4.35Å; R319-Y321 VanDerWaalsContact CD-OH 3.31Å; R319-Y321 WeakPolarHBondContact CD-OH 3.37Å
322	M	97.2	Very high	94.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	139.5	179.9	-177.9	-176.2	-176.2	0	0	110.9	N236 I237 L238 I276 V277 L279 H324 L330 P332 F360	N236-M322 HydrophobicContact CB-CE 4.13Å; N236-M322 WeakPolarHBondContact OD1-CE 3.41Å; I237-M322 CarbonylContact O-C 3.55Å; I237-M322 VanDerWaalsContact O-CA 3.28Å; I237-M322 WeakPolarHBondContact O-CA 2.8Å; L238-M322 HydrophobicContact CG-CG 4.26Å; I276-M322 CarbonylContact C-O 3.51Å; I276-M322 WeakPolarHBondContact CA-O 3.49Å; V277-M322 HydrophobicContact CG2-CB 4.01Å; V277-M322 WeakPolarHBondContact CG2-O 3.26Å; V277-M322 PolarHBondContact N-O 3.22Å; V277-M322 PolarHBondContact O-N 2.97Å; L279-M322 HydrophobicContact CD2-CB 3.85Å; L279-M322 HydrophobicContact CD2-SD 4.22Å; L279-M322 HydrophobicContact CG-CB 4.32Å; M322-H324 VanDerWaalsContact CE-ND1 3.32Å; M322-H324 WeakPolarHBondContact CE-ND1 3.49Å; M322-H324 PolarHBondContact SD-CE1 3.36Å; M322-L330 HydrophobicContact CE-CB 3.61Å; M322-L330 HydrophobicContact CE-CD1 4.24Å; M322-P332 HydrophobicContact SD-CG 4.44Å; M322-F360 HydrophobicContact SD-CD1 4.27Å; M322-F360 HydrophobicContact SD-CE1 3.67Å
323	K	95.2	Very high	94.9	Very high	39 Å²	39	36.6 Å²	36.6	17%	0.17	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.3	158.5	174.5	-167.7	174.6	-167.5	0	107.4	M228 R229 A231 I237 I276	M228-K323 HydrophobicContact CE-CB 4.22Å; M228-K323 WeakPolarHBondContact O-CD 3.43Å; M228-K323 PolarHBondContact O-NZ 2.83Å; R229-K323 PolarHBondContact O-NZ 3.13Å; A231-K323 PolarHBondContact O-NZ 2.84Å; I237-K323 HydrophobicContact CG2-CB 3.64Å; I237-K323 HydrophobicContact CG2-CD 4.2Å; I237-K323 HydrophobicContact CG2-CG 4.43Å; I237-K323 PolarHBondContact N-O 2.81Å; I237-K323 PolarHBondContact O-N 3.06Å; I276-K323 HydrophobicContact CG1-CB 4.32Å
324	H	94.5	Very high	95	Very high	33 Å²	33	37.2 Å²	37.2	15%	0.153	19%	0.191	C	C	.	.			trans	-72.1	147.7	-178.8	-65.5	-74.6	0	0	0	111.7	M322 R328 L330	M322-H324 VanDerWaalsContact CE-ND1 3.32Å; M322-H324 WeakPolarHBondContact CE-ND1 3.49Å; M322-H324 PolarHBondContact SD-CE1 3.36Å; H324-R328 HydrophobicContact CB-CG 4.28Å; H324-R328 PolarHBondContact CE1-NE 3.35Å; H324-R328 PolarHBondContact CE1-NH2 2.97Å; H324-R328 PolarHBondContact ND1-NE 3.32Å; H324-R328 PolarHBondContact NE2-NH2 2.67Å; H324-L330 PolarHBondContact CE1-O 2.95Å; H324-L330 PolarHBondContact ND1-O 3.22Å
325	S	94.4	Very high	95	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.014	17%	0.173	C	C	.	.			trans	-65.9	161.4	162.2	63	0	0	0	0	111.3	S233 G234 N236 P327 R328 L329	S233-S325 CarbonylContact O-C 3.24Å; S233-S325 VanDerWaalsContact O-CA 3.29Å; S233-S325 WeakPolarHBondContact O-CA 3.5Å; G234-S325 WeakPolarHBondContact O-CB 3.35Å; N236-S325 VanDerWaalsContact ND2-CB 3.35Å; N236-S325 WeakPolarHBondContact ND2-CB 3.24Å; N236-S325 PolarHBondContact ND2-OG 3.18Å; N236-S325 PolarHBondContact OD1-N 3.1Å; N236-S325 PolarHBondContact OD1-OG 2.96Å; S325-P327 CarbonylContact C-O 3.56Å; S325-P327 WeakPolarHBondContact CB-O 3.34Å; S325-P327 CarbonylContact O-C 3.54Å; S325-P327 VanDerWaalsContact O-C 3.24Å; S325-P327 VanDerWaalsContact O-O 3.12Å; S325-P327 PolarHBondContact OG-O 3.37Å; S325-R328 VanDerWaalsContact O-CA 3.31Å; S325-R328 WeakPolarHBondContact O-CA 3.35Å; S325-R328 PolarHBondContact O-N 2.81Å; S325-L329 PolarHBondContact OG-N 3.34Å
326	T	92.4	Very high	94.9	Very high	106 Å²	106	33 Å²	33	65%	0.65	17%	0.173	S	C	*	.	S	Bend	trans	-122.5	113.3	168.8	-56.1	0	0	0	0	108	S233	S233-T326 PolarHBondContact O-N 3.38Å
327	P	92.5	Very high	94.9	Very high	99 Å²	99	32.8 Å²	32.8	64%	0.643	17%	0.173	S	C	*	.	S	Bend	cis	-65.6	158.7	-0.6	30.9	-36.4	0	0	0	112.5	S325 L329	S325-P327 CarbonylContact C-O 3.56Å; S325-P327 WeakPolarHBondContact CB-O 3.34Å; S325-P327 CarbonylContact O-C 3.54Å; S325-P327 VanDerWaalsContact O-C 3.24Å; S325-P327 VanDerWaalsContact O-O 3.12Å; S325-P327 PolarHBondContact OG-O 3.37Å; P327-L329 PolarHBondContact O-N 3.21Å
328	R	92.3	Very high	94.8	Very high	130 Å²	130	32.8 Å²	32.8	49%	0.491	17%	0.174	S	C	.	.			trans	-71.3	115.8	178.6	-169.8	-176.3	-148	-166.4	7	109.2	H324 S325 T363	H324-R328 HydrophobicContact CB-CG 4.28Å; H324-R328 PolarHBondContact CE1-NE 3.35Å; H324-R328 PolarHBondContact CE1-NH2 2.97Å; H324-R328 PolarHBondContact ND1-NE 3.32Å; H324-R328 PolarHBondContact NE2-NH2 2.67Å; S325-R328 VanDerWaalsContact O-CA 3.31Å; S325-R328 WeakPolarHBondContact O-CA 3.35Å; S325-R328 PolarHBondContact O-N 2.81Å; R328-T363 PolarHBondContact O-OG1 3.38Å
329	L	91.9	Very high	94.7	Very high	46 Å²	46	33.2 Å²	33.2	24%	0.241	18%	0.178	C	C	.	.			trans	-104.3	-24.9	178.7	-63.8	176.4	0	0	0	113.3	A198 S325 P327 L362 T363	A198-L329 HydrophobicContact CB-CD1 4.18Å; S325-L329 PolarHBondContact OG-N 3.34Å; P327-L329 PolarHBondContact O-N 3.21Å; L329-L362 HydrophobicContact CB-CD1 4.27Å; L329-L362 WeakPolarHBondContact O-CA 3.35Å; L329-T363 PolarHBondContact O-N 3.43Å; L329-T363 PolarHBondContact O-OG1 3.22Å
330	L	92.5	Very high	94.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.2	-177.5	-71.3	178.1	0	0	0	110.8	F74 L194 N236 M322 H324 F360 L362	F74-L330 HydrophobicContact CB-CD2 3.93Å; F74-L330 HydrophobicContact CD1-CD1 3.86Å; F74-L330 HydrophobicContact CD1-CD2 4.15Å; F74-L330 HydrophobicContact CE1-CD1 4.29Å; F74-L330 HydrophobicContact CG-CD2 4.43Å; L194-L330 HydrophobicContact CD1-CD1 4.2Å; N236-L330 HydrophobicContact CB-CD1 3.98Å; M322-L330 HydrophobicContact CE-CB 3.61Å; M322-L330 HydrophobicContact CE-CD1 4.24Å; H324-L330 PolarHBondContact CE1-O 2.95Å; H324-L330 PolarHBondContact ND1-O 3.22Å; L330-F360 HydrophobicContact CB-CD1 4.49Å; L330-F360 HydrophobicContact CD2-CB 4.16Å; L330-L362 HydrophobicContact CD2-CB 4.22Å; L330-L362 HydrophobicContact CD2-CD1 3.66Å; L330-L362 HydrophobicContact CG-CD1 4.32Å
331	T	92.6	Very high	94.3	Very high	44 Å²	44	47 Å²	47	27%	0.27	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.2	175.1	-61.6	0	0	0	0	109.7	T333 F360 Q361	T331-T333 PolarHBondContact O-N 2.99Å; T331-F360 CarbonylContact O-C 3.41Å; T331-F360 WeakPolarHBondContact O-CA 3.45Å; T331-Q361 PolarHBondContact N-O 3.08Å; T331-Q361 PolarHBondContact O-N 2.89Å
332	P	93.6	Very high	94.2	Very high	20 Å²	20	49.9 Å²	49.9	13%	0.13	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	133	175.5	-18.3	29.6	0	0	0	110.9	L279 M322 F360	L279-P332 HydrophobicContact CD2-CB 4.21Å; L279-P332 HydrophobicContact CD2-CG 3.71Å; M322-P332 HydrophobicContact SD-CG 4.44Å; P332-F360 HydrophobicContact CB-CD1 4.05Å; P332-F360 HydrophobicContact CB-CE1 4.13Å; P332-F360 HydrophobicContact CG-CD1 3.93Å; P332-F360 HydrophobicContact CG-CE1 3.9Å
333	T	92.2	Very high	94	Very high	65 Å²	65	50.9 Å²	50.9	40%	0.399	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	-25.9	-178	56.7	0	0	0	0	113.6	T331 C359 Q361	T331-T333 PolarHBondContact O-N 2.99Å; T333-C359 PolarHBondContact N-O 3.26Å; T333-C359 PolarHBondContact OG1-O 3.06Å; T333-Q361 HydrophobicContact CG2-CB 3.8Å
334	E	92.6	Very high	93.9	Very high	27 Å²	27	56.5 Å²	56.5	13%	0.126	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	144.3	-178	-170.6	176.5	-175.9	0	0	111	T106 N283 K336 C358 C359	T106-E334 WeakPolarHBondContact CB-OE2 3.47Å; T106-E334 PolarHBondContact N-OE2 3.1Å; T106-E334 VanDerWaalsContact OG1-CD 3.23Å; T106-E334 PolarHBondContact OG1-OE1 3.29Å; T106-E334 PolarHBondContact OG1-OE2 3.14Å; N283-E334 WeakPolarHBondContact OD1-CA 3.33Å; N283-E334 PolarHBondContact OD1-N 2.8Å; E334-K336 VanDerWaalsContact OE1-CD 3.26Å; E334-K336 WeakPolarHBondContact OE1-CD 3.47Å; E334-K336 VanDerWaalsContact OE1-CE 3.3Å; E334-K336 WeakPolarHBondContact OE1-CE 3.42Å; E334-K336 IonicContact OE1-NZ 3.66Å; E334-K336 PolarHBondContact OE1-NZ 3.01Å; E334-K336 IonicContact OE2-NZ 3.9Å; E334-C358 VanDerWaalsContact O-CA 3.31Å; E334-C358 WeakPolarHBondContact O-CA 3.4Å; E334-C359 HydrophobicContact CB-CB 4.01Å; E334-C359 PolarHBondContact N-O 3.07Å; E334-C359 PolarHBondContact O-N 2.93Å; E334-C359 PolarHBondContact OE2-SG 3.23Å
335	F	94.7	Very high	93.7	Very high	14 Å²	14	59.9 Å²	59.9	6%	0.061	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	119.1	166.6	-175.7	-74.8	0	0	0	108.4	L279 W280 N283 P286 E289 I356 L357 C358	L279-F335 HydrophobicContact CB-CD2 4.37Å; W280-F335 HydrophobicContact CB-CD1 4.47Å; W280-F335 HydrophobicContact CB-CD2 4.13Å; W280-F335 HydrophobicContact CB-CE1 4.22Å; W280-F335 HydrophobicContact CB-CE2 3.85Å; W280-F335 HydrophobicContact CB-CG 4.45Å; W280-F335 HydrophobicContact CB-CZ 3.9Å; W280-F335 AromaticContact CD1-CD1 3.83Å; W280-F335 AromaticContact CD1-CE1 3.71Å; W280-F335 HydrophobicContact CG-CE1 4.35Å; W280-F335 HydrophobicContact CG-CZ 4.46Å; N283-F335 HydrophobicContact CB-CB 3.69Å; P286-F335 HydrophobicContact CG-CD1 4.3Å; E289-F335 HydrophobicContact CB-CD1 4.12Å; E289-F335 HydrophobicContact CB-CE1 4.29Å; E289-F335 WeakPolarHBondContact O-CE1 3.45Å; F335-I356 HydrophobicContact CE1-CG2 4.22Å; F335-I356 HydrophobicContact CE2-CB 4.35Å; F335-I356 HydrophobicContact CE2-CG2 4.43Å; F335-I356 HydrophobicContact CZ-CB 4.02Å; F335-I356 HydrophobicContact CZ-CG2 3.65Å; F335-L357 WeakPolarHBondContact CA-O 3.22Å; F335-C358 WeakPolarHBondContact CD2-SG 3.17Å
336	K	95.2	Very high	93.5	Very high	41 Å²	41	60.9 Å²	60.9	18%	0.178	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	152.3	177.1	65.2	177.3	167.1	-153.8	0	113.2	V104 E334 L357	V104-K336 PolarHBondContact O-NZ 2.76Å; E334-K336 VanDerWaalsContact OE1-CD 3.26Å; E334-K336 WeakPolarHBondContact OE1-CD 3.47Å; E334-K336 VanDerWaalsContact OE1-CE 3.3Å; E334-K336 WeakPolarHBondContact OE1-CE 3.42Å; E334-K336 IonicContact OE1-NZ 3.66Å; E334-K336 PolarHBondContact OE1-NZ 3.01Å; E334-K336 IonicContact OE2-NZ 3.9Å; K336-L357 HydrophobicContact CG-CB 4.12Å; K336-L357 PolarHBondContact N-O 3.43Å; K336-L357 PolarHBondContact O-N 2.96Å
337	L	97.1	Very high	93.6	Very high	9 Å²	9	62.3 Å²	62.3	5%	0.047	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	143.6	170	-57.2	175.5	0	0	0	111.2	E289 Y291 T292 K340 F354 G355 I356	E289-L337 HydrophobicContact CB-CG 4.06Å; E289-L337 WeakPolarHBondContact OE2-CA 3.42Å; E289-L337 WeakPolarHBondContact OE2-CB 3.49Å; E289-L337 WeakPolarHBondContact OE2-CG 3.38Å; E289-L337 PolarHBondContact OE2-N 3.19Å; Y291-L337 WeakPolarHBondContact O-CD1 3.41Å; T292-L337 HydrophobicContact CG2-CD2 3.71Å; L337-K340 HydrophobicContact CB-CD 3.98Å; L337-K340 HydrophobicContact CB-CG 4.34Å; L337-K340 WeakPolarHBondContact O-CE 3.49Å; L337-K340 PolarHBondContact O-NZ 2.81Å; L337-F354 HydrophobicContact CB-CB 4.14Å; L337-F354 HydrophobicContact CD1-CB 4.35Å; L337-F354 HydrophobicContact CD1-CD2 4.13Å; L337-F354 HydrophobicContact CD2-CB 4.22Å; L337-F354 HydrophobicContact CG-CB 4.47Å; L337-G355 CarbonylContact C-O 3.43Å; L337-G355 WeakPolarHBondContact CA-O 3.44Å; L337-I356 HydrophobicContact CD2-CG2 3.81Å
338	V	96.4	Very high	93.7	Very high	10 Å²	10	58.3 Å²	58.3	6%	0.061	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	171.9	175.8	-53.2	0	0	0	0	110.4	L77 W79 L103 K340 G355 L357	L77-V338 HydrophobicContact CD1-CG2 3.51Å; W79-V338 HydrophobicContact CE3-CG2 4.47Å; L103-V338 HydrophobicContact CD1-CG1 4.24Å; L103-V338 HydrophobicContact CD2-CB 4.17Å; L103-V338 HydrophobicContact CD2-CG1 3.54Å; V338-K340 VanDerWaalsContact C-N 3.28Å; V338-K340 PolarHBondContact O-N 2.98Å; V338-G355 PolarHBondContact N-O 2.85Å; V338-G355 PolarHBondContact O-N 2.94Å; V338-G355 VanDerWaalsContact O-N 3.15Å; V338-L357 HydrophobicContact CG1-CB 3.96Å
339	G	96.3	Very high	94	Very high	8 Å²	8	53.9 Å²	53.9	8%	0.082	27%	0.27	C	S	.	.			trans	71.4	22.2	-178.8	0	0	0	0	0	114.2	R341	G339-R341 PolarHBondContact O-N 2.98Å
340	K	95.6	Very high	94.2	Very high	98 Å²	98	51.8 Å²	51.8	43%	0.426	26%	0.259	S	S	.	.			trans	-79.5	4.3	-176.3	-63.8	-172	-78.2	-157.2	0	114.7	E289 L337 V338 Y349 F354	E289-K340 IonicContact OE1-NZ 2.82Å; E289-K340 PolarHBondContact OE1-NZ 2.98Å; E289-K340 IonicContact OE2-NZ 3.57Å; E289-K340 PolarHBondContact OE2-NZ 2.72Å; E289-K340 VanDerWaalsContact OE2-NZ 3.12Å; L337-K340 HydrophobicContact CB-CD 3.98Å; L337-K340 HydrophobicContact CB-CG 4.34Å; L337-K340 WeakPolarHBondContact O-CE 3.49Å; L337-K340 PolarHBondContact O-NZ 2.81Å; V338-K340 VanDerWaalsContact C-N 3.28Å; V338-K340 PolarHBondContact O-N 2.98Å; K340-Y349 WeakPolarHBondContact O-CE1 3.42Å; K340-F354 HydrophobicContact CB-CD1 4.44Å; K340-F354 HydrophobicContact CB-CE1 4.33Å; K340-F354 HydrophobicContact CG-CD1 3.83Å; K340-F354 HydrophobicContact CG-CE1 4.05Å; K340-F354 HydrophobicContact CG-CG 4.31Å
341	R	94	Very high	94.5	Very high	196 Å²	196	51.8 Å²	51.8	74%	0.74	26%	0.259	S	S	*	.	S	Bend	trans	-114.3	139.3	-175.5	-66.1	-174.9	178.6	-174.3	-0.2	110.7	G339 P350	G339-R341 PolarHBondContact O-N 2.98Å; R341-P350 WeakPolarHBondContact O-CD 3.15Å
342	V	94.5	Very high	94.7	Very high	60 Å²	60	49.9 Å²	49.9	36%	0.364	25%	0.247	S	C	.	.			trans	-67.8	137.1	172.4	176	0	0	0	0	109.7	R344 Y349	V342-R344 PolarHBondContact O-N 3.4Å; V342-Y349 HydrophobicContact CG2-CD1 4.41Å; V342-Y349 HydrophobicContact CG2-CD2 4.08Å; V342-Y349 HydrophobicContact CG2-CE1 3.97Å; V342-Y349 HydrophobicContact CG2-CE2 3.59Å; V342-Y349 HydrophobicContact CG2-CG 4.45Å
343	I	94.7	Very high	95	Very high	22 Å²	22	49.3 Å²	49.3	11%	0.113	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-74.2	114.3	171.6	-55.6	166.6	0	0	0	107.7	R92 A95 S345 C346 L347 C348 P350	R92-I343 HydrophobicContact CB-CD1 4.4Å; R92-I343 HydrophobicContact CG-CD1 4.02Å; A95-I343 HydrophobicContact CB-CD1 3.39Å; A95-I343 HydrophobicContact CB-CG1 3.63Å; I343-S345 VanDerWaalsContact C-N 3.28Å; I343-S345 PolarHBondContact O-N 2.72Å; I343-C346 VanDerWaalsContact CB-SG 3.58Å; I343-C346 WeakPolarHBondContact CG2-SG 3.49Å; I343-C346 PolarHBondContact O-N 3.02Å; I343-L347 WeakPolarHBondContact O-CA 3.42Å; I343-L347 PolarHBondContact O-N 2.7Å; I343-C348 WeakPolarHBondContact CB-O 3.47Å; I343-C348 PolarHBondContact N-O 3.28Å; I343-P350 HydrophobicContact CD1-CB 4.23Å; I343-P350 HydrophobicContact CD1-CG 4.09Å; I343-P350 HydrophobicContact CG1-CG 4.07Å
344	R	91.5	Very high	95.3	Very high	157 Å²	157	46.5 Å²	46.5	59%	0.592	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-35.8	-173.3	-67.8	-176.7	178	172.1	-0.6	114	V342 L347	V342-R344 PolarHBondContact O-N 3.4Å; R344-L347 WeakPolarHBondContact O-CD2 3.49Å
345	S	90.1	Very high	95.6	Very high	104 Å²	104	45.2 Å²	45.2	73%	0.727	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-25	-175.1	52.8	0	0	0	0	114.3	I343	I343-S345 VanDerWaalsContact C-N 3.28Å; I343-S345 PolarHBondContact O-N 2.72Å
346	C	91.8	Very high	95.7	Very high	23 Å²	23	44.6 Å²	44.6	16%	0.155	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.7	4	-178.1	56.9	0	0	0	0	114	N88 I343 C348	N88-C346 HydrophobicContact CB-CB 3.97Å; I343-C346 VanDerWaalsContact CB-SG 3.58Å; I343-C346 WeakPolarHBondContact CG2-SG 3.49Å; I343-C346 PolarHBondContact O-N 3.02Å; C346-C348 PolarHBondContact O-N 2.75Å; C346-C348 VanDerWaalsContact O-N 3.13Å; C346-C348 PolarHBondContact SG-SG 3.45Å
347	L	94.1	Very high	95.8	Very high	135 Å²	135	42.7 Å²	42.7	71%	0.707	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	38.2	174.3	-55.5	179.1	0	0	0	113.6	I343 R344	I343-L347 WeakPolarHBondContact O-CA 3.42Å; I343-L347 PolarHBondContact O-N 2.7Å; R344-L347 WeakPolarHBondContact O-CD2 3.49Å
348	C	95	Very high	95.8	Very high	16 Å²	16	42.3 Å²	42.3	11%	0.108	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-136.9	162.3	173.9	62	0	0	0	0	110.7	N300 I343 C346	N300-C348 WeakPolarHBondContact OD1-CB 3.43Å; I343-C348 WeakPolarHBondContact CB-O 3.47Å; I343-C348 PolarHBondContact N-O 3.28Å; C346-C348 PolarHBondContact O-N 2.75Å; C346-C348 VanDerWaalsContact O-N 3.13Å; C346-C348 PolarHBondContact SG-SG 3.45Å
349	Y	96.9	Very high	95.7	Very high	37 Å²	37	41.8 Å²	41.8	15%	0.145	20%	0.203	C	C	.	.			trans	-72.3	157.3	170.9	-70.2	-93.5	0	0	0	110.5	R92 K297 N298 D299 N300 K340 V342 S351 F354	R92-Y349 WeakPolarHBondContact CD-O 3.38Å; K297-Y349 VanDerWaalsContact O-CZ 3.25Å; K297-Y349 PolarHBondContact O-OH 3.37Å; N298-Y349 HydrophobicContact CB-CD2 4.44Å; N298-Y349 WeakPolarHBondContact OD1-CD2 3.41Å; D299-Y349 WeakPolarHBondContact OD1-CD2 3.07Å; D299-Y349 VanDerWaalsContact OD1-CE2 3.25Å; D299-Y349 WeakPolarHBondContact OD1-CE2 3.17Å; N300-Y349 PolarHBondContact ND2-O 3.13Å; N300-Y349 PolarHBondContact OD1-N 3.45Å; K340-Y349 WeakPolarHBondContact O-CE1 3.42Å; V342-Y349 HydrophobicContact CG2-CD1 4.41Å; V342-Y349 HydrophobicContact CG2-CD2 4.08Å; V342-Y349 HydrophobicContact CG2-CE1 3.97Å; V342-Y349 HydrophobicContact CG2-CE2 3.59Å; V342-Y349 HydrophobicContact CG2-CG 4.45Å; Y349-S351 WeakPolarHBondContact CB-O 3.43Å; Y349-S351 PolarHBondContact O-N 3.28Å; Y349-F354 HydrophobicContact CD1-CE1 4.28Å; Y349-F354 HydrophobicContact CE1-CE1 4.32Å
350	P	97.7	Very high	95.5	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	20%	0.199	C	C	.	.	S	Bend	trans	-60.7	-25.4	176.1	-20.6	31.1	0	0	0	113.9	W79 R92 A95 V96 I99 R341 I343	W79-P350 HydrophobicContact CH2-CB 3.73Å; W79-P350 HydrophobicContact CH2-CG 4Å; W79-P350 HydrophobicContact CZ2-CB 3.75Å; W79-P350 HydrophobicContact CZ2-CG 4.17Å; R92-P350 WeakPolarHBondContact CB-O 3.48Å; A95-P350 HydrophobicContact CB-CB 4.44Å; A95-P350 HydrophobicContact CB-CG 4.34Å; V96-P350 HydrophobicContact CG2-CB 3.88Å; I99-P350 HydrophobicContact CD1-CG 3.94Å; R341-P350 WeakPolarHBondContact O-CD 3.15Å; I343-P350 HydrophobicContact CD1-CB 4.23Å; I343-P350 HydrophobicContact CD1-CG 4.09Å; I343-P350 HydrophobicContact CG1-CG 4.07Å
351	S	98.3	Very high	95.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.198	C	C	.	.			trans	-156.3	162.2	176.8	170.1	0	0	0	0	108.5	N80 N298 Y349 H353	N80-S351 WeakPolarHBondContact O-CB 3.29Å; N80-S351 PolarHBondContact O-OG 2.84Å; N298-S351 PolarHBondContact ND2-O 3.33Å; Y349-S351 WeakPolarHBondContact CB-O 3.43Å; Y349-S351 PolarHBondContact O-N 3.28Å; S351-H353 WeakPolarHBondContact CB-O 3.43Å; S351-H353 PolarHBondContact O-N 3.47Å; S351-H353 PolarHBondContact OG-N 3.37Å
352	D	97.2	Very high	95	Very high	5 Å²	5	32 Å²	32	3%	0.027	17%	0.165	C	C	.	.	S	Bend	trans	-72.7	-10	166.4	73.7	-45.4	0	0	0	112.9	D82 W293 N298 N300 I301 K304	D82-D352 WeakPolarHBondContact CB-OD1 3.39Å; D82-D352 VanDerWaalsContact CG-OD1 3.25Å; W293-D352 PolarHBondContact NE1-OD2 3.03Å; N298-D352 VanDerWaalsContact ND2-C 3.35Å; N298-D352 WeakPolarHBondContact ND2-CA 3.27Å; N298-D352 PolarHBondContact ND2-O 3.27Å; N300-D352 HydrophobicContact CB-CB 3.91Å; I301-D352 HydrophobicContact CG1-CB 3.75Å; K304-D352 WeakPolarHBondContact CE-OD2 3.41Å; K304-D352 IonicContact NZ-OD1 2.93Å; K304-D352 PolarHBondContact NZ-OD1 2.81Å; K304-D352 VanDerWaalsContact NZ-OD1 3.17Å; K304-D352 IonicContact NZ-OD2 3.24Å; K304-D352 PolarHBondContact NZ-OD2 3.23Å
353	H	98.5	Very high	94.3	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.037	19%	0.185	C	C	.	.	S	Bend	trans	-99.1	145.8	167.3	-69.5	-116.3	0	0	0	112.1	W79 N80 D242 T292 W293 D318 S351	W79-H353 PolarHBondContact NE1-O 2.98Å; N80-H353 HydrophobicContact CB-CB 4.15Å; D242-H353 IonicContact OD2-CE1 2.98Å; D242-H353 PolarHBondContact OD2-CE1 3.21Å; D242-H353 VanDerWaalsContact OD2-CE1 3.28Å; D242-H353 IonicContact OD2-NE2 3.97Å; T292-H353 CarbonylContact O-C 3.57Å; T292-H353 WeakPolarHBondContact O-CA 2.9Å; W293-H353 AromaticContact CD1-CD2 3.54Å; W293-H353 AromaticContact CD1-CE1 3.79Å; W293-H353 AromaticContact CD1-CG 3.96Å; W293-H353 AromaticContact CD1-NE2 3.37Å; W293-H353 AromaticContact NE1-NE2 4Å; D318-H353 IonicContact OD1-ND1 3.28Å; D318-H353 PolarHBondContact OD1-ND1 3.41Å; D318-H353 IonicContact OD2-CE1 3.96Å; D318-H353 IonicContact OD2-CG 3.71Å; D318-H353 IonicContact OD2-ND1 3.68Å; D318-H353 PolarHBondContact OD2-ND1 3.02Å; S351-H353 WeakPolarHBondContact CB-O 3.43Å; S351-H353 PolarHBondContact O-N 3.47Å; S351-H353 PolarHBondContact OG-N 3.37Å
354	F	98.4	Very high	94.3	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.026	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-83.9	137.2	158.1	-58	-54.6	0	0	0	109.7	T292 D294 K297 N298 L337 K340 Y349	T292-F354 PolarHBondContact O-N 3.24Å; D294-F354 HydrophobicContact CB-CE2 4.16Å; K297-F354 HydrophobicContact CB-CE2 4.26Å; K297-F354 HydrophobicContact CB-CZ 3.97Å; N298-F354 HydrophobicContact CB-CE1 4.48Å; N298-F354 HydrophobicContact CB-CZ 4.05Å; L337-F354 HydrophobicContact CB-CB 4.14Å; L337-F354 HydrophobicContact CD1-CB 4.35Å; L337-F354 HydrophobicContact CD1-CD2 4.13Å; L337-F354 HydrophobicContact CD2-CB 4.22Å; L337-F354 HydrophobicContact CG-CB 4.47Å; K340-F354 HydrophobicContact CB-CD1 4.44Å; K340-F354 HydrophobicContact CB-CE1 4.33Å; K340-F354 HydrophobicContact CG-CD1 3.83Å; K340-F354 HydrophobicContact CG-CE1 4.05Å; K340-F354 HydrophobicContact CG-CG 4.31Å; Y349-F354 HydrophobicContact CD1-CE1 4.28Å; Y349-F354 HydrophobicContact CE1-CE1 4.32Å
355	G	98.5	Very high	94.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	157.1	173.3	0	0	0	0	0	111.4	S78 W79 L337 V338	S78-G355 CarbonylContact O-C 3.5Å; S78-G355 VanDerWaalsContact O-CA 3.3Å; S78-G355 WeakPolarHBondContact O-CA 3.08Å; W79-G355 VanDerWaalsContact CD1-CA 3.46Å; W79-G355 VanDerWaalsContact CG-CA 3.49Å; L337-G355 CarbonylContact C-O 3.43Å; L337-G355 WeakPolarHBondContact CA-O 3.44Å; V338-G355 PolarHBondContact N-O 2.85Å; V338-G355 PolarHBondContact O-N 2.94Å; V338-G355 VanDerWaalsContact O-N 3.15Å
356	I	98.2	Very high	94.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.5	174.5	56.1	-178.1	0	0	0	109.6	L77 S78 T292 D318 I320 F335 L337	L77-I356 CarbonylContact C-O 3.49Å; L77-I356 VanDerWaalsContact CA-O 3.3Å; L77-I356 WeakPolarHBondContact CA-O 3.33Å; L77-I356 WeakPolarHBondContact CD1-O 3.39Å; S78-I356 PolarHBondContact N-O 3.07Å; S78-I356 WeakPolarHBondContact O-CG1 3.43Å; S78-I356 PolarHBondContact O-N 2.96Å; T292-I356 HydrophobicContact CG2-CG2 3.67Å; D318-I356 HydrophobicContact CB-CD1 4.18Å; D318-I356 HydrophobicContact CB-CG2 4.43Å; I320-I356 HydrophobicContact CD1-CD1 3.5Å; I320-I356 HydrophobicContact CD1-CG1 3.87Å; I320-I356 HydrophobicContact CG1-CD1 3.58Å; I320-I356 HydrophobicContact CG1-CG1 4.46Å; F335-I356 HydrophobicContact CE1-CG2 4.22Å; F335-I356 HydrophobicContact CE2-CB 4.35Å; F335-I356 HydrophobicContact CE2-CG2 4.43Å; F335-I356 HydrophobicContact CZ-CB 4.02Å; F335-I356 HydrophobicContact CZ-CG2 3.65Å; L337-I356 HydrophobicContact CD2-CG2 3.81Å
357	L	97	Very high	94.9	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120	168.6	-173.2	69.2	0	0	0	109.1	L77 L103 P122 F335 K336 V338	L77-L357 HydrophobicContact CB-CD1 4.02Å; L103-L357 HydrophobicContact CD2-CD2 4.41Å; P122-L357 HydrophobicContact CB-CD1 4.34Å; P122-L357 HydrophobicContact CG-CD1 4.08Å; F335-L357 WeakPolarHBondContact CA-O 3.22Å; K336-L357 HydrophobicContact CG-CB 4.12Å; K336-L357 PolarHBondContact N-O 3.43Å; K336-L357 PolarHBondContact O-N 2.96Å; V338-L357 HydrophobicContact CG1-CB 3.96Å
358	C	96.2	Very high	94.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.2	169.9	-64.7	0	0	0	0	109.1	S75 L76 L279 I320 E334 F335 F360	S75-C358 CarbonylContact C-O 3.51Å; S75-C358 VanDerWaalsContact CA-O 3.26Å; S75-C358 WeakPolarHBondContact CA-O 3.29Å; L76-C358 PolarHBondContact N-O 2.88Å; L76-C358 PolarHBondContact O-N 3.4Å; L279-C358 HydrophobicContact CD1-CB 4.03Å; I320-C358 HydrophobicContact CD1-CB 4.45Å; E334-C358 VanDerWaalsContact O-CA 3.31Å; E334-C358 WeakPolarHBondContact O-CA 3.4Å; F335-C358 WeakPolarHBondContact CD2-SG 3.17Å; C358-F360 HydrophobicContact CB-CE2 3.73Å; C358-F360 HydrophobicContact CB-CZ 3.94Å
359	C	94.4	Very high	94.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	150.4	173	-42.7	0	0	0	0	109.8	Q73 F74 C105 T333 E334	Q73-C359 HydrophobicContact CG-CB 4.34Å; Q73-C359 VanDerWaalsContact NE2-CB 3.32Å; F74-C359 CarbonylContact O-C 3.54Å; F74-C359 WeakPolarHBondContact O-CA 3.45Å; C105-C359 HydrophobicContact CB-CB 4.18Å; C105-C359 WeakPolarHBondContact CB-SG 3.19Å; C105-C359 WeakPolarHBondContact SG-CB 3.44Å; C105-C359 CovalentContact SG-SG 2.09Å; C105-C359 PolarHBondContact SG-SG 3.4Å; T333-C359 PolarHBondContact N-O 3.26Å; T333-C359 PolarHBondContact OG1-O 3.06Å; E334-C359 HydrophobicContact CB-CB 4.01Å; E334-C359 PolarHBondContact N-O 3.07Å; E334-C359 PolarHBondContact O-N 2.93Å; E334-C359 PolarHBondContact OE2-SG 3.23Å
360	F	93	Very high	94.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	138.2	-175	-52.3	-105.5	0	0	0	110.4	Q73 F74 L76 L238 L279 M322 L330 T331 P332 C358	Q73-F360 WeakPolarHBondContact CA-O 3.28Å; Q73-F360 WeakPolarHBondContact CG-O 3.42Å; F74-F360 HydrophobicContact CB-CB 4.28Å; F74-F360 HydrophobicContact CD1-CB 4.1Å; F74-F360 AromaticContact CD1-CD2 3.27Å; F74-F360 HydrophobicContact CD1-CD2 3.27Å; F74-F360 AromaticContact CD1-CE2 3.73Å; F74-F360 HydrophobicContact CD1-CE2 3.73Å; F74-F360 AromaticContact CD1-CG 3.78Å; F74-F360 HydrophobicContact CD1-CG 3.78Å; F74-F360 AromaticContact CE1-CD2 3.68Å; F74-F360 HydrophobicContact CE1-CD2 3.68Å; F74-F360 AromaticContact CE1-CE2 3.6Å; F74-F360 HydrophobicContact CE1-CE2 3.6Å; F74-F360 HydrophobicContact CE1-CG 4.4Å; F74-F360 HydrophobicContact CE1-CZ 4.25Å; F74-F360 HydrophobicContact CG-CD2 4.12Å; F74-F360 PolarHBondContact N-O 3.24Å; F74-F360 WeakPolarHBondContact O-CD2 2.9Å; F74-F360 PolarHBondContact O-N 3.06Å; L76-F360 HydrophobicContact CB-CE2 4.36Å; L238-F360 HydrophobicContact CD2-CE1 4.15Å; L238-F360 HydrophobicContact CD2-CE2 4.02Å; L238-F360 HydrophobicContact CD2-CZ 3.46Å; L238-F360 VanDerWaalsContact CD2-CZ 3.46Å; L279-F360 HydrophobicContact CD1-CE1 3.87Å; L279-F360 HydrophobicContact CD1-CE2 4.49Å; L279-F360 HydrophobicContact CD1-CZ 3.4Å; L279-F360 HydrophobicContact CD2-CE1 4.02Å; L279-F360 HydrophobicContact CD2-CZ 4.41Å; M322-F360 HydrophobicContact SD-CD1 4.27Å; M322-F360 HydrophobicContact SD-CE1 3.67Å; L330-F360 HydrophobicContact CB-CD1 4.49Å; L330-F360 HydrophobicContact CD2-CB 4.16Å; T331-F360 CarbonylContact O-C 3.41Å; T331-F360 WeakPolarHBondContact O-CA 3.45Å; P332-F360 HydrophobicContact CB-CD1 4.05Å; P332-F360 HydrophobicContact CB-CE1 4.13Å; P332-F360 HydrophobicContact CG-CD1 3.93Å; P332-F360 HydrophobicContact CG-CE1 3.9Å; C358-F360 HydrophobicContact CB-CE2 3.73Å; C358-F360 HydrophobicContact CB-CZ 3.94Å
361	Q	89.9	Confident	94.5	Very high	84 Å²	84	18.6 Å²	18.6	39%	0.393	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	126.6	166.8	-173.8	171.6	13.2	0	0	109.4	T331 T333	T331-Q361 PolarHBondContact N-O 3.08Å; T331-Q361 PolarHBondContact O-N 2.89Å; T333-Q361 HydrophobicContact CG2-CB 3.8Å
362	L	88	Confident	94.2	Very high	12 Å²	12	20.2 Å²	20.2	6%	0.063	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	122.5	168.2	-175.6	69.7	0	0	0	108.8	K72 F195 K197 A198 L329 L330	K72-L362 HydrophobicContact CB-CB 4.45Å; K72-L362 HydrophobicContact CB-CD2 4.17Å; K72-L362 VanDerWaalsContact O-CB 3.24Å; K72-L362 WeakPolarHBondContact O-CB 3.43Å; K72-L362 PolarHBondContact O-N 3.43Å; F195-L362 HydrophobicContact CB-CD2 4.32Å; F195-L362 HydrophobicContact CD2-CD2 3.93Å; F195-L362 HydrophobicContact CG-CD2 4.48Å; K197-L362 HydrophobicContact CB-CD2 4.42Å; A198-L362 HydrophobicContact CB-CD1 3.56Å; L329-L362 HydrophobicContact CB-CD1 4.27Å; L329-L362 WeakPolarHBondContact O-CA 3.35Å; L330-L362 HydrophobicContact CD2-CB 4.22Å; L330-L362 HydrophobicContact CD2-CD1 3.66Å; L330-L362 HydrophobicContact CG-CD1 4.32Å
363	T	81.4	Confident	94	Very high	125 Å²	125	21.5 Å²	21.5	77%	0.767	12%	0.118	S	C	*	.			trans	-97.1	0	176.9	49.9	0	0	0	0	112.7	R328 L329	R328-T363 PolarHBondContact O-OG1 3.38Å; L329-T363 PolarHBondContact O-N 3.43Å; L329-T363 PolarHBondContact O-OG1 3.22Å

Retrieved 363 of 363 residues in 430.9 ms (Link to these results)

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