A0A096N760_PAPAN Loading...

Calpain-6

Microtubule-stabilizing protein that may be involved in the regulation of microtubule dynamics and cytoskeletal organization. May act as a regulator of RAC1 activity through interaction with ARHGEF2 to control lamellipodial formation and cell mobility. Does not seem to have protease activity as it has lost the active site residues.

AlphaFold DB (G7Q3H2), UniProt , Accession A0A096N760, Species PAPAN (Papio anubis, Olive baboon), Gene CAPN6, Length 641 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	31.9	Very low	80.7	Confident	246 Å²	246	98.3 Å²	98.3	100%	1.212	54%	0.54	S	S	*	.				0	119.4	0	-71.6	-173.9	-89.7	0	0	106.7
2	G	52.1	Low	82.1	Confident	66 Å²	66	98.1 Å²	98.1	68%	0.68	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-69.3	168.5	178	0	0	0	0	0	111.6
3	P	58.6	Low	83.3	Confident	88 Å²	88	90.8 Å²	90.8	57%	0.571	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-55.7	144.9	172.3	24.7	-32.6	0	0	0	110.1
4	P	76.3	Confident	84.2	Confident	120 Å²	120	90.3 Å²	90.3	78%	0.779	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-60.1	144.4	179.3	25.7	-33	0	0	0	110.5	K6	P4-K6 PolarHBondContact O-N 2.89Å
5	L	90.4	Very high	85.1	Confident	67 Å²	67	91.3 Å²	91.3	35%	0.351	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-63.2	123	175	-179.4	68.1	0	0	0	109.4	R124 W131 E133	L5-R124 HydrophobicContact CD1-CG 4.27Å; L5-W131 HydrophobicContact CD1-CB 3.93Å; L5-E133 HydrophobicContact CD1-CB 4.15Å; L5-E133 HydrophobicContact CD2-CB 4Å; L5-E133 WeakPolarHBondContact CD2-OE2 3.39Å; L5-E133 HydrophobicContact CG-CB 4.1Å
6	K	95.3	Very high	85.9	Confident	108 Å²	108	88 Å²	88	47%	0.47	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	137.2	176.6	-173.8	179.3	-162.4	159.3	0	109.9	P4 E130 W131 T132 E133	P4-K6 PolarHBondContact O-N 2.89Å; K6-E130 WeakPolarHBondContact CD-OE2 3.3Å; K6-E130 IonicContact NZ-OE2 3.58Å; K6-E130 PolarHBondContact NZ-OE2 2.59Å; K6-W131 WeakPolarHBondContact CB-O 3.23Å; K6-W131 PolarHBondContact N-O 2.92Å; K6-T132 HydrophobicContact CG-CG2 4.5Å; K6-T132 CarbonylContact O-C 3.58Å; K6-T132 VanDerWaalsContact O-CA 3.3Å; K6-T132 WeakPolarHBondContact O-CA 3.37Å; K6-E133 PolarHBondContact O-N 2.91Å
7	L	96.9	Very high	86.5	Confident	54 Å²	54	84.8 Å²	84.8	28%	0.283	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	118.6	175.9	-57.9	-178.5	0	0	0	109.5	K9 N10 K12 E133	L7-K9 PolarHBondContact O-N 2.89Å; L7-N10 PolarHBondContact O-N 3.32Å; L7-K12 HydrophobicContact CD1-CG 3.52Å; L7-E133 HydrophobicContact CD2-CB 4.1Å
8	F	96.6	Very high	87	Confident	34 Å²	34	87.3 Å²	87.3	15%	0.149	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-64	127.9	177.9	-173.1	-106	0	0	0	110.2	N10 Q11 T132 E133 V134 K169 L170	F8-N10 PolarHBondContact O-N 3.5Å; F8-Q11 PolarHBondContact O-N 2.89Å; F8-Q11 VanDerWaalsContact O-N 3.1Å; F8-T132 HydrophobicContact CB-CG2 3.88Å; F8-T132 HydrophobicContact CD2-CG2 4.41Å; F8-E133 VanDerWaalsContact CB-O 3.28Å; F8-E133 WeakPolarHBondContact CB-O 3.14Å; F8-E133 PolarHBondContact N-O 3.05Å; F8-V134 HydrophobicContact CB-CB 4.47Å; F8-V134 HydrophobicContact CB-CG2 3.91Å; F8-V134 HydrophobicContact CD1-CG1 4.3Å; F8-V134 HydrophobicContact CG-CG2 4.19Å; F8-K169 HydrophobicContact CD1-CG 4.43Å; F8-K169 HydrophobicContact CE1-CD 4.31Å; F8-K169 HydrophobicContact CE1-CG 3.83Å; F8-L170 HydrophobicContact CD2-CD1 3.72Å; F8-L170 HydrophobicContact CE2-CD1 3.85Å
9	K	95.9	Very high	87.6	Confident	138 Å²	138	87.5 Å²	87.5	60%	0.6	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	51.7	27.7	-176.1	-57.1	-70.7	-177.4	175.4	0	113.6	L7 Q11 T31	L7-K9 PolarHBondContact O-N 2.89Å; K9-Q11 PolarHBondContact O-N 3.14Å; K9-Q11 VanDerWaalsContact O-N 3.14Å; K9-T31 HydrophobicContact CB-CG2 4.04Å; K9-T31 HydrophobicContact CG-CG2 4.18Å
10	N	96.2	Very high	88	Confident	143 Å²	143	83.2 Å²	83.2	77%	0.765	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	57.5	19.6	-177.5	-55.9	-44.7	0	0	0	114.7	L7 F8 K12	L7-N10 PolarHBondContact O-N 3.32Å; F8-N10 PolarHBondContact O-N 3.5Å; N10-K12 PolarHBondContact O-N 3.16Å
11	Q	97.7	Very high	88.4	Confident	17 Å²	17	81.7 Å²	81.7	8%	0.079	43%	0.427	C	S	.	.			trans	-74.4	125.3	178	-71.9	177.3	-48.9	0	0	110.4	F8 K9 L16 D29 T31 V135	F8-Q11 PolarHBondContact O-N 2.89Å; F8-Q11 VanDerWaalsContact O-N 3.1Å; K9-Q11 PolarHBondContact O-N 3.14Å; K9-Q11 VanDerWaalsContact O-N 3.14Å; Q11-L16 HydrophobicContact CB-CD1 3.86Å; Q11-L16 HydrophobicContact CG-CD1 4.15Å; Q11-D29 PolarHBondContact NE2-OD1 2.91Å; Q11-T31 PolarHBondContact NE2-OG1 3.01Å; Q11-T31 PolarHBondContact OE1-OG1 3.05Å; Q11-V135 HydrophobicContact CB-CB 4.23Å; Q11-V135 HydrophobicContact CB-CG2 4.12Å
12	K	97.3	Very high	91.4	Very high	96 Å²	96	78.4 Å²	78.4	42%	0.417	41%	0.406	S	S	.	.			trans	-104.7	107.8	176.8	-68.5	170.5	176.9	178.3	0	109.7	L7 N10 Q14 E15 L16	L7-K12 HydrophobicContact CD1-CG 3.52Å; N10-K12 PolarHBondContact O-N 3.16Å; K12-Q14 VanDerWaalsContact C-N 3.34Å; K12-Q14 PolarHBondContact O-N 2.79Å; K12-E15 HydrophobicContact CB-CB 4.22Å; K12-E15 HydrophobicContact CB-CG 4.27Å; K12-E15 HydrophobicContact CD-CG 4.25Å; K12-E15 WeakPolarHBondContact CD-OE1 3.46Å; K12-E15 WeakPolarHBondContact CD-OE2 3.27Å; K12-E15 IonicContact NZ-OE1 3.98Å; K12-E15 PolarHBondContact NZ-OE1 3.03Å; K12-E15 IonicContact NZ-OE2 3.4Å; K12-E15 PolarHBondContact NZ-OE2 2.66Å; K12-E15 PolarHBondContact O-N 3.49Å; K12-L16 WeakPolarHBondContact O-CG 3.18Å; K12-L16 PolarHBondContact O-N 2.85Å; K12-L16 VanDerWaalsContact O-N 3.09Å
13	Y	97.2	Very high	93.5	Very high	4 Å²	4	79.2 Å²	79.2	2%	0.016	39%	0.394	C	S	.	.	H	α-helix	trans	-50.9	-47.7	-175	170.3	-96.1	0	0	0	113.8	L16 K17 I120 R122 V135	Y13-L16 PolarHBondContact O-N 3.08Å; Y13-K17 HydrophobicContact CE1-CD 4.06Å; Y13-K17 HydrophobicContact CE2-CD 4.37Å; Y13-K17 VanDerWaalsContact O-CB 3.27Å; Y13-K17 WeakPolarHBondContact O-CB 3.19Å; Y13-K17 PolarHBondContact O-N 3.44Å; Y13-K17 WeakPolarHBondContact OH-CD 3.41Å; Y13-K17 PolarHBondContact OH-NZ 2.88Å; Y13-I120 HydrophobicContact CD2-CD1 4.32Å; Y13-I120 HydrophobicContact CD2-CG1 4.12Å; Y13-I120 HydrophobicContact CE2-CG1 4.18Å; Y13-I120 HydrophobicContact CE2-CG2 4.2Å; Y13-R122 HydrophobicContact CD1-CG 4.3Å; Y13-R122 HydrophobicContact CD2-CB 3.76Å; Y13-R122 HydrophobicContact CD2-CG 3.86Å; Y13-R122 HydrophobicContact CE2-CB 4.36Å; Y13-R122 HydrophobicContact CE2-CG 4.14Å; Y13-R122 HydrophobicContact CG-CB 4.05Å; Y13-R122 HydrophobicContact CG-CG 3.93Å; Y13-V135 HydrophobicContact CD2-CG1 4.49Å
14	Q	95.9	Very high	95.2	Very high	83 Å²	83	80.5 Å²	80.5	39%	0.388	41%	0.405	S	S	.	.	H	α-helix	trans	-67.4	-40.8	-174.6	-64.1	-63.7	-3	0	0	112.4	K12 Q18 R122	K12-Q14 VanDerWaalsContact C-N 3.34Å; K12-Q14 PolarHBondContact O-N 2.79Å; Q14-Q18 WeakPolarHBondContact O-CB 3.11Å; Q14-Q18 WeakPolarHBondContact O-CG 3.35Å; Q14-Q18 PolarHBondContact O-N 2.5Å; Q14-R122 VanDerWaalsContact NE2-NH1 3.14Å
15	E	97.4	Very high	96.2	Very high	106 Å²	106	79.4 Å²	79.4	50%	0.495	39%	0.386	S	S	.	.	H	α-helix	trans	-65.8	-47.4	178.5	-66.7	177.6	-165.2	0	0	110.2	K12 K17 Q18 E19	K12-E15 HydrophobicContact CB-CB 4.22Å; K12-E15 HydrophobicContact CB-CG 4.27Å; K12-E15 HydrophobicContact CD-CG 4.25Å; K12-E15 WeakPolarHBondContact CD-OE1 3.46Å; K12-E15 WeakPolarHBondContact CD-OE2 3.27Å; K12-E15 IonicContact NZ-OE1 3.98Å; K12-E15 PolarHBondContact NZ-OE1 3.03Å; K12-E15 IonicContact NZ-OE2 3.4Å; K12-E15 PolarHBondContact NZ-OE2 2.66Å; K12-E15 PolarHBondContact O-N 3.49Å; E15-K17 PolarHBondContact O-N 2.69Å; E15-Q18 PolarHBondContact O-N 2.86Å; E15-E19 WeakPolarHBondContact O-CB 3.26Å; E15-E19 PolarHBondContact O-N 2.89Å
16	L	97.8	Very high	96.5	Very high	38 Å²	38	79.4 Å²	79.4	20%	0.199	39%	0.386	C	S	.	.	H	α-helix	trans	-62.5	-42.5	178.3	-67.6	171.7	0	0	0	112.4	Q11 K12 Y13 E19 C20 F27 I120 V135	Q11-L16 HydrophobicContact CB-CD1 3.86Å; Q11-L16 HydrophobicContact CG-CD1 4.15Å; K12-L16 WeakPolarHBondContact O-CG 3.18Å; K12-L16 PolarHBondContact O-N 2.85Å; K12-L16 VanDerWaalsContact O-N 3.09Å; Y13-L16 PolarHBondContact O-N 3.08Å; L16-E19 PolarHBondContact O-N 3.11Å; L16-C20 WeakPolarHBondContact O-CB 3.35Å; L16-C20 PolarHBondContact O-N 3.34Å; L16-C20 PolarHBondContact O-SG 2.9Å; L16-F27 HydrophobicContact CB-CE2 4.43Å; L16-F27 HydrophobicContact CD1-CE2 4.13Å; L16-F27 HydrophobicContact CD1-CZ 4.15Å; L16-F27 HydrophobicContact CD2-CE2 4.23Å; L16-I120 HydrophobicContact CB-CD1 3.63Å; L16-V135 HydrophobicContact CD1-CG1 4.29Å
17	K	96.6	Very high	96.6	Very high	33 Å²	33	74.6 Å²	74.6	14%	0.143	37%	0.365	C	S	.	.	H	α-helix	trans	-64.1	-46.1	176.9	-179.2	168.3	-179	163.8	0	111.2	Y13 E15 E19 C20 V21 E106 K116 I120	Y13-K17 HydrophobicContact CE1-CD 4.06Å; Y13-K17 HydrophobicContact CE2-CD 4.37Å; Y13-K17 VanDerWaalsContact O-CB 3.27Å; Y13-K17 WeakPolarHBondContact O-CB 3.19Å; Y13-K17 PolarHBondContact O-N 3.44Å; Y13-K17 WeakPolarHBondContact OH-CD 3.41Å; Y13-K17 PolarHBondContact OH-NZ 2.88Å; E15-K17 PolarHBondContact O-N 2.69Å; K17-E19 VanDerWaalsContact C-N 3.33Å; K17-E19 PolarHBondContact O-N 2.76Å; K17-C20 PolarHBondContact O-N 3.11Å; K17-V21 HydrophobicContact CG-CG2 4.37Å; K17-V21 WeakPolarHBondContact O-CB 3.18Å; K17-V21 VanDerWaalsContact O-CG2 3.27Å; K17-V21 WeakPolarHBondContact O-CG2 3.24Å; K17-V21 PolarHBondContact O-N 3.11Å; K17-E106 PolarHBondContact NZ-O 2.98Å; K17-K116 WeakPolarHBondContact CE-O 3.39Å; K17-I120 HydrophobicContact CB-CG2 3.84Å; K17-I120 HydrophobicContact CD-CG2 4.13Å; K17-I120 HydrophobicContact CG-CG2 3.88Å
18	Q	96.3	Very high	96.6	Very high	130 Å²	130	75.7 Å²	75.7	61%	0.607	38%	0.376	S	S	*	.	H	α-helix	trans	-61.6	-41.4	178.7	-76.2	172.6	1	0	0	112.1	Q14 E15 K22	Q14-Q18 WeakPolarHBondContact O-CB 3.11Å; Q14-Q18 WeakPolarHBondContact O-CG 3.35Å; Q14-Q18 PolarHBondContact O-N 2.5Å; E15-Q18 PolarHBondContact O-N 2.86Å; Q18-K22 VanDerWaalsContact O-CB 3.26Å; Q18-K22 WeakPolarHBondContact O-CB 3.32Å; Q18-K22 PolarHBondContact O-N 3.16Å
19	E	97.3	Very high	96.7	Very high	91 Å²	91	74.2 Å²	74.2	43%	0.425	37%	0.37	S	S	.	.	H	α-helix	trans	-61.6	-49.1	175.3	-170.1	-170.4	146.3	0	0	111.4	E15 L16 K17 V21 K22 D23 R25	E15-E19 WeakPolarHBondContact O-CB 3.26Å; E15-E19 PolarHBondContact O-N 2.89Å; L16-E19 PolarHBondContact O-N 3.11Å; K17-E19 VanDerWaalsContact C-N 3.33Å; K17-E19 PolarHBondContact O-N 2.76Å; E19-V21 PolarHBondContact O-N 2.77Å; E19-K22 PolarHBondContact O-N 3.12Å; E19-D23 WeakPolarHBondContact O-CB 3.19Å; E19-D23 VanDerWaalsContact O-CG 3.31Å; E19-D23 PolarHBondContact O-N 3.05Å; E19-R25 IonicContact OE1-CZ 3.3Å; E19-R25 IonicContact OE1-NH2 3.57Å; E19-R25 PolarHBondContact OE1-NH2 2.86Å
20	C	97.1	Very high	96.7	Very high	1 Å²	1	72.1 Å²	72.1	1%	0.007	37%	0.37	C	S	.	.	H	α-helix	trans	-62	-42.1	179.7	-67	0	0	0	0	112.5	L16 K17 D23 S24 R25 A118	L16-C20 WeakPolarHBondContact O-CB 3.35Å; L16-C20 PolarHBondContact O-N 3.34Å; L16-C20 PolarHBondContact O-SG 2.9Å; K17-C20 PolarHBondContact O-N 3.11Å; C20-D23 PolarHBondContact O-N 2.94Å; C20-S24 PolarHBondContact O-N 3.48Å; C20-R25 CarbonylContact C-O 3.37Å; C20-R25 HydrophobicContact CB-CG 4.36Å; C20-R25 WeakPolarHBondContact CB-O 3.31Å; C20-R25 PolarHBondContact O-N 2.63Å; C20-A118 HydrophobicContact CB-CB 3.75Å
21	V	95.4	Very high	96.7	Very high	53 Å²	53	68 Å²	68	32%	0.321	35%	0.35	S	S	.	.	H	α-helix	trans	-63.2	-46.1	175.3	170.2	0	0	0	0	110.9	K17 E19 D23 S24 A118	K17-V21 HydrophobicContact CG-CG2 4.37Å; K17-V21 WeakPolarHBondContact O-CB 3.18Å; K17-V21 VanDerWaalsContact O-CG2 3.27Å; K17-V21 WeakPolarHBondContact O-CG2 3.24Å; K17-V21 PolarHBondContact O-N 3.11Å; E19-V21 PolarHBondContact O-N 2.77Å; V21-D23 VanDerWaalsContact C-N 3.31Å; V21-D23 PolarHBondContact O-N 3.38Å; V21-S24 PolarHBondContact O-N 3.29Å; V21-A118 HydrophobicContact CG2-CB 3.98Å
22	K	96.1	Very high	96.7	Very high	177 Å²	177	67.6 Å²	67.6	77%	0.77	35%	0.348	S	S	*	.	H	α-helix	trans	-60.6	-41.6	178.8	-178.2	-172.9	174.2	-168.2	0	111.9	Q18 E19 S24	Q18-K22 VanDerWaalsContact O-CB 3.26Å; Q18-K22 WeakPolarHBondContact O-CB 3.32Å; Q18-K22 PolarHBondContact O-N 3.16Å; E19-K22 PolarHBondContact O-N 3.12Å; K22-S24 VanDerWaalsContact C-N 3.27Å; K22-S24 PolarHBondContact O-N 3.39Å
23	D	95.9	Very high	96.6	Very high	82 Å²	82	66.6 Å²	66.6	44%	0.439	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-0.5	-178.4	-64	-13.2	0	0	0	112.9	E19 C20 V21 R25	E19-D23 WeakPolarHBondContact O-CB 3.19Å; E19-D23 VanDerWaalsContact O-CG 3.31Å; E19-D23 PolarHBondContact O-N 3.05Å; C20-D23 PolarHBondContact O-N 2.94Å; V21-D23 VanDerWaalsContact C-N 3.31Å; V21-D23 PolarHBondContact O-N 3.38Å; D23-R25 HydrophobicContact CB-CG 3.92Å; D23-R25 PolarHBondContact O-N 3.22Å; D23-R25 IonicContact OD2-NE 2.7Å; D23-R25 PolarHBondContact OD2-NE 3.11Å
24	S	94.6	Very high	96.5	Very high	116 Å²	116	69 Å²	69	81%	0.811	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	39.6	-175.7	-58	0	0	0	0	113.3	C20 V21 K22	C20-S24 PolarHBondContact O-N 3.48Å; V21-S24 PolarHBondContact O-N 3.29Å; K22-S24 VanDerWaalsContact C-N 3.27Å; K22-S24 PolarHBondContact O-N 3.39Å
25	R	95.7	Very high	96.4	Very high	97 Å²	97	70 Å²	70	37%	0.366	37%	0.368	S	S	.	.			trans	-121.5	151.6	-179.9	70.2	-173.9	179.5	82.7	-6	111	E19 C20 D23	E19-R25 IonicContact OE1-CZ 3.3Å; E19-R25 IonicContact OE1-NH2 3.57Å; E19-R25 PolarHBondContact OE1-NH2 2.86Å; C20-R25 CarbonylContact C-O 3.37Å; C20-R25 HydrophobicContact CB-CG 4.36Å; C20-R25 WeakPolarHBondContact CB-O 3.31Å; C20-R25 PolarHBondContact O-N 2.63Å; D23-R25 HydrophobicContact CB-CG 3.92Å; D23-R25 PolarHBondContact O-N 3.22Å; D23-R25 IonicContact OD2-NE 2.7Å; D23-R25 PolarHBondContact OD2-NE 3.11Å
26	L	97.1	Very high	96.1	Very high	67 Å²	67	69.6 Å²	69.6	35%	0.351	37%	0.369	S	S	.	.			trans	-80.6	143.3	169.8	-59.2	179.3	0	0	0	110.1	C28 Y117	L26-C28 PolarHBondContact O-N 3.32Å; L26-Y117 HydrophobicContact CD2-CD1 3.96Å; L26-Y117 HydrophobicContact CD2-CE1 3.46Å; L26-Y117 VanDerWaalsContact CD2-CE1 3.46Å
27	F	98.1	Very high	95.7	Very high	6 Å²	6	72 Å²	72	3%	0.026	38%	0.382	C	S	.	.			trans	-66	134	174.9	-176.3	-116.3	0	0	0	109.9	L16 D29 R53 A118 I120 V135 D137	L16-F27 HydrophobicContact CB-CE2 4.43Å; L16-F27 HydrophobicContact CD1-CE2 4.13Å; L16-F27 HydrophobicContact CD1-CZ 4.15Å; L16-F27 HydrophobicContact CD2-CE2 4.23Å; F27-D29 HydrophobicContact CE1-CB 3.83Å; F27-D29 HydrophobicContact CZ-CB 4.24Å; F27-R53 PolarHBondContact O-NH1 3.03Å; F27-R53 PolarHBondContact O-NH2 2.77Å; F27-A118 WeakPolarHBondContact CB-O 3.12Å; F27-A118 PolarHBondContact N-O 3.41Å; F27-I120 HydrophobicContact CB-CB 3.74Å; F27-I120 HydrophobicContact CB-CD1 4.3Å; F27-I120 HydrophobicContact CB-CG1 4.25Å; F27-I120 HydrophobicContact CD1-CB 3.93Å; F27-I120 HydrophobicContact CD1-CD1 3.83Å; F27-I120 HydrophobicContact CD1-CG1 3.6Å; F27-I120 HydrophobicContact CD2-CD1 4.06Å; F27-I120 HydrophobicContact CE1-CD1 4.14Å; F27-I120 HydrophobicContact CE1-CG1 4.1Å; F27-I120 HydrophobicContact CE2-CD1 4.36Å; F27-I120 HydrophobicContact CG-CB 4.01Å; F27-I120 HydrophobicContact CG-CD1 3.8Å; F27-I120 HydrophobicContact CG-CG1 3.94Å; F27-I120 HydrophobicContact CZ-CD1 4.39Å; F27-V135 HydrophobicContact CE1-CG1 4.05Å; F27-V135 HydrophobicContact CZ-CG1 4.37Å; F27-D137 HydrophobicContact CD1-CB 3.73Å; F27-D137 HydrophobicContact CE1-CB 4.39Å; F27-D137 WeakPolarHBondContact O-CB 2.92Å
28	C	97.2	Very high	95.5	Very high	78 Å²	78	70.9 Å²	70.9	53%	0.527	38%	0.378	S	S	.	.			trans	-122.3	123.3	167.6	-66.1	0	0	0	0	106	L26 P30	L26-C28 PolarHBondContact O-N 3.32Å; C28-P30 VanDerWaalsContact O-CD 3.23Å; C28-P30 WeakPolarHBondContact O-CD 3.18Å
29	D	97.8	Very high	95.3	Very high	2 Å²	2	64.7 Å²	64.7	1%	0.011	35%	0.35	C	S	.	.			trans	-78.2	110	-170.9	-172.2	-9.2	0	0	0	111.1	Q11 F27 T31 F32 D137 K169	Q11-D29 PolarHBondContact NE2-OD1 2.91Å; F27-D29 HydrophobicContact CE1-CB 3.83Å; F27-D29 HydrophobicContact CZ-CB 4.24Å; D29-T31 PolarHBondContact O-N 2.89Å; D29-T31 VanDerWaalsContact O-N 3.09Å; D29-T31 PolarHBondContact OD1-N 2.77Å; D29-T31 PolarHBondContact OD1-OG1 2.84Å; D29-F32 CarbonylContact O-C 3.16Å; D29-F32 PolarHBondContact O-N 2.67Å; D29-D137 HydrophobicContact CB-CB 4.44Å; D29-D137 WeakPolarHBondContact CB-OD2 3.34Å; D29-D137 PolarHBondContact N-OD2 3.3Å; D29-K169 VanDerWaalsContact CG-NZ 3.3Å; D29-K169 IonicContact OD1-NZ 3.13Å; D29-K169 PolarHBondContact OD1-NZ 2.8Å; D29-K169 WeakPolarHBondContact OD2-CD 3.4Å; D29-K169 WeakPolarHBondContact OD2-CE 3.39Å; D29-K169 IonicContact OD2-NZ 2.77Å; D29-K169 PolarHBondContact OD2-NZ 2.78Å
30	P	96.6	Very high	94.8	Very high	94 Å²	94	61.1 Å²	61.1	61%	0.61	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-9.1	-177	31.2	-36	0	0	0	112.8	C28	C28-P30 VanDerWaalsContact O-CD 3.23Å; C28-P30 WeakPolarHBondContact O-CD 3.18Å
31	T	96.1	Very high	94	Very high	56 Å²	56	64.6 Å²	64.6	34%	0.344	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-3.7	-176.6	65.8	0	0	0	0	113.6	K9 Q11 D29 K169	K9-T31 HydrophobicContact CB-CG2 4.04Å; K9-T31 HydrophobicContact CG-CG2 4.18Å; Q11-T31 PolarHBondContact NE2-OG1 3.01Å; Q11-T31 PolarHBondContact OE1-OG1 3.05Å; D29-T31 PolarHBondContact O-N 2.89Å; D29-T31 VanDerWaalsContact O-N 3.09Å; D29-T31 PolarHBondContact OD1-N 2.77Å; D29-T31 PolarHBondContact OD1-OG1 2.84Å; T31-K169 WeakPolarHBondContact OG1-CE 3.13Å; T31-K169 PolarHBondContact OG1-NZ 2.95Å
32	F	96.9	Very high	93.1	Very high	9 Å²	9	68.7 Å²	68.7	4%	0.039	37%	0.366	C	S	.	.	S	Bend	trans	-153.3	77.3	177.8	-163.5	-104.5	0	0	0	109.4	D29 S38 W51 K165 A168 K169 Y174	D29-F32 CarbonylContact O-C 3.16Å; D29-F32 PolarHBondContact O-N 2.67Å; F32-S38 WeakPolarHBondContact CZ-O 3.33Å; F32-W51 HydrophobicContact CE1-CH2 4.25Å; F32-K165 HydrophobicContact CD1-CG 4.41Å; F32-K165 HydrophobicContact CE1-CG 4.04Å; F32-A168 HydrophobicContact CZ-CB 4.25Å; F32-K169 HydrophobicContact CB-CB 4.25Å; F32-K169 HydrophobicContact CB-CD 3.71Å; F32-K169 HydrophobicContact CB-CG 3.83Å; F32-K169 HydrophobicContact CD1-CB 4.2Å; F32-K169 HydrophobicContact CD2-CB 3.73Å; F32-K169 HydrophobicContact CD2-CG 3.91Å; F32-K169 HydrophobicContact CE1-CB 4.47Å; F32-K169 HydrophobicContact CE2-CB 4.05Å; F32-K169 HydrophobicContact CG-CB 3.8Å; F32-K169 HydrophobicContact CG-CD 4.19Å; F32-K169 HydrophobicContact CG-CG 3.91Å; F32-K169 HydrophobicContact CZ-CB 4.4Å; F32-Y174 HydrophobicContact CE1-CE2 4.17Å; F32-Y174 HydrophobicContact CZ-CD2 4.22Å; F32-Y174 HydrophobicContact CZ-CE2 4.24Å
33	L	96.4	Very high	92.1	Very high	75 Å²	75	66.6 Å²	66.6	39%	0.393	35%	0.354	S	S	.	.			trans	-69.1	152.5	-171.4	-64.1	174.1	0	0	0	111.8	E35 S38	L33-E35 HydrophobicContact CB-CB 4.42Å; L33-E35 HydrophobicContact CB-CG 3.98Å; L33-E35 PolarHBondContact O-N 3.44Å; L33-S38 VanDerWaalsContact O-CB 3.27Å; L33-S38 WeakPolarHBondContact O-CB 3.34Å; L33-S38 PolarHBondContact O-OG 3.46Å
34	P	95.4	Very high	91.2	Very high	54 Å²	54	70.6 Å²	70.6	35%	0.351	37%	0.374	S	S	.	.	S	Bend	trans	-74.3	59	175.1	33	-37.1	0	0	0	111.8	W51 L139	P34-W51 VanDerWaalsContact CA-CE2 3.49Å; P34-W51 HydrophobicContact CB-CB 3.71Å; P34-W51 HydrophobicContact CB-CD2 3.6Å; P34-W51 HydrophobicContact CB-CE3 4.1Å; P34-W51 HydrophobicContact CB-CG 3.41Å; P34-W51 VanDerWaalsContact CB-CG 3.41Å; P34-W51 PolarHBondContact O-NE1 2.84Å; P34-L139 HydrophobicContact CB-CD1 4.16Å; P34-L139 HydrophobicContact CG-CD1 4.08Å
35	E	93.1	Very high	90.6	Very high	106 Å²	106	67.2 Å²	67.2	50%	0.495	35%	0.347	S	S	.	.	S	Bend	trans	-127.3	165.6	-173.8	-66.2	-179.2	-176.1	0	0	111	L33 D37 S38	L33-E35 HydrophobicContact CB-CB 4.42Å; L33-E35 HydrophobicContact CB-CG 3.98Å; L33-E35 PolarHBondContact O-N 3.44Å; E35-D37 PolarHBondContact O-N 3.09Å; E35-S38 WeakPolarHBondContact O-CB 3.27Å; E35-S38 PolarHBondContact O-N 3.34Å; E35-S38 VanDerWaalsContact O-N 3.11Å
36	N	90.3	Very high	89.8	Confident	96 Å²	96	67 Å²	67	51%	0.513	36%	0.357	S	S	.	.	H	α-helix	trans	-60.2	-32	-179.1	-70.9	-11.1	0	0	0	112.6	S38 L39 F40 L45	N36-S38 PolarHBondContact O-N 3.11Å; N36-L39 WeakPolarHBondContact O-CA 3.17Å; N36-L39 WeakPolarHBondContact O-CB 3.12Å; N36-L39 PolarHBondContact O-N 3.42Å; N36-F40 PolarHBondContact O-N 2.91Å; N36-F40 VanDerWaalsContact O-O 3.14Å; N36-L45 WeakPolarHBondContact OD1-CD1 3.26Å
37	D	89.7	Confident	89.2	Confident	89 Å²	89	65.1 Å²	65.1	48%	0.476	35%	0.354	S	S	.	.	H	α-helix	trans	-60.3	-28	177.7	-93.3	43.4	0	0	0	113.6	E35 L39 R412	E35-D37 PolarHBondContact O-N 3.09Å; D37-L39 VanDerWaalsContact C-N 3.3Å; D37-R412 PolarHBondContact O-NH2 2.83Å; D37-R412 IonicContact OD2-CZ 3.23Å; D37-R412 IonicContact OD2-NH1 3.67Å; D37-R412 PolarHBondContact OD2-NH1 2.93Å; D37-R412 IonicContact OD2-NH2 2.62Å
38	S	93.3	Very high	88.8	Confident	9 Å²	9	73.4 Å²	73.4	6%	0.063	39%	0.39	C	S	.	.	H	α-helix	trans	-78.2	-17.6	174.5	-64.8	0	0	0	0	112.3	F32 L33 E35 N36 C173 Y174	F32-S38 WeakPolarHBondContact CZ-O 3.33Å; L33-S38 VanDerWaalsContact O-CB 3.27Å; L33-S38 WeakPolarHBondContact O-CB 3.34Å; L33-S38 PolarHBondContact O-OG 3.46Å; E35-S38 WeakPolarHBondContact O-CB 3.27Å; E35-S38 PolarHBondContact O-N 3.34Å; E35-S38 VanDerWaalsContact O-N 3.11Å; N36-S38 PolarHBondContact O-N 3.11Å; S38-C173 CarbonylContact O-C 3.55Å; S38-C173 VanDerWaalsContact O-CA 3.25Å; S38-C173 WeakPolarHBondContact O-CA 3.27Å; S38-C173 VanDerWaalsContact O-CB 3.3Å; S38-C173 WeakPolarHBondContact O-CB 3.4Å; S38-Y174 WeakPolarHBondContact O-CD2 3.43Å; S38-Y174 PolarHBondContact O-N 2.86Å
39	L	91.6	Very high	88.7	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-92.7	-63.9	178.9	-56.6	173.4	0	0	0	110.9	N36 D37 L45 V49 W51 P141 F149 Y174 E175	N36-L39 WeakPolarHBondContact O-CA 3.17Å; N36-L39 WeakPolarHBondContact O-CB 3.12Å; N36-L39 PolarHBondContact O-N 3.42Å; D37-L39 VanDerWaalsContact C-N 3.3Å; L39-L45 HydrophobicContact CD1-CD1 4.19Å; L39-L45 HydrophobicContact CD1-CD2 4.06Å; L39-V49 HydrophobicContact CD1-CB 4.02Å; L39-V49 HydrophobicContact CD1-CG1 3.79Å; L39-V49 HydrophobicContact CD1-CG2 3.97Å; L39-W51 HydrophobicContact CD1-CZ2 4.37Å; L39-W51 HydrophobicContact CD2-CH2 3.98Å; L39-W51 HydrophobicContact CD2-CZ2 3.57Å; L39-W51 HydrophobicContact CG-CZ2 3.83Å; L39-P141 HydrophobicContact CD2-CB 3.85Å; L39-P141 HydrophobicContact CD2-CG 4.05Å; L39-F149 HydrophobicContact CD2-CE2 3.86Å; L39-F149 HydrophobicContact CD2-CZ 4.27Å; L39-Y174 HydrophobicContact CD2-CD2 3.86Å; L39-Y174 HydrophobicContact CD2-CE2 4.24Å; L39-Y174 PolarHBondContact O-N 3.02Å; L39-E175 PolarHBondContact O-N 3.06Å
40	F	86.8	Confident	88.6	Confident	16 Å²	16	73.8 Å²	73.8	7%	0.07	39%	0.391	C	S	.	.			trans	-142	149.5	-170.4	-58.4	-78.3	0	0	0	110.8	N36 R43 L45 L78 F149 E175	N36-F40 PolarHBondContact O-N 2.91Å; N36-F40 VanDerWaalsContact O-O 3.14Å; F40-R43 HydrophobicContact CB-CB 4.06Å; F40-R43 HydrophobicContact CD1-CB 3.78Å; F40-R43 HydrophobicContact CD1-CG 4.42Å; F40-R43 HydrophobicContact CG-CB 3.97Å; F40-L45 HydrophobicContact CD2-CD2 3.34Å; F40-L45 HydrophobicContact CD2-CG 4.2Å; F40-L45 HydrophobicContact CE2-CD2 3.32Å; F40-L78 HydrophobicContact CE2-CD1 3.99Å; F40-L78 HydrophobicContact CZ-CD1 4.05Å; F40-L78 HydrophobicContact CZ-CD2 4.4Å; F40-F149 HydrophobicContact CE2-CZ 4.46Å; F40-F149 HydrophobicContact CZ-CE1 4.42Å; F40-F149 HydrophobicContact CZ-CZ 4.13Å; F40-E175 VanDerWaalsContact CA-OE2 3.22Å; F40-E175 WeakPolarHBondContact CA-OE2 3.17Å; F40-E175 WeakPolarHBondContact CB-OE2 3.39Å; F40-E175 HydrophobicContact CD1-CB 3.61Å; F40-E175 HydrophobicContact CD1-CG 3.82Å; F40-E175 HydrophobicContact CE1-CB 4.2Å; F40-E175 HydrophobicContact CE1-CG 4.45Å; F40-E175 HydrophobicContact CG-CB 4.44Å
41	Y	79.4	Confident	88.6	Confident	73 Å²	73	71 Å²	71	29%	0.286	37%	0.368	S	S	.	.	S	Bend	trans	-112	-18.9	172.2	56.1	-97.1	0	0	0	112.7	E175 R411 R412	Y41-E175 HydrophobicContact CD1-CB 4.13Å; Y41-E175 HydrophobicContact CD1-CG 4.35Å; Y41-E175 WeakPolarHBondContact CD1-OE2 3.5Å; Y41-E175 HydrophobicContact CE1-CB 3.71Å; Y41-E175 VanDerWaalsContact CE1-CD 3.47Å; Y41-E175 HydrophobicContact CE1-CG 3.67Å; Y41-E175 WeakPolarHBondContact CE2-OE1 3.33Å; Y41-E175 VanDerWaalsContact CZ-OE1 3.26Å; Y41-E175 PolarHBondContact N-OE2 2.75Å; Y41-E175 PolarHBondContact OH-OE1 2.75Å; Y41-R411 HydrophobicContact CE2-CB 4.4Å; Y41-R411 WeakPolarHBondContact OH-CD 3.37Å; Y41-R411 PolarHBondContact OH-NH1 3.14Å; Y41-R412 HydrophobicContact CG-CG 4.13Å
42	N	76.4	Confident	88.7	Confident	139 Å²	139	71.5 Å²	71.5	74%	0.743	37%	0.365	S	S	*	.	S	Bend	trans	-141.1	15.7	-179.2	-162.3	24.6	0	0	0	114.8	E175	N42-E175 PolarHBondContact N-OE2 3.2Å; N42-E175 VanDerWaalsContact N-OE2 3.15Å
43	R	77	Confident	88.7	Confident	134 Å²	134	72 Å²	72	51%	0.506	37%	0.367	S	S	.	.			trans	-121.3	137.6	-178.1	-169.1	175.5	177.7	176.3	-0.7	112.3	F40	F40-R43 HydrophobicContact CB-CB 4.06Å; F40-R43 HydrophobicContact CD1-CB 3.78Å; F40-R43 HydrophobicContact CD1-CG 4.42Å; F40-R43 HydrophobicContact CG-CB 3.97Å
44	L	76.8	Confident	88.7	Confident	165 Å²	165	68.4 Å²	68.4	86%	0.864	35%	0.348	S	S	*	.			trans	-72.3	130.4	168.9	-69.8	171	0	0	0	110.1
45	L	80.8	Confident	88.6	Confident	46 Å²	46	70.4 Å²	70.4	24%	0.241	35%	0.353	C	S	.	.			trans	-69.1	139.8	175.5	-72.4	169.2	0	0	0	110.5	N36 L39 F40 G47 V49 L78	N36-L45 WeakPolarHBondContact OD1-CD1 3.26Å; L39-L45 HydrophobicContact CD1-CD1 4.19Å; L39-L45 HydrophobicContact CD1-CD2 4.06Å; F40-L45 HydrophobicContact CD2-CD2 3.34Å; F40-L45 HydrophobicContact CD2-CG 4.2Å; F40-L45 HydrophobicContact CE2-CD2 3.32Å; L45-G47 PolarHBondContact O-N 3.05Å; L45-G47 VanDerWaalsContact O-N 3.16Å; L45-V49 HydrophobicContact CD1-CB 4.45Å; L45-V49 HydrophobicContact CD1-CG2 3.93Å; L45-V49 HydrophobicContact CD2-CG2 3.83Å; L45-V49 HydrophobicContact CG-CG2 4.38Å; L45-L78 HydrophobicContact CD2-CD1 4.47Å
46	P	79.7	Confident	88.7	Confident	91 Å²	91	70.2 Å²	70.2	59%	0.591	36%	0.355	S	S	*	.	S	Bend	trans	-72	-5	179.3	32.3	-37.9	0	0	0	113.4	L78 I143	P46-L78 HydrophobicContact CG-CD1 4.04Å; P46-L78 HydrophobicContact CG-CD2 3.83Å; P46-L78 HydrophobicContact CG-CG 4.16Å; P46-I143 HydrophobicContact CG-CD1 3.86Å
47	G	84.3	Confident	88.9	Confident	28 Å²	28	68.1 Å²	68.1	29%	0.289	34%	0.343	S	S	.	.	S	Bend	trans	-176.5	178.6	-179.9	0	0	0	0	0	111.7	L45 V49	L45-G47 PolarHBondContact O-N 3.05Å; L45-G47 VanDerWaalsContact O-N 3.16Å; G47-V49 PolarHBondContact O-N 2.75Å
48	K	90.4	Very high	89.1	Confident	180 Å²	180	65 Å²	65	78%	0.783	33%	0.328	S	S	*	.			trans	-71.8	109.4	176.1	-176.3	179.2	179.5	-179.2	0	109.7
49	V	93.7	Very high	89	Confident	20 Å²	20	72.9 Å²	72.9	12%	0.121	37%	0.37	C	S	.	.			trans	-77.7	133.1	174.8	178.8	0	0	0	0	109.9	L39 L45 G47 P141 T142 I143	L39-V49 HydrophobicContact CD1-CB 4.02Å; L39-V49 HydrophobicContact CD1-CG1 3.79Å; L39-V49 HydrophobicContact CD1-CG2 3.97Å; L45-V49 HydrophobicContact CD1-CB 4.45Å; L45-V49 HydrophobicContact CD1-CG2 3.93Å; L45-V49 HydrophobicContact CD2-CG2 3.83Å; L45-V49 HydrophobicContact CG-CG2 4.38Å; G47-V49 PolarHBondContact O-N 2.75Å; V49-P141 HydrophobicContact CG1-CB 3.66Å; V49-T142 CarbonylContact C-O 3.53Å; V49-T142 WeakPolarHBondContact CA-O 3.24Å; V49-I143 HydrophobicContact CG2-CD1 4.07Å; V49-I143 HydrophobicContact CG2-CG1 3.94Å
50	V	95.7	Very high	89	Confident	69 Å²	69	76.3 Å²	76.3	42%	0.418	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.6	172.2	-178.9	0	0	0	0	107.8	K52 T142	V50-K52 HydrophobicContact CG1-CG 4.32Å; V50-T142 PolarHBondContact N-O 3.16Å; V50-T142 WeakPolarHBondContact O-CA 3.15Å; V50-T142 WeakPolarHBondContact O-CB 3.1Å; V50-T142 PolarHBondContact O-N 3.23Å; V50-T142 PolarHBondContact O-OG1 3.44Å
51	W	97.3	Very high	89.4	Confident	35 Å²	35	75.9 Å²	75.9	13%	0.133	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	125.7	177.4	-66.4	79.9	0	0	0	109.7	F32 P34 L39 L139 L140 P141 Y174	F32-W51 HydrophobicContact CE1-CH2 4.25Å; P34-W51 VanDerWaalsContact CA-CE2 3.49Å; P34-W51 HydrophobicContact CB-CB 3.71Å; P34-W51 HydrophobicContact CB-CD2 3.6Å; P34-W51 HydrophobicContact CB-CE3 4.1Å; P34-W51 HydrophobicContact CB-CG 3.41Å; P34-W51 VanDerWaalsContact CB-CG 3.41Å; P34-W51 PolarHBondContact O-NE1 2.84Å; L39-W51 HydrophobicContact CD1-CZ2 4.37Å; L39-W51 HydrophobicContact CD2-CH2 3.98Å; L39-W51 HydrophobicContact CD2-CZ2 3.57Å; L39-W51 HydrophobicContact CG-CZ2 3.83Å; W51-L139 HydrophobicContact CB-CB 4.3Å; W51-L139 HydrophobicContact CB-CD2 4.47Å; W51-L139 HydrophobicContact CE3-CB 4.13Å; W51-L139 VanDerWaalsContact CE3-O 3.29Å; W51-L139 WeakPolarHBondContact CZ3-O 3.49Å; W51-L140 CarbonylContact C-O 3.55Å; W51-L140 WeakPolarHBondContact CA-O 3.46Å; W51-P141 HydrophobicContact CD2-CB 4.27Å; W51-P141 HydrophobicContact CE3-CB 4.36Å; W51-P141 HydrophobicContact CZ2-CB 4.42Å; W51-P141 HydrophobicContact CZ3-CB 4.47Å; W51-P141 HydrophobicContact CZ3-CG 4.38Å; W51-Y174 HydrophobicContact CH2-CE2 4.08Å
52	K	97.6	Very high	90.1	Very high	67 Å²	67	75.2 Å²	75.2	29%	0.291	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.1	-176.7	-74.8	-169.6	169	-163.4	0	110.6	V50 D56 I57 L140 T142	V50-K52 HydrophobicContact CG1-CG 4.32Å; K52-D56 HydrophobicContact CB-CB 4.22Å; K52-D56 HydrophobicContact CD-CB 4.34Å; K52-D56 HydrophobicContact CG-CB 4.44Å; K52-I57 HydrophobicContact CB-CD1 4.07Å; K52-I57 HydrophobicContact CB-CG1 3.92Å; K52-I57 HydrophobicContact CD-CG1 4.24Å; K52-L140 PolarHBondContact N-O 2.95Å; K52-L140 PolarHBondContact O-N 3.07Å; K52-T142 HydrophobicContact CB-CG2 4.13Å; K52-T142 HydrophobicContact CD-CG2 4.4Å; K52-T142 HydrophobicContact CG-CG2 4.45Å
53	R	97.3	Very high	90.9	Very high	19 Å²	19	68.6 Å²	68.6	7%	0.072	35%	0.349	C	S	.	.			trans	-81.9	157.9	170.7	-60.3	-171.3	-177.6	-99.2	0.8	109.6	F27 Q55 D56 I57 G119 D138 L139	F27-R53 PolarHBondContact O-NH1 3.03Å; F27-R53 PolarHBondContact O-NH2 2.77Å; R53-Q55 PolarHBondContact O-N 2.73Å; R53-Q55 VanDerWaalsContact O-N 3.14Å; R53-D56 PolarHBondContact N-OD2 3.18Å; R53-D56 WeakPolarHBondContact O-CA 3.46Å; R53-D56 WeakPolarHBondContact O-CB 3.32Å; R53-D56 PolarHBondContact O-N 3.29Å; R53-I57 WeakPolarHBondContact O-CG1 3.3Å; R53-I57 PolarHBondContact O-N 2.86Å; R53-G119 PolarHBondContact NH1-O 3Å; R53-D138 VanDerWaalsContact CD-OD1 3.26Å; R53-D138 WeakPolarHBondContact CD-OD1 3.42Å; R53-D138 WeakPolarHBondContact CG-OD1 3.44Å; R53-D138 IonicContact CZ-OD1 2.83Å; R53-D138 IonicContact NE-OD1 3.37Å; R53-D138 IonicContact NH1-OD1 3.44Å; R53-D138 PolarHBondContact NH1-OD1 2.75Å; R53-L139 HydrophobicContact CG-CD2 3.61Å; R53-L139 HydrophobicContact CG-CG 4.16Å
54	P	96.2	Very high	91.6	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-51.6	-35.5	174.9	-35	41.2	0	0	0	114.1	D56 I57 C58 P61 W109 D138 L140 F158	P54-D56 PolarHBondContact O-N 2.95Å; P54-I57 PolarHBondContact O-N 3.03Å; P54-C58 PolarHBondContact O-N 3.49Å; P54-P61 HydrophobicContact CB-CB 3.56Å; P54-P61 HydrophobicContact CB-CG 4.34Å; P54-W109 HydrophobicContact CB-CH2 4.06Å; P54-W109 HydrophobicContact CB-CZ2 3.76Å; P54-W109 HydrophobicContact CG-CH2 3.75Å; P54-W109 HydrophobicContact CG-CZ2 3.57Å; P54-D138 WeakPolarHBondContact CD-O 3.3Å; P54-D138 HydrophobicContact CG-CB 4.4Å; P54-L140 HydrophobicContact CG-CD1 4.28Å; P54-F158 HydrophobicContact CB-CD1 4Å; P54-F158 HydrophobicContact CB-CD2 3.9Å; P54-F158 HydrophobicContact CB-CE1 3.89Å; P54-F158 HydrophobicContact CB-CE2 3.81Å; P54-F158 HydrophobicContact CB-CG 4Å; P54-F158 HydrophobicContact CB-CZ 3.8Å; P54-F158 HydrophobicContact CG-CB 4.47Å; P54-F158 HydrophobicContact CG-CD1 3.8Å; P54-F158 HydrophobicContact CG-CD2 4.33Å; P54-F158 HydrophobicContact CG-CE1 4.07Å; P54-F158 HydrophobicContact CG-CG 3.93Å; P54-F158 HydrophobicContact CG-CZ 4.48Å
55	Q	94.2	Very high	92	Very high	96 Å²	96	57.9 Å²	57.9	45%	0.449	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-64.9	-20.9	175	-68.4	177.2	-37	0	0	114	R53 P61 Y117	R53-Q55 PolarHBondContact O-N 2.73Å; R53-Q55 VanDerWaalsContact O-N 3.14Å; Q55-P61 HydrophobicContact CG-CG 3.78Å; Q55-Y117 PolarHBondContact OE1-OH 2.71Å
56	D	95.1	Very high	91.9	Very high	102 Å²	102	59.7 Å²	59.7	55%	0.545	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-93.3	-1.5	175.1	-51.1	-51.6	0	0	0	112.5	K52 R53 P54	K52-D56 HydrophobicContact CB-CB 4.22Å; K52-D56 HydrophobicContact CD-CB 4.34Å; K52-D56 HydrophobicContact CG-CB 4.44Å; R53-D56 PolarHBondContact N-OD2 3.18Å; R53-D56 WeakPolarHBondContact O-CA 3.46Å; R53-D56 WeakPolarHBondContact O-CB 3.32Å; R53-D56 PolarHBondContact O-N 3.29Å; P54-D56 PolarHBondContact O-N 2.95Å
57	I	93.9	Very high	91.8	Very high	52 Å²	52	59 Å²	59	27%	0.267	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-41.1	-175.9	-59.4	169	0	0	0	110.3	K52 R53 P54 T142 L147 F158	K52-I57 HydrophobicContact CB-CD1 4.07Å; K52-I57 HydrophobicContact CB-CG1 3.92Å; K52-I57 HydrophobicContact CD-CG1 4.24Å; R53-I57 WeakPolarHBondContact O-CG1 3.3Å; R53-I57 PolarHBondContact O-N 2.86Å; P54-I57 PolarHBondContact O-N 3.03Å; I57-T142 HydrophobicContact CD1-CG2 4.03Å; I57-L147 HydrophobicContact CD1-CD2 4.09Å; I57-F158 HydrophobicContact CD1-CE1 4.4Å; I57-F158 HydrophobicContact CG2-CZ 4.49Å
58	C	93	Very high	91.5	Very high	23 Å²	23	58.1 Å²	58.1	16%	0.155	31%	0.313	C	S	.	.			trans	-144.9	161	178.5	75.5	0	0	0	0	112.6	P54 F158	P54-C58 PolarHBondContact O-N 3.49Å; C58-F158 WeakPolarHBondContact SG-CE2 3.43Å
59	D	91.4	Very high	90.6	Very high	175 Å²	175	50.9 Å²	50.9	94%	0.936	29%	0.286	S	S	*	.	S	Bend	trans	-75.6	-34.5	-173.5	-62.9	-33.6	0	0	0	115	P61	D59-P61 WeakPolarHBondContact O-CD 3.41Å
60	D	93.2	Very high	89.5	Confident	72 Å²	72	50.6 Å²	50.6	39%	0.385	28%	0.284	S	S	.	.	S	Bend	trans	-124.6	64.9	-177.5	-177.4	49.7	0	0	0	111.5	R62 N156	D60-R62 PolarHBondContact O-N 2.89Å; D60-R62 IonicContact OD1-CZ 2.7Å; D60-R62 IonicContact OD1-NE 3.17Å; D60-R62 PolarHBondContact OD1-NE 2.65Å; D60-R62 IonicContact OD1-NH2 3.05Å; D60-R62 PolarHBondContact OD1-NH2 3Å; D60-R62 IonicContact OD2-CZ 3.56Å; D60-R62 IonicContact OD2-NE 2.91Å; D60-R62 PolarHBondContact OD2-NE 3.18Å; D60-R62 IonicContact OD2-NH2 2.74Å; D60-R62 PolarHBondContact OD2-NH2 2.75Å; D60-R62 VanDerWaalsContact OD2-NH2 3.17Å; D60-N156 WeakPolarHBondContact O-CB 3.38Å; D60-N156 PolarHBondContact O-ND2 3.48Å
61	P	94.8	Very high	88.2	Confident	8 Å²	8	49.5 Å²	49.5	5%	0.052	27%	0.274	C	S	.	.			trans	-62	138.6	-177.8	27.5	-34.4	0	0	0	111.1	P54 Q55 D59 W109 F158	P54-P61 HydrophobicContact CB-CB 3.56Å; P54-P61 HydrophobicContact CB-CG 4.34Å; Q55-P61 HydrophobicContact CG-CG 3.78Å; D59-P61 WeakPolarHBondContact O-CD 3.41Å; P61-W109 HydrophobicContact CB-CD2 4.05Å; P61-W109 HydrophobicContact CB-CE3 4.29Å; P61-W109 HydrophobicContact CB-CG 4.41Å; P61-W109 HydrophobicContact CG-CD2 4.24Å; P61-W109 HydrophobicContact CG-CG 4.11Å; P61-W109 WeakPolarHBondContact O-CB 3.42Å; P61-F158 HydrophobicContact CB-CD2 4.11Å; P61-F158 HydrophobicContact CB-CE2 3.84Å
62	R	93.8	Very high	87	Confident	59 Å²	59	51.6 Å²	51.6	22%	0.223	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-130.6	142.8	177.9	-60.2	-62.7	179.9	174.6	-3.4	110	D60 V65 E108 W109 N156 E157 F158	D60-R62 PolarHBondContact O-N 2.89Å; D60-R62 IonicContact OD1-CZ 2.7Å; D60-R62 IonicContact OD1-NE 3.17Å; D60-R62 PolarHBondContact OD1-NE 2.65Å; D60-R62 IonicContact OD1-NH2 3.05Å; D60-R62 PolarHBondContact OD1-NH2 3Å; D60-R62 IonicContact OD2-CZ 3.56Å; D60-R62 IonicContact OD2-NE 2.91Å; D60-R62 PolarHBondContact OD2-NE 3.18Å; D60-R62 IonicContact OD2-NH2 2.74Å; D60-R62 PolarHBondContact OD2-NH2 2.75Å; D60-R62 VanDerWaalsContact OD2-NH2 3.17Å; R62-V65 HydrophobicContact CB-CG2 3.83Å; R62-V65 HydrophobicContact CG-CG2 4.11Å; R62-E108 VanDerWaalsContact CA-OE1 3.28Å; R62-E108 WeakPolarHBondContact CA-OE1 3.14Å; R62-W109 PolarHBondContact NH1-O 2.82Å; R62-W109 VanDerWaalsContact NH1-O 3.08Å; R62-W109 WeakPolarHBondContact O-CZ3 3.39Å; R62-N156 WeakPolarHBondContact CA-O 3.49Å; R62-N156 WeakPolarHBondContact CB-O 3.46Å; R62-N156 PolarHBondContact N-O 3.31Å; R62-E157 WeakPolarHBondContact O-CA 3.27Å; R62-F158 PolarHBondContact O-N 2.8Å
63	L	93.4	Very high	86.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-70.8	-52.6	172	-175.6	62.5	0	0	0	107.1	I101 H104 Q107 E108 W109 F121 W159 L162	L63-I101 HydrophobicContact CD2-CG2 4.37Å; L63-H104 HydrophobicContact CD2-CB 4.25Å; L63-Q107 HydrophobicContact CD2-CB 3.84Å; L63-E108 WeakPolarHBondContact CB-OE2 3.35Å; L63-E108 VanDerWaalsContact N-CD 3.33Å; L63-E108 PolarHBondContact N-OE1 2.78Å; L63-E108 PolarHBondContact N-OE2 2.79Å; L63-E108 VanDerWaalsContact N-OE2 3.16Å; L63-W109 HydrophobicContact CB-CE3 4.21Å; L63-W109 HydrophobicContact CB-CZ3 3.97Å; L63-F121 HydrophobicContact CB-CE1 4.49Å; L63-F121 HydrophobicContact CD1-CD1 3.96Å; L63-F121 HydrophobicContact CD1-CE1 3.87Å; L63-F121 HydrophobicContact CD2-CD1 4.19Å; L63-F121 HydrophobicContact CD2-CE1 4.15Å; L63-F121 HydrophobicContact CG-CE1 4.4Å; L63-W159 HydrophobicContact CD1-CB 4.14Å; L63-W159 HydrophobicContact CG-CB 4.44Å; L63-W159 WeakPolarHBondContact O-CB 3.33Å; L63-W159 PolarHBondContact O-N 3.46Å; L63-L162 HydrophobicContact CD1-CD1 3.78Å
64	I	91.1	Very high	85.5	Confident	12 Å²	12	49.5 Å²	49.5	6%	0.062	28%	0.28	C	S	.	.			trans	-133.9	130.2	178.6	-61.5	163.9	0	0	0	109.3	G66 I68 W97 H104 E108 W159	I64-G66 PolarHBondContact O-N 2.84Å; I64-I68 HydrophobicContact CD1-CD1 3.82Å; I64-I68 HydrophobicContact CD1-CG1 3.61Å; I64-I68 HydrophobicContact CG1-CD1 4.22Å; I64-I68 HydrophobicContact CG1-CG1 3.79Å; I64-I68 HydrophobicContact CG2-CG1 3.98Å; I64-W97 HydrophobicContact CD1-CH2 4.46Å; I64-W97 HydrophobicContact CD1-CZ3 3.96Å; I64-H104 HydrophobicContact CD1-CB 3.73Å; I64-E108 PolarHBondContact N-OE2 2.89Å; I64-E108 VanDerWaalsContact N-OE2 3.16Å; I64-W159 HydrophobicContact CG1-CB 4.06Å; I64-W159 HydrophobicContact CG1-CG 4.28Å
65	V	84.5	Confident	84.8	Confident	62 Å²	62	52.5 Å²	52.5	38%	0.376	29%	0.294	S	S	.	.	S	Bend	trans	-92.3	101	174.2	179.1	0	0	0	0	109.1	R62 N67 E157	R62-V65 HydrophobicContact CB-CG2 3.83Å; R62-V65 HydrophobicContact CG-CG2 4.11Å; V65-N67 PolarHBondContact O-N 3.12Å; V65-E157 HydrophobicContact CG2-CB 3.83Å; V65-E157 HydrophobicContact CG2-CG 4.22Å; V65-E157 PolarHBondContact N-OE1 3.22Å
66	G	80.3	Confident	84.1	Confident	83 Å²	83	48.2 Å²	48.2	86%	0.856	28%	0.275	S	S	*	.	S	Bend	trans	78.5	-86.6	-177.7	0	0	0	0	0	112.6	I64	I64-G66 PolarHBondContact O-N 2.84Å
67	N	77.4	Confident	83.4	Confident	78 Å²	78	52.9 Å²	52.9	42%	0.417	29%	0.285	S	S	.	.	S	Bend	trans	-137.6	156.2	173.7	-161.8	-2.8	0	0	0	109.1	V65 S69 W97	V65-N67 PolarHBondContact O-N 3.12Å; N67-S69 PolarHBondContact O-N 3.23Å; N67-W97 WeakPolarHBondContact OD1-CZ2 3.32Å
68	I	77.9	Confident	82.6	Confident	8 Å²	8	51.1 Å²	51.1	4%	0.041	28%	0.276	C	S	.	.			trans	-60	118.9	172.4	-64.9	-167.1	0	0	0	107.8	I64 A91 W97 I101 W159	I64-I68 HydrophobicContact CD1-CD1 3.82Å; I64-I68 HydrophobicContact CD1-CG1 3.61Å; I64-I68 HydrophobicContact CG1-CD1 4.22Å; I64-I68 HydrophobicContact CG1-CG1 3.79Å; I64-I68 HydrophobicContact CG2-CG1 3.98Å; I68-A91 HydrophobicContact CG2-CB 3.61Å; I68-W97 HydrophobicContact CB-CD2 4.1Å; I68-W97 HydrophobicContact CB-CG 4.27Å; I68-W97 HydrophobicContact CD1-CB 4.18Å; I68-W97 HydrophobicContact CD1-CD2 3.59Å; I68-W97 HydrophobicContact CD1-CE3 3.37Å; I68-W97 HydrophobicContact CD1-CG 3.95Å; I68-W97 HydrophobicContact CD1-CZ3 3.99Å; I68-W97 HydrophobicContact CG1-CD2 3.97Å; I68-W97 HydrophobicContact CG1-CE3 3.94Å; I68-W97 HydrophobicContact CG1-CG 4.48Å; I68-W97 HydrophobicContact CG1-CZ3 4.21Å; I68-I101 HydrophobicContact CD1-CD1 3.37Å; I68-W159 HydrophobicContact CD1-CD2 4.02Å; I68-W159 HydrophobicContact CD1-CE3 4.12Å; I68-W159 HydrophobicContact CD1-CG 4.3Å; I68-W159 HydrophobicContact CG1-CD2 4.4Å; I68-W159 HydrophobicContact CG1-CG 4.49Å; I68-W159 HydrophobicContact CG2-CD2 4.39Å; I68-W159 HydrophobicContact CG2-CH2 3.81Å; I68-W159 HydrophobicContact CG2-CZ2 3.54Å; I68-W159 HydrophobicContact CG2-CZ3 4.36Å
69	S	70.7	Confident	81.8	Confident	29 Å²	29	50.5 Å²	50.5	20%	0.203	27%	0.274	C	S	.	.			trans	-106.2	146.4	-178.8	103.5	0	0	0	0	108.9	N67 H71 A91	N67-S69 PolarHBondContact O-N 3.23Å; S69-H71 PolarHBondContact O-N 3.48Å; S69-H71 WeakPolarHBondContact OG-CB 3.3Å; S69-H71 PolarHBondContact OG-N 3.2Å; S69-H71 VanDerWaalsContact OG-N 3.13Å; S69-H71 PolarHBondContact OG-O 2.88Å; S69-A91 WeakPolarHBondContact O-CB 3.41Å
70	N	69.8	Low	81.2	Confident	14 Å²	14	43.4 Å²	43.4	8%	0.075	24%	0.235	C	C	.	.	S	Bend	trans	-79.2	1.2	170.1	62.8	4.1	0	0	0	111.1	A91 T257 R283	N70-A91 HydrophobicContact CB-CB 3.77Å; N70-T257 WeakPolarHBondContact ND2-CG2 3.3Å; N70-R283 VanDerWaalsContact ND2-CD 3.34Å; N70-R283 WeakPolarHBondContact ND2-CD 3.34Å; N70-R283 PolarHBondContact O-NE 3.15Å; N70-R283 PolarHBondContact OD1-NE 3.16Å
71	H	69.2	Low	80.5	Confident	45 Å²	45	43.3 Å²	43.3	21%	0.208	23%	0.232	C	C	.	.	S	Bend	trans	-89.6	164.9	177.5	-41.1	-79.4	0	0	0	111	S69 L73 R283 D320	S69-H71 PolarHBondContact O-N 3.48Å; S69-H71 WeakPolarHBondContact OG-CB 3.3Å; S69-H71 PolarHBondContact OG-N 3.2Å; S69-H71 VanDerWaalsContact OG-N 3.13Å; S69-H71 PolarHBondContact OG-O 2.88Å; H71-L73 VanDerWaalsContact C-N 3.26Å; H71-L73 PolarHBondContact O-N 3.41Å; H71-R283 VanDerWaalsContact CA-NH2 3.31Å; H71-R283 PolarHBondContact CE1-NH1 3.08Å; H71-R283 PolarHBondContact ND1-NH1 2.88Å; H71-R283 PolarHBondContact ND1-NH2 3.17Å; H71-R283 VanDerWaalsContact ND1-NH2 3.12Å; H71-D320 IonicContact CE1-OD1 2.88Å; H71-D320 PolarHBondContact CE1-OD1 3.18Å; H71-D320 VanDerWaalsContact CE1-OD1 3.26Å; H71-D320 IonicContact CE1-OD2 3.15Å; H71-D320 PolarHBondContact CE1-OD2 2.91Å; H71-D320 IonicContact ND1-OD1 3.24Å; H71-D320 PolarHBondContact ND1-OD1 2.95Å; H71-D320 IonicContact ND1-OD2 3.77Å; H71-D320 PolarHBondContact ND1-OD2 2.84Å; H71-D320 VanDerWaalsContact ND1-OD2 3.17Å; H71-D320 IonicContact NE2-OD2 3.64Å; H71-D320 PolarHBondContact NE2-OD2 3.29Å
72	Q	72.7	Confident	80.2	Confident	80 Å²	80	44.6 Å²	44.6	37%	0.374	24%	0.24	S	C	.	.	S	Bend	trans	67	19.1	168	-56.8	178.5	-20.4	0	0	114.9	S152 T153 S154	Q72-S152 CarbonylContact O-C 3.49Å; Q72-S152 WeakPolarHBondContact O-CA 3.42Å; Q72-T153 WeakPolarHBondContact CA-OG1 3.34Å; Q72-T153 WeakPolarHBondContact CB-OG1 3.36Å; Q72-T153 VanDerWaalsContact CG-OG1 3.23Å; Q72-T153 WeakPolarHBondContact CG-OG1 3.38Å; Q72-T153 PolarHBondContact O-N 3.1Å; Q72-S154 VanDerWaalsContact CD-OG 3.23Å; Q72-S154 PolarHBondContact NE2-OG 2.93Å; Q72-S154 PolarHBondContact OE1-OG 2.81Å
73	L	81.2	Confident	80	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.9	180	-63.7	169.6	0	0	0	111.1	H71 V84 F87 W159 N160	H71-L73 VanDerWaalsContact C-N 3.26Å; H71-L73 PolarHBondContact O-N 3.41Å; L73-V84 HydrophobicContact CB-CG1 3.88Å; L73-F87 HydrophobicContact CD1-CB 3.71Å; L73-F87 HydrophobicContact CD2-CB 4.37Å; L73-W159 HydrophobicContact CD2-CH2 4.15Å; L73-W159 HydrophobicContact CD2-CZ2 3.72Å; L73-N160 HydrophobicContact CD2-CB 4.04Å; L73-N160 WeakPolarHBondContact CD2-ND2 3.21Å
74	T	81.2	Confident	79.8	Confident	40 Å²	40	42 Å²	42	25%	0.245	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	143.1	179.6	-56.8	0	0	0	0	111.9	S150 F151 T153	T74-S150 WeakPolarHBondContact O-CA 3.41Å; T74-F151 HydrophobicContact CG2-CE1 3.62Å; T74-F151 HydrophobicContact CG2-CE2 4.09Å; T74-F151 HydrophobicContact CG2-CZ 3.35Å; T74-F151 PolarHBondContact N-O 2.86Å; T74-F151 PolarHBondContact O-N 2.88Å; T74-T153 WeakPolarHBondContact OG1-CG2 3.35Å
75	Q	82.4	Confident	79.7	Confident	62 Å²	62	41.7 Å²	41.7	29%	0.29	23%	0.229	S	C	.	.			trans	-80.1	124.7	172.3	-169.6	-166.5	-11.3	0	0	109.7	G79 V84	Q75-G79 PolarHBondContact NE2-O 2.95Å; Q75-V84 HydrophobicContact CB-CG2 3.99Å
76	G	79.2	Confident	80.1	Confident	6 Å²	6	38.7 Å²	38.7	6%	0.062	21%	0.211	C	C	.	.			trans	-70.6	171.3	168	0	0	0	0	0	112.9	L78 G79 V148 F149	G76-L78 PolarHBondContact O-N 2.84Å; G76-G79 PolarHBondContact O-N 2.85Å; G76-V148 CarbonylContact C-O 3.57Å; G76-V148 WeakPolarHBondContact CA-O 3.39Å; G76-F149 WeakPolarHBondContact CA-O 3.48Å; G76-F149 PolarHBondContact N-O 3.11Å
77	R	80.6	Confident	80.7	Confident	200 Å²	200	34.8 Å²	34.8	76%	0.755	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.7	-176.3	-62.2	-177.4	-175.3	174.4	5	114.4	V148	R77-V148 PolarHBondContact N-O 2.82Å; R77-V148 VanDerWaalsContact N-O 3.11Å
78	L	77.9	Confident	81.2	Confident	15 Å²	15	31 Å²	31	8%	0.079	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	5.5	176.9	-64.5	178.8	0	0	0	112.7	F40 L45 P46 G76 V148 F149	F40-L78 HydrophobicContact CE2-CD1 3.99Å; F40-L78 HydrophobicContact CZ-CD1 4.05Å; F40-L78 HydrophobicContact CZ-CD2 4.4Å; L45-L78 HydrophobicContact CD2-CD1 4.47Å; P46-L78 HydrophobicContact CG-CD1 4.04Å; P46-L78 HydrophobicContact CG-CD2 3.83Å; P46-L78 HydrophobicContact CG-CG 4.16Å; G76-L78 PolarHBondContact O-N 2.84Å; L78-V148 WeakPolarHBondContact CA-O 3.41Å; L78-V148 HydrophobicContact CB-CB 4.43Å; L78-V148 WeakPolarHBondContact CB-O 3.41Å; L78-V148 HydrophobicContact CD1-CB 4.12Å; L78-V148 HydrophobicContact CD1-CG2 4.03Å; L78-V148 HydrophobicContact CG-CB 4.37Å; L78-V148 PolarHBondContact N-O 2.99Å; L78-F149 HydrophobicContact CB-CD1 4.1Å; L78-F149 HydrophobicContact CB-CE1 3.76Å; L78-F149 HydrophobicContact CB-CZ 4.18Å; L78-F149 WeakPolarHBondContact O-CD1 3.47Å; L78-F149 VanDerWaalsContact O-CE1 3.3Å; L78-F149 WeakPolarHBondContact O-CE1 3.3Å
79	G	74.6	Confident	81.9	Confident	11 Å²	11	30.7 Å²	30.7	11%	0.113	15%	0.149	C	C	.	.			trans	-68.9	161.4	-177.5	0	0	0	0	0	113.3	Q75 G76	Q75-G79 PolarHBondContact NE2-O 2.95Å; G76-G79 PolarHBondContact O-N 2.85Å
80	H	78.4	Confident	82.9	Confident	26 Å²	26	29.4 Å²	29.4	12%	0.12	14%	0.14	C	C	.	.			trans	-105.4	116.2	178	178.6	-119	0	0	0	110.2	P82 M83 L177 D178 L180	H80-P82 VanDerWaalsContact CE1-CG 3.45Å; H80-P82 WeakPolarHBondContact CE1-CG 3.4Å; H80-M83 HydrophobicContact CB-CB 4.36Å; H80-M83 WeakPolarHBondContact O-CA 3.43Å; H80-M83 WeakPolarHBondContact O-CB 3.41Å; H80-M83 PolarHBondContact O-N 3.22Å; H80-L177 PolarHBondContact CE1-O 2.93Å; H80-D178 IonicContact CD2-OD1 2.56Å; H80-L180 PolarHBondContact CE1-O 3Å; H80-L180 VanDerWaalsContact CE1-O 3.28Å
81	K	79.8	Confident	83.9	Confident	70 Å²	70	29.2 Å²	29.2	30%	0.304	14%	0.141	S	C	.	.	H	α-helix	trans	-49.4	-48.4	-173.9	-76	-179.6	-173.2	-173.2	0	114.3	M83 V84 S85 E241	K81-M83 PolarHBondContact O-N 3.07Å; K81-M83 VanDerWaalsContact O-N 3.09Å; K81-V84 PolarHBondContact O-N 3.06Å; K81-S85 PolarHBondContact O-N 3.1Å; K81-E241 VanDerWaalsContact CE-OE1 3.3Å; K81-E241 WeakPolarHBondContact CE-OE1 3.43Å; K81-E241 IonicContact NZ-OE1 3.42Å; K81-E241 PolarHBondContact NZ-OE1 3.43Å; K81-E241 IonicContact NZ-OE2 3.17Å; K81-E241 PolarHBondContact NZ-OE2 2.96Å
82	P	88.6	Confident	84.9	Confident	34 Å²	34	28.7 Å²	28.7	22%	0.221	14%	0.14	C	C	.	.	H	α-helix	trans	-56.6	-25.5	177	-27.8	36.3	0	0	0	114.7	H80 A86 I182 I185	H80-P82 VanDerWaalsContact CE1-CG 3.45Å; H80-P82 WeakPolarHBondContact CE1-CG 3.4Å; P82-A86 WeakPolarHBondContact O-CB 3.48Å; P82-A86 PolarHBondContact O-N 3.5Å; P82-I182 HydrophobicContact CB-CB 4.24Å; P82-I185 HydrophobicContact CB-CD1 3.94Å
83	M	90.1	Very high	85.6	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.7	-48	178.9	-164	69.8	175.6	0	0	111.7	H80 K81 S85 A86 F87 E164 Y167 I185 F189	H80-M83 HydrophobicContact CB-CB 4.36Å; H80-M83 WeakPolarHBondContact O-CA 3.43Å; H80-M83 WeakPolarHBondContact O-CB 3.41Å; H80-M83 PolarHBondContact O-N 3.22Å; K81-M83 PolarHBondContact O-N 3.07Å; K81-M83 VanDerWaalsContact O-N 3.09Å; M83-S85 VanDerWaalsContact C-N 3.34Å; M83-S85 PolarHBondContact O-N 3.48Å; M83-A86 WeakPolarHBondContact O-CB 3.25Å; M83-A86 PolarHBondContact O-N 3.31Å; M83-A86 VanDerWaalsContact O-N 3.13Å; M83-F87 HydrophobicContact CE-CE1 3.53Å; M83-F87 HydrophobicContact CE-CE2 4.13Å; M83-F87 HydrophobicContact CE-CZ 3.24Å; M83-F87 HydrophobicContact CG-CD2 4.3Å; M83-F87 HydrophobicContact CG-CE1 4.38Å; M83-F87 HydrophobicContact CG-CE2 3.68Å; M83-F87 HydrophobicContact CG-CZ 3.75Å; M83-F87 WeakPolarHBondContact O-CD2 3.47Å; M83-F87 WeakPolarHBondContact O-CG 3.26Å; M83-F87 PolarHBondContact O-N 2.83Å; M83-F87 HydrophobicContact SD-CE1 4.45Å; M83-F87 HydrophobicContact SD-CZ 4.23Å; M83-E164 HydrophobicContact CE-CB 3.81Å; M83-E164 HydrophobicContact CE-CG 3.82Å; M83-E164 HydrophobicContact CG-CG 4.32Å; M83-Y167 HydrophobicContact CE-CD1 3.88Å; M83-Y167 HydrophobicContact SD-CD1 4.14Å; M83-I185 HydrophobicContact SD-CD1 4.11Å; M83-I185 HydrophobicContact SD-CG2 3.9Å; M83-F189 HydrophobicContact CE-CE2 4.43Å; M83-F189 HydrophobicContact CE-CZ 3.63Å; M83-F189 HydrophobicContact SD-CZ 4.14Å
84	V	88.3	Confident	86	Confident	4 Å²	4	33.1 Å²	33.1	2%	0.024	16%	0.161	C	C	.	.	H	α-helix	trans	-62.3	-42.7	178.7	176.7	0	0	0	0	110.8	L73 Q75 K81 A86 F87 S88 P285	L73-V84 HydrophobicContact CB-CG1 3.88Å; Q75-V84 HydrophobicContact CB-CG2 3.99Å; K81-V84 PolarHBondContact O-N 3.06Å; V84-A86 VanDerWaalsContact C-N 3.33Å; V84-A86 PolarHBondContact O-N 3.05Å; V84-F87 PolarHBondContact O-N 2.61Å; V84-S88 PolarHBondContact O-N 3.1Å; V84-P285 HydrophobicContact CG1-CB 4.17Å
85	S	88.8	Confident	86.4	Confident	6 Å²	6	34 Å²	34	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-64.2	-38	174.9	-56.5	0	0	0	0	112.3	K81 M83 S88 C89 I182	K81-S85 PolarHBondContact O-N 3.1Å; M83-S85 VanDerWaalsContact C-N 3.34Å; M83-S85 PolarHBondContact O-N 3.48Å; S85-S88 PolarHBondContact O-N 3.02Å; S85-C89 PolarHBondContact O-N 3.46Å; S85-C89 PolarHBondContact O-SG 2.79Å; S85-C89 VanDerWaalsContact O-SG 3.34Å; S85-I182 VanDerWaalsContact CB-CD1 3.42Å
86	A	92.6	Very high	86.8	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-67.4	-37.9	175.6	0	0	0	0	0	112.3	P82 M83 V84 C89 L90 I182 I185 I186 F189	P82-A86 WeakPolarHBondContact O-CB 3.48Å; P82-A86 PolarHBondContact O-N 3.5Å; M83-A86 WeakPolarHBondContact O-CB 3.25Å; M83-A86 PolarHBondContact O-N 3.31Å; M83-A86 VanDerWaalsContact O-N 3.13Å; V84-A86 VanDerWaalsContact C-N 3.33Å; V84-A86 PolarHBondContact O-N 3.05Å; A86-C89 PolarHBondContact O-N 3Å; A86-L90 VanDerWaalsContact O-CB 3.31Å; A86-L90 WeakPolarHBondContact O-CB 3.11Å; A86-L90 PolarHBondContact O-N 2.86Å; A86-I182 HydrophobicContact CB-CG1 4.25Å; A86-I185 HydrophobicContact CB-CB 3.83Å; A86-I185 HydrophobicContact CB-CG2 3.41Å; A86-I185 VanDerWaalsContact CB-CG2 3.41Å; A86-I186 HydrophobicContact CB-CG1 4.01Å; A86-F189 HydrophobicContact CB-CE2 4.34Å
87	F	92.5	Very high	87.4	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.3	-46.5	171.6	-69.3	-29.4	0	0	0	112.2	L73 M83 V84 C89 L90 A91 W159 N160 L163 E164 F189	L73-F87 HydrophobicContact CD1-CB 3.71Å; L73-F87 HydrophobicContact CD2-CB 4.37Å; M83-F87 HydrophobicContact CE-CE1 3.53Å; M83-F87 HydrophobicContact CE-CE2 4.13Å; M83-F87 HydrophobicContact CE-CZ 3.24Å; M83-F87 HydrophobicContact CG-CD2 4.3Å; M83-F87 HydrophobicContact CG-CE1 4.38Å; M83-F87 HydrophobicContact CG-CE2 3.68Å; M83-F87 HydrophobicContact CG-CZ 3.75Å; M83-F87 WeakPolarHBondContact O-CD2 3.47Å; M83-F87 WeakPolarHBondContact O-CG 3.26Å; M83-F87 PolarHBondContact O-N 2.83Å; M83-F87 HydrophobicContact SD-CE1 4.45Å; M83-F87 HydrophobicContact SD-CZ 4.23Å; V84-F87 PolarHBondContact O-N 2.61Å; F87-C89 VanDerWaalsContact C-N 3.34Å; F87-C89 PolarHBondContact O-N 3.13Å; F87-L90 PolarHBondContact O-N 3.31Å; F87-A91 WeakPolarHBondContact O-CB 3.3Å; F87-A91 PolarHBondContact O-N 2.72Å; F87-W159 HydrophobicContact CB-CH2 3.87Å; F87-W159 HydrophobicContact CB-CZ3 4.31Å; F87-W159 HydrophobicContact CD1-CH2 4.4Å; F87-W159 AromaticContact CD1-CZ3 3.97Å; F87-W159 HydrophobicContact CD1-CZ3 3.97Å; F87-W159 HydrophobicContact CG-CH2 4.22Å; F87-W159 HydrophobicContact CG-CZ3 4.21Å; F87-N160 HydrophobicContact CD2-CB 3.95Å; F87-N160 HydrophobicContact CE2-CB 3.88Å; F87-N160 HydrophobicContact CG-CB 4.48Å; F87-N160 HydrophobicContact CZ-CB 4.35Å; F87-N160 WeakPolarHBondContact CZ-O 3.49Å; F87-L163 HydrophobicContact CD1-CD2 3.95Å; F87-L163 HydrophobicContact CE1-CB 4.23Å; F87-L163 HydrophobicContact CE1-CD2 3.51Å; F87-L163 HydrophobicContact CE1-CG 3.83Å; F87-L163 HydrophobicContact CZ-CB 4.48Å; F87-L163 HydrophobicContact CZ-CG 4.48Å; F87-E164 HydrophobicContact CE2-CB 4.43Å; F87-E164 HydrophobicContact CZ-CB 3.95Å; F87-F189 AromaticContact CD1-CE2 3.77Å; F87-F189 HydrophobicContact CD1-CE2 3.77Å; F87-F189 HydrophobicContact CD1-CZ 4.44Å; F87-F189 AromaticContact CE1-CE2 3.7Å; F87-F189 HydrophobicContact CE1-CE2 3.7Å; F87-F189 AromaticContact CE1-CZ 3.92Å; F87-F189 HydrophobicContact CE1-CZ 3.92Å
88	S	89.7	Confident	88	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-57.6	-46.8	173.9	172.8	0	0	0	0	111.2	V84 S85 L90 A91 T255	V84-S88 PolarHBondContact O-N 3.1Å; S85-S88 PolarHBondContact O-N 3.02Å; S88-L90 PolarHBondContact O-N 2.81Å; S88-A91 PolarHBondContact O-N 2.99Å; S88-T255 WeakPolarHBondContact OG-CB 3.46Å; S88-T255 PolarHBondContact OG-OG1 3.43Å
89	C	91.3	Very high	88.7	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.007	14%	0.143	C	C	.	.	H	α-helix	trans	-65.7	-37.4	177.2	-64.1	0	0	0	0	112.1	S85 A86 F87 A91 V92 I186 L227 C229 T255	S85-C89 PolarHBondContact O-N 3.46Å; S85-C89 PolarHBondContact O-SG 2.79Å; S85-C89 VanDerWaalsContact O-SG 3.34Å; A86-C89 PolarHBondContact O-N 3Å; F87-C89 VanDerWaalsContact C-N 3.34Å; F87-C89 PolarHBondContact O-N 3.13Å; C89-A91 PolarHBondContact O-N 2.87Å; C89-V92 PolarHBondContact O-N 3.46Å; C89-I186 HydrophobicContact CB-CD1 3.87Å; C89-I186 HydrophobicContact CB-CG1 4.42Å; C89-L227 WeakPolarHBondContact O-CD2 3.19Å; C89-C229 WeakPolarHBondContact CB-SG 3.25Å; C89-C229 WeakPolarHBondContact SG-CB 3.18Å; C89-C229 CovalentContact SG-SG 2.08Å; C89-C229 PolarHBondContact SG-SG 3.19Å; C89-T255 HydrophobicContact CB-CG2 4.16Å; C89-T255 VanDerWaalsContact SG-CG2 3.55Å; C89-T255 PolarHBondContact SG-OG1 2.7Å
90	L	92.8	Very high	89.7	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-64.2	-39	176.9	179.9	62.9	0	0	0	112.2	A86 F87 S88 V92 Q93 H96 W97 T100 L163 F189 T190	A86-L90 VanDerWaalsContact O-CB 3.31Å; A86-L90 WeakPolarHBondContact O-CB 3.11Å; A86-L90 PolarHBondContact O-N 2.86Å; F87-L90 PolarHBondContact O-N 3.31Å; S88-L90 PolarHBondContact O-N 2.81Å; L90-V92 VanDerWaalsContact C-N 3.26Å; L90-V92 PolarHBondContact O-N 3.43Å; L90-Q93 PolarHBondContact O-N 2.75Å; L90-H96 HydrophobicContact CD1-CB 3.86Å; L90-W97 HydrophobicContact CD1-CB 3.97Å; L90-W97 HydrophobicContact CD2-CB 4.23Å; L90-W97 HydrophobicContact CG-CB 3.75Å; L90-T100 HydrophobicContact CD2-CG2 4.26Å; L90-L163 HydrophobicContact CD2-CD2 3.87Å; L90-F189 HydrophobicContact CB-CD2 4.45Å; L90-F189 HydrophobicContact CD1-CB 4.16Å; L90-F189 HydrophobicContact CD2-CB 4.32Å; L90-F189 HydrophobicContact CD2-CD2 3.8Å; L90-F189 HydrophobicContact CD2-CE2 4.5Å; L90-F189 HydrophobicContact CD2-CG 4.33Å; L90-T190 HydrophobicContact CD1-CG2 3.92Å
91	A	90.3	Very high	90.5	Very high	11 Å²	11	24.9 Å²	24.9	9%	0.091	13%	0.132	C	C	.	.	H	α-helix	trans	-67.2	-22.8	-178.8	0	0	0	0	0	113.8	I68 S69 N70 F87 S88 C89 Q93	I68-A91 HydrophobicContact CG2-CB 3.61Å; S69-A91 WeakPolarHBondContact O-CB 3.41Å; N70-A91 HydrophobicContact CB-CB 3.77Å; F87-A91 WeakPolarHBondContact O-CB 3.3Å; F87-A91 PolarHBondContact O-N 2.72Å; S88-A91 PolarHBondContact O-N 2.99Å; C89-A91 PolarHBondContact O-N 2.87Å; A91-Q93 PolarHBondContact O-N 2.86Å
92	V	89.6	Confident	91.2	Very high	34 Å²	34	21.7 Å²	21.7	21%	0.206	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-33.7	179.1	175.2	0	0	0	0	112.4	C89 L90 F222 L227 T255 T257	C89-V92 PolarHBondContact O-N 3.46Å; L90-V92 VanDerWaalsContact C-N 3.26Å; L90-V92 PolarHBondContact O-N 3.43Å; V92-F222 HydrophobicContact CG1-CE2 4.12Å; V92-F222 HydrophobicContact CG1-CZ 4.34Å; V92-L227 HydrophobicContact CB-CD2 4.26Å; V92-T255 HydrophobicContact CG2-CG2 3.54Å; V92-T257 HydrophobicContact CG2-CG2 4.13Å
93	Q	88.4	Confident	91.3	Very high	66 Å²	66	24.1 Å²	24.1	31%	0.308	13%	0.129	S	C	.	.			trans	-127.4	109.6	-170.2	-177.1	63.4	3	0	0	112.5	L90 A91 S95 H96 W97 L227	L90-Q93 PolarHBondContact O-N 2.75Å; A91-Q93 PolarHBondContact O-N 2.86Å; Q93-S95 VanDerWaalsContact C-N 3.27Å; Q93-S95 VanDerWaalsContact CG-OG 3.31Å; Q93-S95 WeakPolarHBondContact CG-OG 3.28Å; Q93-S95 PolarHBondContact NE2-OG 3.45Å; Q93-S95 VanDerWaalsContact NE2-OG 3.13Å; Q93-S95 PolarHBondContact O-N 3.32Å; Q93-H96 PolarHBondContact O-N 2.8Å; Q93-W97 PolarHBondContact O-N 3.14Å; Q93-L227 HydrophobicContact CB-CD2 3.9Å
94	E	89	Confident	91.4	Very high	109 Å²	109	25.9 Å²	25.9	51%	0.509	14%	0.137	S	C	.	.	H	α-helix	trans	-55.9	-38.7	-176.1	-175.8	173.1	-179.9	0	0	114	H96 W97 T98	E94-H96 PolarHBondContact O-N 3.49Å; E94-H96 VanDerWaalsContact O-N 3.14Å; E94-W97 VanDerWaalsContact CA-CD1 3.5Å; E94-W97 HydrophobicContact CG-CZ2 3.72Å; E94-W97 PolarHBondContact O-N 2.64Å; E94-T98 HydrophobicContact CG-CG2 3.75Å; E94-T98 WeakPolarHBondContact O-CB 3.41Å; E94-T98 VanDerWaalsContact O-CG2 3.27Å; E94-T98 WeakPolarHBondContact O-CG2 3.4Å; E94-T98 PolarHBondContact O-N 2.86Å; E94-T98 PolarHBondContact O-OG1 2.91Å
95	S	89.1	Confident	91.5	Very high	57 Å²	57	33.7 Å²	33.7	40%	0.399	17%	0.171	S	C	.	.	H	α-helix	trans	-61.8	-23.9	179.4	63.1	0	0	0	0	113.8	Q93	Q93-S95 VanDerWaalsContact C-N 3.27Å; Q93-S95 VanDerWaalsContact CG-OG 3.31Å; Q93-S95 WeakPolarHBondContact CG-OG 3.28Å; Q93-S95 PolarHBondContact NE2-OG 3.45Å; Q93-S95 VanDerWaalsContact NE2-OG 3.13Å; Q93-S95 PolarHBondContact O-N 3.32Å
96	H	91.5	Very high	91.6	Very high	7 Å²	7	38.3 Å²	38.3	3%	0.032	19%	0.192	C	C	.	.	H	α-helix	trans	-87.9	-49	179.1	-71.8	-44.8	0	0	0	112	L90 Q93 E94 T98 K99 T100 T190 G225	L90-H96 HydrophobicContact CD1-CB 3.86Å; Q93-H96 PolarHBondContact O-N 2.8Å; E94-H96 PolarHBondContact O-N 3.49Å; E94-H96 VanDerWaalsContact O-N 3.14Å; H96-T98 PolarHBondContact O-N 2.91Å; H96-K99 WeakPolarHBondContact O-CB 3.41Å; H96-K99 PolarHBondContact O-N 2.82Å; H96-T100 PolarHBondContact O-N 3.43Å; H96-T100 VanDerWaalsContact O-N 3.14Å; H96-T100 PolarHBondContact O-OG1 3Å; H96-T190 HydrophobicContact CB-CG2 3.78Å; H96-G225 PolarHBondContact NE2-O 2.79Å
97	W	91.6	Very high	91.6	Very high	3 Å²	3	38.5 Å²	38.5	1%	0.011	19%	0.193	C	C	.	.	H	α-helix	trans	-69.8	-34	-177.2	76.1	-116	0	0	0	111.9	I64 N67 I68 L90 Q93 E94 K99 T100 I101 H104	I64-W97 HydrophobicContact CD1-CH2 4.46Å; I64-W97 HydrophobicContact CD1-CZ3 3.96Å; N67-W97 WeakPolarHBondContact OD1-CZ2 3.32Å; I68-W97 HydrophobicContact CB-CD2 4.1Å; I68-W97 HydrophobicContact CB-CG 4.27Å; I68-W97 HydrophobicContact CD1-CB 4.18Å; I68-W97 HydrophobicContact CD1-CD2 3.59Å; I68-W97 HydrophobicContact CD1-CE3 3.37Å; I68-W97 HydrophobicContact CD1-CG 3.95Å; I68-W97 HydrophobicContact CD1-CZ3 3.99Å; I68-W97 HydrophobicContact CG1-CD2 3.97Å; I68-W97 HydrophobicContact CG1-CE3 3.94Å; I68-W97 HydrophobicContact CG1-CG 4.48Å; I68-W97 HydrophobicContact CG1-CZ3 4.21Å; L90-W97 HydrophobicContact CD1-CB 3.97Å; L90-W97 HydrophobicContact CD2-CB 4.23Å; L90-W97 HydrophobicContact CG-CB 3.75Å; Q93-W97 PolarHBondContact O-N 3.14Å; E94-W97 VanDerWaalsContact CA-CD1 3.5Å; E94-W97 HydrophobicContact CG-CZ2 3.72Å; E94-W97 PolarHBondContact O-N 2.64Å; W97-K99 PolarHBondContact O-N 3.19Å; W97-T100 CarbonylContact O-C 3.59Å; W97-T100 WeakPolarHBondContact O-CB 3.17Å; W97-T100 PolarHBondContact O-N 2.8Å; W97-I101 PolarHBondContact O-N 2.94Å; W97-H104 AromaticContact CH2-CE1 3.67Å; W97-H104 AromaticContact CH2-ND1 3.84Å; W97-H104 AromaticContact CZ3-CE1 3.97Å; W97-H104 AromaticContact CZ3-ND1 3.64Å
98	T	92.4	Very high	91.6	Very high	49 Å²	49	40.5 Å²	40.5	30%	0.301	20%	0.202	S	C	.	.	H	α-helix	trans	-65.4	-25.2	174.9	52.5	0	0	0	0	112.9	E94 H96 I101 P102	E94-T98 HydrophobicContact CG-CG2 3.75Å; E94-T98 WeakPolarHBondContact O-CB 3.41Å; E94-T98 VanDerWaalsContact O-CG2 3.27Å; E94-T98 WeakPolarHBondContact O-CG2 3.4Å; E94-T98 PolarHBondContact O-N 2.86Å; E94-T98 PolarHBondContact O-OG1 2.91Å; H96-T98 PolarHBondContact O-N 2.91Å; T98-I101 CarbonylContact O-C 3.48Å; T98-P102 WeakPolarHBondContact O-CA 3.4Å
99	K	92.8	Very high	91.7	Very high	70 Å²	70	41.1 Å²	41.1	30%	0.304	21%	0.205	S	C	.	.	H	α-helix	trans	-75.8	-37.7	172	-167.5	175.8	-175.4	-176.7	0	111.7	H96 W97 R124 W131	H96-K99 WeakPolarHBondContact O-CB 3.41Å; H96-K99 PolarHBondContact O-N 2.82Å; W97-K99 PolarHBondContact O-N 3.19Å; K99-R124 WeakPolarHBondContact O-CB 3.44Å; K99-W131 HydrophobicContact CD-CH2 3.67Å; K99-W131 HydrophobicContact CD-CZ2 3.61Å; K99-W131 HydrophobicContact CD-CZ3 4.26Å; K99-W131 HydrophobicContact CG-CH2 4.04Å; K99-W131 HydrophobicContact CG-CZ2 4.39Å; K99-W131 HydrophobicContact CG-CZ3 4.18Å; K99-W131 VanDerWaalsContact NZ-NE1 3.2Å
100	T	95.5	Very high	91.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-71.9	-38.6	178.2	-51	0	0	0	0	111.9	L90 H96 W97 P102 F123 R124 L163 F189	L90-T100 HydrophobicContact CD2-CG2 4.26Å; H96-T100 PolarHBondContact O-N 3.43Å; H96-T100 VanDerWaalsContact O-N 3.14Å; H96-T100 PolarHBondContact O-OG1 3Å; W97-T100 CarbonylContact O-C 3.59Å; W97-T100 WeakPolarHBondContact O-CB 3.17Å; W97-T100 PolarHBondContact O-N 2.8Å; T100-P102 VanDerWaalsContact C-CD 3.47Å; T100-P102 WeakPolarHBondContact O-CD 3.28Å; T100-F123 CarbonylContact O-C 3.59Å; T100-F123 VanDerWaalsContact O-CA 3.32Å; T100-F123 WeakPolarHBondContact O-CA 3.35Å; T100-R124 WeakPolarHBondContact CA-O 3.41Å; T100-R124 PolarHBondContact O-N 2.79Å; T100-L163 HydrophobicContact CG2-CD1 3.59Å; T100-L163 HydrophobicContact CG2-CD2 4.23Å; T100-F189 PolarHBondContact OG1-O 3.14Å
101	I	95.6	Very high	91.2	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-117.5	74.6	-178.2	-51.2	169.3	0	0	0	108	L63 I68 W97 T98 H104 F123 W159	L63-I101 HydrophobicContact CD2-CG2 4.37Å; I68-I101 HydrophobicContact CD1-CD1 3.37Å; W97-I101 PolarHBondContact O-N 2.94Å; T98-I101 CarbonylContact O-C 3.48Å; I101-H104 HydrophobicContact CG2-CB 3.83Å; I101-F123 HydrophobicContact CB-CD1 4.49Å; I101-F123 HydrophobicContact CD1-CE1 4.35Å; I101-F123 HydrophobicContact CG1-CD1 3.81Å; I101-F123 HydrophobicContact CG1-CE1 3.85Å; I101-F123 HydrophobicContact CG2-CD1 4.45Å; I101-F123 HydrophobicContact CG2-CE1 4.12Å; I101-W159 HydrophobicContact CD1-CB 4.33Å; I101-W159 HydrophobicContact CD1-CE3 4.05Å
102	P	94.1	Very high	91.1	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.019	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	135.1	-170.8	30.3	-38.4	0	0	0	111.6	T98 T100 H104 Q107 R122 R124	T98-P102 WeakPolarHBondContact O-CA 3.4Å; T100-P102 VanDerWaalsContact C-CD 3.47Å; T100-P102 WeakPolarHBondContact O-CD 3.28Å; P102-H104 PolarHBondContact O-N 3.42Å; P102-Q107 PolarHBondContact O-NE2 3.02Å; P102-R122 HydrophobicContact CG-CG 4.24Å; P102-R124 HydrophobicContact CG-CG 4Å
103	N	92.4	Very high	91	Very high	85 Å²	85	57.2 Å²	57.2	46%	0.455	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	44.4	-179.7	-49.6	-12.9	0	0	0	112.6	K105 E106 R122	N103-K105 PolarHBondContact O-N 3.32Å; N103-E106 HydrophobicContact CB-CB 4.2Å; N103-E106 HydrophobicContact CB-CG 3.94Å; N103-E106 VanDerWaalsContact CB-OE2 3.29Å; N103-E106 WeakPolarHBondContact CB-OE2 3.11Å; N103-E106 PolarHBondContact ND2-OE1 2.86Å; N103-E106 PolarHBondContact ND2-OE2 2.91Å; N103-E106 WeakPolarHBondContact O-CB 3.19Å; N103-E106 PolarHBondContact O-N 3.01Å; N103-R122 PolarHBondContact ND2-NH2 3.1Å
104	H	91.1	Very high	90.9	Very high	37 Å²	37	59.1 Å²	59.1	17%	0.171	30%	0.299	C	S	.	.	H	α-helix	trans	-45	-39.1	-177.9	64	-81.8	0	0	0	113.7	L63 I64 W97 I101 P102 E106 Q107 E108	L63-H104 HydrophobicContact CD2-CB 4.25Å; I64-H104 HydrophobicContact CD1-CB 3.73Å; W97-H104 AromaticContact CH2-CE1 3.67Å; W97-H104 AromaticContact CH2-ND1 3.84Å; W97-H104 AromaticContact CZ3-CE1 3.97Å; W97-H104 AromaticContact CZ3-ND1 3.64Å; I101-H104 HydrophobicContact CG2-CB 3.83Å; P102-H104 PolarHBondContact O-N 3.42Å; H104-E106 VanDerWaalsContact C-N 3.27Å; H104-E106 PolarHBondContact O-N 2.91Å; H104-Q107 WeakPolarHBondContact O-CA 3.25Å; H104-Q107 WeakPolarHBondContact O-CB 3.49Å; H104-Q107 PolarHBondContact O-N 2.93Å; H104-E108 PolarHBondContact O-N 3.19Å; H104-E108 VanDerWaalsContact O-N 3.09Å
105	K	90.6	Very high	90.7	Very high	169 Å²	169	59.2 Å²	59.2	74%	0.735	30%	0.303	S	S	*	.	H	α-helix	trans	-60.6	-28.1	176.7	-57.3	-171.6	178.9	-179.9	0	114.8	N103 Q107	N103-K105 PolarHBondContact O-N 3.32Å; K105-Q107 VanDerWaalsContact C-N 3.29Å
106	E	90.5	Very high	90.7	Very high	102 Å²	102	61.8 Å²	61.8	48%	0.477	31%	0.307	S	S	.	.	H	α-helix	trans	-79.2	-14.9	175.7	-64.1	174.7	178.7	0	0	112.9	K17 N103 H104 R122	K17-E106 PolarHBondContact NZ-O 2.98Å; N103-E106 HydrophobicContact CB-CB 4.2Å; N103-E106 HydrophobicContact CB-CG 3.94Å; N103-E106 VanDerWaalsContact CB-OE2 3.29Å; N103-E106 WeakPolarHBondContact CB-OE2 3.11Å; N103-E106 PolarHBondContact ND2-OE1 2.86Å; N103-E106 PolarHBondContact ND2-OE2 2.91Å; N103-E106 WeakPolarHBondContact O-CB 3.19Å; N103-E106 PolarHBondContact O-N 3.01Å; H104-E106 VanDerWaalsContact C-N 3.27Å; H104-E106 PolarHBondContact O-N 2.91Å; E106-R122 IonicContact OE2-NH2 3.66Å; E106-R122 PolarHBondContact OE2-NH2 2.86Å; E106-R122 VanDerWaalsContact OE2-NH2 3.13Å
107	Q	93.1	Very high	90.8	Very high	5 Å²	5	63.4 Å²	63.4	2%	0.023	31%	0.313	C	S	.	.	H	α-helix	trans	-102.7	-13.7	-178.4	-49	-166.6	57.8	0	0	112.1	L63 P102 H104 K105 F121 R122	L63-Q107 HydrophobicContact CD2-CB 3.84Å; P102-Q107 PolarHBondContact O-NE2 3.02Å; H104-Q107 WeakPolarHBondContact O-CA 3.25Å; H104-Q107 WeakPolarHBondContact O-CB 3.49Å; H104-Q107 PolarHBondContact O-N 2.93Å; K105-Q107 VanDerWaalsContact C-N 3.29Å; Q107-F121 HydrophobicContact CB-CD1 3.96Å; Q107-F121 HydrophobicContact CB-CE1 4.22Å; Q107-F121 WeakPolarHBondContact O-CE1 3.42Å; Q107-R122 PolarHBondContact NE2-O 2.99Å; Q107-R122 VanDerWaalsContact NE2-O 3.09Å; Q107-R122 PolarHBondContact OE1-O 3.26Å
108	E	91.8	Very high	91	Very high	41 Å²	41	63.3 Å²	63.3	19%	0.192	31%	0.313	C	S	.	.	S	Bend	trans	-60.2	148.8	-178.3	-172.1	53.6	-91.8	0	0	112.8	R62 L63 I64 H104 D110	R62-E108 VanDerWaalsContact CA-OE1 3.28Å; R62-E108 WeakPolarHBondContact CA-OE1 3.14Å; L63-E108 WeakPolarHBondContact CB-OE2 3.35Å; L63-E108 VanDerWaalsContact N-CD 3.33Å; L63-E108 PolarHBondContact N-OE1 2.78Å; L63-E108 PolarHBondContact N-OE2 2.79Å; L63-E108 VanDerWaalsContact N-OE2 3.16Å; I64-E108 PolarHBondContact N-OE2 2.89Å; I64-E108 VanDerWaalsContact N-OE2 3.16Å; H104-E108 PolarHBondContact O-N 3.19Å; H104-E108 VanDerWaalsContact O-N 3.09Å; E108-D110 PolarHBondContact O-N 2.76Å
109	W	92.7	Very high	91.2	Very high	13 Å²	13	61 Å²	61	5%	0.049	30%	0.299	C	S	.	.			trans	-69.9	95.2	164.3	-69	-87	0	0	0	108.6	P54 P61 R62 L63 P111 Y117 F121 D138 F158 L162	P54-W109 HydrophobicContact CB-CH2 4.06Å; P54-W109 HydrophobicContact CB-CZ2 3.76Å; P54-W109 HydrophobicContact CG-CH2 3.75Å; P54-W109 HydrophobicContact CG-CZ2 3.57Å; P61-W109 HydrophobicContact CB-CD2 4.05Å; P61-W109 HydrophobicContact CB-CE3 4.29Å; P61-W109 HydrophobicContact CB-CG 4.41Å; P61-W109 HydrophobicContact CG-CD2 4.24Å; P61-W109 HydrophobicContact CG-CG 4.11Å; P61-W109 WeakPolarHBondContact O-CB 3.42Å; R62-W109 PolarHBondContact NH1-O 2.82Å; R62-W109 VanDerWaalsContact NH1-O 3.08Å; R62-W109 WeakPolarHBondContact O-CZ3 3.39Å; L63-W109 HydrophobicContact CB-CE3 4.21Å; L63-W109 HydrophobicContact CB-CZ3 3.97Å; W109-P111 VanDerWaalsContact O-CD 3.31Å; W109-P111 WeakPolarHBondContact O-CD 3.35Å; W109-Y117 AromaticContact CD1-CD2 3.59Å; W109-Y117 AromaticContact CD1-CE2 3.58Å; W109-Y117 AromaticContact NE1-CD2 3.59Å; W109-Y117 AromaticContact NE1-CE2 3.07Å; W109-Y117 AromaticContact NE1-CZ 3.66Å; W109-F121 HydrophobicContact CD2-CZ 4.24Å; W109-F121 AromaticContact CE2-CZ 3.79Å; W109-F121 HydrophobicContact CE3-CZ 4.28Å; W109-F121 HydrophobicContact CH2-CE1 4.13Å; W109-F121 HydrophobicContact CH2-CE2 4.19Å; W109-F121 AromaticContact CH2-CZ 3.53Å; W109-F121 HydrophobicContact CH2-CZ 3.53Å; W109-F121 HydrophobicContact CZ2-CE1 4.4Å; W109-F121 AromaticContact CZ2-CE2 3.85Å; W109-F121 HydrophobicContact CZ2-CE2 3.85Å; W109-F121 AromaticContact CZ2-CZ 3.4Å; W109-F121 HydrophobicContact CZ2-CZ 3.4Å; W109-F121 VanDerWaalsContact CZ2-CZ 3.4Å; W109-F121 HydrophobicContact CZ3-CE1 4.23Å; W109-F121 AromaticContact CZ3-CZ 3.97Å; W109-F121 HydrophobicContact CZ3-CZ 3.97Å; W109-D138 HydrophobicContact CZ2-CB 4.41Å; W109-F158 HydrophobicContact CH2-CB 4.03Å; W109-F158 HydrophobicContact CH2-CG 4.45Å; W109-F158 HydrophobicContact CZ3-CB 4.2Å; W109-F158 HydrophobicContact CZ3-CD2 4.5Å; W109-L162 HydrophobicContact CH2-CD1 3.79Å; W109-L162 HydrophobicContact CZ3-CD1 4.48Å
110	D	88.4	Confident	91.5	Very high	47 Å²	47	57.9 Å²	57.9	25%	0.251	29%	0.286	S	S	.	.			trans	-90.3	108.3	178.6	-173.5	-10.9	0	0	0	110.1	E108 Q112 K113 T114	E108-D110 PolarHBondContact O-N 2.76Å; D110-Q112 PolarHBondContact O-N 3.17Å; D110-Q112 VanDerWaalsContact O-N 3.13Å; D110-Q112 WeakPolarHBondContact OD1-CA 3.43Å; D110-Q112 WeakPolarHBondContact OD1-CB 3.45Å; D110-Q112 PolarHBondContact OD1-N 2.86Å; D110-K113 HydrophobicContact CB-CB 4.14Å; D110-K113 CarbonylContact O-C 3.28Å; D110-K113 VanDerWaalsContact O-C 3.28Å; D110-K113 PolarHBondContact O-N 2.73Å; D110-K113 WeakPolarHBondContact OD2-CG 3.27Å; D110-K113 IonicContact OD2-NZ 3.11Å; D110-K113 PolarHBondContact OD2-NZ 3.36Å; D110-T114 PolarHBondContact O-N 3.08Å
111	P	84.9	Confident	91.6	Very high	80 Å²	80	58 Å²	58	52%	0.519	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.6	179.6	27.9	-35.6	0	0	0	112.5	W109	W109-P111 VanDerWaalsContact O-CD 3.31Å; W109-P111 WeakPolarHBondContact O-CD 3.35Å
112	Q	87.6	Confident	91.7	Very high	174 Å²	174	58.5 Å²	58.5	81%	0.813	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-12	175.2	-57.1	-175.4	-6.9	0	0	112.9	D110	D110-Q112 PolarHBondContact O-N 3.17Å; D110-Q112 VanDerWaalsContact O-N 3.13Å; D110-Q112 WeakPolarHBondContact OD1-CA 3.43Å; D110-Q112 WeakPolarHBondContact OD1-CB 3.45Å; D110-Q112 PolarHBondContact OD1-N 2.86Å
113	K	87.9	Confident	91.9	Very high	85 Å²	85	58.3 Å²	58.3	37%	0.37	29%	0.287	S	S	.	.			trans	-136.8	54.2	-177.7	-54.2	-166	-160	78	0	110.9	D110 D115 K116	D110-K113 HydrophobicContact CB-CB 4.14Å; D110-K113 CarbonylContact O-C 3.28Å; D110-K113 VanDerWaalsContact O-C 3.28Å; D110-K113 PolarHBondContact O-N 2.73Å; D110-K113 WeakPolarHBondContact OD2-CG 3.27Å; D110-K113 IonicContact OD2-NZ 3.11Å; D110-K113 PolarHBondContact OD2-NZ 3.36Å; K113-D115 VanDerWaalsContact C-OD1 3.29Å; K113-D115 WeakPolarHBondContact CA-OD1 3.01Å; K113-D115 PolarHBondContact O-N 2.93Å; K113-K116 HydrophobicContact CB-CB 4.31Å; K113-K116 HydrophobicContact CB-CD 3.99Å; K113-K116 HydrophobicContact CB-CG 4.04Å; K113-K116 HydrophobicContact CD-CD 3.74Å; K113-K116 HydrophobicContact CG-CD 4.49Å; K113-K116 WeakPolarHBondContact O-CB 3.37Å; K113-K116 PolarHBondContact O-N 2.85Å
114	T	85.4	Confident	92.2	Very high	106 Å²	106	57.5 Å²	57.5	65%	0.65	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-60.8	-27.6	-178.2	52.2	0	0	0	0	112.8	D110 K116 Y117	D110-T114 PolarHBondContact O-N 3.08Å; T114-K116 PolarHBondContact O-N 2.9Å; T114-Y117 PolarHBondContact O-N 2.76Å
115	D	85.9	Confident	92.5	Very high	111 Å²	111	55.8 Å²	55.8	59%	0.594	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-64.5	-20.1	173.5	66.1	-50.4	0	0	0	113.8	K113	K113-D115 VanDerWaalsContact C-OD1 3.29Å; K113-D115 WeakPolarHBondContact CA-OD1 3.01Å; K113-D115 PolarHBondContact O-N 2.93Å
116	K	89.3	Confident	92.7	Very high	111 Å²	111	48.3 Å²	48.3	48%	0.483	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-90	-12.2	179.2	-62.6	-167.4	-178.7	-172.8	0	113.9	K17 K113 T114	K17-K116 WeakPolarHBondContact CE-O 3.39Å; K113-K116 HydrophobicContact CB-CB 4.31Å; K113-K116 HydrophobicContact CB-CD 3.99Å; K113-K116 HydrophobicContact CB-CG 4.04Å; K113-K116 HydrophobicContact CD-CD 3.74Å; K113-K116 HydrophobicContact CG-CD 4.49Å; K113-K116 WeakPolarHBondContact O-CB 3.37Å; K113-K116 PolarHBondContact O-N 2.85Å; T114-K116 PolarHBondContact O-N 2.9Å
117	Y	93.8	Very high	92.8	Very high	40 Å²	40	45.6 Å²	45.6	16%	0.157	22%	0.224	C	C	.	.			trans	-77	131.3	174.9	167.6	-103.9	0	0	0	109.8	L26 Q55 W109 T114 G119 D138	L26-Y117 HydrophobicContact CD2-CD1 3.96Å; L26-Y117 HydrophobicContact CD2-CE1 3.46Å; L26-Y117 VanDerWaalsContact CD2-CE1 3.46Å; Q55-Y117 PolarHBondContact OE1-OH 2.71Å; W109-Y117 AromaticContact CD1-CD2 3.59Å; W109-Y117 AromaticContact CD1-CE2 3.58Å; W109-Y117 AromaticContact NE1-CD2 3.59Å; W109-Y117 AromaticContact NE1-CE2 3.07Å; W109-Y117 AromaticContact NE1-CZ 3.66Å; T114-Y117 PolarHBondContact O-N 2.76Å; Y117-G119 VanDerWaalsContact CE2-CA 3.47Å; Y117-G119 VanDerWaalsContact CE2-N 3.29Å; Y117-D138 WeakPolarHBondContact CE2-OD2 3.38Å; Y117-D138 PolarHBondContact OH-OD2 2.82Å
118	A	96.1	Very high	92.7	Very high	2 Å²	2	46.5 Å²	46.5	2%	0.017	23%	0.228	C	C	.	.			trans	-137.9	18.8	-179.5	0	0	0	0	0	112.3	C20 V21 F27 I120	C20-A118 HydrophobicContact CB-CB 3.75Å; V21-A118 HydrophobicContact CG2-CB 3.98Å; F27-A118 WeakPolarHBondContact CB-O 3.12Å; F27-A118 PolarHBondContact N-O 3.41Å; A118-I120 VanDerWaalsContact C-N 3.27Å; A118-I120 HydrophobicContact CB-CG2 4.01Å; A118-I120 PolarHBondContact O-N 2.89Å
119	G	96.8	Very high	92.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	58.3	34.5	179.8	0	0	0	0	0	114	R53 Y117 D137 D138	R53-G119 PolarHBondContact NH1-O 3Å; Y117-G119 VanDerWaalsContact CE2-CA 3.47Å; Y117-G119 VanDerWaalsContact CE2-N 3.29Å; G119-D137 WeakPolarHBondContact O-CA 3.48Å; G119-D137 WeakPolarHBondContact O-CB 3.36Å; G119-D138 PolarHBondContact O-N 3.39Å
120	I	98	Very high	92.6	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.9	-173.8	-170.9	173.6	0	0	0	111.1	Y13 L16 K17 F27 A118 V135 I136	Y13-I120 HydrophobicContact CD2-CD1 4.32Å; Y13-I120 HydrophobicContact CD2-CG1 4.12Å; Y13-I120 HydrophobicContact CE2-CG1 4.18Å; Y13-I120 HydrophobicContact CE2-CG2 4.2Å; L16-I120 HydrophobicContact CB-CD1 3.63Å; K17-I120 HydrophobicContact CB-CG2 3.84Å; K17-I120 HydrophobicContact CD-CG2 4.13Å; K17-I120 HydrophobicContact CG-CG2 3.88Å; F27-I120 HydrophobicContact CB-CB 3.74Å; F27-I120 HydrophobicContact CB-CD1 4.3Å; F27-I120 HydrophobicContact CB-CG1 4.25Å; F27-I120 HydrophobicContact CD1-CB 3.93Å; F27-I120 HydrophobicContact CD1-CD1 3.83Å; F27-I120 HydrophobicContact CD1-CG1 3.6Å; F27-I120 HydrophobicContact CD2-CD1 4.06Å; F27-I120 HydrophobicContact CE1-CD1 4.14Å; F27-I120 HydrophobicContact CE1-CG1 4.1Å; F27-I120 HydrophobicContact CE2-CD1 4.36Å; F27-I120 HydrophobicContact CG-CB 4.01Å; F27-I120 HydrophobicContact CG-CD1 3.8Å; F27-I120 HydrophobicContact CG-CG1 3.94Å; F27-I120 HydrophobicContact CZ-CD1 4.39Å; A118-I120 VanDerWaalsContact C-N 3.27Å; A118-I120 HydrophobicContact CB-CG2 4.01Å; A118-I120 PolarHBondContact O-N 2.89Å; I120-V135 HydrophobicContact CD1-CG1 3.69Å; I120-V135 HydrophobicContact CG1-CG1 3.65Å; I120-I136 WeakPolarHBondContact CA-O 3.35Å
121	F	98.3	Very high	92.9	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	161.4	-177.6	-65.7	-96.8	0	0	0	110.8	L63 Q107 W109 F123 V135 I136 D138 L162	L63-F121 HydrophobicContact CB-CE1 4.49Å; L63-F121 HydrophobicContact CD1-CD1 3.96Å; L63-F121 HydrophobicContact CD1-CE1 3.87Å; L63-F121 HydrophobicContact CD2-CD1 4.19Å; L63-F121 HydrophobicContact CD2-CE1 4.15Å; L63-F121 HydrophobicContact CG-CE1 4.4Å; Q107-F121 HydrophobicContact CB-CD1 3.96Å; Q107-F121 HydrophobicContact CB-CE1 4.22Å; Q107-F121 WeakPolarHBondContact O-CE1 3.42Å; W109-F121 HydrophobicContact CD2-CZ 4.24Å; W109-F121 AromaticContact CE2-CZ 3.79Å; W109-F121 HydrophobicContact CE3-CZ 4.28Å; W109-F121 HydrophobicContact CH2-CE1 4.13Å; W109-F121 HydrophobicContact CH2-CE2 4.19Å; W109-F121 AromaticContact CH2-CZ 3.53Å; W109-F121 HydrophobicContact CH2-CZ 3.53Å; W109-F121 HydrophobicContact CZ2-CE1 4.4Å; W109-F121 AromaticContact CZ2-CE2 3.85Å; W109-F121 HydrophobicContact CZ2-CE2 3.85Å; W109-F121 AromaticContact CZ2-CZ 3.4Å; W109-F121 HydrophobicContact CZ2-CZ 3.4Å; W109-F121 VanDerWaalsContact CZ2-CZ 3.4Å; W109-F121 HydrophobicContact CZ3-CE1 4.23Å; W109-F121 AromaticContact CZ3-CZ 3.97Å; W109-F121 HydrophobicContact CZ3-CZ 3.97Å; F121-F123 HydrophobicContact CB-CE2 3.86Å; F121-F123 HydrophobicContact CB-CZ 4.42Å; F121-V135 CarbonylContact O-C 3.48Å; F121-V135 VanDerWaalsContact O-CA 3.3Å; F121-V135 WeakPolarHBondContact O-CA 3.25Å; F121-I136 HydrophobicContact CB-CG1 4.12Å; F121-I136 PolarHBondContact N-O 2.91Å; F121-I136 PolarHBondContact O-N 2.88Å; F121-D138 HydrophobicContact CD2-CB 3.89Å; F121-D138 HydrophobicContact CE2-CB 3.6Å; F121-L162 HydrophobicContact CD1-CD1 4.02Å; F121-L162 HydrophobicContact CD2-CD1 4.11Å; F121-L162 HydrophobicContact CE1-CD1 4.05Å; F121-L162 HydrophobicContact CE2-CD1 4.18Å; F121-L162 HydrophobicContact CG-CD1 4.06Å; F121-L162 HydrophobicContact CZ-CD1 4.15Å
122	R	97.9	Very high	93.5	Very high	11 Å²	11	45 Å²	45	4%	0.042	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	142.9	174.8	63.3	167.2	-177.6	-131.9	-13.2	112.1	Y13 Q14 P102 N103 E106 Q107 E133 V134 V135	Y13-R122 HydrophobicContact CD1-CG 4.3Å; Y13-R122 HydrophobicContact CD2-CB 3.76Å; Y13-R122 HydrophobicContact CD2-CG 3.86Å; Y13-R122 HydrophobicContact CE2-CB 4.36Å; Y13-R122 HydrophobicContact CE2-CG 4.14Å; Y13-R122 HydrophobicContact CG-CB 4.05Å; Y13-R122 HydrophobicContact CG-CG 3.93Å; Q14-R122 VanDerWaalsContact NE2-NH1 3.14Å; P102-R122 HydrophobicContact CG-CG 4.24Å; N103-R122 PolarHBondContact ND2-NH2 3.1Å; E106-R122 IonicContact OE2-NH2 3.66Å; E106-R122 PolarHBondContact OE2-NH2 2.86Å; E106-R122 VanDerWaalsContact OE2-NH2 3.13Å; Q107-R122 PolarHBondContact NE2-O 2.99Å; Q107-R122 VanDerWaalsContact NE2-O 3.09Å; Q107-R122 PolarHBondContact OE1-O 3.26Å; R122-E133 HydrophobicContact CB-CG 4.21Å; R122-V134 VanDerWaalsContact CA-O 3.31Å; R122-V134 WeakPolarHBondContact CA-O 3.49Å; R122-V135 HydrophobicContact CB-CG2 4.49Å
123	F	98.3	Very high	94	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	158.4	177.6	-60.7	-86.5	0	0	0	109.8	T100 I101 F121 F125 E133 V134 I136 L162 L163 A166	T100-F123 CarbonylContact O-C 3.59Å; T100-F123 VanDerWaalsContact O-CA 3.32Å; T100-F123 WeakPolarHBondContact O-CA 3.35Å; I101-F123 HydrophobicContact CB-CD1 4.49Å; I101-F123 HydrophobicContact CD1-CE1 4.35Å; I101-F123 HydrophobicContact CG1-CD1 3.81Å; I101-F123 HydrophobicContact CG1-CE1 3.85Å; I101-F123 HydrophobicContact CG2-CD1 4.45Å; I101-F123 HydrophobicContact CG2-CE1 4.12Å; F121-F123 HydrophobicContact CB-CE2 3.86Å; F121-F123 HydrophobicContact CB-CZ 4.42Å; F123-F125 HydrophobicContact CB-CE2 3.91Å; F123-F125 HydrophobicContact CB-CZ 3.98Å; F123-E133 CarbonylContact O-C 3.47Å; F123-E133 VanDerWaalsContact O-CA 3.31Å; F123-E133 WeakPolarHBondContact O-CA 3.3Å; F123-V134 PolarHBondContact N-O 2.81Å; F123-V134 PolarHBondContact O-N 2.9Å; F123-I136 HydrophobicContact CD2-CD1 4.28Å; F123-I136 HydrophobicContact CD2-CG1 4.28Å; F123-I136 HydrophobicContact CE2-CD1 3.78Å; F123-I136 HydrophobicContact CE2-CG1 4Å; F123-L162 HydrophobicContact CE2-CB 4Å; F123-L162 HydrophobicContact CZ-CB 3.64Å; F123-L163 HydrophobicContact CB-CD1 4.16Å; F123-L163 HydrophobicContact CD1-CB 4.21Å; F123-L163 HydrophobicContact CD1-CD1 3.5Å; F123-L163 HydrophobicContact CD1-CG 4.45Å; F123-L163 HydrophobicContact CE1-CB 4Å; F123-L163 HydrophobicContact CE1-CD1 4.16Å; F123-L163 HydrophobicContact CG-CD1 4.01Å; F123-A166 HydrophobicContact CB-CB 3.94Å; F123-A166 HydrophobicContact CD2-CB 3.39Å; F123-A166 HydrophobicContact CE2-CB 4.18Å; F123-A166 HydrophobicContact CG-CB 3.85Å
124	R	97.6	Very high	94.5	Very high	68 Å²	68	33.2 Å²	33.2	26%	0.257	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	130.6	178.4	-67.7	176.4	179.9	167.2	2.7	110.3	L5 K99 T100 P102 W131 T132 E133	L5-R124 HydrophobicContact CD1-CG 4.27Å; K99-R124 WeakPolarHBondContact O-CB 3.44Å; T100-R124 WeakPolarHBondContact CA-O 3.41Å; T100-R124 PolarHBondContact O-N 2.79Å; P102-R124 HydrophobicContact CG-CG 4Å; R124-W131 HydrophobicContact CB-CE3 4.1Å; R124-W131 HydrophobicContact CB-CZ3 4.4Å; R124-T132 WeakPolarHBondContact CA-O 3.46Å; R124-E133 HydrophobicContact CG-CB 4.22Å; R124-E133 HydrophobicContact CG-CG 4.23Å; R124-E133 IonicContact CZ-OE2 3.86Å; R124-E133 IonicContact NE-OE2 3.06Å; R124-E133 PolarHBondContact NE-OE2 2.88Å; R124-E133 IonicContact NH2-OE2 2.9Å; R124-E133 PolarHBondContact NH2-OE2 3.27Å
125	F	97.3	Very high	95.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.9	177.5	-56.9	-74.7	0	0	0	109.5	F123 H127 W131 T132 V134 L163 A166 Y167 L170 D188 F189	F123-F125 HydrophobicContact CB-CE2 3.91Å; F123-F125 HydrophobicContact CB-CZ 3.98Å; F125-H127 PolarHBondContact O-N 2.86Å; F125-W131 CarbonylContact O-C 3.58Å; F125-W131 WeakPolarHBondContact O-CA 3.5Å; F125-T132 PolarHBondContact N-O 3.44Å; F125-T132 PolarHBondContact O-N 3.15Å; F125-V134 HydrophobicContact CD2-CB 4.32Å; F125-V134 HydrophobicContact CD2-CG2 3.73Å; F125-V134 HydrophobicContact CE2-CB 4.12Å; F125-V134 HydrophobicContact CE2-CG2 3.98Å; F125-L163 HydrophobicContact CE1-CD1 3.58Å; F125-L163 HydrophobicContact CZ-CD1 3.63Å; F125-A166 HydrophobicContact CE2-CB 3.85Å; F125-A166 HydrophobicContact CZ-CB 3.91Å; F125-Y167 AromaticContact CD1-CD2 3.92Å; F125-Y167 HydrophobicContact CD1-CD2 3.92Å; F125-Y167 AromaticContact CE1-CD2 3.91Å; F125-Y167 HydrophobicContact CE1-CD2 3.91Å; F125-Y167 HydrophobicContact CE1-CG 4.2Å; F125-Y167 HydrophobicContact CG-CD2 4.33Å; F125-Y167 HydrophobicContact CZ-CD2 4.31Å; F125-Y167 HydrophobicContact CZ-CG 4.46Å; F125-L170 HydrophobicContact CB-CD2 3.67Å; F125-L170 HydrophobicContact CD2-CD2 3.81Å; F125-L170 HydrophobicContact CG-CD2 3.86Å; F125-D188 CarbonylContact C-O 3.48Å; F125-D188 VanDerWaalsContact CA-O 3.29Å; F125-D188 WeakPolarHBondContact CA-O 3.41Å; F125-F189 AromaticContact CD1-CD1 3.67Å; F125-F189 HydrophobicContact CD1-CD1 3.67Å; F125-F189 AromaticContact CD1-CE1 3.85Å; F125-F189 HydrophobicContact CD1-CE1 3.85Å; F125-F189 AromaticContact CE1-CD1 3.73Å; F125-F189 HydrophobicContact CE1-CD1 3.73Å; F125-F189 AromaticContact CE1-CE1 3.53Å; F125-F189 HydrophobicContact CE1-CE1 3.53Å
126	W	94.8	Very high	95.7	Very high	13 Å²	13	22.9 Å²	22.9	5%	0.049	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	113	162.7	-173.6	83.9	0	0	0	107.9	G129 E130 W131 V187 D188 L483	W126-G129 VanDerWaalsContact CZ2-CA 3.44Å; W126-E130 CarbonylContact C-O 3.55Å; W126-E130 WeakPolarHBondContact CA-O 3.38Å; W126-W131 HydrophobicContact CB-CD2 4.19Å; W126-W131 HydrophobicContact CB-CE3 4.26Å; W126-W131 HydrophobicContact CB-CH2 4.02Å; W126-W131 HydrophobicContact CB-CZ2 3.89Å; W126-W131 HydrophobicContact CB-CZ3 4.2Å; W126-W131 AromaticContact CD1-CE2 3.9Å; W126-W131 AromaticContact CD1-NE1 3.65Å; W126-W131 HydrophobicContact CG-CZ2 4.46Å; W126-V187 HydrophobicContact CE3-CG1 3.54Å; W126-V187 HydrophobicContact CH2-CG1 4.33Å; W126-V187 HydrophobicContact CZ3-CG1 3.39Å; W126-D188 PolarHBondContact N-O 3.22Å; W126-D188 WeakPolarHBondContact O-CA 3.49Å; W126-L483 HydrophobicContact CH2-CD2 3.51Å; W126-L483 HydrophobicContact CZ2-CD2 3.78Å
127	H	92.1	Very high	96.2	Very high	44 Å²	44	17.6 Å²	17.6	20%	0.204	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	112.5	-178.2	-169.6	70	0	0	0	109	F125 G129 E130 L170	F125-H127 PolarHBondContact O-N 2.86Å; H127-G129 VanDerWaalsContact C-N 3.33Å; H127-G129 PolarHBondContact O-N 2.97Å; H127-E130 PolarHBondContact N-O 3.13Å; H127-E130 PolarHBondContact O-N 2.85Å; H127-L170 HydrophobicContact CB-CD2 4.24Å
128	F	91.8	Very high	96.3	Very high	25 Å²	25	15.7 Å²	15.7	11%	0.11	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	46.8	173.9	-158.2	-118.4	0	0	0	114	L357 Q403 Q404 K405 E481 L483	F128-L357 HydrophobicContact CD1-CD1 4.05Å; F128-L357 HydrophobicContact CE1-CD1 3.43Å; F128-L357 VanDerWaalsContact CE1-CD1 3.43Å; F128-L357 HydrophobicContact CZ-CD1 4Å; F128-Q403 HydrophobicContact CD2-CG 4.08Å; F128-Q403 HydrophobicContact CE2-CG 4.17Å; F128-Q404 VanDerWaalsContact CE2-C 3.4Å; F128-K405 HydrophobicContact CD1-CB 4.45Å; F128-K405 HydrophobicContact CD1-CG 4.31Å; F128-K405 HydrophobicContact CE1-CB 3.8Å; F128-K405 HydrophobicContact CE1-CD 4.19Å; F128-K405 HydrophobicContact CE1-CG 4.05Å; F128-K405 HydrophobicContact CE2-CB 4.09Å; F128-K405 VanDerWaalsContact CE2-N 3.31Å; F128-K405 HydrophobicContact CZ-CB 3.61Å; F128-K405 HydrophobicContact CZ-CG 4.33Å; F128-E481 HydrophobicContact CE1-CB 4.19Å; F128-E481 HydrophobicContact CZ-CB 4.29Å; F128-L483 HydrophobicContact CD2-CB 4.12Å; F128-L483 HydrophobicContact CE2-CB 3.78Å; F128-L483 HydrophobicContact CZ-CB 4.16Å
129	G	91.1	Very high	96.4	Very high	26 Å²	26	16.7 Å²	16.7	27%	0.268	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.8	-15.7	176.4	0	0	0	0	0	115.2	W126 H127	W126-G129 VanDerWaalsContact CZ2-CA 3.44Å; H127-G129 VanDerWaalsContact C-N 3.33Å; H127-G129 PolarHBondContact O-N 2.97Å
130	E	91.8	Very high	96.5	Very high	84 Å²	84	16.8 Å²	16.8	39%	0.393	8%	0.081	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.5	-172.4	-57.7	-174.9	139.4	0	0	112	K6 W126 H127	K6-E130 WeakPolarHBondContact CD-OE2 3.3Å; K6-E130 IonicContact NZ-OE2 3.58Å; K6-E130 PolarHBondContact NZ-OE2 2.59Å; W126-E130 CarbonylContact C-O 3.55Å; W126-E130 WeakPolarHBondContact CA-O 3.38Å; H127-E130 PolarHBondContact N-O 3.13Å; H127-E130 PolarHBondContact O-N 2.85Å
131	W	94.7	Very high	96.4	Very high	33 Å²	33	16.7 Å²	16.7	13%	0.125	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	126.4	168.5	-75.7	92.5	0	0	0	109.7	L5 K6 K99 R124 F125 W126 F189 T190	L5-W131 HydrophobicContact CD1-CB 3.93Å; K6-W131 WeakPolarHBondContact CB-O 3.23Å; K6-W131 PolarHBondContact N-O 2.92Å; K99-W131 HydrophobicContact CD-CH2 3.67Å; K99-W131 HydrophobicContact CD-CZ2 3.61Å; K99-W131 HydrophobicContact CD-CZ3 4.26Å; K99-W131 HydrophobicContact CG-CH2 4.04Å; K99-W131 HydrophobicContact CG-CZ2 4.39Å; K99-W131 HydrophobicContact CG-CZ3 4.18Å; K99-W131 VanDerWaalsContact NZ-NE1 3.2Å; R124-W131 HydrophobicContact CB-CE3 4.1Å; R124-W131 HydrophobicContact CB-CZ3 4.4Å; F125-W131 CarbonylContact O-C 3.58Å; F125-W131 WeakPolarHBondContact O-CA 3.5Å; W126-W131 HydrophobicContact CB-CD2 4.19Å; W126-W131 HydrophobicContact CB-CE3 4.26Å; W126-W131 HydrophobicContact CB-CH2 4.02Å; W126-W131 HydrophobicContact CB-CZ2 3.89Å; W126-W131 HydrophobicContact CB-CZ3 4.2Å; W126-W131 AromaticContact CD1-CE2 3.9Å; W126-W131 AromaticContact CD1-NE1 3.65Å; W126-W131 HydrophobicContact CG-CZ2 4.46Å; W131-F189 WeakPolarHBondContact CH2-O 3.27Å; W131-T190 WeakPolarHBondContact CZ2-O 3.49Å
132	T	96.6	Very high	96.3	Very high	5 Å²	5	16.7 Å²	16.7	3%	0.031	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123	-178.6	-57.3	0	0	0	0	110	K6 F8 R124 F125 V134 L170	K6-T132 HydrophobicContact CG-CG2 4.5Å; K6-T132 CarbonylContact O-C 3.58Å; K6-T132 VanDerWaalsContact O-CA 3.3Å; K6-T132 WeakPolarHBondContact O-CA 3.37Å; F8-T132 HydrophobicContact CB-CG2 3.88Å; F8-T132 HydrophobicContact CD2-CG2 4.41Å; R124-T132 WeakPolarHBondContact CA-O 3.46Å; F125-T132 PolarHBondContact N-O 3.44Å; F125-T132 PolarHBondContact O-N 3.15Å; T132-V134 HydrophobicContact CG2-CG2 4.41Å; T132-L170 HydrophobicContact CG2-CD1 4.2Å
133	E	98	Very high	96	Very high	12 Å²	12	17.1 Å²	17.1	6%	0.056	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	127	172.4	-169.2	167.2	102.2	0	0	110.2	L5 K6 L7 F8 R122 F123 R124	L5-E133 HydrophobicContact CD1-CB 4.15Å; L5-E133 HydrophobicContact CD2-CB 4Å; L5-E133 WeakPolarHBondContact CD2-OE2 3.39Å; L5-E133 HydrophobicContact CG-CB 4.1Å; K6-E133 PolarHBondContact O-N 2.91Å; L7-E133 HydrophobicContact CD2-CB 4.1Å; F8-E133 VanDerWaalsContact CB-O 3.28Å; F8-E133 WeakPolarHBondContact CB-O 3.14Å; F8-E133 PolarHBondContact N-O 3.05Å; R122-E133 HydrophobicContact CB-CG 4.21Å; F123-E133 CarbonylContact O-C 3.47Å; F123-E133 VanDerWaalsContact O-CA 3.31Å; F123-E133 WeakPolarHBondContact O-CA 3.3Å; R124-E133 HydrophobicContact CG-CB 4.22Å; R124-E133 HydrophobicContact CG-CG 4.23Å; R124-E133 IonicContact CZ-OE2 3.86Å; R124-E133 IonicContact NE-OE2 3.06Å; R124-E133 PolarHBondContact NE-OE2 2.88Å; R124-E133 IonicContact NH2-OE2 2.9Å; R124-E133 PolarHBondContact NH2-OE2 3.27Å
134	V	98.6	Very high	95.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.5	179.9	-177.3	0	0	0	0	108.1	F8 R122 F123 F125 T132 I136 A166 K169 L170	F8-V134 HydrophobicContact CB-CB 4.47Å; F8-V134 HydrophobicContact CB-CG2 3.91Å; F8-V134 HydrophobicContact CD1-CG1 4.3Å; F8-V134 HydrophobicContact CG-CG2 4.19Å; R122-V134 VanDerWaalsContact CA-O 3.31Å; R122-V134 WeakPolarHBondContact CA-O 3.49Å; F123-V134 PolarHBondContact N-O 2.81Å; F123-V134 PolarHBondContact O-N 2.9Å; F125-V134 HydrophobicContact CD2-CB 4.32Å; F125-V134 HydrophobicContact CD2-CG2 3.73Å; F125-V134 HydrophobicContact CE2-CB 4.12Å; F125-V134 HydrophobicContact CE2-CG2 3.98Å; T132-V134 HydrophobicContact CG2-CG2 4.41Å; V134-I136 HydrophobicContact CG1-CG2 4.29Å; V134-A166 HydrophobicContact CG1-CB 4.27Å; V134-K169 HydrophobicContact CG1-CB 4.43Å; V134-K169 HydrophobicContact CG1-CD 3.79Å; V134-K169 HydrophobicContact CG1-CG 4.15Å; V134-L170 HydrophobicContact CG2-CB 4.2Å; V134-L170 HydrophobicContact CG2-CD1 4.05Å
135	V	98.6	Very high	95.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	140.7	174	-179.3	0	0	0	0	108.5	Q11 Y13 L16 F27 I120 F121 R122 K169	Q11-V135 HydrophobicContact CB-CB 4.23Å; Q11-V135 HydrophobicContact CB-CG2 4.12Å; Y13-V135 HydrophobicContact CD2-CG1 4.49Å; L16-V135 HydrophobicContact CD1-CG1 4.29Å; F27-V135 HydrophobicContact CE1-CG1 4.05Å; F27-V135 HydrophobicContact CZ-CG1 4.37Å; I120-V135 HydrophobicContact CD1-CG1 3.69Å; I120-V135 HydrophobicContact CG1-CG1 3.65Å; F121-V135 CarbonylContact O-C 3.48Å; F121-V135 VanDerWaalsContact O-CA 3.3Å; F121-V135 WeakPolarHBondContact O-CA 3.25Å; R122-V135 HydrophobicContact CB-CG2 4.49Å; V135-K169 PolarHBondContact O-NZ 2.77Å
136	I	98.7	Very high	95	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	158.6	172.7	58.5	164.7	0	0	0	110.4	I120 F121 F123 V134 L162 K165 A166 K169	I120-I136 WeakPolarHBondContact CA-O 3.35Å; F121-I136 HydrophobicContact CB-CG1 4.12Å; F121-I136 PolarHBondContact N-O 2.91Å; F121-I136 PolarHBondContact O-N 2.88Å; F123-I136 HydrophobicContact CD2-CD1 4.28Å; F123-I136 HydrophobicContact CD2-CG1 4.28Å; F123-I136 HydrophobicContact CE2-CD1 3.78Å; F123-I136 HydrophobicContact CE2-CG1 4Å; V134-I136 HydrophobicContact CG1-CG2 4.29Å; I136-L162 HydrophobicContact CD1-CB 4.14Å; I136-L162 HydrophobicContact CD1-CD2 3.99Å; I136-L162 WeakPolarHBondContact CD1-O 3.17Å; I136-K165 HydrophobicContact CD1-CB 4.06Å; I136-K165 HydrophobicContact CD1-CD 4.06Å; I136-K165 HydrophobicContact CD1-CG 4.17Å; I136-A166 HydrophobicContact CD1-CB 4.12Å; I136-A166 HydrophobicContact CG1-CB 4.45Å; I136-A166 HydrophobicContact CG2-CB 3.93Å; I136-K169 HydrophobicContact CG2-CB 4.48Å; I136-K169 HydrophobicContact CG2-CD 3.74Å
137	D	98.5	Very high	94.9	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	170.8	155.5	68.9	50.4	0	0	0	111.4	F27 D29 G119 L139 K165	F27-D137 HydrophobicContact CD1-CB 3.73Å; F27-D137 HydrophobicContact CE1-CB 4.39Å; F27-D137 WeakPolarHBondContact O-CB 2.92Å; D29-D137 HydrophobicContact CB-CB 4.44Å; D29-D137 WeakPolarHBondContact CB-OD2 3.34Å; D29-D137 PolarHBondContact N-OD2 3.3Å; G119-D137 WeakPolarHBondContact O-CA 3.48Å; G119-D137 WeakPolarHBondContact O-CB 3.36Å; D137-L139 VanDerWaalsContact OD1-CB 3.28Å; D137-L139 WeakPolarHBondContact OD1-CB 3.48Å; D137-L139 PolarHBondContact OD1-N 3.01Å; D137-K165 PolarHBondContact O-NZ 3.49Å; D137-K165 IonicContact OD1-NZ 2.6Å; D137-K165 PolarHBondContact OD1-NZ 3.32Å
138	D	97.8	Very high	94.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.143	C	C	.	.			trans	-96.2	17.3	179.6	63.8	6.1	0	0	0	115.6	R53 P54 W109 Y117 G119 F121 L140 L162	R53-D138 VanDerWaalsContact CD-OD1 3.26Å; R53-D138 WeakPolarHBondContact CD-OD1 3.42Å; R53-D138 WeakPolarHBondContact CG-OD1 3.44Å; R53-D138 IonicContact CZ-OD1 2.83Å; R53-D138 IonicContact NE-OD1 3.37Å; R53-D138 IonicContact NH1-OD1 3.44Å; R53-D138 PolarHBondContact NH1-OD1 2.75Å; P54-D138 WeakPolarHBondContact CD-O 3.3Å; P54-D138 HydrophobicContact CG-CB 4.4Å; W109-D138 HydrophobicContact CZ2-CB 4.41Å; Y117-D138 WeakPolarHBondContact CE2-OD2 3.38Å; Y117-D138 PolarHBondContact OH-OD2 2.82Å; G119-D138 PolarHBondContact O-N 3.39Å; F121-D138 HydrophobicContact CD2-CB 3.89Å; F121-D138 HydrophobicContact CE2-CB 3.6Å; D138-L140 PolarHBondContact O-N 2.76Å; D138-L162 HydrophobicContact CB-CD2 3.81Å
139	L	98.1	Very high	94.9	Very high	23 Å²	23	25.3 Å²	25.3	12%	0.12	14%	0.141	C	C	.	.			trans	-67.1	120.6	170.4	-70	163.6	0	0	0	110.2	P34 W51 R53 D137 K165	P34-L139 HydrophobicContact CB-CD1 4.16Å; P34-L139 HydrophobicContact CG-CD1 4.08Å; W51-L139 HydrophobicContact CB-CB 4.3Å; W51-L139 HydrophobicContact CB-CD2 4.47Å; W51-L139 HydrophobicContact CE3-CB 4.13Å; W51-L139 VanDerWaalsContact CE3-O 3.29Å; W51-L139 WeakPolarHBondContact CZ3-O 3.49Å; R53-L139 HydrophobicContact CG-CD2 3.61Å; R53-L139 HydrophobicContact CG-CG 4.16Å; D137-L139 VanDerWaalsContact OD1-CB 3.28Å; D137-L139 WeakPolarHBondContact OD1-CB 3.48Å; D137-L139 PolarHBondContact OD1-N 3.01Å; L139-K165 WeakPolarHBondContact O-CD 3.42Å; L139-K165 WeakPolarHBondContact O-CE 3.4Å; L139-K165 PolarHBondContact O-NZ 2.82Å
140	L	97.8	Very high	94.8	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.9	179.1	-67.9	170.1	0	0	0	110.7	W51 K52 P54 D138 L147 F158 A161 L162 K165	W51-L140 CarbonylContact C-O 3.55Å; W51-L140 WeakPolarHBondContact CA-O 3.46Å; K52-L140 PolarHBondContact N-O 2.95Å; K52-L140 PolarHBondContact O-N 3.07Å; P54-L140 HydrophobicContact CG-CD1 4.28Å; D138-L140 PolarHBondContact O-N 2.76Å; L140-L147 HydrophobicContact CB-CD2 3.57Å; L140-L147 HydrophobicContact CD1-CD2 3.81Å; L140-L147 HydrophobicContact CG-CD2 4.27Å; L140-F158 HydrophobicContact CD1-CD1 3.79Å; L140-F158 HydrophobicContact CD1-CE1 4.39Å; L140-A161 HydrophobicContact CD1-CB 3.81Å; L140-A161 HydrophobicContact CD2-CB 4Å; L140-L162 HydrophobicContact CD1-CD2 4.48Å; L140-L162 HydrophobicContact CD2-CD2 4.14Å; L140-L162 HydrophobicContact CG-CD2 4.37Å; L140-K165 HydrophobicContact CD2-CB 4.46Å; L140-K165 HydrophobicContact CD2-CD 4.29Å
141	P	96.3	Very high	94.7	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.019	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	130.8	179.2	30.1	-34.3	0	0	0	110.9	L39 V49 W51 V148 F149 Y174	L39-P141 HydrophobicContact CD2-CB 3.85Å; L39-P141 HydrophobicContact CD2-CG 4.05Å; V49-P141 HydrophobicContact CG1-CB 3.66Å; W51-P141 HydrophobicContact CD2-CB 4.27Å; W51-P141 HydrophobicContact CE3-CB 4.36Å; W51-P141 HydrophobicContact CZ2-CB 4.42Å; W51-P141 HydrophobicContact CZ3-CB 4.47Å; W51-P141 HydrophobicContact CZ3-CG 4.38Å; P141-V148 HydrophobicContact CB-CG2 4.05Å; P141-V148 HydrophobicContact CG-CG2 4.09Å; P141-V148 PolarHBondContact O-N 3.23Å; P141-F149 HydrophobicContact CB-CE2 4.33Å; P141-F149 HydrophobicContact CG-CD2 3.48Å; P141-F149 VanDerWaalsContact CG-CD2 3.48Å; P141-F149 HydrophobicContact CG-CE2 3.53Å; P141-Y174 HydrophobicContact CG-CE2 4.28Å
142	T	95.2	Very high	94.4	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	152.2	179.3	69.4	0	0	0	0	111.8	V49 V50 K52 I57 D146 L147	V49-T142 CarbonylContact C-O 3.53Å; V49-T142 WeakPolarHBondContact CA-O 3.24Å; V50-T142 PolarHBondContact N-O 3.16Å; V50-T142 WeakPolarHBondContact O-CA 3.15Å; V50-T142 WeakPolarHBondContact O-CB 3.1Å; V50-T142 PolarHBondContact O-N 3.23Å; V50-T142 PolarHBondContact O-OG1 3.44Å; K52-T142 HydrophobicContact CB-CG2 4.13Å; K52-T142 HydrophobicContact CD-CG2 4.4Å; K52-T142 HydrophobicContact CG-CG2 4.45Å; I57-T142 HydrophobicContact CD1-CG2 4.03Å; T142-D146 CarbonylContact C-O 3.57Å; T142-D146 WeakPolarHBondContact CA-O 3.01Å; T142-D146 VanDerWaalsContact CB-O 3.31Å; T142-D146 WeakPolarHBondContact CB-O 3.49Å; T142-L147 HydrophobicContact CG2-CD2 4.24Å
143	I	93.3	Very high	93.8	Very high	20 Å²	20	24.2 Å²	24.2	10%	0.103	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.9	166.3	-71.5	170.9	0	0	0	106.8	P46 V49 G145 D146 V148	P46-I143 HydrophobicContact CG-CD1 3.86Å; V49-I143 HydrophobicContact CG2-CD1 4.07Å; V49-I143 HydrophobicContact CG2-CG1 3.94Å; I143-G145 PolarHBondContact O-N 2.85Å; I143-G145 VanDerWaalsContact O-N 3.16Å; I143-D146 PolarHBondContact N-O 2.82Å; I143-D146 PolarHBondContact O-N 2.84Å; I143-D146 VanDerWaalsContact O-N 3.08Å; I143-V148 HydrophobicContact CB-CG1 3.71Å; I143-V148 HydrophobicContact CD1-CG1 3.73Å; I143-V148 HydrophobicContact CG1-CG1 3.61Å
144	N	90.8	Very high	93.3	Very high	150 Å²	150	24.9 Å²	24.9	80%	0.802	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	24.7	-175.2	-55.1	-29.3	0	0	0	114.3
145	G	88.8	Confident	92.7	Very high	23 Å²	23	31.7 Å²	31.7	24%	0.237	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	-14.4	-177.8	0	0	0	0	0	114.7	I143	I143-G145 PolarHBondContact O-N 2.85Å; I143-G145 VanDerWaalsContact O-N 3.16Å
146	D	90.8	Very high	92.4	Very high	99 Å²	99	33.9 Å²	33.9	53%	0.529	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	140.1	179.7	-60	-36.2	0	0	0	111.5	T142 I143 V148	T142-D146 CarbonylContact C-O 3.57Å; T142-D146 WeakPolarHBondContact CA-O 3.01Å; T142-D146 VanDerWaalsContact CB-O 3.31Å; T142-D146 WeakPolarHBondContact CB-O 3.49Å; I143-D146 PolarHBondContact N-O 2.82Å; I143-D146 PolarHBondContact O-N 2.84Å; I143-D146 VanDerWaalsContact O-N 3.08Å; D146-V148 PolarHBondContact O-N 3.25Å
147	L	93.1	Very high	92.1	Very high	32 Å²	32	34.2 Å²	34.2	17%	0.168	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	133.8	170.7	-70.1	172.8	0	0	0	110.5	I57 L140 T142 F151 F158 A161	I57-L147 HydrophobicContact CD1-CD2 4.09Å; L140-L147 HydrophobicContact CB-CD2 3.57Å; L140-L147 HydrophobicContact CD1-CD2 3.81Å; L140-L147 HydrophobicContact CG-CD2 4.27Å; T142-L147 HydrophobicContact CG2-CD2 4.24Å; L147-F151 HydrophobicContact CB-CB 4.08Å; L147-F151 HydrophobicContact CD1-CB 3.64Å; L147-F158 HydrophobicContact CD1-CD1 4.41Å; L147-F158 HydrophobicContact CD1-CE1 4.19Å; L147-A161 HydrophobicContact CD1-CB 4.39Å
148	V	92.3	Very high	92	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.024	19%	0.188	C	C	.	.	S	Bend	trans	-98.4	-17.6	-175.7	-59.6	0	0	0	0	114.3	G76 R77 L78 P141 I143 D146	G76-V148 CarbonylContact C-O 3.57Å; G76-V148 WeakPolarHBondContact CA-O 3.39Å; R77-V148 PolarHBondContact N-O 2.82Å; R77-V148 VanDerWaalsContact N-O 3.11Å; L78-V148 WeakPolarHBondContact CA-O 3.41Å; L78-V148 HydrophobicContact CB-CB 4.43Å; L78-V148 WeakPolarHBondContact CB-O 3.41Å; L78-V148 HydrophobicContact CD1-CB 4.12Å; L78-V148 HydrophobicContact CD1-CG2 4.03Å; L78-V148 HydrophobicContact CG-CB 4.37Å; L78-V148 PolarHBondContact N-O 2.99Å; P141-V148 HydrophobicContact CB-CG2 4.05Å; P141-V148 HydrophobicContact CG-CG2 4.09Å; P141-V148 PolarHBondContact O-N 3.23Å; I143-V148 HydrophobicContact CB-CG1 3.71Å; I143-V148 HydrophobicContact CD1-CG1 3.73Å; I143-V148 HydrophobicContact CG1-CG1 3.61Å; D146-V148 PolarHBondContact O-N 3.25Å
149	F	92.6	Very high	91.8	Very high	14 Å²	14	34.3 Å²	34.3	6%	0.061	19%	0.188	C	C	.	.	S	Bend	trans	-104.1	-156.2	172.9	-62.5	-77.3	0	0	0	110.6	L39 F40 G76 L78 P141 F151 E164 Y174	L39-F149 HydrophobicContact CD2-CE2 3.86Å; L39-F149 HydrophobicContact CD2-CZ 4.27Å; F40-F149 HydrophobicContact CE2-CZ 4.46Å; F40-F149 HydrophobicContact CZ-CE1 4.42Å; F40-F149 HydrophobicContact CZ-CZ 4.13Å; G76-F149 WeakPolarHBondContact CA-O 3.48Å; G76-F149 PolarHBondContact N-O 3.11Å; L78-F149 HydrophobicContact CB-CD1 4.1Å; L78-F149 HydrophobicContact CB-CE1 3.76Å; L78-F149 HydrophobicContact CB-CZ 4.18Å; L78-F149 WeakPolarHBondContact O-CD1 3.47Å; L78-F149 VanDerWaalsContact O-CE1 3.3Å; L78-F149 WeakPolarHBondContact O-CE1 3.3Å; P141-F149 HydrophobicContact CB-CE2 4.33Å; P141-F149 HydrophobicContact CG-CD2 3.48Å; P141-F149 VanDerWaalsContact CG-CD2 3.48Å; P141-F149 HydrophobicContact CG-CE2 3.53Å; F149-F151 WeakPolarHBondContact O-CD1 3.35Å; F149-E164 WeakPolarHBondContact CB-OE2 3.43Å; F149-Y174 HydrophobicContact CB-CD1 4.47Å; F149-Y174 HydrophobicContact CB-CE1 4.11Å; F149-Y174 AromaticContact CD1-CD1 3.6Å; F149-Y174 HydrophobicContact CD1-CD1 3.6Å; F149-Y174 HydrophobicContact CD1-CE1 4.08Å; F149-Y174 HydrophobicContact CD1-CG 4.38Å; F149-Y174 AromaticContact CD2-CD1 3.48Å; F149-Y174 HydrophobicContact CD2-CD1 3.48Å; F149-Y174 VanDerWaalsContact CD2-CD1 3.48Å; F149-Y174 AromaticContact CD2-CE1 3.33Å; F149-Y174 HydrophobicContact CD2-CE1 3.33Å; F149-Y174 HydrophobicContact CD2-CE2 4.41Å; F149-Y174 HydrophobicContact CD2-CG 4.09Å; F149-Y174 AromaticContact CD2-CZ 3.83Å; F149-Y174 AromaticContact CE1-CD1 3.55Å; F149-Y174 HydrophobicContact CE1-CD1 3.55Å; F149-Y174 HydrophobicContact CE1-CE1 4.37Å; F149-Y174 AromaticContact CE1-CG 3.88Å; F149-Y174 HydrophobicContact CE1-CG 3.88Å; F149-Y174 AromaticContact CE2-CD1 3.43Å; F149-Y174 HydrophobicContact CE2-CD1 3.43Å; F149-Y174 VanDerWaalsContact CE2-CD1 3.43Å; F149-Y174 AromaticContact CE2-CD2 3.91Å; F149-Y174 HydrophobicContact CE2-CD2 3.91Å; F149-Y174 AromaticContact CE2-CE1 3.68Å; F149-Y174 HydrophobicContact CE2-CE1 3.68Å; F149-Y174 HydrophobicContact CE2-CE2 4.13Å; F149-Y174 AromaticContact CE2-CG 3.54Å; F149-Y174 HydrophobicContact CE2-CG 3.54Å; F149-Y174 AromaticContact CG-CD1 3.59Å; F149-Y174 HydrophobicContact CG-CD1 3.59Å; F149-Y174 AromaticContact CG-CE1 3.58Å; F149-Y174 HydrophobicContact CG-CE1 3.58Å; F149-Y174 HydrophobicContact CG-CG 4.5Å; F149-Y174 VanDerWaalsContact CZ-CB 3.42Å; F149-Y174 AromaticContact CZ-CD1 3.47Å; F149-Y174 HydrophobicContact CZ-CD1 3.47Å; F149-Y174 VanDerWaalsContact CZ-CD1 3.47Å; F149-Y174 HydrophobicContact CZ-CD2 4.15Å; F149-Y174 HydrophobicContact CZ-CE1 4.19Å; F149-Y174 AromaticContact CZ-CG 3.42Å; F149-Y174 HydrophobicContact CZ-CG 3.42Å; F149-Y174 VanDerWaalsContact CZ-CG 3.42Å
150	S	89.5	Confident	91.6	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.014	18%	0.182	C	C	.	.			trans	-62	139.1	-177	-47.6	0	0	0	0	111.5	T74 A161 E164	T74-S150 WeakPolarHBondContact O-CA 3.41Å; S150-A161 WeakPolarHBondContact O-CB 3.38Å; S150-E164 WeakPolarHBondContact CA-OE2 3.21Å; S150-E164 WeakPolarHBondContact CB-OE2 3.3Å; S150-E164 PolarHBondContact N-OE2 3.13Å; S150-E164 VanDerWaalsContact OG-CD 3.31Å; S150-E164 PolarHBondContact OG-OE1 3.27Å; S150-E164 PolarHBondContact OG-OE2 2.79Å
151	F	89.6	Confident	91.5	Very high	49 Å²	49	33.3 Å²	33.3	22%	0.215	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	157.9	179.1	66.6	-83.2	0	0	0	111.1	T74 L147 F149 N160	T74-F151 HydrophobicContact CG2-CE1 3.62Å; T74-F151 HydrophobicContact CG2-CE2 4.09Å; T74-F151 HydrophobicContact CG2-CZ 3.35Å; T74-F151 PolarHBondContact N-O 2.86Å; T74-F151 PolarHBondContact O-N 2.88Å; L147-F151 HydrophobicContact CB-CB 4.08Å; L147-F151 HydrophobicContact CD1-CB 3.64Å; F149-F151 WeakPolarHBondContact O-CD1 3.35Å; F151-N160 WeakPolarHBondContact CA-ND2 3.22Å; F151-N160 PolarHBondContact O-ND2 3.45Å
152	S	87.9	Confident	91.5	Very high	4 Å²	4	33.2 Å²	33.2	3%	0.028	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	143.1	174	-171.8	0	0	0	0	110.2	Q72 S154 E157 N160	Q72-S152 CarbonylContact O-C 3.49Å; Q72-S152 WeakPolarHBondContact O-CA 3.42Å; S152-S154 WeakPolarHBondContact CB-O 3.31Å; S152-S154 PolarHBondContact O-N 2.86Å; S152-S154 PolarHBondContact OG-N 2.87Å; S152-E157 PolarHBondContact OG-OE2 2.87Å; S152-N160 PolarHBondContact N-ND2 3.44Å
153	T	84	Confident	91.7	Very high	70 Å²	70	33.1 Å²	33.1	43%	0.429	18%	0.182	S	C	.	.	S	Bend	trans	-70.8	-18.8	169.7	66.4	0	0	0	0	111.3	Q72 T74 M155	Q72-T153 WeakPolarHBondContact CA-OG1 3.34Å; Q72-T153 WeakPolarHBondContact CB-OG1 3.36Å; Q72-T153 VanDerWaalsContact CG-OG1 3.23Å; Q72-T153 WeakPolarHBondContact CG-OG1 3.38Å; Q72-T153 PolarHBondContact O-N 3.1Å; T74-T153 WeakPolarHBondContact OG1-CG2 3.35Å; T153-M155 PolarHBondContact O-N 3.13Å
154	S	86.4	Confident	91.8	Very high	25 Å²	25	32.2 Å²	32.2	18%	0.175	18%	0.177	C	C	.	.	S	Bend	trans	-73.8	99.7	159.2	-75.3	0	0	0	0	108.3	Q72 S152 N156 E157	Q72-S154 VanDerWaalsContact CD-OG 3.23Å; Q72-S154 PolarHBondContact NE2-OG 2.93Å; Q72-S154 PolarHBondContact OE1-OG 2.81Å; S152-S154 WeakPolarHBondContact CB-O 3.31Å; S152-S154 PolarHBondContact O-N 2.86Å; S152-S154 PolarHBondContact OG-N 2.87Å; S154-N156 PolarHBondContact O-N 2.83Å; S154-E157 PolarHBondContact O-N 3.28Å
155	M	86.1	Confident	92.2	Very high	143 Å²	143	25.1 Å²	25.1	70%	0.704	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-13.6	-171.3	-67.4	-63.9	-174.9	0	0	114.9	T153	T153-M155 PolarHBondContact O-N 3.13Å
156	N	92.2	Very high	92.6	Very high	47 Å²	47	24 Å²	24	25%	0.251	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	5	177.9	75.7	-37.2	0	0	0	114.1	D60 R62 S154 F158	D60-N156 WeakPolarHBondContact O-CB 3.38Å; D60-N156 PolarHBondContact O-ND2 3.48Å; R62-N156 WeakPolarHBondContact CA-O 3.49Å; R62-N156 WeakPolarHBondContact CB-O 3.46Å; R62-N156 PolarHBondContact N-O 3.31Å; S154-N156 PolarHBondContact O-N 2.83Å; N156-F158 WeakPolarHBondContact O-CD2 3.4Å; N156-F158 WeakPolarHBondContact O-CE2 3.46Å
157	E	93.5	Very high	92.9	Very high	6 Å²	6	19.3 Å²	19.3	3%	0.028	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-106.1	129.1	-179.9	-172.7	-179.9	-125	0	0	112.5	R62 V65 S152 S154 W159	R62-E157 WeakPolarHBondContact O-CA 3.27Å; V65-E157 HydrophobicContact CG2-CB 3.83Å; V65-E157 HydrophobicContact CG2-CG 4.22Å; V65-E157 PolarHBondContact N-OE1 3.22Å; S152-E157 PolarHBondContact OG-OE2 2.87Å; S154-E157 PolarHBondContact O-N 3.28Å; E157-W159 VanDerWaalsContact CD-CD1 3.42Å; E157-W159 PolarHBondContact OE2-NE1 2.94Å
158	F	95.3	Very high	93	Very high	3 Å²	3	17.8 Å²	17.8	1%	0.013	10%	0.095	C	C	.	.			trans	-126.5	2.1	-169.3	-66.1	-90	0	0	0	116.5	P54 I57 C58 P61 R62 W109 L140 L147 N156 N160 A161 L162	P54-F158 HydrophobicContact CB-CD1 4Å; P54-F158 HydrophobicContact CB-CD2 3.9Å; P54-F158 HydrophobicContact CB-CE1 3.89Å; P54-F158 HydrophobicContact CB-CE2 3.81Å; P54-F158 HydrophobicContact CB-CG 4Å; P54-F158 HydrophobicContact CB-CZ 3.8Å; P54-F158 HydrophobicContact CG-CB 4.47Å; P54-F158 HydrophobicContact CG-CD1 3.8Å; P54-F158 HydrophobicContact CG-CD2 4.33Å; P54-F158 HydrophobicContact CG-CE1 4.07Å; P54-F158 HydrophobicContact CG-CG 3.93Å; P54-F158 HydrophobicContact CG-CZ 4.48Å; I57-F158 HydrophobicContact CD1-CE1 4.4Å; I57-F158 HydrophobicContact CG2-CZ 4.49Å; C58-F158 WeakPolarHBondContact SG-CE2 3.43Å; P61-F158 HydrophobicContact CB-CD2 4.11Å; P61-F158 HydrophobicContact CB-CE2 3.84Å; R62-F158 PolarHBondContact O-N 2.8Å; W109-F158 HydrophobicContact CH2-CB 4.03Å; W109-F158 HydrophobicContact CH2-CG 4.45Å; W109-F158 HydrophobicContact CZ3-CB 4.2Å; W109-F158 HydrophobicContact CZ3-CD2 4.5Å; L140-F158 HydrophobicContact CD1-CD1 3.79Å; L140-F158 HydrophobicContact CD1-CE1 4.39Å; L147-F158 HydrophobicContact CD1-CD1 4.41Å; L147-F158 HydrophobicContact CD1-CE1 4.19Å; N156-F158 WeakPolarHBondContact O-CD2 3.4Å; N156-F158 WeakPolarHBondContact O-CE2 3.46Å; F158-N160 VanDerWaalsContact C-N 3.28Å; F158-N160 PolarHBondContact O-N 2.78Å; F158-A161 PolarHBondContact O-N 3.13Å; F158-L162 HydrophobicContact CB-CD1 4.33Å; F158-L162 HydrophobicContact CB-CG 4.49Å; F158-L162 WeakPolarHBondContact O-CB 3.25Å; F158-L162 WeakPolarHBondContact O-CG 3.49Å; F158-L162 PolarHBondContact O-N 3.17Å
159	W	94.8	Very high	93.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-56.8	-39.2	-177	67	-89.8	0	0	0	113.4	L63 I64 I68 L73 F87 I101 E157 L163	L63-W159 HydrophobicContact CD1-CB 4.14Å; L63-W159 HydrophobicContact CG-CB 4.44Å; L63-W159 WeakPolarHBondContact O-CB 3.33Å; L63-W159 PolarHBondContact O-N 3.46Å; I64-W159 HydrophobicContact CG1-CB 4.06Å; I64-W159 HydrophobicContact CG1-CG 4.28Å; I68-W159 HydrophobicContact CD1-CD2 4.02Å; I68-W159 HydrophobicContact CD1-CE3 4.12Å; I68-W159 HydrophobicContact CD1-CG 4.3Å; I68-W159 HydrophobicContact CG1-CD2 4.4Å; I68-W159 HydrophobicContact CG1-CG 4.49Å; I68-W159 HydrophobicContact CG2-CD2 4.39Å; I68-W159 HydrophobicContact CG2-CH2 3.81Å; I68-W159 HydrophobicContact CG2-CZ2 3.54Å; I68-W159 HydrophobicContact CG2-CZ3 4.36Å; L73-W159 HydrophobicContact CD2-CH2 4.15Å; L73-W159 HydrophobicContact CD2-CZ2 3.72Å; F87-W159 HydrophobicContact CB-CH2 3.87Å; F87-W159 HydrophobicContact CB-CZ3 4.31Å; F87-W159 HydrophobicContact CD1-CH2 4.4Å; F87-W159 AromaticContact CD1-CZ3 3.97Å; F87-W159 HydrophobicContact CD1-CZ3 3.97Å; F87-W159 HydrophobicContact CG-CH2 4.22Å; F87-W159 HydrophobicContact CG-CZ3 4.21Å; I101-W159 HydrophobicContact CD1-CB 4.33Å; I101-W159 HydrophobicContact CD1-CE3 4.05Å; E157-W159 VanDerWaalsContact CD-CD1 3.42Å; E157-W159 PolarHBondContact OE2-NE1 2.94Å; W159-L163 HydrophobicContact CE3-CD2 4.17Å; W159-L163 HydrophobicContact CZ3-CD2 4.03Å; W159-L163 WeakPolarHBondContact O-CB 3.17Å; W159-L163 PolarHBondContact O-N 2.95Å
160	N	93.3	Very high	93.3	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-71.6	-43.2	-176.8	59.9	-22	0	0	0	111.8	L73 F87 F151 S152 F158 L163 E164	L73-N160 HydrophobicContact CD2-CB 4.04Å; L73-N160 WeakPolarHBondContact CD2-ND2 3.21Å; F87-N160 HydrophobicContact CD2-CB 3.95Å; F87-N160 HydrophobicContact CE2-CB 3.88Å; F87-N160 HydrophobicContact CG-CB 4.48Å; F87-N160 HydrophobicContact CZ-CB 4.35Å; F87-N160 WeakPolarHBondContact CZ-O 3.49Å; F151-N160 WeakPolarHBondContact CA-ND2 3.22Å; F151-N160 PolarHBondContact O-ND2 3.45Å; S152-N160 PolarHBondContact N-ND2 3.44Å; F158-N160 VanDerWaalsContact C-N 3.28Å; F158-N160 PolarHBondContact O-N 2.78Å; N160-L163 PolarHBondContact O-N 2.8Å; N160-E164 WeakPolarHBondContact O-CB 3.31Å; N160-E164 PolarHBondContact O-N 2.99Å
161	A	95.6	Very high	93.4	Very high	4 Å²	4	18 Å²	18	3%	0.033	10%	0.096	C	C	.	.	H	α-helix	trans	-62.7	-43.2	176.1	0	0	0	0	0	111.6	L140 L147 S150 F158 K165	L140-A161 HydrophobicContact CD1-CB 3.81Å; L140-A161 HydrophobicContact CD2-CB 4Å; L147-A161 HydrophobicContact CD1-CB 4.39Å; S150-A161 WeakPolarHBondContact O-CB 3.38Å; F158-A161 PolarHBondContact O-N 3.13Å; A161-K165 PolarHBondContact O-N 2.87Å
162	L	97.6	Very high	93.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-70.5	-38.9	177.1	-69.3	175.6	0	0	0	112.4	L63 W109 F121 F123 I136 D138 L140 F158 K165 A166	L63-L162 HydrophobicContact CD1-CD1 3.78Å; W109-L162 HydrophobicContact CH2-CD1 3.79Å; W109-L162 HydrophobicContact CZ3-CD1 4.48Å; F121-L162 HydrophobicContact CD1-CD1 4.02Å; F121-L162 HydrophobicContact CD2-CD1 4.11Å; F121-L162 HydrophobicContact CE1-CD1 4.05Å; F121-L162 HydrophobicContact CE2-CD1 4.18Å; F121-L162 HydrophobicContact CG-CD1 4.06Å; F121-L162 HydrophobicContact CZ-CD1 4.15Å; F123-L162 HydrophobicContact CE2-CB 4Å; F123-L162 HydrophobicContact CZ-CB 3.64Å; I136-L162 HydrophobicContact CD1-CB 4.14Å; I136-L162 HydrophobicContact CD1-CD2 3.99Å; I136-L162 WeakPolarHBondContact CD1-O 3.17Å; D138-L162 HydrophobicContact CB-CD2 3.81Å; L140-L162 HydrophobicContact CD1-CD2 4.48Å; L140-L162 HydrophobicContact CD2-CD2 4.14Å; L140-L162 HydrophobicContact CG-CD2 4.37Å; F158-L162 HydrophobicContact CB-CD1 4.33Å; F158-L162 HydrophobicContact CB-CG 4.49Å; F158-L162 WeakPolarHBondContact O-CB 3.25Å; F158-L162 WeakPolarHBondContact O-CG 3.49Å; F158-L162 PolarHBondContact O-N 3.17Å; L162-K165 WeakPolarHBondContact O-CB 2.93Å; L162-K165 PolarHBondContact O-N 3.28Å; L162-A166 PolarHBondContact O-N 3.19Å
163	L	97.4	Very high	93.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.5	-42.2	175.4	-179.8	61.7	0	0	0	111.2	F87 L90 T100 F123 F125 W159 N160 A166 Y167 F189	F87-L163 HydrophobicContact CD1-CD2 3.95Å; F87-L163 HydrophobicContact CE1-CB 4.23Å; F87-L163 HydrophobicContact CE1-CD2 3.51Å; F87-L163 HydrophobicContact CE1-CG 3.83Å; F87-L163 HydrophobicContact CZ-CB 4.48Å; F87-L163 HydrophobicContact CZ-CG 4.48Å; L90-L163 HydrophobicContact CD2-CD2 3.87Å; T100-L163 HydrophobicContact CG2-CD1 3.59Å; T100-L163 HydrophobicContact CG2-CD2 4.23Å; F123-L163 HydrophobicContact CB-CD1 4.16Å; F123-L163 HydrophobicContact CD1-CB 4.21Å; F123-L163 HydrophobicContact CD1-CD1 3.5Å; F123-L163 HydrophobicContact CD1-CG 4.45Å; F123-L163 HydrophobicContact CE1-CB 4Å; F123-L163 HydrophobicContact CE1-CD1 4.16Å; F123-L163 HydrophobicContact CG-CD1 4.01Å; F125-L163 HydrophobicContact CE1-CD1 3.58Å; F125-L163 HydrophobicContact CZ-CD1 3.63Å; W159-L163 HydrophobicContact CE3-CD2 4.17Å; W159-L163 HydrophobicContact CZ3-CD2 4.03Å; W159-L163 WeakPolarHBondContact O-CB 3.17Å; W159-L163 PolarHBondContact O-N 2.95Å; N160-L163 PolarHBondContact O-N 2.8Å; L163-A166 PolarHBondContact O-N 2.61Å; L163-Y167 WeakPolarHBondContact O-CB 3.3Å; L163-Y167 PolarHBondContact O-N 2.86Å; L163-F189 HydrophobicContact CD2-CE2 4.35Å
164	E	97.1	Very high	94	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-60.4	-44.5	173.4	-172.4	165.3	-153.2	0	0	111.5	M83 F87 F149 S150 N160 A166 Y167 A168 Y174 L177	M83-E164 HydrophobicContact CE-CB 3.81Å; M83-E164 HydrophobicContact CE-CG 3.82Å; M83-E164 HydrophobicContact CG-CG 4.32Å; F87-E164 HydrophobicContact CE2-CB 4.43Å; F87-E164 HydrophobicContact CZ-CB 3.95Å; F149-E164 WeakPolarHBondContact CB-OE2 3.43Å; S150-E164 WeakPolarHBondContact CA-OE2 3.21Å; S150-E164 WeakPolarHBondContact CB-OE2 3.3Å; S150-E164 PolarHBondContact N-OE2 3.13Å; S150-E164 VanDerWaalsContact OG-CD 3.31Å; S150-E164 PolarHBondContact OG-OE1 3.27Å; S150-E164 PolarHBondContact OG-OE2 2.79Å; N160-E164 WeakPolarHBondContact O-CB 3.31Å; N160-E164 PolarHBondContact O-N 2.99Å; E164-A166 PolarHBondContact O-N 2.84Å; E164-Y167 PolarHBondContact O-N 3.03Å; E164-A168 WeakPolarHBondContact O-CB 3.27Å; E164-A168 PolarHBondContact O-N 3.16Å; E164-Y174 HydrophobicContact CG-CD1 4.37Å; E164-Y174 HydrophobicContact CG-CE1 3.96Å; E164-L177 HydrophobicContact CG-CD1 3.7Å
165	K	97.9	Very high	94.2	Very high	1 Å²	1	14.4 Å²	14.4	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-59.4	-46.6	175.2	-175.4	176	168.8	-170.4	0	112.4	F32 I136 D137 L139 L140 A161 L162 Y167 A168 K169 Y174	F32-K165 HydrophobicContact CD1-CG 4.41Å; F32-K165 HydrophobicContact CE1-CG 4.04Å; I136-K165 HydrophobicContact CD1-CB 4.06Å; I136-K165 HydrophobicContact CD1-CD 4.06Å; I136-K165 HydrophobicContact CD1-CG 4.17Å; D137-K165 PolarHBondContact O-NZ 3.49Å; D137-K165 IonicContact OD1-NZ 2.6Å; D137-K165 PolarHBondContact OD1-NZ 3.32Å; L139-K165 WeakPolarHBondContact O-CD 3.42Å; L139-K165 WeakPolarHBondContact O-CE 3.4Å; L139-K165 PolarHBondContact O-NZ 2.82Å; L140-K165 HydrophobicContact CD2-CB 4.46Å; L140-K165 HydrophobicContact CD2-CD 4.29Å; A161-K165 PolarHBondContact O-N 2.87Å; L162-K165 WeakPolarHBondContact O-CB 2.93Å; L162-K165 PolarHBondContact O-N 3.28Å; K165-Y167 VanDerWaalsContact C-N 3.27Å; K165-Y167 PolarHBondContact O-N 3.11Å; K165-A168 PolarHBondContact O-N 3.05Å; K165-K169 WeakPolarHBondContact O-CB 3.41Å; K165-K169 PolarHBondContact O-N 2.76Å; K165-Y174 WeakPolarHBondContact CA-OH 3.44Å; K165-Y174 VanDerWaalsContact CB-OH 3.24Å; K165-Y174 WeakPolarHBondContact CB-OH 3.12Å
166	A	98.2	Very high	94.2	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-63.6	-35.8	179.1	0	0	0	0	0	111.9	F123 F125 V134 I136 L162 L163 E164 L170	F123-A166 HydrophobicContact CB-CB 3.94Å; F123-A166 HydrophobicContact CD2-CB 3.39Å; F123-A166 HydrophobicContact CE2-CB 4.18Å; F123-A166 HydrophobicContact CG-CB 3.85Å; F125-A166 HydrophobicContact CE2-CB 3.85Å; F125-A166 HydrophobicContact CZ-CB 3.91Å; V134-A166 HydrophobicContact CG1-CB 4.27Å; I136-A166 HydrophobicContact CD1-CB 4.12Å; I136-A166 HydrophobicContact CG1-CB 4.45Å; I136-A166 HydrophobicContact CG2-CB 3.93Å; L162-A166 PolarHBondContact O-N 3.19Å; L163-A166 PolarHBondContact O-N 2.61Å; E164-A166 PolarHBondContact O-N 2.84Å; A166-L170 PolarHBondContact O-N 3Å
167	Y	96.8	Very high	94.1	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-72.4	-41.6	176	-168.4	-131.8	0	0	0	112.3	M83 F125 L163 E164 K165 K169 L170 L171 L177 L180 I185 D188 F189	M83-Y167 HydrophobicContact CE-CD1 3.88Å; M83-Y167 HydrophobicContact SD-CD1 4.14Å; F125-Y167 AromaticContact CD1-CD2 3.92Å; F125-Y167 HydrophobicContact CD1-CD2 3.92Å; F125-Y167 AromaticContact CE1-CD2 3.91Å; F125-Y167 HydrophobicContact CE1-CD2 3.91Å; F125-Y167 HydrophobicContact CE1-CG 4.2Å; F125-Y167 HydrophobicContact CG-CD2 4.33Å; F125-Y167 HydrophobicContact CZ-CD2 4.31Å; F125-Y167 HydrophobicContact CZ-CG 4.46Å; L163-Y167 WeakPolarHBondContact O-CB 3.3Å; L163-Y167 PolarHBondContact O-N 2.86Å; E164-Y167 PolarHBondContact O-N 3.03Å; K165-Y167 VanDerWaalsContact C-N 3.27Å; K165-Y167 PolarHBondContact O-N 3.11Å; Y167-K169 VanDerWaalsContact C-N 3.3Å; Y167-K169 PolarHBondContact O-N 2.82Å; Y167-L170 HydrophobicContact CD2-CD2 4.21Å; Y167-L170 HydrophobicContact CE2-CD2 4.38Å; Y167-L170 WeakPolarHBondContact O-CB 3.38Å; Y167-L170 PolarHBondContact O-N 3.04Å; Y167-L170 VanDerWaalsContact O-N 3.15Å; Y167-L171 HydrophobicContact CD1-CD1 4.3Å; Y167-L171 HydrophobicContact CD2-CD1 4.37Å; Y167-L171 HydrophobicContact CE1-CD1 3.84Å; Y167-L171 HydrophobicContact CE2-CD1 3.89Å; Y167-L171 HydrophobicContact CE2-CG 4.25Å; Y167-L171 PolarHBondContact O-N 2.9Å; Y167-L171 VanDerWaalsContact O-N 3.09Å; Y167-L177 HydrophobicContact CD1-CD2 3.45Å; Y167-L177 VanDerWaalsContact CD1-CD2 3.45Å; Y167-L177 HydrophobicContact CE1-CD2 3.86Å; Y167-L177 HydrophobicContact CG-CD2 4.21Å; Y167-L180 HydrophobicContact CE1-CD1 3.52Å; Y167-L180 WeakPolarHBondContact OH-CD1 3.35Å; Y167-I185 HydrophobicContact CE1-CG1 4.17Å; Y167-I185 HydrophobicContact CE1-CG2 4.25Å; Y167-D188 HydrophobicContact CE2-CB 3.83Å; Y167-D188 WeakPolarHBondContact CE2-OD2 3.41Å; Y167-D188 PolarHBondContact OH-OD2 3.04Å; Y167-F189 HydrophobicContact CD1-CE1 4.11Å; Y167-F189 HydrophobicContact CD1-CZ 4.36Å; Y167-F189 HydrophobicContact CD2-CE1 4.11Å; Y167-F189 HydrophobicContact CE1-CE1 4.37Å; Y167-F189 HydrophobicContact CE2-CE1 4.4Å; Y167-F189 AromaticContact CG-CE1 3.97Å; Y167-F189 HydrophobicContact CG-CE1 3.97Å
168	A	95.1	Very high	93.6	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-56.9	-44.4	171.2	0	0	0	0	0	111.2	F32 E164 K165 L170 L171 G172 C173 Y174 L177	F32-A168 HydrophobicContact CZ-CB 4.25Å; E164-A168 WeakPolarHBondContact O-CB 3.27Å; E164-A168 PolarHBondContact O-N 3.16Å; K165-A168 PolarHBondContact O-N 3.05Å; A168-L170 PolarHBondContact O-N 3.11Å; A168-L171 CarbonylContact O-C 3.5Å; A168-L171 PolarHBondContact O-N 3.28Å; A168-G172 CarbonylContact O-C 3.6Å; A168-G172 PolarHBondContact O-N 3.46Å; A168-C173 PolarHBondContact O-N 2.91Å; A168-Y174 HydrophobicContact CB-CD1 3.98Å; A168-Y174 HydrophobicContact CB-CD2 4Å; A168-Y174 HydrophobicContact CB-CE1 4.26Å; A168-Y174 HydrophobicContact CB-CE2 4.28Å; A168-Y174 HydrophobicContact CB-CG 3.86Å; A168-L177 HydrophobicContact CB-CD1 4.22Å; A168-L177 HydrophobicContact CB-CD2 4.46Å; A168-L177 HydrophobicContact CB-CG 4.35Å
169	K	96.1	Very high	92.8	Very high	4 Å²	4	10.2 Å²	10.2	2%	0.017	8%	0.076	C	C	.	.	H	α-helix	trans	-60	-43.8	174.3	173.7	177.4	176.3	-179	0	112.8	F8 D29 T31 F32 V134 V135 I136 K165 Y167 L171 G172	F8-K169 HydrophobicContact CD1-CG 4.43Å; F8-K169 HydrophobicContact CE1-CD 4.31Å; F8-K169 HydrophobicContact CE1-CG 3.83Å; D29-K169 VanDerWaalsContact CG-NZ 3.3Å; D29-K169 IonicContact OD1-NZ 3.13Å; D29-K169 PolarHBondContact OD1-NZ 2.8Å; D29-K169 WeakPolarHBondContact OD2-CD 3.4Å; D29-K169 WeakPolarHBondContact OD2-CE 3.39Å; D29-K169 IonicContact OD2-NZ 2.77Å; D29-K169 PolarHBondContact OD2-NZ 2.78Å; T31-K169 WeakPolarHBondContact OG1-CE 3.13Å; T31-K169 PolarHBondContact OG1-NZ 2.95Å; F32-K169 HydrophobicContact CB-CB 4.25Å; F32-K169 HydrophobicContact CB-CD 3.71Å; F32-K169 HydrophobicContact CB-CG 3.83Å; F32-K169 HydrophobicContact CD1-CB 4.2Å; F32-K169 HydrophobicContact CD2-CB 3.73Å; F32-K169 HydrophobicContact CD2-CG 3.91Å; F32-K169 HydrophobicContact CE1-CB 4.47Å; F32-K169 HydrophobicContact CE2-CB 4.05Å; F32-K169 HydrophobicContact CG-CB 3.8Å; F32-K169 HydrophobicContact CG-CD 4.19Å; F32-K169 HydrophobicContact CG-CG 3.91Å; F32-K169 HydrophobicContact CZ-CB 4.4Å; V134-K169 HydrophobicContact CG1-CB 4.43Å; V134-K169 HydrophobicContact CG1-CD 3.79Å; V134-K169 HydrophobicContact CG1-CG 4.15Å; V135-K169 PolarHBondContact O-NZ 2.77Å; I136-K169 HydrophobicContact CG2-CB 4.48Å; I136-K169 HydrophobicContact CG2-CD 3.74Å; K165-K169 WeakPolarHBondContact O-CB 3.41Å; K165-K169 PolarHBondContact O-N 2.76Å; Y167-K169 VanDerWaalsContact C-N 3.3Å; Y167-K169 PolarHBondContact O-N 2.82Å; K169-L171 PolarHBondContact O-N 2.9Å; K169-G172 PolarHBondContact O-N 2.93Å
170	L	95	Very high	92.4	Very high	15 Å²	15	10.5 Å²	10.5	8%	0.079	8%	0.078	C	C	.	.	H	α-helix	trans	-58.9	-40.1	177.9	179.5	63.9	0	0	0	111.5	F8 F125 H127 T132 V134 A166 Y167 A168	F8-L170 HydrophobicContact CD2-CD1 3.72Å; F8-L170 HydrophobicContact CE2-CD1 3.85Å; F125-L170 HydrophobicContact CB-CD2 3.67Å; F125-L170 HydrophobicContact CD2-CD2 3.81Å; F125-L170 HydrophobicContact CG-CD2 3.86Å; H127-L170 HydrophobicContact CB-CD2 4.24Å; T132-L170 HydrophobicContact CG2-CD1 4.2Å; V134-L170 HydrophobicContact CG2-CB 4.2Å; V134-L170 HydrophobicContact CG2-CD1 4.05Å; A166-L170 PolarHBondContact O-N 3Å; Y167-L170 HydrophobicContact CD2-CD2 4.21Å; Y167-L170 HydrophobicContact CE2-CD2 4.38Å; Y167-L170 WeakPolarHBondContact O-CB 3.38Å; Y167-L170 PolarHBondContact O-N 3.04Å; Y167-L170 VanDerWaalsContact O-N 3.15Å; A168-L170 PolarHBondContact O-N 3.11Å
171	L	91.4	Very high	92.2	Very high	6 Å²	6	12.9 Å²	12.9	3%	0.031	9%	0.093	C	C	.	.	H	α-helix	trans	-90	-12.7	-177.2	-61.1	-179.7	0	0	0	113.8	Y167 A168 K169 A176 L177 L180	Y167-L171 HydrophobicContact CD1-CD1 4.3Å; Y167-L171 HydrophobicContact CD2-CD1 4.37Å; Y167-L171 HydrophobicContact CE1-CD1 3.84Å; Y167-L171 HydrophobicContact CE2-CD1 3.89Å; Y167-L171 HydrophobicContact CE2-CG 4.25Å; Y167-L171 PolarHBondContact O-N 2.9Å; Y167-L171 VanDerWaalsContact O-N 3.09Å; A168-L171 CarbonylContact O-C 3.5Å; A168-L171 PolarHBondContact O-N 3.28Å; K169-L171 PolarHBondContact O-N 2.9Å; L171-A176 HydrophobicContact CB-CB 3.95Å; L171-L177 HydrophobicContact CD1-CD2 3.84Å; L171-L180 HydrophobicContact CD1-CD1 3.62Å
172	G	90.9	Very high	92	Very high	40 Å²	40	13.4 Å²	13.4	41%	0.412	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	119.1	-32.2	169.9	0	0	0	0	0	115	A168 K169	A168-G172 CarbonylContact O-C 3.6Å; A168-G172 PolarHBondContact O-N 3.46Å; K169-G172 PolarHBondContact O-N 2.93Å
173	C	91.6	Very high	91.7	Very high	6 Å²	6	14.5 Å²	14.5	4%	0.041	10%	0.102	C	C	.	.	S	Bend	trans	-165.3	172	177.2	60	0	0	0	0	110.7	S38 A168 A176	S38-C173 CarbonylContact O-C 3.55Å; S38-C173 VanDerWaalsContact O-CA 3.25Å; S38-C173 WeakPolarHBondContact O-CA 3.27Å; S38-C173 VanDerWaalsContact O-CB 3.3Å; S38-C173 WeakPolarHBondContact O-CB 3.4Å; A168-C173 PolarHBondContact O-N 2.91Å; C173-A176 WeakPolarHBondContact O-CB 3.47Å; C173-A176 PolarHBondContact O-N 2.88Å; C173-A176 PolarHBondContact SG-N 2.7Å
174	Y	92.6	Very high	91.5	Very high	5 Å²	5	14.8 Å²	14.8	2%	0.02	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-64.8	-37.9	175.9	-80.4	-92.3	0	0	0	112.9	F32 S38 L39 W51 P141 F149 E164 K165 A168 A176 L177	F32-Y174 HydrophobicContact CE1-CE2 4.17Å; F32-Y174 HydrophobicContact CZ-CD2 4.22Å; F32-Y174 HydrophobicContact CZ-CE2 4.24Å; S38-Y174 WeakPolarHBondContact O-CD2 3.43Å; S38-Y174 PolarHBondContact O-N 2.86Å; L39-Y174 HydrophobicContact CD2-CD2 3.86Å; L39-Y174 HydrophobicContact CD2-CE2 4.24Å; L39-Y174 PolarHBondContact O-N 3.02Å; W51-Y174 HydrophobicContact CH2-CE2 4.08Å; P141-Y174 HydrophobicContact CG-CE2 4.28Å; F149-Y174 HydrophobicContact CB-CD1 4.47Å; F149-Y174 HydrophobicContact CB-CE1 4.11Å; F149-Y174 AromaticContact CD1-CD1 3.6Å; F149-Y174 HydrophobicContact CD1-CD1 3.6Å; F149-Y174 HydrophobicContact CD1-CE1 4.08Å; F149-Y174 HydrophobicContact CD1-CG 4.38Å; F149-Y174 AromaticContact CD2-CD1 3.48Å; F149-Y174 HydrophobicContact CD2-CD1 3.48Å; F149-Y174 VanDerWaalsContact CD2-CD1 3.48Å; F149-Y174 AromaticContact CD2-CE1 3.33Å; F149-Y174 HydrophobicContact CD2-CE1 3.33Å; F149-Y174 HydrophobicContact CD2-CE2 4.41Å; F149-Y174 HydrophobicContact CD2-CG 4.09Å; F149-Y174 AromaticContact CD2-CZ 3.83Å; F149-Y174 AromaticContact CE1-CD1 3.55Å; F149-Y174 HydrophobicContact CE1-CD1 3.55Å; F149-Y174 HydrophobicContact CE1-CE1 4.37Å; F149-Y174 AromaticContact CE1-CG 3.88Å; F149-Y174 HydrophobicContact CE1-CG 3.88Å; F149-Y174 AromaticContact CE2-CD1 3.43Å; F149-Y174 HydrophobicContact CE2-CD1 3.43Å; F149-Y174 VanDerWaalsContact CE2-CD1 3.43Å; F149-Y174 AromaticContact CE2-CD2 3.91Å; F149-Y174 HydrophobicContact CE2-CD2 3.91Å; F149-Y174 AromaticContact CE2-CE1 3.68Å; F149-Y174 HydrophobicContact CE2-CE1 3.68Å; F149-Y174 HydrophobicContact CE2-CE2 4.13Å; F149-Y174 AromaticContact CE2-CG 3.54Å; F149-Y174 HydrophobicContact CE2-CG 3.54Å; F149-Y174 AromaticContact CG-CD1 3.59Å; F149-Y174 HydrophobicContact CG-CD1 3.59Å; F149-Y174 AromaticContact CG-CE1 3.58Å; F149-Y174 HydrophobicContact CG-CE1 3.58Å; F149-Y174 HydrophobicContact CG-CG 4.5Å; F149-Y174 VanDerWaalsContact CZ-CB 3.42Å; F149-Y174 AromaticContact CZ-CD1 3.47Å; F149-Y174 HydrophobicContact CZ-CD1 3.47Å; F149-Y174 VanDerWaalsContact CZ-CD1 3.47Å; F149-Y174 HydrophobicContact CZ-CD2 4.15Å; F149-Y174 HydrophobicContact CZ-CE1 4.19Å; F149-Y174 AromaticContact CZ-CG 3.42Å; F149-Y174 HydrophobicContact CZ-CG 3.42Å; F149-Y174 VanDerWaalsContact CZ-CG 3.42Å; E164-Y174 HydrophobicContact CG-CD1 4.37Å; E164-Y174 HydrophobicContact CG-CE1 3.96Å; K165-Y174 WeakPolarHBondContact CA-OH 3.44Å; K165-Y174 VanDerWaalsContact CB-OH 3.24Å; K165-Y174 WeakPolarHBondContact CB-OH 3.12Å; A168-Y174 HydrophobicContact CB-CD1 3.98Å; A168-Y174 HydrophobicContact CB-CD2 4Å; A168-Y174 HydrophobicContact CB-CE1 4.26Å; A168-Y174 HydrophobicContact CB-CE2 4.28Å; A168-Y174 HydrophobicContact CB-CG 3.86Å; Y174-A176 PolarHBondContact O-N 3.09Å; Y174-L177 HydrophobicContact CD1-CD1 4.28Å; Y174-L177 VanDerWaalsContact O-CB 3.23Å; Y174-L177 WeakPolarHBondContact O-CB 3.35Å; Y174-L177 VanDerWaalsContact O-CG 3.28Å; Y174-L177 WeakPolarHBondContact O-CG 3.4Å; Y174-L177 PolarHBondContact O-N 2.65Å
175	E	89	Confident	91.4	Very high	20 Å²	20	14.8 Å²	14.8	9%	0.093	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-61.6	-24	175.1	-164.5	179	166.6	0	0	112.9	L39 F40 Y41 N42 L177 D178 R411	L39-E175 PolarHBondContact O-N 3.06Å; F40-E175 VanDerWaalsContact CA-OE2 3.22Å; F40-E175 WeakPolarHBondContact CA-OE2 3.17Å; F40-E175 WeakPolarHBondContact CB-OE2 3.39Å; F40-E175 HydrophobicContact CD1-CB 3.61Å; F40-E175 HydrophobicContact CD1-CG 3.82Å; F40-E175 HydrophobicContact CE1-CB 4.2Å; F40-E175 HydrophobicContact CE1-CG 4.45Å; F40-E175 HydrophobicContact CG-CB 4.44Å; Y41-E175 HydrophobicContact CD1-CB 4.13Å; Y41-E175 HydrophobicContact CD1-CG 4.35Å; Y41-E175 WeakPolarHBondContact CD1-OE2 3.5Å; Y41-E175 HydrophobicContact CE1-CB 3.71Å; Y41-E175 VanDerWaalsContact CE1-CD 3.47Å; Y41-E175 HydrophobicContact CE1-CG 3.67Å; Y41-E175 WeakPolarHBondContact CE2-OE1 3.33Å; Y41-E175 VanDerWaalsContact CZ-OE1 3.26Å; Y41-E175 PolarHBondContact N-OE2 2.75Å; Y41-E175 PolarHBondContact OH-OE1 2.75Å; N42-E175 PolarHBondContact N-OE2 3.2Å; N42-E175 VanDerWaalsContact N-OE2 3.15Å; E175-L177 PolarHBondContact O-N 3.15Å; E175-D178 VanDerWaalsContact O-CB 3.32Å; E175-D178 WeakPolarHBondContact O-CB 3.44Å; E175-D178 PolarHBondContact O-N 2.87Å; E175-D178 VanDerWaalsContact O-N 3.1Å; E175-R411 PolarHBondContact O-NH1 3.27Å
176	A	87.8	Confident	91.3	Very high	3 Å²	3	14.8 Å²	14.8	3%	0.025	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-69.9	-15	176.1	0	0	0	0	0	112.9	L171 C173 Y174 D178 R408	L171-A176 HydrophobicContact CB-CB 3.95Å; C173-A176 WeakPolarHBondContact O-CB 3.47Å; C173-A176 PolarHBondContact O-N 2.88Å; C173-A176 PolarHBondContact SG-N 2.7Å; Y174-A176 PolarHBondContact O-N 3.09Å; A176-D178 VanDerWaalsContact C-N 3.25Å; A176-R408 WeakPolarHBondContact O-CD 3.42Å
177	L	88.6	Confident	91.1	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.01	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-70.3	-26.7	171.7	-55.8	-174.9	0	0	0	111.6	H80 E164 Y167 A168 L171 Y174 E175 G179 L180	H80-L177 PolarHBondContact CE1-O 2.93Å; E164-L177 HydrophobicContact CG-CD1 3.7Å; Y167-L177 HydrophobicContact CD1-CD2 3.45Å; Y167-L177 VanDerWaalsContact CD1-CD2 3.45Å; Y167-L177 HydrophobicContact CE1-CD2 3.86Å; Y167-L177 HydrophobicContact CG-CD2 4.21Å; A168-L177 HydrophobicContact CB-CD1 4.22Å; A168-L177 HydrophobicContact CB-CD2 4.46Å; A168-L177 HydrophobicContact CB-CG 4.35Å; L171-L177 HydrophobicContact CD1-CD2 3.84Å; Y174-L177 HydrophobicContact CD1-CD1 4.28Å; Y174-L177 VanDerWaalsContact O-CB 3.23Å; Y174-L177 WeakPolarHBondContact O-CB 3.35Å; Y174-L177 VanDerWaalsContact O-CG 3.28Å; Y174-L177 WeakPolarHBondContact O-CG 3.4Å; Y174-L177 PolarHBondContact O-N 2.65Å; E175-L177 PolarHBondContact O-N 3.15Å; L177-G179 PolarHBondContact O-N 3.25Å; L177-L180 HydrophobicContact CD2-CD1 4.23Å; L177-L180 WeakPolarHBondContact O-CB 3.07Å; L177-L180 PolarHBondContact O-N 2.64Å
178	D	83.2	Confident	91	Very high	53 Å²	53	15.4 Å²	15.4	28%	0.283	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	130.1	177.9	-65.2	-27.2	0	0	0	110.3	H80 E175 A176 R411	H80-D178 IonicContact CD2-OD1 2.56Å; E175-D178 VanDerWaalsContact O-CB 3.32Å; E175-D178 WeakPolarHBondContact O-CB 3.44Å; E175-D178 PolarHBondContact O-N 2.87Å; E175-D178 VanDerWaalsContact O-N 3.1Å; A176-D178 VanDerWaalsContact C-N 3.25Å; D178-R411 PolarHBondContact O-NH1 2.88Å; D178-R411 PolarHBondContact O-NH2 2.94Å
179	G	78.4	Confident	91.1	Very high	53 Å²	53	15.4 Å²	15.4	55%	0.546	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	6.1	-178.1	0	0	0	0	0	114.3	L177 R408	L177-G179 PolarHBondContact O-N 3.25Å; G179-R408 PolarHBondContact O-NH2 3.45Å
180	L	86.9	Confident	90.9	Very high	6 Å²	6	15.3 Å²	15.3	3%	0.031	11%	0.107	C	C	.	.			trans	-78.5	139	164.9	-73	166.6	0	0	0	110.9	H80 Y167 L171 L177 D184 I185	H80-L180 PolarHBondContact CE1-O 3Å; H80-L180 VanDerWaalsContact CE1-O 3.28Å; Y167-L180 HydrophobicContact CE1-CD1 3.52Å; Y167-L180 WeakPolarHBondContact OH-CD1 3.35Å; L171-L180 HydrophobicContact CD1-CD1 3.62Å; L177-L180 HydrophobicContact CD2-CD1 4.23Å; L177-L180 WeakPolarHBondContact O-CB 3.07Å; L177-L180 PolarHBondContact O-N 2.64Å; L180-D184 HydrophobicContact CB-CB 4.47Å; L180-D184 HydrophobicContact CD2-CB 3.78Å; L180-I185 HydrophobicContact CB-CD1 4.22Å; L180-I185 HydrophobicContact CB-CG1 3.99Å; L180-I185 HydrophobicContact CD1-CG1 4.17Å
181	T	89.1	Confident	90.8	Very high	52 Å²	52	14.6 Å²	14.6	32%	0.319	10%	0.103	S	C	.	.			trans	-79.5	157.9	168	66.1	0	0	0	0	110.5	T183 D184 I185	T181-T183 PolarHBondContact O-N 3.4Å; T181-T183 PolarHBondContact OG1-OG1 2.8Å; T181-D184 WeakPolarHBondContact CB-OD2 3.25Å; T181-D184 PolarHBondContact N-OD2 2.87Å; T181-D184 VanDerWaalsContact N-OD2 3.15Å; T181-D184 WeakPolarHBondContact O-CB 3.48Å; T181-D184 PolarHBondContact O-N 2.89Å; T181-D184 VanDerWaalsContact O-N 3.08Å; T181-D184 PolarHBondContact OG1-N 2.86Å; T181-D184 VanDerWaalsContact OG1-N 3.1Å; T181-D184 PolarHBondContact OG1-OD2 3.35Å; T181-I185 WeakPolarHBondContact O-CG1 3.36Å; T181-I185 PolarHBondContact O-N 2.78Å
182	I	90.6	Very high	90.9	Very high	14 Å²	14	14.3 Å²	14.3	7%	0.072	10%	0.101	C	C	.	.	H	α-helix	trans	-56.3	-36.6	172.5	-169.8	179.2	0	0	0	111.9	P82 S85 A86 D184 I185 I186 C229 T253	P82-I182 HydrophobicContact CB-CB 4.24Å; S85-I182 VanDerWaalsContact CB-CD1 3.42Å; A86-I182 HydrophobicContact CB-CG1 4.25Å; I182-D184 VanDerWaalsContact C-N 3.35Å; I182-D184 PolarHBondContact O-N 2.84Å; I182-I185 PolarHBondContact O-N 2.76Å; I182-I186 HydrophobicContact CD1-CD1 4.15Å; I182-I186 HydrophobicContact CG1-CD1 3.81Å; I182-I186 HydrophobicContact CG1-CG1 4.29Å; I182-I186 WeakPolarHBondContact O-CG1 3.32Å; I182-I186 PolarHBondContact O-N 2.61Å; I182-C229 HydrophobicContact CD1-CB 4.09Å; I182-T253 HydrophobicContact CD1-CG2 3.62Å
183	T	92.4	Very high	91	Very high	24 Å²	24	12.4 Å²	12.4	15%	0.147	8%	0.082	C	C	.	.	H	α-helix	trans	-64.4	-38.3	177.2	36.8	0	0	0	0	112.5	T181 I185 V187 A194 N338	T181-T183 PolarHBondContact O-N 3.4Å; T181-T183 PolarHBondContact OG1-OG1 2.8Å; T183-I185 VanDerWaalsContact C-N 3.34Å; T183-V187 WeakPolarHBondContact O-CB 3.06Å; T183-V187 WeakPolarHBondContact O-CG2 3.47Å; T183-V187 PolarHBondContact O-N 3.33Å; T183-A194 HydrophobicContact CG2-CB 3.94Å; T183-N338 HydrophobicContact CG2-CB 3.61Å; T183-N338 WeakPolarHBondContact CG2-OD1 3.35Å
184	D	92.6	Very high	91.1	Very high	6 Å²	6	12.9 Å²	12.9	3%	0.032	9%	0.086	C	C	.	.	H	α-helix	trans	-59.9	-46.8	174.5	-76.2	-50	0	0	0	111.3	L180 T181 I182 D188 R454	L180-D184 HydrophobicContact CB-CB 4.47Å; L180-D184 HydrophobicContact CD2-CB 3.78Å; T181-D184 WeakPolarHBondContact CB-OD2 3.25Å; T181-D184 PolarHBondContact N-OD2 2.87Å; T181-D184 VanDerWaalsContact N-OD2 3.15Å; T181-D184 WeakPolarHBondContact O-CB 3.48Å; T181-D184 PolarHBondContact O-N 2.89Å; T181-D184 VanDerWaalsContact O-N 3.08Å; T181-D184 PolarHBondContact OG1-N 2.86Å; T181-D184 VanDerWaalsContact OG1-N 3.1Å; T181-D184 PolarHBondContact OG1-OD2 3.35Å; I182-D184 VanDerWaalsContact C-N 3.35Å; I182-D184 PolarHBondContact O-N 2.84Å; D184-D188 WeakPolarHBondContact O-CB 3.23Å; D184-D188 VanDerWaalsContact O-CG 3.23Å; D184-D188 PolarHBondContact O-N 3.29Å; D184-R454 VanDerWaalsContact CA-NH2 3.32Å; D184-R454 PolarHBondContact O-NH2 3.43Å; D184-R454 VanDerWaalsContact O-NH2 3.13Å; D184-R454 IonicContact OD1-CZ 2.65Å; D184-R454 IonicContact OD1-NE 2.84Å; D184-R454 PolarHBondContact OD1-NE 2.89Å; D184-R454 IonicContact OD1-NH2 3.94Å; D184-R454 PolarHBondContact OD1-NH2 2.8Å; D184-R454 VanDerWaalsContact OD1-NH2 3.13Å
185	I	95	Very high	91.1	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-67.2	-47	-177.8	-56.1	169.5	0	0	0	110.6	P82 M83 A86 Y167 L180 T181 I182 T183 V187 D188 F189	P82-I185 HydrophobicContact CB-CD1 3.94Å; M83-I185 HydrophobicContact SD-CD1 4.11Å; M83-I185 HydrophobicContact SD-CG2 3.9Å; A86-I185 HydrophobicContact CB-CB 3.83Å; A86-I185 HydrophobicContact CB-CG2 3.41Å; A86-I185 VanDerWaalsContact CB-CG2 3.41Å; Y167-I185 HydrophobicContact CE1-CG1 4.17Å; Y167-I185 HydrophobicContact CE1-CG2 4.25Å; L180-I185 HydrophobicContact CB-CD1 4.22Å; L180-I185 HydrophobicContact CB-CG1 3.99Å; L180-I185 HydrophobicContact CD1-CG1 4.17Å; T181-I185 WeakPolarHBondContact O-CG1 3.36Å; T181-I185 PolarHBondContact O-N 2.78Å; I182-I185 PolarHBondContact O-N 2.76Å; T183-I185 VanDerWaalsContact C-N 3.34Å; I185-V187 VanDerWaalsContact C-N 3.35Å; I185-V187 PolarHBondContact O-N 2.72Å; I185-D188 PolarHBondContact O-N 3.1Å; I185-D188 VanDerWaalsContact O-N 3.16Å; I185-F189 HydrophobicContact CG2-CD1 4.36Å; I185-F189 HydrophobicContact CG2-CD2 4Å; I185-F189 HydrophobicContact CG2-CE1 3.83Å; I185-F189 HydrophobicContact CG2-CE2 3.4Å; I185-F189 VanDerWaalsContact CG2-CE2 3.4Å; I185-F189 HydrophobicContact CG2-CG 4.46Å; I185-F189 HydrophobicContact CG2-CZ 3.31Å; I185-F189 WeakPolarHBondContact O-CD1 3.32Å; I185-F189 VanDerWaalsContact O-CG 3.3Å; I185-F189 WeakPolarHBondContact O-CG 3.49Å; I185-F189 PolarHBondContact O-N 2.89Å
186	I	95.2	Very high	91.2	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-62.3	-43.6	179.2	-67.7	170.1	0	0	0	110.9	A86 C89 I182 D188 F189 T190 L227 C229 C340	A86-I186 HydrophobicContact CB-CG1 4.01Å; C89-I186 HydrophobicContact CB-CD1 3.87Å; C89-I186 HydrophobicContact CB-CG1 4.42Å; I182-I186 HydrophobicContact CD1-CD1 4.15Å; I182-I186 HydrophobicContact CG1-CD1 3.81Å; I182-I186 HydrophobicContact CG1-CG1 4.29Å; I182-I186 WeakPolarHBondContact O-CG1 3.32Å; I182-I186 PolarHBondContact O-N 2.61Å; I186-D188 VanDerWaalsContact C-N 3.3Å; I186-D188 PolarHBondContact O-N 2.87Å; I186-F189 PolarHBondContact O-N 2.86Å; I186-T190 HydrophobicContact CG2-CG2 4.39Å; I186-T190 WeakPolarHBondContact O-CB 3.44Å; I186-T190 WeakPolarHBondContact O-CG2 3.29Å; I186-T190 PolarHBondContact O-N 3.24Å; I186-T190 PolarHBondContact O-OG1 2.95Å; I186-L227 HydrophobicContact CG2-CB 4.5Å; I186-L227 HydrophobicContact CG2-CD1 3.89Å; I186-C229 WeakPolarHBondContact CD1-SG 3.39Å; I186-C340 HydrophobicContact CG2-CB 3.88Å; I186-C340 VanDerWaalsContact CG2-SG 3.57Å
187	V	94.7	Very high	91.5	Very high	13 Å²	13	14.3 Å²	14.3	8%	0.079	10%	0.096	C	C	.	.	H	α-helix	trans	-62.2	-41.4	176.2	169	0	0	0	0	110.2	W126 T183 I185 F189 T190 G191 A194	W126-V187 HydrophobicContact CE3-CG1 3.54Å; W126-V187 HydrophobicContact CH2-CG1 4.33Å; W126-V187 HydrophobicContact CZ3-CG1 3.39Å; T183-V187 WeakPolarHBondContact O-CB 3.06Å; T183-V187 WeakPolarHBondContact O-CG2 3.47Å; T183-V187 PolarHBondContact O-N 3.33Å; I185-V187 VanDerWaalsContact C-N 3.35Å; I185-V187 PolarHBondContact O-N 2.72Å; V187-F189 VanDerWaalsContact C-N 3.28Å; V187-F189 PolarHBondContact O-N 2.85Å; V187-T190 PolarHBondContact O-N 2.89Å; V187-G191 WeakPolarHBondContact O-CA 3.34Å; V187-G191 PolarHBondContact O-N 2.74Å; V187-A194 HydrophobicContact CG2-CB 3.75Å
188	D	95.6	Very high	91.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67.4	-28.3	178.4	-71.2	3	0	0	0	112.8	F125 W126 Y167 D184 I185 I186 R454	F125-D188 CarbonylContact C-O 3.48Å; F125-D188 VanDerWaalsContact CA-O 3.29Å; F125-D188 WeakPolarHBondContact CA-O 3.41Å; W126-D188 PolarHBondContact N-O 3.22Å; W126-D188 WeakPolarHBondContact O-CA 3.49Å; Y167-D188 HydrophobicContact CE2-CB 3.83Å; Y167-D188 WeakPolarHBondContact CE2-OD2 3.41Å; Y167-D188 PolarHBondContact OH-OD2 3.04Å; D184-D188 WeakPolarHBondContact O-CB 3.23Å; D184-D188 VanDerWaalsContact O-CG 3.23Å; D184-D188 PolarHBondContact O-N 3.29Å; I185-D188 PolarHBondContact O-N 3.1Å; I185-D188 VanDerWaalsContact O-N 3.16Å; I186-D188 VanDerWaalsContact C-N 3.3Å; I186-D188 PolarHBondContact O-N 2.87Å; D188-R454 VanDerWaalsContact CG-NH2 3.29Å; D188-R454 IonicContact OD1-CZ 2.64Å; D188-R454 IonicContact OD1-NH1 3.65Å; D188-R454 IonicContact OD1-NH2 3.04Å; D188-R454 PolarHBondContact OD1-NH2 2.8Å; D188-R454 IonicContact OD2-CZ 3.09Å; D188-R454 IonicContact OD2-NH1 3.72Å; D188-R454 PolarHBondContact OD2-NH1 2.63Å; D188-R454 IonicContact OD2-NH2 3.49Å; D188-R454 PolarHBondContact OD2-NH2 3.41Å; D188-R454 VanDerWaalsContact OD2-NH2 3.15Å
189	F	95.7	Very high	92.3	Very high	1 Å²	1	15.5 Å²	15.5	0%	0.004	10%	0.102	C	C	.	.	H	α-helix	trans	-81.2	-29.9	176.3	-65.6	-4.8	0	0	0	112.4	M83 A86 F87 L90 T100 F125 W131 L163 Y167 I185 I186 V187	M83-F189 HydrophobicContact CE-CE2 4.43Å; M83-F189 HydrophobicContact CE-CZ 3.63Å; M83-F189 HydrophobicContact SD-CZ 4.14Å; A86-F189 HydrophobicContact CB-CE2 4.34Å; F87-F189 AromaticContact CD1-CE2 3.77Å; F87-F189 HydrophobicContact CD1-CE2 3.77Å; F87-F189 HydrophobicContact CD1-CZ 4.44Å; F87-F189 AromaticContact CE1-CE2 3.7Å; F87-F189 HydrophobicContact CE1-CE2 3.7Å; F87-F189 AromaticContact CE1-CZ 3.92Å; F87-F189 HydrophobicContact CE1-CZ 3.92Å; L90-F189 HydrophobicContact CB-CD2 4.45Å; L90-F189 HydrophobicContact CD1-CB 4.16Å; L90-F189 HydrophobicContact CD2-CB 4.32Å; L90-F189 HydrophobicContact CD2-CD2 3.8Å; L90-F189 HydrophobicContact CD2-CE2 4.5Å; L90-F189 HydrophobicContact CD2-CG 4.33Å; T100-F189 PolarHBondContact OG1-O 3.14Å; F125-F189 AromaticContact CD1-CD1 3.67Å; F125-F189 HydrophobicContact CD1-CD1 3.67Å; F125-F189 AromaticContact CD1-CE1 3.85Å; F125-F189 HydrophobicContact CD1-CE1 3.85Å; F125-F189 AromaticContact CE1-CD1 3.73Å; F125-F189 HydrophobicContact CE1-CD1 3.73Å; F125-F189 AromaticContact CE1-CE1 3.53Å; F125-F189 HydrophobicContact CE1-CE1 3.53Å; W131-F189 WeakPolarHBondContact CH2-O 3.27Å; L163-F189 HydrophobicContact CD2-CE2 4.35Å; Y167-F189 HydrophobicContact CD1-CE1 4.11Å; Y167-F189 HydrophobicContact CD1-CZ 4.36Å; Y167-F189 HydrophobicContact CD2-CE1 4.11Å; Y167-F189 HydrophobicContact CE1-CE1 4.37Å; Y167-F189 HydrophobicContact CE2-CE1 4.4Å; Y167-F189 AromaticContact CG-CE1 3.97Å; Y167-F189 HydrophobicContact CG-CE1 3.97Å; I185-F189 HydrophobicContact CG2-CD1 4.36Å; I185-F189 HydrophobicContact CG2-CD2 4Å; I185-F189 HydrophobicContact CG2-CE1 3.83Å; I185-F189 HydrophobicContact CG2-CE2 3.4Å; I185-F189 VanDerWaalsContact CG2-CE2 3.4Å; I185-F189 HydrophobicContact CG2-CG 4.46Å; I185-F189 HydrophobicContact CG2-CZ 3.31Å; I185-F189 WeakPolarHBondContact O-CD1 3.32Å; I185-F189 VanDerWaalsContact O-CG 3.3Å; I185-F189 WeakPolarHBondContact O-CG 3.49Å; I185-F189 PolarHBondContact O-N 2.89Å; I186-F189 PolarHBondContact O-N 2.86Å; V187-F189 VanDerWaalsContact C-N 3.28Å; V187-F189 PolarHBondContact O-N 2.85Å
190	T	93.8	Very high	93	Very high	1 Å²	1	19 Å²	19	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-120.3	-19.7	-164.2	64.5	0	0	0	0	114.7	L90 H96 W131 I186 V187 T192 L227 N344	L90-T190 HydrophobicContact CD1-CG2 3.92Å; H96-T190 HydrophobicContact CB-CG2 3.78Å; W131-T190 WeakPolarHBondContact CZ2-O 3.49Å; I186-T190 HydrophobicContact CG2-CG2 4.39Å; I186-T190 WeakPolarHBondContact O-CB 3.44Å; I186-T190 WeakPolarHBondContact O-CG2 3.29Å; I186-T190 PolarHBondContact O-N 3.24Å; I186-T190 PolarHBondContact O-OG1 2.95Å; V187-T190 PolarHBondContact O-N 2.89Å; T190-T192 PolarHBondContact O-N 2.77Å; T190-T192 WeakPolarHBondContact OG1-CB 3.45Å; T190-T192 WeakPolarHBondContact OG1-CG2 3.15Å; T190-T192 PolarHBondContact OG1-N 2.89Å; T190-T192 PolarHBondContact OG1-OG1 3.47Å; T190-L227 HydrophobicContact CG2-CD1 3.86Å; T190-N344 PolarHBondContact O-ND2 3.17Å
191	G	92.3	Very high	93.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.			trans	64.8	16.5	-170	0	0	0	0	0	114.1	V187 V343 R485	V187-G191 WeakPolarHBondContact O-CA 3.34Å; V187-G191 PolarHBondContact O-N 2.74Å; G191-V343 WeakPolarHBondContact O-CG2 3.35Å; G191-R485 PolarHBondContact O-NH2 2.93Å; G191-R485 VanDerWaalsContact O-NH2 3.16Å
192	T	93.1	Very high	93.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.			trans	-64	173.9	175.6	51.9	0	0	0	0	111.7	T190 C340 R341 R485	T190-T192 PolarHBondContact O-N 2.77Å; T190-T192 WeakPolarHBondContact OG1-CB 3.45Å; T190-T192 WeakPolarHBondContact OG1-CG2 3.15Å; T190-T192 PolarHBondContact OG1-N 2.89Å; T190-T192 PolarHBondContact OG1-OG1 3.47Å; T192-C340 HydrophobicContact CG2-CB 4.48Å; T192-R341 WeakPolarHBondContact CA-O 3.39Å; T192-R341 WeakPolarHBondContact CB-O 3.24Å; T192-R341 WeakPolarHBondContact CG2-O 3.42Å; T192-R485 PolarHBondContact O-NH1 3.2Å
193	L	93.1	Very high	93.5	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.1	168.9	-177.4	72.6	0	0	0	109.3	C340 R341 V343 L353 I399 R485 F487	L193-C340 CarbonylContact O-C 3.53Å; L193-C340 WeakPolarHBondContact O-CA 3.39Å; L193-R341 PolarHBondContact N-O 2.89Å; L193-R341 PolarHBondContact O-N 3.29Å; L193-V343 HydrophobicContact CB-CG1 3.72Å; L193-L353 HydrophobicContact CD2-CD1 4.38Å; L193-I399 HydrophobicContact CD2-CB 4.16Å; L193-I399 HydrophobicContact CD2-CG2 3.9Å; L193-R485 HydrophobicContact CD1-CB 4.3Å; L193-F487 HydrophobicContact CD2-CB 3.23Å; L193-F487 HydrophobicContact CD2-CG 3.91Å
194	A	92.7	Very high	93.6	Very high	16 Å²	16	31.5 Å²	31.5	13%	0.132	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	139.2	179.3	0	0	0	0	0	112.1	T183 V187 V339	T183-A194 HydrophobicContact CG2-CB 3.94Å; V187-A194 HydrophobicContact CG2-CB 3.75Å; A194-V339 CarbonylContact C-O 3.57Å; A194-V339 WeakPolarHBondContact CA-O 3.5Å
195	E	92.8	Very high	93.7	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.019	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151.6	160.2	69.4	-179.7	152.2	0	0	109.3	V339 R341 K397 F457 S459	E195-V339 HydrophobicContact CG-CB 3.95Å; E195-V339 HydrophobicContact CG-CG1 4.49Å; E195-V339 PolarHBondContact N-O 2.82Å; E195-V339 PolarHBondContact O-N 2.83Å; E195-R341 IonicContact OE1-CZ 3.5Å; E195-R341 IonicContact OE1-NE 3.53Å; E195-R341 PolarHBondContact OE1-NE 2.57Å; E195-R341 IonicContact OE1-NH2 3.34Å; E195-R341 PolarHBondContact OE1-NH2 3.25Å; E195-K397 IonicContact OE1-NZ 2.63Å; E195-K397 PolarHBondContact OE1-NZ 3.49Å; E195-K397 VanDerWaalsContact OE1-NZ 3.11Å; E195-K397 IonicContact OE2-NZ 3.84Å; E195-K397 PolarHBondContact OE2-NZ 3.1Å; E195-F457 HydrophobicContact CB-CD2 3.94Å; E195-F457 HydrophobicContact CB-CE2 3.95Å; E195-S459 WeakPolarHBondContact OE2-CB 3.49Å; E195-S459 PolarHBondContact OE2-OG 3.19Å
196	T	92.9	Very high	93.6	Very high	39 Å²	39	39.4 Å²	39.4	24%	0.239	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.9	170.5	-58.7	0	0	0	0	109.5	K336 L337 N338 F457	T196-K336 HydrophobicContact CG2-CD 4.01Å; T196-K336 HydrophobicContact CG2-CG 3.53Å; T196-L337 CarbonylContact C-O 3.51Å; T196-L337 WeakPolarHBondContact CA-O 3.42Å; T196-L337 WeakPolarHBondContact CG2-O 3.34Å; T196-N338 PolarHBondContact OG1-OD1 3.44Å; T196-F457 VanDerWaalsContact O-CZ 3.27Å; T196-F457 WeakPolarHBondContact O-CZ 3.33Å
197	V	93.8	Very high	93.6	Very high	15 Å²	15	42.6 Å²	42.6	9%	0.091	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.1	172.7	-177.7	0	0	0	0	108.5	M199 Y204 L214 L337 V339	V197-M199 HydrophobicContact CG1-SD 4.47Å; V197-Y204 HydrophobicContact CG1-CE2 3.63Å; V197-L214 HydrophobicContact CG1-CD1 4.25Å; V197-L337 HydrophobicContact CB-CB 4.11Å; V197-L337 HydrophobicContact CB-CD1 4.39Å; V197-L337 HydrophobicContact CB-CG 4.41Å; V197-L337 PolarHBondContact N-O 2.96Å; V197-L337 PolarHBondContact O-N 3.42Å; V197-V339 HydrophobicContact CG2-CG2 4.14Å
198	D	94.1	Very high	93.6	Very high	76 Å²	76	46.2 Å²	46.2	41%	0.406	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	116.9	173.3	178.6	-33.5	0	0	0	108.5	Q200 K201 G202	D198-Q200 PolarHBondContact OD1-N 2.88Å; D198-K201 HydrophobicContact CB-CB 3.87Å; D198-K201 VanDerWaalsContact CG-CB 3.43Å; D198-K201 WeakPolarHBondContact OD1-CB 3.38Å; D198-K201 PolarHBondContact OD1-N 2.84Å; D198-G202 PolarHBondContact O-N 3.27Å; D198-G202 VanDerWaalsContact O-N 3.08Å
199	M	94.5	Very high	93.5	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.015	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-34.3	-171.1	-64	-66.4	-74.7	0	0	112.3	V197 R203 Y204 L214 F330 C331 F334 H335 L337	V197-M199 HydrophobicContact CG1-SD 4.47Å; M199-R203 PolarHBondContact O-N 3.13Å; M199-Y204 HydrophobicContact CB-CD2 4.42Å; M199-Y204 HydrophobicContact CE-CD2 4.13Å; M199-Y204 WeakPolarHBondContact O-CD2 3.23Å; M199-Y204 PolarHBondContact O-N 2.84Å; M199-Y204 HydrophobicContact SD-CD2 3.73Å; M199-Y204 HydrophobicContact SD-CE2 4.14Å; M199-L214 HydrophobicContact CE-CD2 3.78Å; M199-L214 HydrophobicContact SD-CD2 3.81Å; M199-F330 HydrophobicContact CE-CD1 4.23Å; M199-F330 HydrophobicContact CE-CE1 4.09Å; M199-C331 HydrophobicContact CE-CB 4.18Å; M199-F334 VanDerWaalsContact CB-O 3.3Å; M199-F334 WeakPolarHBondContact CB-O 3.33Å; M199-F334 WeakPolarHBondContact CG-O 3.2Å; M199-H335 VanDerWaalsContact CB-O 3.28Å; M199-H335 WeakPolarHBondContact CB-O 3.3Å; M199-H335 WeakPolarHBondContact CG-O 3.46Å; M199-H335 PolarHBondContact N-O 3.1Å; M199-L337 HydrophobicContact CE-CD1 4.44Å; M199-L337 HydrophobicContact CG-CD2 4.37Å; M199-L337 HydrophobicContact CG-CG 4.11Å; M199-L337 HydrophobicContact SD-CD1 3.5Å; M199-L337 WeakPolarHBondContact SD-CD1 3.29Å; M199-L337 HydrophobicContact SD-CD2 4.12Å; M199-L337 HydrophobicContact SD-CG 3.6Å; M199-L337 VanDerWaalsContact SD-CG 3.6Å
200	Q	91.5	Very high	93.4	Very high	128 Å²	128	57.2 Å²	57.2	60%	0.598	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-46.6	179	-67.7	-176.3	-10.1	0	0	110.8	D198 G202 R203	D198-Q200 PolarHBondContact OD1-N 2.88Å; Q200-G202 PolarHBondContact O-N 3.15Å; Q200-R203 PolarHBondContact O-N 2.65Å
201	K	91.9	Very high	93.5	Very high	178 Å²	178	57.4 Å²	57.4	77%	0.774	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-34	177	-173	177.3	-179	176.4	0	112.1	D198 R203	D198-K201 HydrophobicContact CB-CB 3.87Å; D198-K201 VanDerWaalsContact CG-CB 3.43Å; D198-K201 WeakPolarHBondContact OD1-CB 3.38Å; D198-K201 PolarHBondContact OD1-N 2.84Å; K201-R203 VanDerWaalsContact C-N 3.27Å
202	G	91.8	Very high	93.7	Very high	17 Å²	17	62.2 Å²	62.2	18%	0.175	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-11.9	174.4	0	0	0	0	0	114.6	D198 Q200 Y204	D198-G202 PolarHBondContact O-N 3.27Å; D198-G202 VanDerWaalsContact O-N 3.08Å; Q200-G202 PolarHBondContact O-N 3.15Å; G202-Y204 PolarHBondContact O-N 2.84Å
203	R	94.8	Very high	93.7	Very high	130 Å²	130	65.9 Å²	65.9	49%	0.491	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	37.6	-179.4	-63	-178.1	64.5	-163.2	-0.5	112.8	M199 Q200 K201 T205 E206 L207	M199-R203 PolarHBondContact O-N 3.13Å; Q200-R203 PolarHBondContact O-N 2.65Å; K201-R203 VanDerWaalsContact C-N 3.27Å; R203-T205 PolarHBondContact O-N 2.86Å; R203-E206 VanDerWaalsContact C-OE2 3.31Å; R203-E206 WeakPolarHBondContact CA-OE2 3.25Å; R203-E206 VanDerWaalsContact CB-OE2 3.22Å; R203-E206 WeakPolarHBondContact CB-OE2 3.38Å; R203-E206 PolarHBondContact O-N 3.06Å; R203-L207 HydrophobicContact CB-CD1 3.81Å; R203-L207 HydrophobicContact CB-CG 3.95Å; R203-L207 WeakPolarHBondContact O-CB 3.43Å; R203-L207 PolarHBondContact O-N 3.39Å
204	Y	94.5	Very high	93.8	Very high	32 Å²	32	66 Å²	66	13%	0.125	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-18.2	-173.9	-59.4	-65	0	0	0	112.6	V197 M199 G202 E210 K211 L214	V197-Y204 HydrophobicContact CG1-CE2 3.63Å; M199-Y204 HydrophobicContact CB-CD2 4.42Å; M199-Y204 HydrophobicContact CE-CD2 4.13Å; M199-Y204 WeakPolarHBondContact O-CD2 3.23Å; M199-Y204 PolarHBondContact O-N 2.84Å; M199-Y204 HydrophobicContact SD-CD2 3.73Å; M199-Y204 HydrophobicContact SD-CE2 4.14Å; G202-Y204 PolarHBondContact O-N 2.84Å; Y204-E210 HydrophobicContact CD1-CB 3.92Å; Y204-E210 WeakPolarHBondContact CD1-O 3.48Å; Y204-E210 HydrophobicContact CE1-CB 3.99Å; Y204-K211 WeakPolarHBondContact O-CB 3.37Å; Y204-K211 WeakPolarHBondContact O-CE 3.45Å; Y204-L214 HydrophobicContact CD1-CB 3.88Å; Y204-L214 HydrophobicContact CD1-CD2 3.94Å; Y204-L214 HydrophobicContact CD1-CG 4.48Å; Y204-L214 HydrophobicContact CD2-CD2 3.78Å; Y204-L214 HydrophobicContact CE1-CB 3.76Å; Y204-L214 HydrophobicContact CE1-CD2 4.18Å; Y204-L214 HydrophobicContact CE1-CG 4.38Å; Y204-L214 HydrophobicContact CE2-CD2 4.02Å; Y204-L214 HydrophobicContact CG-CD2 3.73Å
205	T	93.2	Very high	94	Very high	56 Å²	56	65.5 Å²	65.5	34%	0.344	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-42.7	173.4	-40.2	0	0	0	0	110.4	R203 K211 C331 R332	R203-T205 PolarHBondContact O-N 2.86Å; T205-K211 PolarHBondContact O-NZ 2.8Å; T205-C331 PolarHBondContact OG1-O 3.37Å; T205-R332 HydrophobicContact CG2-CB 4.49Å
206	E	94.2	Very high	94.1	Very high	116 Å²	116	67.1 Å²	67.1	54%	0.542	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-35.2	-174.2	-49.2	85.2	-175	0	0	113.9	R203	R203-E206 VanDerWaalsContact C-OE2 3.31Å; R203-E206 WeakPolarHBondContact CA-OE2 3.25Å; R203-E206 VanDerWaalsContact CB-OE2 3.22Å; R203-E206 WeakPolarHBondContact CB-OE2 3.38Å; R203-E206 PolarHBondContact O-N 3.06Å
207	L	95.4	Very high	94.1	Very high	68 Å²	68	67.1 Å²	67.1	36%	0.356	33%	0.329	S	S	.	.			trans	-97.5	102.2	-173.1	-60.2	-178.5	0	0	0	111.4	R203 E209 E210 K211	R203-L207 HydrophobicContact CB-CD1 3.81Å; R203-L207 HydrophobicContact CB-CG 3.95Å; R203-L207 WeakPolarHBondContact O-CB 3.43Å; R203-L207 PolarHBondContact O-N 3.39Å; L207-E209 VanDerWaalsContact C-N 3.31Å; L207-E209 PolarHBondContact O-N 2.86Å; L207-E210 HydrophobicContact CB-CB 4.16Å; L207-E210 HydrophobicContact CB-CG 4.4Å; L207-E210 HydrophobicContact CD1-CG 4.36Å; L207-E210 PolarHBondContact O-N 3.49Å; L207-K211 WeakPolarHBondContact O-CB 3.14Å; L207-K211 PolarHBondContact O-N 2.96Å
208	V	93.8	Very high	94.3	Very high	89 Å²	89	66.5 Å²	66.5	54%	0.539	33%	0.325	S	S	.	.	H	α-helix	trans	-54.7	-43.7	-178.7	-180	0	0	0	0	112.4	K211 Y212	V208-K211 WeakPolarHBondContact O-CB 3.18Å; V208-K211 PolarHBondContact O-N 3.46Å; V208-Y212 HydrophobicContact CG1-CD2 3.74Å; V208-Y212 HydrophobicContact CG1-CE2 3.55Å; V208-Y212 WeakPolarHBondContact O-CD2 3.3Å; V208-Y212 PolarHBondContact O-N 2.98Å
209	E	94.3	Very high	94.3	Very high	169 Å²	169	67.6 Å²	67.6	79%	0.79	32%	0.324	S	S	*	.	H	α-helix	trans	-64.1	-47.4	-179.4	-65.6	-175.4	169.1	0	0	112.4	L207 K211 Y212 K213	L207-E209 VanDerWaalsContact C-N 3.31Å; L207-E209 PolarHBondContact O-N 2.86Å; E209-K211 VanDerWaalsContact C-N 3.33Å; E209-K211 PolarHBondContact O-N 3.16Å; E209-Y212 PolarHBondContact O-N 2.94Å; E209-K213 WeakPolarHBondContact O-CB 3.35Å; E209-K213 PolarHBondContact O-N 2.7Å
210	E	93.9	Very high	94.2	Very high	64 Å²	64	70.8 Å²	70.8	30%	0.299	34%	0.338	S	S	.	.	H	α-helix	trans	-68	-34.5	179.4	-69.3	-60.2	137	0	0	111.5	Y204 L207 K213 L214	Y204-E210 HydrophobicContact CD1-CB 3.92Å; Y204-E210 WeakPolarHBondContact CD1-O 3.48Å; Y204-E210 HydrophobicContact CE1-CB 3.99Å; L207-E210 HydrophobicContact CB-CB 4.16Å; L207-E210 HydrophobicContact CB-CG 4.4Å; L207-E210 HydrophobicContact CD1-CG 4.36Å; L207-E210 PolarHBondContact O-N 3.49Å; E210-K213 PolarHBondContact O-N 2.79Å; E210-K213 IonicContact OE1-NZ 3.65Å; E210-K213 PolarHBondContact OE1-NZ 3.02Å; E210-K213 IonicContact OE2-NZ 3.81Å; E210-K213 PolarHBondContact OE2-NZ 3.4Å; E210-L214 WeakPolarHBondContact O-CB 3.45Å; E210-L214 PolarHBondContact O-N 2.6Å
211	K	95.6	Very high	94.3	Very high	5 Å²	5	64.9 Å²	64.9	2%	0.022	31%	0.311	C	S	.	.	H	α-helix	trans	-57.4	-51.4	173.9	-174.5	-174.6	-63.3	165.7	0	112.2	Y204 T205 L207 V208 E209 K213 L214 F215 L327 E328	Y204-K211 WeakPolarHBondContact O-CB 3.37Å; Y204-K211 WeakPolarHBondContact O-CE 3.45Å; T205-K211 PolarHBondContact O-NZ 2.8Å; L207-K211 WeakPolarHBondContact O-CB 3.14Å; L207-K211 PolarHBondContact O-N 2.96Å; V208-K211 WeakPolarHBondContact O-CB 3.18Å; V208-K211 PolarHBondContact O-N 3.46Å; E209-K211 VanDerWaalsContact C-N 3.33Å; E209-K211 PolarHBondContact O-N 3.16Å; K211-K213 VanDerWaalsContact C-N 3.35Å; K211-L214 WeakPolarHBondContact O-CB 3.34Å; K211-L214 PolarHBondContact O-N 3.45Å; K211-F215 PolarHBondContact O-N 2.79Å; K211-L327 HydrophobicContact CD-CD2 4.41Å; K211-L327 HydrophobicContact CD-CG 4.33Å; K211-L327 HydrophobicContact CG-CD1 4.43Å; K211-L327 HydrophobicContact CG-CD2 3.89Å; K211-L327 HydrophobicContact CG-CG 3.94Å; K211-E328 WeakPolarHBondContact CD-OE2 3.34Å; K211-E328 WeakPolarHBondContact CE-OE2 3.49Å; K211-E328 IonicContact NZ-OE1 3.13Å; K211-E328 PolarHBondContact NZ-OE1 2.86Å; K211-E328 IonicContact NZ-OE2 2.84Å; K211-E328 PolarHBondContact NZ-OE2 3.21Å
212	Y	95.3	Very high	94.3	Very high	101 Å²	101	58.2 Å²	58.2	40%	0.396	28%	0.282	S	S	.	.	H	α-helix	trans	-72.7	-29.7	-180	-73.7	-63	0	0	0	112.9	V208 E209 F215 G216 Y278 L327	V208-Y212 HydrophobicContact CG1-CD2 3.74Å; V208-Y212 HydrophobicContact CG1-CE2 3.55Å; V208-Y212 WeakPolarHBondContact O-CD2 3.3Å; V208-Y212 PolarHBondContact O-N 2.98Å; E209-Y212 PolarHBondContact O-N 2.94Å; Y212-F215 PolarHBondContact O-N 3.33Å; Y212-G216 PolarHBondContact O-N 2.85Å; Y212-Y278 HydrophobicContact CD1-CD1 4.25Å; Y212-Y278 HydrophobicContact CD1-CD2 4.23Å; Y212-Y278 HydrophobicContact CD1-CE1 4.03Å; Y212-Y278 AromaticContact CD1-CE2 3.99Å; Y212-Y278 HydrophobicContact CD1-CE2 3.99Å; Y212-Y278 HydrophobicContact CD1-CG 4.34Å; Y212-Y278 AromaticContact CD1-CZ 3.88Å; Y212-Y278 HydrophobicContact CE1-CD1 4.27Å; Y212-Y278 AromaticContact CE1-CD2 3.47Å; Y212-Y278 HydrophobicContact CE1-CD2 3.47Å; Y212-Y278 VanDerWaalsContact CE1-CD2 3.47Å; Y212-Y278 HydrophobicContact CE1-CE1 4.21Å; Y212-Y278 AromaticContact CE1-CE2 3.37Å; Y212-Y278 HydrophobicContact CE1-CE2 3.37Å; Y212-Y278 AromaticContact CE1-CG 3.92Å; Y212-Y278 HydrophobicContact CE1-CG 3.92Å; Y212-Y278 AromaticContact CE1-CZ 3.76Å; Y212-L327 HydrophobicContact CD1-CD2 3.92Å; Y212-L327 HydrophobicContact CE1-CD2 4.03Å
213	K	93.9	Very high	94.3	Very high	77 Å²	77	61.2 Å²	61.2	34%	0.335	30%	0.297	S	S	.	.	H	α-helix	trans	-65.2	-44.5	171	-177.2	-179.4	166.5	-160.4	0	111.5	E209 E210 K211 F215 G216 E217 Y461	E209-K213 WeakPolarHBondContact O-CB 3.35Å; E209-K213 PolarHBondContact O-N 2.7Å; E210-K213 PolarHBondContact O-N 2.79Å; E210-K213 IonicContact OE1-NZ 3.65Å; E210-K213 PolarHBondContact OE1-NZ 3.02Å; E210-K213 IonicContact OE2-NZ 3.81Å; E210-K213 PolarHBondContact OE2-NZ 3.4Å; K211-K213 VanDerWaalsContact C-N 3.35Å; K213-F215 PolarHBondContact O-N 3.4Å; K213-G216 PolarHBondContact O-N 3.17Å; K213-G216 VanDerWaalsContact O-N 3.15Å; K213-E217 PolarHBondContact O-N 3.05Å; K213-Y461 WeakPolarHBondContact CE-OH 3.45Å
214	L	95.4	Very high	94.1	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-55.5	-50.6	172.2	174.6	66.5	0	0	0	110.4	V197 M199 Y204 E210 K211 G216 E217 L218 L337	V197-L214 HydrophobicContact CG1-CD1 4.25Å; M199-L214 HydrophobicContact CE-CD2 3.78Å; M199-L214 HydrophobicContact SD-CD2 3.81Å; Y204-L214 HydrophobicContact CD1-CB 3.88Å; Y204-L214 HydrophobicContact CD1-CD2 3.94Å; Y204-L214 HydrophobicContact CD1-CG 4.48Å; Y204-L214 HydrophobicContact CD2-CD2 3.78Å; Y204-L214 HydrophobicContact CE1-CB 3.76Å; Y204-L214 HydrophobicContact CE1-CD2 4.18Å; Y204-L214 HydrophobicContact CE1-CG 4.38Å; Y204-L214 HydrophobicContact CE2-CD2 4.02Å; Y204-L214 HydrophobicContact CG-CD2 3.73Å; E210-L214 WeakPolarHBondContact O-CB 3.45Å; E210-L214 PolarHBondContact O-N 2.6Å; K211-L214 WeakPolarHBondContact O-CB 3.34Å; K211-L214 PolarHBondContact O-N 3.45Å; L214-G216 VanDerWaalsContact C-N 3.29Å; L214-G216 PolarHBondContact O-N 3.13Å; L214-E217 WeakPolarHBondContact O-CB 3.44Å; L214-E217 PolarHBondContact O-N 3.2Å; L214-L218 HydrophobicContact CD1-CD1 4.09Å; L214-L218 HydrophobicContact CD1-CD2 4.21Å; L214-L218 HydrophobicContact CD1-CG 3.98Å; L214-L218 HydrophobicContact CD2-CD1 4.48Å; L214-L218 HydrophobicContact CG-CD1 3.95Å; L214-L218 HydrophobicContact CG-CG 4.21Å; L214-L218 WeakPolarHBondContact O-CG 3.32Å; L214-L218 PolarHBondContact O-N 3.44Å; L214-L337 HydrophobicContact CD1-CD1 4.25Å; L214-L337 HydrophobicContact CD2-CD1 4.33Å
215	F	96.9	Very high	94	Very high	5 Å²	5	56 Å²	56	2%	0.022	28%	0.28	C	S	.	.	H	α-helix	trans	-55.8	-44.7	176.6	-177.7	-80.4	0	0	0	112	K211 Y212 K213 E217 L218 Y219 I259 R260 K261 Y278 I280 L327	K211-F215 PolarHBondContact O-N 2.79Å; Y212-F215 PolarHBondContact O-N 3.33Å; K213-F215 PolarHBondContact O-N 3.4Å; F215-E217 VanDerWaalsContact C-N 3.32Å; F215-E217 PolarHBondContact O-N 3.44Å; F215-L218 PolarHBondContact O-N 3.26Å; F215-Y219 HydrophobicContact CE1-CD2 4.28Å; F215-Y219 HydrophobicContact CE1-CG 4.32Å; F215-Y219 HydrophobicContact CZ-CD2 4.48Å; F215-Y219 WeakPolarHBondContact O-CB 3.35Å; F215-Y219 PolarHBondContact O-N 3.48Å; F215-I259 HydrophobicContact CD2-CD1 3.96Å; F215-I259 HydrophobicContact CD2-CG1 4.31Å; F215-I259 HydrophobicContact CE1-CG1 4.46Å; F215-I259 HydrophobicContact CE2-CD1 3.69Å; F215-I259 HydrophobicContact CE2-CG1 3.54Å; F215-I259 HydrophobicContact CZ-CD1 3.99Å; F215-I259 HydrophobicContact CZ-CG1 3.62Å; F215-R260 WeakPolarHBondContact CZ-O 3.49Å; F215-K261 HydrophobicContact CE1-CB 4.02Å; F215-K261 HydrophobicContact CZ-CB 4.25Å; F215-Y278 AromaticContact CD1-CD1 3.58Å; F215-Y278 HydrophobicContact CD1-CD1 3.58Å; F215-Y278 HydrophobicContact CD1-CE1 4.12Å; F215-Y278 HydrophobicContact CD2-CD1 4.11Å; F215-Y278 AromaticContact CE1-CD1 3.58Å; F215-Y278 HydrophobicContact CE1-CD1 3.58Å; F215-Y278 HydrophobicContact CE1-CE1 4.22Å; F215-Y278 HydrophobicContact CE2-CD1 4.07Å; F215-Y278 HydrophobicContact CE2-CG 4.44Å; F215-Y278 AromaticContact CG-CD1 3.88Å; F215-Y278 HydrophobicContact CG-CD1 3.88Å; F215-Y278 AromaticContact CZ-CD1 3.82Å; F215-Y278 HydrophobicContact CZ-CD1 3.82Å; F215-I280 HydrophobicContact CE2-CG1 4.43Å; F215-L327 HydrophobicContact CB-CD1 4.14Å; F215-L327 HydrophobicContact CB-CD2 3.58Å; F215-L327 HydrophobicContact CB-CG 4.49Å; F215-L327 HydrophobicContact CD2-CB 4.35Å; F215-L327 HydrophobicContact CD2-CD1 4.08Å; F215-L327 HydrophobicContact CD2-CD2 3.89Å; F215-L327 HydrophobicContact CD2-CG 4.32Å; F215-L327 HydrophobicContact CG-CD2 4Å
216	G	95.4	Very high	94	Very high	38 Å²	38	53.5 Å²	53.5	39%	0.392	27%	0.265	S	S	.	.	H	α-helix	trans	-58.5	-42	175.9	0	0	0	0	0	113	Y212 K213 L214 K220	Y212-G216 PolarHBondContact O-N 2.85Å; K213-G216 PolarHBondContact O-N 3.17Å; K213-G216 VanDerWaalsContact O-N 3.15Å; L214-G216 VanDerWaalsContact C-N 3.29Å; L214-G216 PolarHBondContact O-N 3.13Å; G216-K220 VanDerWaalsContact O-CB 3.28Å; G216-K220 WeakPolarHBondContact O-CB 3.32Å; G216-K220 PolarHBondContact O-N 3.35Å
217	E	92.8	Very high	94	Very high	39 Å²	39	48.1 Å²	48.1	18%	0.182	24%	0.24	C	C	.	.	H	α-helix	trans	-66.9	-44.8	176	-70.7	-172.3	-167.8	0	0	112.7	K213 L214 F215 K220 T221 R341 K397 Y461	K213-E217 PolarHBondContact O-N 3.05Å; L214-E217 WeakPolarHBondContact O-CB 3.44Å; L214-E217 PolarHBondContact O-N 3.2Å; F215-E217 VanDerWaalsContact C-N 3.32Å; F215-E217 PolarHBondContact O-N 3.44Å; E217-K220 PolarHBondContact O-N 3.06Å; E217-T221 WeakPolarHBondContact O-CB 3.46Å; E217-T221 PolarHBondContact O-N 2.96Å; E217-T221 PolarHBondContact O-OG1 3.2Å; E217-R341 IonicContact OE2-NH2 3.9Å; E217-K397 IonicContact OE2-NZ 3.55Å; E217-K397 PolarHBondContact OE2-NZ 2.81Å; E217-Y461 PolarHBondContact OE1-OH 3.13Å
218	L	96.3	Very high	94.1	Very high	2 Å²	2	45 Å²	45	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-64.3	-46	177.8	-62.8	179.5	0	0	0	110.5	L214 F215 K220 T221 F222 I228 M256 I259 F330 L337 V339	L214-L218 HydrophobicContact CD1-CD1 4.09Å; L214-L218 HydrophobicContact CD1-CD2 4.21Å; L214-L218 HydrophobicContact CD1-CG 3.98Å; L214-L218 HydrophobicContact CD2-CD1 4.48Å; L214-L218 HydrophobicContact CG-CD1 3.95Å; L214-L218 HydrophobicContact CG-CG 4.21Å; L214-L218 WeakPolarHBondContact O-CG 3.32Å; L214-L218 PolarHBondContact O-N 3.44Å; F215-L218 PolarHBondContact O-N 3.26Å; L218-K220 PolarHBondContact O-N 3.04Å; L218-T221 WeakPolarHBondContact O-CB 3.5Å; L218-T221 PolarHBondContact O-N 2.93Å; L218-T221 VanDerWaalsContact O-N 3.11Å; L218-F222 WeakPolarHBondContact O-CB 3.48Å; L218-F222 PolarHBondContact O-N 3.14Å; L218-I228 HydrophobicContact CB-CD1 4.09Å; L218-I228 HydrophobicContact CD2-CD1 3.96Å; L218-I228 HydrophobicContact CD2-CG2 4.35Å; L218-M256 HydrophobicContact CD1-CE 4.31Å; L218-I259 HydrophobicContact CB-CD1 3.84Å; L218-F330 HydrophobicContact CD1-CE1 4.2Å; L218-L337 HydrophobicContact CD1-CD1 4.04Å; L218-L337 HydrophobicContact CD2-CD1 4.21Å; L218-V339 HydrophobicContact CD2-CG2 3.75Å
219	Y	95.7	Very high	94.2	Very high	99 Å²	99	40.7 Å²	40.7	39%	0.388	20%	0.198	S	C	.	.	H	α-helix	trans	-59.5	-47.4	177.6	-177.9	-95.7	0	0	0	111.5	F215 T221 F222 T223 I259	F215-Y219 HydrophobicContact CE1-CD2 4.28Å; F215-Y219 HydrophobicContact CE1-CG 4.32Å; F215-Y219 HydrophobicContact CZ-CD2 4.48Å; F215-Y219 WeakPolarHBondContact O-CB 3.35Å; F215-Y219 PolarHBondContact O-N 3.48Å; Y219-T221 VanDerWaalsContact C-N 3.29Å; Y219-T221 PolarHBondContact O-N 3.46Å; Y219-F222 PolarHBondContact O-N 3.33Å; Y219-T223 HydrophobicContact CD1-CG2 4.24Å; Y219-T223 HydrophobicContact CD2-CG2 4.41Å; Y219-T223 HydrophobicContact CE1-CG2 3.88Å; Y219-T223 HydrophobicContact CE2-CG2 4.04Å; Y219-T223 HydrophobicContact CG-CG2 4.49Å; Y219-T223 WeakPolarHBondContact O-CB 3.24Å; Y219-T223 VanDerWaalsContact O-CG2 3.29Å; Y219-T223 WeakPolarHBondContact O-CG2 3.39Å; Y219-T223 PolarHBondContact O-N 3.35Å; Y219-T223 PolarHBondContact O-OG1 3.01Å; Y219-I259 HydrophobicContact CD2-CG1 4.27Å; Y219-I259 HydrophobicContact CD2-CG2 3.98Å; Y219-I259 WeakPolarHBondContact CE2-O 3.31Å
220	K	92.2	Very high	94.2	Very high	71 Å²	71	32.7 Å²	32.7	31%	0.309	16%	0.161	S	C	.	.	H	α-helix	trans	-61.8	-38.2	175.4	-176.9	179.5	-177	177.6	0	112	G216 E217 L218 T223 K224 E489	G216-K220 VanDerWaalsContact O-CB 3.28Å; G216-K220 WeakPolarHBondContact O-CB 3.32Å; G216-K220 PolarHBondContact O-N 3.35Å; E217-K220 PolarHBondContact O-N 3.06Å; L218-K220 PolarHBondContact O-N 3.04Å; K220-T223 WeakPolarHBondContact CA-OG1 3.22Å; K220-T223 PolarHBondContact O-OG1 2.84Å; K220-K224 WeakPolarHBondContact O-CB 3.13Å; K220-K224 VanDerWaalsContact O-CG 3.29Å; K220-K224 WeakPolarHBondContact O-CG 3.25Å; K220-K224 PolarHBondContact O-N 3.31Å; K220-E489 WeakPolarHBondContact CE-OE1 3.41Å; K220-E489 IonicContact NZ-OE1 3.26Å; K220-E489 PolarHBondContact NZ-OE1 2.73Å; K220-E489 IonicContact NZ-OE2 2.82Å; K220-E489 PolarHBondContact NZ-OE2 3.48Å
221	T	92.5	Very high	94.2	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.025	15%	0.152	C	C	.	.	H	α-helix	trans	-67.8	-49.7	179.6	-55.2	0	0	0	0	110.9	E217 L218 Y219 K224 G226 I228 V339 R341	E217-T221 WeakPolarHBondContact O-CB 3.46Å; E217-T221 PolarHBondContact O-N 2.96Å; E217-T221 PolarHBondContact O-OG1 3.2Å; L218-T221 WeakPolarHBondContact O-CB 3.5Å; L218-T221 PolarHBondContact O-N 2.93Å; L218-T221 VanDerWaalsContact O-N 3.11Å; Y219-T221 VanDerWaalsContact C-N 3.29Å; Y219-T221 PolarHBondContact O-N 3.46Å; T221-K224 PolarHBondContact O-N 3.03Å; T221-G226 VanDerWaalsContact O-CA 3.31Å; T221-G226 WeakPolarHBondContact O-CA 3.29Å; T221-G226 PolarHBondContact O-N 2.62Å; T221-I228 HydrophobicContact CG2-CD1 4.49Å; T221-V339 HydrophobicContact CG2-CG1 3.74Å; T221-R341 HydrophobicContact CG2-CG 3.99Å; T221-R341 PolarHBondContact OG1-NH1 3.18Å
222	F	93.4	Very high	94	Very high	38 Å²	38	30.5 Å²	30.5	17%	0.167	15%	0.152	C	C	.	.	H	α-helix	trans	-61.9	-47.5	-179.8	-171.4	-92.1	0	0	0	111.7	V92 L218 Y219 K224 G225 I228 M256 T257 I259	V92-F222 HydrophobicContact CG1-CE2 4.12Å; V92-F222 HydrophobicContact CG1-CZ 4.34Å; L218-F222 WeakPolarHBondContact O-CB 3.48Å; L218-F222 PolarHBondContact O-N 3.14Å; Y219-F222 PolarHBondContact O-N 3.33Å; F222-K224 PolarHBondContact O-N 3.09Å; F222-G225 WeakPolarHBondContact O-CA 3.35Å; F222-G225 PolarHBondContact O-N 3.11Å; F222-I228 HydrophobicContact CB-CD1 4.29Å; F222-M256 HydrophobicContact CD2-SD 4.13Å; F222-T257 WeakPolarHBondContact CZ-O 3.37Å; F222-I259 HydrophobicContact CB-CG2 3.57Å; F222-I259 HydrophobicContact CD1-CG2 3.61Å; F222-I259 HydrophobicContact CD2-CG2 4.4Å; F222-I259 HydrophobicContact CE1-CG2 4.42Å; F222-I259 HydrophobicContact CG-CG2 3.6Å
223	T	91.4	Very high	93.5	Very high	80 Å²	80	30.8 Å²	30.8	49%	0.491	16%	0.157	S	C	.	.	H	α-helix	trans	-65.2	-23.8	179.4	51.8	0	0	0	0	114	Y219 K220 G225	Y219-T223 HydrophobicContact CD1-CG2 4.24Å; Y219-T223 HydrophobicContact CD2-CG2 4.41Å; Y219-T223 HydrophobicContact CE1-CG2 3.88Å; Y219-T223 HydrophobicContact CE2-CG2 4.04Å; Y219-T223 HydrophobicContact CG-CG2 4.49Å; Y219-T223 WeakPolarHBondContact O-CB 3.24Å; Y219-T223 VanDerWaalsContact O-CG2 3.29Å; Y219-T223 WeakPolarHBondContact O-CG2 3.39Å; Y219-T223 PolarHBondContact O-N 3.35Å; Y219-T223 PolarHBondContact O-OG1 3.01Å; K220-T223 WeakPolarHBondContact CA-OG1 3.22Å; K220-T223 PolarHBondContact O-OG1 2.84Å; T223-G225 PolarHBondContact O-N 3.24Å
224	K	89.9	Confident	92.9	Very high	47 Å²	47	28.7 Å²	28.7	20%	0.204	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	6.7	169.7	-70.6	-172.3	-173.6	-153.8	0	113.3	K220 T221 F222 N342 I347 E352	K220-K224 WeakPolarHBondContact O-CB 3.13Å; K220-K224 VanDerWaalsContact O-CG 3.29Å; K220-K224 WeakPolarHBondContact O-CG 3.25Å; K220-K224 PolarHBondContact O-N 3.31Å; T221-K224 PolarHBondContact O-N 3.03Å; F222-K224 PolarHBondContact O-N 3.09Å; K224-N342 WeakPolarHBondContact O-CB 3.42Å; K224-N342 PolarHBondContact O-ND2 2.72Å; K224-N342 VanDerWaalsContact O-ND2 3.07Å; K224-I347 HydrophobicContact CD-CD1 4.32Å; K224-I347 VanDerWaalsContact CE-CD1 3.43Å; K224-E352 IonicContact NZ-OE1 2.88Å; K224-E352 PolarHBondContact NZ-OE1 2.88Å; K224-E352 IonicContact NZ-OE2 3.3Å
225	G	91.6	Very high	92	Very high	5 Å²	5	33.3 Å²	33.3	5%	0.052	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	25.7	-175.9	0	0	0	0	0	113.4	H96 F222 T223	H96-G225 PolarHBondContact NE2-O 2.79Å; F222-G225 WeakPolarHBondContact O-CA 3.35Å; F222-G225 PolarHBondContact O-N 3.11Å; T223-G225 PolarHBondContact O-N 3.24Å
226	G	93.8	Very high	91.2	Very high	3 Å²	3	36.3 Å²	36.3	3%	0.031	20%	0.199	C	C	.	.			trans	-75.2	156.6	168.2	0	0	0	0	0	111.5	T221 C340	T221-G226 VanDerWaalsContact O-CA 3.31Å; T221-G226 WeakPolarHBondContact O-CA 3.29Å; T221-G226 PolarHBondContact O-N 2.62Å; G226-C340 CarbonylContact C-O 3.56Å; G226-C340 WeakPolarHBondContact CA-O 3.46Å
227	L	95.3	Very high	90.1	Very high	3 Å²	3	43 Å²	43	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	139.3	179.6	-59.5	176.8	0	0	0	109.5	C89 V92 Q93 I186 T190 C340	C89-L227 WeakPolarHBondContact O-CD2 3.19Å; V92-L227 HydrophobicContact CB-CD2 4.26Å; Q93-L227 HydrophobicContact CB-CD2 3.9Å; I186-L227 HydrophobicContact CG2-CB 4.5Å; I186-L227 HydrophobicContact CG2-CD1 3.89Å; T190-L227 HydrophobicContact CG2-CD1 3.86Å; L227-C340 HydrophobicContact CB-CB 4.18Å; L227-C340 PolarHBondContact N-O 3.44Å; L227-C340 WeakPolarHBondContact O-CA 3.24Å; L227-C340 WeakPolarHBondContact O-CB 3.45Å; L227-C340 PolarHBondContact O-N 3.27Å
228	I	96.4	Very high	89.1	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	129	-178.8	-53.8	160.9	0	0	0	108.6	L218 T221 F222 M256 N338 V339	L218-I228 HydrophobicContact CB-CD1 4.09Å; L218-I228 HydrophobicContact CD2-CD1 3.96Å; L218-I228 HydrophobicContact CD2-CG2 4.35Å; T221-I228 HydrophobicContact CG2-CD1 4.49Å; F222-I228 HydrophobicContact CB-CD1 4.29Å; I228-M256 HydrophobicContact CB-CB 4.12Å; I228-M256 HydrophobicContact CB-CE 3.61Å; I228-M256 HydrophobicContact CB-SD 4.21Å; I228-M256 HydrophobicContact CD1-CE 3.6Å; I228-M256 HydrophobicContact CD1-SD 3.71Å; I228-M256 HydrophobicContact CG1-CE 4.2Å; I228-M256 HydrophobicContact CG2-CE 3.39Å; I228-M256 WeakPolarHBondContact O-CB 3.42Å; I228-M256 PolarHBondContact O-N 3.13Å; I228-N338 WeakPolarHBondContact CA-O 3.48Å; I228-V339 HydrophobicContact CG1-CG1 4.35Å; I228-V339 HydrophobicContact CG2-CG2 4.22Å
229	C	95.3	Very high	88.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.8	175.2	-31.1	0	0	0	0	108	C89 I182 I186 T253 Y254 N338	C89-C229 WeakPolarHBondContact CB-SG 3.25Å; C89-C229 WeakPolarHBondContact SG-CB 3.18Å; C89-C229 CovalentContact SG-SG 2.08Å; C89-C229 PolarHBondContact SG-SG 3.19Å; I182-C229 HydrophobicContact CD1-CB 4.09Å; I186-C229 WeakPolarHBondContact CD1-SG 3.39Å; C229-T253 HydrophobicContact CB-CG2 3.78Å; C229-Y254 CarbonylContact C-O 3.5Å; C229-Y254 VanDerWaalsContact CA-O 3.22Å; C229-Y254 WeakPolarHBondContact CA-O 3.49Å; C229-Y254 WeakPolarHBondContact CB-O 3.3Å; C229-N338 PolarHBondContact N-O 3.48Å; C229-N338 PolarHBondContact O-N 3.35Å
230	C	95.1	Very high	87.1	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.007	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	150.9	-173.6	56.3	0	0	0	0	111.2	T253 Y254 F330 F334 K336 L337	C230-T253 CarbonylContact O-C 3.59Å; C230-T253 WeakPolarHBondContact O-CA 3.42Å; C230-Y254 PolarHBondContact N-O 3.19Å; C230-Y254 PolarHBondContact O-N 2.78Å; C230-F330 HydrophobicContact CB-CE2 4.17Å; C230-F330 HydrophobicContact CB-CZ 4.28Å; C230-F334 HydrophobicContact CB-CD1 3.74Å; C230-F334 HydrophobicContact CB-CE1 4.22Å; C230-F334 HydrophobicContact CB-CG 4.23Å; C230-F334 WeakPolarHBondContact SG-CE1 3.32Å; C230-K336 CarbonylContact C-O 3.57Å; C230-K336 WeakPolarHBondContact CA-O 3.35Å; C230-L337 HydrophobicContact CB-CD2 3.4Å
231	S	93.3	Very high	86.4	Confident	16 Å²	16	51.6 Å²	51.6	11%	0.112	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	151.4	-177.1	57.7	0	0	0	0	112.1	H252 H335 K336	S231-H252 WeakPolarHBondContact CA-O 3.35Å; S231-H252 VanDerWaalsContact CB-O 3.31Å; S231-H252 WeakPolarHBondContact CB-O 3.3Å; S231-H335 PolarHBondContact O-N 3.38Å; S231-H335 VanDerWaalsContact O-N 3.1Å; S231-K336 PolarHBondContact N-O 3.32Å; S231-K336 PolarHBondContact O-N 3.42Å; S231-K336 VanDerWaalsContact O-N 3.16Å
232	I	91.4	Very high	86.1	Confident	7 Å²	7	54.4 Å²	54.4	4%	0.036	28%	0.282	C	S	.	.			trans	-96.8	123.4	171.6	-53.3	-178.7	0	0	0	106.6	L248 K250 G251 F334 H335	I232-L248 HydrophobicContact CD1-CB 3.47Å; I232-L248 VanDerWaalsContact CD1-CB 3.47Å; I232-L248 HydrophobicContact CD1-CD1 3.87Å; I232-L248 HydrophobicContact CD1-CG 4.28Å; I232-K250 HydrophobicContact CG2-CG 4.13Å; I232-G251 VanDerWaalsContact O-CA 3.32Å; I232-G251 WeakPolarHBondContact O-CA 3.3Å; I232-G251 PolarHBondContact O-N 3.18Å; I232-F334 HydrophobicContact CD1-CE1 4.46Å; I232-F334 HydrophobicContact CG1-CD1 3.93Å; I232-F334 HydrophobicContact CG1-CE1 4.02Å; I232-H335 WeakPolarHBondContact CG2-ND1 3.43Å
233	E	85.8	Confident	85.8	Confident	106 Å²	106	57.3 Å²	57.3	50%	0.495	30%	0.296	S	S	.	.			trans	-67.6	145	175.8	-73.1	-174.4	170.2	0	0	110.8	H335	E233-H335 HydrophobicContact CB-CB 4.11Å; E233-H335 HydrophobicContact CG-CB 3.85Å; E233-H335 PolarHBondContact N-ND1 2.87Å; E233-H335 VanDerWaalsContact N-ND1 3.15Å
234	S	81.6	Confident	85.6	Confident	33 Å²	33	55 Å²	55	23%	0.231	28%	0.281	C	S	.	.			trans	-114.7	131.9	171.9	-172.9	0	0	0	0	108.3	N236 E239	S234-N236 PolarHBondContact O-N 3.09Å; S234-N236 PolarHBondContact OG-O 3.26Å; S234-N236 VanDerWaalsContact OG-O 3.04Å; S234-E239 VanDerWaalsContact OG-CB 3.29Å; S234-E239 WeakPolarHBondContact OG-CB 3.39Å; S234-E239 PolarHBondContact OG-O 3.41Å
235	P	75.3	Confident	85.5	Confident	100 Å²	100	60.3 Å²	60.3	65%	0.649	31%	0.312	S	S	*	.	S	Bend	trans	-69	-23.5	-174.9	26.7	-33.8	0	0	0	113	E239	P235-E239 HydrophobicContact CG-CB 4.49Å; P235-E239 WeakPolarHBondContact CG-OE2 3.42Å
236	N	80	Confident	85.3	Confident	69 Å²	69	65.6 Å²	65.6	37%	0.369	33%	0.33	S	S	.	.	S	Bend	trans	-153.3	169.7	-178.3	53.7	48	0	0	0	110.7	S234 E238 E239	S234-N236 PolarHBondContact O-N 3.09Å; S234-N236 PolarHBondContact OG-O 3.26Å; S234-N236 VanDerWaalsContact OG-O 3.04Å; N236-E238 VanDerWaalsContact C-N 3.29Å; N236-E238 PolarHBondContact O-N 3.48Å; N236-E238 PolarHBondContact OD1-N 3.22Å; N236-E239 PolarHBondContact ND2-OE1 2.79Å; N236-E239 PolarHBondContact O-N 3.04Å; N236-E239 VanDerWaalsContact OD1-CB 3.3Å; N236-E239 WeakPolarHBondContact OD1-CB 3.37Å; N236-E239 WeakPolarHBondContact OD1-CG 3.45Å; N236-E239 PolarHBondContact OD1-N 3.27Å
237	Q	72.6	Confident	85.1	Confident	177 Å²	177	65.5 Å²	65.5	83%	0.827	33%	0.33	S	S	*	.	S	Bend	trans	-69.3	-26.2	-178.7	-70.3	-177.1	-11.4	0	0	113.1	E239 Q240	Q237-E239 VanDerWaalsContact C-N 3.33Å; Q237-Q240 VanDerWaalsContact O-CB 3.3Å; Q237-Q240 WeakPolarHBondContact O-CB 3.46Å; Q237-Q240 PolarHBondContact O-N 3.15Å
238	E	73.3	Confident	84.8	Confident	179 Å²	179	65.4 Å²	65.4	84%	0.836	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-30.5	-180	-64.2	177.8	-176.8	0	0	112	N236 Q240	N236-E238 VanDerWaalsContact C-N 3.29Å; N236-E238 PolarHBondContact O-N 3.48Å; N236-E238 PolarHBondContact OD1-N 3.22Å; E238-Q240 VanDerWaalsContact C-N 3.3Å
239	E	73.5	Confident	84.5	Confident	61 Å²	61	65.3 Å²	65.3	29%	0.285	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	10.7	174.2	-71.7	-175.9	-133.8	0	0	113.4	S234 P235 N236 Q237 K250	S234-E239 VanDerWaalsContact OG-CB 3.29Å; S234-E239 WeakPolarHBondContact OG-CB 3.39Å; S234-E239 PolarHBondContact OG-O 3.41Å; P235-E239 HydrophobicContact CG-CB 4.49Å; P235-E239 WeakPolarHBondContact CG-OE2 3.42Å; N236-E239 PolarHBondContact ND2-OE1 2.79Å; N236-E239 PolarHBondContact O-N 3.04Å; N236-E239 VanDerWaalsContact OD1-CB 3.3Å; N236-E239 WeakPolarHBondContact OD1-CB 3.37Å; N236-E239 WeakPolarHBondContact OD1-CG 3.45Å; N236-E239 PolarHBondContact OD1-N 3.27Å; Q237-E239 VanDerWaalsContact C-N 3.33Å; E239-K250 WeakPolarHBondContact O-CB 3.28Å; E239-K250 IonicContact OE2-NZ 3.76Å; E239-K250 PolarHBondContact OE2-NZ 3.45Å
240	Q	76.1	Confident	84.2	Confident	85 Å²	85	68 Å²	68	40%	0.397	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	135.9	175.1	-165.8	174	13.1	0	0	110.1	Q237 E238 V242	Q237-Q240 VanDerWaalsContact O-CB 3.3Å; Q237-Q240 WeakPolarHBondContact O-CB 3.46Å; Q237-Q240 PolarHBondContact O-N 3.15Å; E238-Q240 VanDerWaalsContact C-N 3.3Å; Q240-V242 PolarHBondContact O-N 2.7Å
241	E	78.1	Confident	83.7	Confident	68 Å²	68	69.3 Å²	69.3	32%	0.318	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	20.8	-175.4	-62.1	177.8	164.4	0	0	114	K81 L249 K250	K81-E241 VanDerWaalsContact CE-OE1 3.3Å; K81-E241 WeakPolarHBondContact CE-OE1 3.43Å; K81-E241 IonicContact NZ-OE1 3.42Å; K81-E241 PolarHBondContact NZ-OE1 3.43Å; K81-E241 IonicContact NZ-OE2 3.17Å; K81-E241 PolarHBondContact NZ-OE2 2.96Å; E241-L249 WeakPolarHBondContact O-CD2 3.47Å; E241-K250 PolarHBondContact N-O 2.83Å
242	V	84.9	Confident	83.4	Confident	63 Å²	63	69.1 Å²	69.1	38%	0.382	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-78.6	130.4	165.7	175.5	0	0	0	0	108.9	Q240 K250	Q240-V242 PolarHBondContact O-N 2.7Å; V242-K250 PolarHBondContact O-N 2.85Å
243	E	87.3	Confident	83.3	Confident	98 Å²	98	70 Å²	70	46%	0.458	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-71.6	135.3	177.2	-160	171.6	151.5	0	0	110.3	G247 L248 L249 Q289	E243-G247 WeakPolarHBondContact OE1-CA 3.1Å; E243-L248 CarbonylContact C-O 3.52Å; E243-L248 WeakPolarHBondContact CA-O 3.07Å; E243-L249 HydrophobicContact CB-CD2 4.22Å; E243-Q289 PolarHBondContact OE2-NE2 2.79Å
244	T	88.1	Confident	83.6	Confident	32 Å²	32	64.9 Å²	64.9	20%	0.196	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-77.3	168.3	169.5	67	0	0	0	0	109.8	W246 G247 L248 K250	T244-W246 PolarHBondContact O-N 2.99Å; T244-W246 PolarHBondContact OG1-N 3.23Å; T244-G247 PolarHBondContact O-N 3.15Å; T244-L248 HydrophobicContact CG2-CB 4.4Å; T244-L248 WeakPolarHBondContact CG2-O 3.19Å; T244-L248 PolarHBondContact N-O 2.88Å; T244-L248 PolarHBondContact OG1-N 2.88Å; T244-L248 VanDerWaalsContact OG1-N 3.16Å; T244-L248 PolarHBondContact OG1-O 2.93Å; T244-K250 HydrophobicContact CG2-CG 4.17Å
245	D	86.3	Confident	84.1	Confident	158 Å²	158	63.3 Å²	63.3	85%	0.845	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-17.7	175.6	-55.8	-28.3	0	0	0	113.6
246	W	88.6	Confident	85	Confident	116 Å²	116	58.7 Å²	58.7	44%	0.439	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	15.9	-179.6	-58.6	114.9	0	0	0	114.2	T244 L248 W291 S292	T244-W246 PolarHBondContact O-N 2.99Å; T244-W246 PolarHBondContact OG1-N 3.23Å; W246-L248 PolarHBondContact O-N 3.16Å; W246-W291 HydrophobicContact CB-CE3 3.7Å; W246-W291 HydrophobicContact CB-CH2 4.08Å; W246-W291 HydrophobicContact CB-CZ3 3.36Å; W246-W291 HydrophobicContact CG-CH2 4.13Å; W246-W291 AromaticContact CG-CZ3 3.86Å; W246-W291 HydrophobicContact CG-CZ3 3.86Å; W246-W291 WeakPolarHBondContact O-CA 3.27Å; W246-S292 VanDerWaalsContact CA-OG 3.3Å; W246-S292 WeakPolarHBondContact CA-OG 3.36Å; W246-S292 PolarHBondContact O-N 2.82Å; W246-S292 PolarHBondContact O-OG 2.62Å
247	G	88.3	Confident	85.5	Confident	2 Å²	2	55.8 Å²	55.8	2%	0.021	28%	0.277	C	S	.	.	S	Bend	trans	84.9	2.2	174.2	0	0	0	0	0	116.1	E243 T244	E243-G247 WeakPolarHBondContact OE1-CA 3.1Å; T244-G247 PolarHBondContact O-N 3.15Å
248	L	90.3	Very high	86.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-87.1	147.3	179.2	-57.4	174.9	0	0	0	111.3	I232 E243 T244 W246 Y254 W291 F323 M325 N333 F334	I232-L248 HydrophobicContact CD1-CB 3.47Å; I232-L248 VanDerWaalsContact CD1-CB 3.47Å; I232-L248 HydrophobicContact CD1-CD1 3.87Å; I232-L248 HydrophobicContact CD1-CG 4.28Å; E243-L248 CarbonylContact C-O 3.52Å; E243-L248 WeakPolarHBondContact CA-O 3.07Å; T244-L248 HydrophobicContact CG2-CB 4.4Å; T244-L248 WeakPolarHBondContact CG2-O 3.19Å; T244-L248 PolarHBondContact N-O 2.88Å; T244-L248 PolarHBondContact OG1-N 2.88Å; T244-L248 VanDerWaalsContact OG1-N 3.16Å; T244-L248 PolarHBondContact OG1-O 2.93Å; W246-L248 PolarHBondContact O-N 3.16Å; L248-Y254 WeakPolarHBondContact CA-OH 3.27Å; L248-Y254 HydrophobicContact CD2-CE1 4.11Å; L248-W291 HydrophobicContact CD1-CE3 3.78Å; L248-W291 HydrophobicContact CD1-CZ3 3.87Å; L248-W291 HydrophobicContact CD2-CB 4.4Å; L248-W291 HydrophobicContact CD2-CE3 4.19Å; L248-W291 HydrophobicContact CG-CE3 3.88Å; L248-W291 HydrophobicContact CG-CZ3 4.36Å; L248-F323 HydrophobicContact CD2-CE1 4.32Å; L248-F323 HydrophobicContact CD2-CE2 4.12Å; L248-F323 HydrophobicContact CD2-CZ 3.6Å; L248-M325 HydrophobicContact CD1-CE 4.48Å; L248-N333 HydrophobicContact CD1-CB 3.84Å; L248-F334 HydrophobicContact CD1-CE2 4.26Å; L248-F334 HydrophobicContact CD1-CZ 4.25Å
249	L	89	Confident	87.5	Confident	1 Å²	1	40 Å²	40	1%	0.005	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-95.8	125.3	-179.5	-64.2	175	0	0	0	111.2	E241 E243 H252 Y254	E241-L249 WeakPolarHBondContact O-CD2 3.47Å; E243-L249 HydrophobicContact CB-CD2 4.22Å; L249-H252 HydrophobicContact CB-CB 3.64Å; L249-H252 WeakPolarHBondContact O-CB 3.43Å; L249-Y254 PolarHBondContact N-OH 3.02Å
250	K	89.1	Confident	88.4	Confident	55 Å²	55	41 Å²	41	24%	0.239	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	144.3	169.7	-66.2	179.6	179.5	173.2	0	110.9	I232 E239 E241 V242 T244 H252	I232-K250 HydrophobicContact CG2-CG 4.13Å; E239-K250 WeakPolarHBondContact O-CB 3.28Å; E239-K250 IonicContact OE2-NZ 3.76Å; E239-K250 PolarHBondContact OE2-NZ 3.45Å; E241-K250 PolarHBondContact N-O 2.83Å; V242-K250 PolarHBondContact O-N 2.85Å; T244-K250 HydrophobicContact CG2-CG 4.17Å; K250-H252 PolarHBondContact O-N 3.29Å
251	G	84.9	Confident	89.1	Confident	29 Å²	29	42.4 Å²	42.4	30%	0.299	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	14	-179.6	0	0	0	0	0	114.4	I232	I232-G251 VanDerWaalsContact O-CA 3.32Å; I232-G251 WeakPolarHBondContact O-CA 3.3Å; I232-G251 PolarHBondContact O-N 3.18Å
252	H	86.3	Confident	89.7	Confident	12 Å²	12	40 Å²	40	6%	0.056	20%	0.199	C	C	.	.			trans	-110.2	153.2	180	-168	51	0	0	0	112	S231 L249 K250 Y254 N284	S231-H252 WeakPolarHBondContact CA-O 3.35Å; S231-H252 VanDerWaalsContact CB-O 3.31Å; S231-H252 WeakPolarHBondContact CB-O 3.3Å; L249-H252 HydrophobicContact CB-CB 3.64Å; L249-H252 WeakPolarHBondContact O-CB 3.43Å; K250-H252 PolarHBondContact O-N 3.29Å; H252-Y254 HydrophobicContact CB-CE2 4.28Å; H252-Y254 AromaticContact CD2-CE2 3.85Å; H252-Y254 AromaticContact CD2-CZ 3.99Å; H252-N284 PolarHBondContact NE2-OD1 2.77Å
253	T	89.5	Confident	89.7	Confident	25 Å²	25	46.4 Å²	46.4	15%	0.153	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.6	179	-57.8	0	0	0	0	111.4	I182 C229 C230 P285	I182-T253 HydrophobicContact CD1-CG2 3.62Å; C229-T253 HydrophobicContact CB-CG2 3.78Å; C230-T253 CarbonylContact O-C 3.59Å; C230-T253 WeakPolarHBondContact O-CA 3.42Å; T253-P285 WeakPolarHBondContact O-CD 3.32Å; T253-P285 WeakPolarHBondContact O-CG 3.21Å
254	Y	91.8	Very high	89.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	146.4	174.3	-67.1	-99.4	0	0	0	110.2	C229 C230 L248 L249 H252 R283 N284 F323 F334	C229-Y254 CarbonylContact C-O 3.5Å; C229-Y254 VanDerWaalsContact CA-O 3.22Å; C229-Y254 WeakPolarHBondContact CA-O 3.49Å; C229-Y254 WeakPolarHBondContact CB-O 3.3Å; C230-Y254 PolarHBondContact N-O 3.19Å; C230-Y254 PolarHBondContact O-N 2.78Å; L248-Y254 WeakPolarHBondContact CA-OH 3.27Å; L248-Y254 HydrophobicContact CD2-CE1 4.11Å; L249-Y254 PolarHBondContact N-OH 3.02Å; H252-Y254 HydrophobicContact CB-CE2 4.28Å; H252-Y254 AromaticContact CD2-CE2 3.85Å; H252-Y254 AromaticContact CD2-CZ 3.99Å; Y254-R283 VanDerWaalsContact CA-O 3.31Å; Y254-R283 WeakPolarHBondContact CA-O 3.46Å; Y254-N284 HydrophobicContact CD1-CB 4.19Å; Y254-N284 HydrophobicContact CE1-CB 3.84Å; Y254-F323 AromaticContact CD1-CE1 3.93Å; Y254-F323 HydrophobicContact CD1-CE1 3.93Å; Y254-F323 AromaticContact CD1-CZ 3.87Å; Y254-F323 HydrophobicContact CD1-CZ 3.87Å; Y254-F323 AromaticContact CE1-CE1 3.85Å; Y254-F323 HydrophobicContact CE1-CE1 3.85Å; Y254-F323 AromaticContact CE1-CZ 3.94Å; Y254-F323 HydrophobicContact CE1-CZ 3.94Å; Y254-F334 AromaticContact CD2-CE1 3.71Å; Y254-F334 HydrophobicContact CD2-CE1 3.71Å; Y254-F334 HydrophobicContact CD2-CZ 4.2Å; Y254-F334 HydrophobicContact CE2-CE1 4.41Å; Y254-F334 HydrophobicContact CG-CE1 4.07Å; Y254-F334 HydrophobicContact CG-CZ 4.26Å
255	T	92.1	Very high	89.3	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.3	178.3	-60.2	0	0	0	0	109.5	S88 C89 V92 T257 L282 R283	S88-T255 WeakPolarHBondContact OG-CB 3.46Å; S88-T255 PolarHBondContact OG-OG1 3.43Å; C89-T255 HydrophobicContact CB-CG2 4.16Å; C89-T255 VanDerWaalsContact SG-CG2 3.55Å; C89-T255 PolarHBondContact SG-OG1 2.7Å; V92-T255 HydrophobicContact CG2-CG2 3.54Å; T255-T257 HydrophobicContact CG2-CG2 4.18Å; T255-L282 CarbonylContact O-C 3.53Å; T255-L282 VanDerWaalsContact O-CA 3.31Å; T255-L282 WeakPolarHBondContact O-CA 3.47Å; T255-R283 PolarHBondContact N-O 3.38Å; T255-R283 PolarHBondContact O-N 3.27Å
256	M	94.3	Very high	89.1	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	123.5	169.8	-172.1	-170.1	-51.6	0	0	110.1	L218 F222 I228 I259 I280 R281 L282	L218-M256 HydrophobicContact CD1-CE 4.31Å; F222-M256 HydrophobicContact CD2-SD 4.13Å; I228-M256 HydrophobicContact CB-CB 4.12Å; I228-M256 HydrophobicContact CB-CE 3.61Å; I228-M256 HydrophobicContact CB-SD 4.21Å; I228-M256 HydrophobicContact CD1-CE 3.6Å; I228-M256 HydrophobicContact CD1-SD 3.71Å; I228-M256 HydrophobicContact CG1-CE 4.2Å; I228-M256 HydrophobicContact CG2-CE 3.39Å; I228-M256 WeakPolarHBondContact O-CB 3.42Å; I228-M256 PolarHBondContact O-N 3.13Å; M256-I259 HydrophobicContact SD-CB 4.05Å; M256-I259 HydrophobicContact SD-CD1 4.37Å; M256-I259 HydrophobicContact SD-CG2 4.3Å; M256-I280 HydrophobicContact CE-CG2 4.41Å; M256-I280 HydrophobicContact CG-CG2 4.06Å; M256-I280 HydrophobicContact SD-CG2 4.46Å; M256-R281 WeakPolarHBondContact CA-O 3.41Å; M256-L282 HydrophobicContact CB-CD2 3.97Å; M256-L282 HydrophobicContact CG-CD2 4.29Å
257	T	92.1	Very high	89	Confident	9 Å²	9	43.6 Å²	43.6	6%	0.055	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-13.3	-175.8	68.7	0	0	0	0	113.2	N70 V92 F222 T255 R281 R283 E322	N70-T257 WeakPolarHBondContact ND2-CG2 3.3Å; V92-T257 HydrophobicContact CG2-CG2 4.13Å; F222-T257 WeakPolarHBondContact CZ-O 3.37Å; T255-T257 HydrophobicContact CG2-CG2 4.18Å; T257-R281 PolarHBondContact N-O 3.29Å; T257-R281 PolarHBondContact O-NH2 2.82Å; T257-R281 WeakPolarHBondContact OG1-CG 3.08Å; T257-R281 PolarHBondContact OG1-NE 3.23Å; T257-R283 HydrophobicContact CG2-CB 3.64Å; T257-E322 WeakPolarHBondContact CB-OE1 3.23Å; T257-E322 VanDerWaalsContact CG2-OE1 3.27Å; T257-E322 WeakPolarHBondContact CG2-OE1 3.28Å; T257-E322 PolarHBondContact OG1-OE1 2.81Å
258	D	92	Very high	88.7	Confident	21 Å²	21	44 Å²	44	11%	0.112	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	157.6	167.4	-155.8	-10.3	0	0	0	110.7	R260 R281 W324	D258-R260 IonicContact OD1-NE 2.88Å; D258-R260 IonicContact OD2-CZ 2.8Å; D258-R260 VanDerWaalsContact OD2-CZ 3.3Å; D258-R260 IonicContact OD2-NE 3.21Å; D258-R260 PolarHBondContact OD2-NE 3.1Å; D258-R260 IonicContact OD2-NH2 3.84Å; D258-R260 PolarHBondContact OD2-NH2 3.08Å; D258-R281 HydrophobicContact CB-CB 3.81Å; D258-R281 PolarHBondContact N-O 3.49Å; D258-R281 PolarHBondContact O-N 3.03Å; D258-W324 HydrophobicContact CB-CH2 3.66Å; D258-W324 HydrophobicContact CB-CZ2 4.19Å; D258-W324 HydrophobicContact CB-CZ3 4.41Å
259	I	94.2	Very high	88.4	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	124.9	173.9	-176.1	168.5	0	0	0	109.6	F215 L218 Y219 F222 M256 I280	F215-I259 HydrophobicContact CD2-CD1 3.96Å; F215-I259 HydrophobicContact CD2-CG1 4.31Å; F215-I259 HydrophobicContact CE1-CG1 4.46Å; F215-I259 HydrophobicContact CE2-CD1 3.69Å; F215-I259 HydrophobicContact CE2-CG1 3.54Å; F215-I259 HydrophobicContact CZ-CD1 3.99Å; F215-I259 HydrophobicContact CZ-CG1 3.62Å; L218-I259 HydrophobicContact CB-CD1 3.84Å; Y219-I259 HydrophobicContact CD2-CG1 4.27Å; Y219-I259 HydrophobicContact CD2-CG2 3.98Å; Y219-I259 WeakPolarHBondContact CE2-O 3.31Å; F222-I259 HydrophobicContact CB-CG2 3.57Å; F222-I259 HydrophobicContact CD1-CG2 3.61Å; F222-I259 HydrophobicContact CD2-CG2 4.4Å; F222-I259 HydrophobicContact CE1-CG2 4.42Å; F222-I259 HydrophobicContact CG-CG2 3.6Å; M256-I259 HydrophobicContact SD-CB 4.05Å; M256-I259 HydrophobicContact SD-CD1 4.37Å; M256-I259 HydrophobicContact SD-CG2 4.3Å; I259-I280 HydrophobicContact CD1-CG1 4.32Å; I259-I280 HydrophobicContact CG1-CG1 4.25Å
260	R	92.4	Very high	88	Confident	82 Å²	82	53.7 Å²	53.7	31%	0.309	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	134.5	-171.5	-65.1	-172.2	-179.4	-133.7	-0.3	112.7	F215 D258 I262 M279 L313 G314 W324	F215-R260 WeakPolarHBondContact CZ-O 3.49Å; D258-R260 IonicContact OD1-NE 2.88Å; D258-R260 IonicContact OD2-CZ 2.8Å; D258-R260 VanDerWaalsContact OD2-CZ 3.3Å; D258-R260 IonicContact OD2-NE 3.21Å; D258-R260 PolarHBondContact OD2-NE 3.1Å; D258-R260 IonicContact OD2-NH2 3.84Å; D258-R260 PolarHBondContact OD2-NH2 3.08Å; R260-I262 HydrophobicContact CB-CD1 4.03Å; R260-I262 HydrophobicContact CB-CG1 3.83Å; R260-M279 PolarHBondContact N-O 2.9Å; R260-M279 PolarHBondContact O-N 2.99Å; R260-L313 PolarHBondContact NH1-O 3.31Å; R260-G314 PolarHBondContact NE-O 2.79Å; R260-G314 VanDerWaalsContact NH1-CA 3.29Å; R260-G314 PolarHBondContact NH1-O 3.41Å; R260-G314 VanDerWaalsContact NH1-O 3.08Å; R260-G314 PolarHBondContact NH2-O 2.89Å; R260-W324 HydrophobicContact CB-CH2 4.49Å; R260-W324 HydrophobicContact CB-CZ3 4.43Å; R260-W324 HydrophobicContact CG-CH2 3.87Å; R260-W324 HydrophobicContact CG-CZ3 4.26Å
261	K	91.8	Very high	87.6	Confident	114 Å²	114	53.5 Å²	53.5	50%	0.496	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	108.4	165	-179.6	178.6	-177.2	171.8	0	108	F215 L277 Y278	F215-K261 HydrophobicContact CE1-CB 4.02Å; F215-K261 HydrophobicContact CZ-CB 4.25Å; K261-L277 WeakPolarHBondContact CA-O 3.44Å; K261-Y278 HydrophobicContact CD-CE1 3.83Å; K261-Y278 HydrophobicContact CG-CD1 4.19Å; K261-Y278 HydrophobicContact CG-CE1 3.83Å
262	I	89.4	Confident	87.5	Confident	18 Å²	18	54 Å²	54	9%	0.092	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.4	-170.5	-53	165.4	0	0	0	108.6	R260 K276 L277 M279 L313 L315	R260-I262 HydrophobicContact CB-CD1 4.03Å; R260-I262 HydrophobicContact CB-CG1 3.83Å; I262-K276 CarbonylContact O-C 3.48Å; I262-K276 WeakPolarHBondContact O-CA 3.26Å; I262-L277 HydrophobicContact CB-CB 4.43Å; I262-L277 PolarHBondContact N-O 3.49Å; I262-L277 PolarHBondContact O-N 3.11Å; I262-M279 HydrophobicContact CD1-CG 3.99Å; I262-L313 HydrophobicContact CD1-CB 4.33Å; I262-L313 HydrophobicContact CG2-CB 4.4Å; I262-L313 HydrophobicContact CG2-CD2 3.32Å; I262-L313 HydrophobicContact CG2-CG 4.42Å; I262-L315 HydrophobicContact CD1-CD1 4.23Å; I262-L315 HydrophobicContact CD1-CD2 3.77Å; I262-L315 HydrophobicContact CD1-CG 4.03Å
263	R	86.2	Confident	87.5	Confident	197 Å²	197	58.7 Å²	58.7	74%	0.743	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	126.7	172.1	-172.4	175	-175.1	153.5	2.1	108.5
264	L	85.2	Confident	87.1	Confident	11 Å²	11	59 Å²	59	6%	0.058	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-83.5	141	-179.8	-63.9	-179.2	0	0	0	110.3	L268 V269 F272 A274 E275 L277 L313	L264-L268 HydrophobicContact CB-CB 4.06Å; L264-L268 HydrophobicContact CD1-CB 4.49Å; L264-L268 HydrophobicContact CD2-CB 4.02Å; L264-L268 HydrophobicContact CD2-CD1 4.08Å; L264-L268 HydrophobicContact CG-CB 4.41Å; L264-V269 HydrophobicContact CB-CG2 3.82Å; L264-F272 HydrophobicContact CD1-CB 3.99Å; L264-F272 HydrophobicContact CD1-CD2 3.84Å; L264-F272 HydrophobicContact CD1-CG 4.34Å; L264-A274 WeakPolarHBondContact CD1-O 3.46Å; L264-E275 PolarHBondContact N-O 3.47Å; L264-L277 HydrophobicContact CD1-CD1 4.12Å; L264-L277 HydrophobicContact CD1-CD2 4.02Å; L264-L277 HydrophobicContact CD1-CG 3.7Å; L264-L277 HydrophobicContact CD2-CD1 3.82Å; L264-L277 HydrophobicContact CD2-CG 3.98Å; L264-L277 HydrophobicContact CG-CD1 4.38Å; L264-L277 HydrophobicContact CG-CG 4.02Å; L264-L313 HydrophobicContact CD2-CD2 3.93Å
265	G	81.6	Confident	86.9	Confident	46 Å²	46	65 Å²	65	47%	0.474	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-78.6	161.4	168.6	0	0	0	0	0	110.8	R267 L268 V269	G265-R267 VanDerWaalsContact C-N 3.29Å; G265-R267 PolarHBondContact O-N 3.43Å; G265-R267 VanDerWaalsContact O-N 3.1Å; G265-L268 WeakPolarHBondContact O-CA 3.43Å; G265-L268 PolarHBondContact O-N 3.16Å; G265-V269 WeakPolarHBondContact O-CG2 3.37Å; G265-V269 PolarHBondContact O-N 3.19Å
266	E	82.8	Confident	86.7	Confident	175 Å²	175	68.8 Å²	68.8	82%	0.818	34%	0.34	S	S	*	.	H	α-helix	trans	-44.6	-49.6	-171.6	-66.4	176.7	172.2	0	0	113.6	L268 V269 E270	E266-L268 VanDerWaalsContact C-N 3.34Å; E266-L268 PolarHBondContact O-N 3.28Å; E266-V269 WeakPolarHBondContact O-CB 3.25Å; E266-V269 PolarHBondContact O-N 2.8Å; E266-V269 VanDerWaalsContact O-N 3.15Å; E266-E270 PolarHBondContact O-N 3.22Å
267	R	84.8	Confident	86.5	Confident	112 Å²	112	69.6 Å²	69.6	42%	0.423	34%	0.344	S	S	.	.	H	α-helix	trans	-57	-43.1	177.1	-170.8	-174.3	66.7	80.5	1.7	113.4	G265 V271 D309	G265-R267 VanDerWaalsContact C-N 3.29Å; G265-R267 PolarHBondContact O-N 3.43Å; G265-R267 VanDerWaalsContact O-N 3.1Å; R267-V271 VanDerWaalsContact O-CG2 3.29Å; R267-V271 WeakPolarHBondContact O-CG2 3.46Å; R267-V271 PolarHBondContact O-N 2.81Å; R267-D309 IonicContact CZ-OD1 3.99Å; R267-D309 IonicContact CZ-OD2 3.72Å; R267-D309 IonicContact NH2-OD1 2.77Å; R267-D309 PolarHBondContact NH2-OD1 3.03Å; R267-D309 IonicContact NH2-OD2 2.61Å; R267-D309 PolarHBondContact NH2-OD2 3.25Å
268	L	82.2	Confident	86.6	Confident	11 Å²	11	71.2 Å²	71.2	6%	0.058	35%	0.35	C	S	.	.	H	α-helix	trans	-79	-23	-179.1	-66.5	-177.6	0	0	0	112.4	L264 G265 E266 E270 V271 F272 L305 D309 L313	L264-L268 HydrophobicContact CB-CB 4.06Å; L264-L268 HydrophobicContact CD1-CB 4.49Å; L264-L268 HydrophobicContact CD2-CB 4.02Å; L264-L268 HydrophobicContact CD2-CD1 4.08Å; L264-L268 HydrophobicContact CG-CB 4.41Å; G265-L268 WeakPolarHBondContact O-CA 3.43Å; G265-L268 PolarHBondContact O-N 3.16Å; E266-L268 VanDerWaalsContact C-N 3.34Å; E266-L268 PolarHBondContact O-N 3.28Å; L268-E270 VanDerWaalsContact C-N 3.32Å; L268-V271 PolarHBondContact O-N 2.91Å; L268-F272 HydrophobicContact CB-CD2 4.25Å; L268-F272 HydrophobicContact CB-CE2 4.43Å; L268-F272 HydrophobicContact CD2-CE2 4.03Å; L268-F272 WeakPolarHBondContact O-CD2 3.49Å; L268-F272 PolarHBondContact O-N 3.24Å; L268-L305 HydrophobicContact CD1-CD2 4.13Å; L268-L305 HydrophobicContact CD2-CD2 3.68Å; L268-D309 HydrophobicContact CD1-CB 4.45Å; L268-L313 HydrophobicContact CD1-CD1 4.3Å; L268-L313 HydrophobicContact CD1-CD2 4.17Å
269	V	84.4	Confident	86.7	Confident	45 Å²	45	70.3 Å²	70.3	27%	0.273	35%	0.345	S	S	.	.	H	α-helix	trans	-64.4	-41.3	171.1	176.8	0	0	0	0	110.2	L264 G265 E266 S273 A274	L264-V269 HydrophobicContact CB-CG2 3.82Å; G265-V269 WeakPolarHBondContact O-CG2 3.37Å; G265-V269 PolarHBondContact O-N 3.19Å; E266-V269 WeakPolarHBondContact O-CB 3.25Å; E266-V269 PolarHBondContact O-N 2.8Å; E266-V269 VanDerWaalsContact O-N 3.15Å; V269-S273 WeakPolarHBondContact O-CA 3.18Å; V269-S273 PolarHBondContact O-N 3.32Å; V269-A274 PolarHBondContact O-N 2.69Å
270	E	80.4	Confident	86.8	Confident	159 Å²	159	70.1 Å²	70.1	74%	0.743	34%	0.344	S	S	*	.	H	α-helix	trans	-63.9	-42.3	174.5	-67.2	176.4	175.5	0	0	111.7	E266 L268	E266-E270 PolarHBondContact O-N 3.22Å; L268-E270 VanDerWaalsContact C-N 3.32Å
271	V	81.3	Confident	86.8	Confident	51 Å²	51	68.3 Å²	68.3	31%	0.309	34%	0.337	S	S	.	.	H	α-helix	trans	-65.2	-49.7	-179.4	173.2	0	0	0	0	112.1	R267 L268 Q304	R267-V271 VanDerWaalsContact O-CG2 3.29Å; R267-V271 WeakPolarHBondContact O-CG2 3.46Å; R267-V271 PolarHBondContact O-N 2.81Å; L268-V271 PolarHBondContact O-N 2.91Å; V271-Q304 HydrophobicContact CG1-CB 4.04Å
272	F	83.8	Confident	86.8	Confident	39 Å²	39	62.9 Å²	62.9	17%	0.171	31%	0.313	C	S	.	.	H	α-helix	trans	-98.1	-1.1	-174.4	-62	-63.3	0	0	0	114.1	L264 L268 A274 W295 E301 L305	L264-F272 HydrophobicContact CD1-CB 3.99Å; L264-F272 HydrophobicContact CD1-CD2 3.84Å; L264-F272 HydrophobicContact CD1-CG 4.34Å; L268-F272 HydrophobicContact CB-CD2 4.25Å; L268-F272 HydrophobicContact CB-CE2 4.43Å; L268-F272 HydrophobicContact CD2-CE2 4.03Å; L268-F272 WeakPolarHBondContact O-CD2 3.49Å; L268-F272 PolarHBondContact O-N 3.24Å; F272-A274 PolarHBondContact O-N 2.91Å; F272-A274 VanDerWaalsContact O-N 3.13Å; F272-W295 HydrophobicContact CD1-CZ2 4.28Å; F272-W295 AromaticContact CE1-CH2 3.89Å; F272-W295 HydrophobicContact CE1-CH2 3.89Å; F272-W295 AromaticContact CE1-CZ2 3.95Å; F272-W295 HydrophobicContact CE1-CZ2 3.95Å; F272-W295 HydrophobicContact CE2-CH2 4.24Å; F272-W295 AromaticContact CZ-CH2 3.71Å; F272-W295 HydrophobicContact CZ-CH2 3.71Å; F272-W295 HydrophobicContact CZ-CZ2 4.24Å; F272-E301 HydrophobicContact CE1-CB 3.99Å; F272-E301 HydrophobicContact CE1-CG 4.25Å; F272-L305 HydrophobicContact CE2-CD2 3.77Å; F272-L305 HydrophobicContact CE2-CG 4.48Å; F272-L305 HydrophobicContact CZ-CD2 3.87Å; F272-L305 HydrophobicContact CZ-CG 4.1Å
273	S	84.3	Confident	86.7	Confident	112 Å²	112	62.1 Å²	62.1	78%	0.783	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	33.7	-174.8	-62.5	0	0	0	0	113.5	V269	V269-S273 WeakPolarHBondContact O-CA 3.18Å; V269-S273 PolarHBondContact O-N 3.32Å
274	A	83.1	Confident	86.7	Confident	31 Å²	31	52.7 Å²	52.7	26%	0.256	27%	0.274	S	S	.	.			trans	-145.7	140.7	-176	0	0	0	0	0	111.5	L264 V269 F272 K276	L264-A274 WeakPolarHBondContact CD1-O 3.46Å; V269-A274 PolarHBondContact O-N 2.69Å; F272-A274 PolarHBondContact O-N 2.91Å; F272-A274 VanDerWaalsContact O-N 3.13Å; A274-K276 VanDerWaalsContact C-N 3.35Å
275	E	85.9	Confident	86.3	Confident	127 Å²	127	52.2 Å²	52.2	59%	0.593	27%	0.271	S	S	*	.	S	Bend	trans	-76	-25.6	174.5	-65.9	-171.2	166.7	0	0	113.1	L264	L264-E275 PolarHBondContact N-O 3.47Å
276	K	89.3	Confident	85.9	Confident	78 Å²	78	52.2 Å²	52.2	34%	0.339	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	141.4	-172.4	-64	172.5	-172.3	146.7	0	110.6	I262 A274 Y278	I262-K276 CarbonylContact O-C 3.48Å; I262-K276 WeakPolarHBondContact O-CA 3.26Å; A274-K276 VanDerWaalsContact C-N 3.35Å; K276-Y278 HydrophobicContact CB-CE2 4.05Å
277	L	90.2	Very high	85.3	Confident	19 Å²	19	45.7 Å²	45.7	10%	0.099	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	140.4	168.5	-60.6	179.5	0	0	0	110.3	K261 I262 L264 M279 W295	K261-L277 WeakPolarHBondContact CA-O 3.44Å; I262-L277 HydrophobicContact CB-CB 4.43Å; I262-L277 PolarHBondContact N-O 3.49Å; I262-L277 PolarHBondContact O-N 3.11Å; L264-L277 HydrophobicContact CD1-CD1 4.12Å; L264-L277 HydrophobicContact CD1-CD2 4.02Å; L264-L277 HydrophobicContact CD1-CG 3.7Å; L264-L277 HydrophobicContact CD2-CD1 3.82Å; L264-L277 HydrophobicContact CD2-CG 3.98Å; L264-L277 HydrophobicContact CG-CD1 4.38Å; L264-L277 HydrophobicContact CG-CG 4.02Å; L277-M279 HydrophobicContact CB-CG 3.98Å; L277-M279 HydrophobicContact CB-SD 4.09Å; L277-W295 HydrophobicContact CD1-CH2 3.57Å; L277-W295 HydrophobicContact CD1-CZ2 3.69Å; L277-W295 HydrophobicContact CD2-CZ2 4.4Å
278	Y	94.1	Very high	84.7	Confident	44 Å²	44	46.7 Å²	46.7	17%	0.173	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	99.7	176	-64.7	-93	0	0	0	107	Y212 F215 K261 K276 L327	Y212-Y278 HydrophobicContact CD1-CD1 4.25Å; Y212-Y278 HydrophobicContact CD1-CD2 4.23Å; Y212-Y278 HydrophobicContact CD1-CE1 4.03Å; Y212-Y278 AromaticContact CD1-CE2 3.99Å; Y212-Y278 HydrophobicContact CD1-CE2 3.99Å; Y212-Y278 HydrophobicContact CD1-CG 4.34Å; Y212-Y278 AromaticContact CD1-CZ 3.88Å; Y212-Y278 HydrophobicContact CE1-CD1 4.27Å; Y212-Y278 AromaticContact CE1-CD2 3.47Å; Y212-Y278 HydrophobicContact CE1-CD2 3.47Å; Y212-Y278 VanDerWaalsContact CE1-CD2 3.47Å; Y212-Y278 HydrophobicContact CE1-CE1 4.21Å; Y212-Y278 AromaticContact CE1-CE2 3.37Å; Y212-Y278 HydrophobicContact CE1-CE2 3.37Å; Y212-Y278 AromaticContact CE1-CG 3.92Å; Y212-Y278 HydrophobicContact CE1-CG 3.92Å; Y212-Y278 AromaticContact CE1-CZ 3.76Å; F215-Y278 AromaticContact CD1-CD1 3.58Å; F215-Y278 HydrophobicContact CD1-CD1 3.58Å; F215-Y278 HydrophobicContact CD1-CE1 4.12Å; F215-Y278 HydrophobicContact CD2-CD1 4.11Å; F215-Y278 AromaticContact CE1-CD1 3.58Å; F215-Y278 HydrophobicContact CE1-CD1 3.58Å; F215-Y278 HydrophobicContact CE1-CE1 4.22Å; F215-Y278 HydrophobicContact CE2-CD1 4.07Å; F215-Y278 HydrophobicContact CE2-CG 4.44Å; F215-Y278 AromaticContact CG-CD1 3.88Å; F215-Y278 HydrophobicContact CG-CD1 3.88Å; F215-Y278 AromaticContact CZ-CD1 3.82Å; F215-Y278 HydrophobicContact CZ-CD1 3.82Å; K261-Y278 HydrophobicContact CD-CE1 3.83Å; K261-Y278 HydrophobicContact CG-CD1 4.19Å; K261-Y278 HydrophobicContact CG-CE1 3.83Å; K276-Y278 HydrophobicContact CB-CE2 4.05Å; Y278-L327 PolarHBondContact O-N 2.76Å
279	M	94.1	Very high	84.1	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	139.5	-168.1	-58.6	-54.9	-66.6	0	0	110.3	R260 I262 L277 W295 L315 W324	R260-M279 PolarHBondContact N-O 2.9Å; R260-M279 PolarHBondContact O-N 2.99Å; I262-M279 HydrophobicContact CD1-CG 3.99Å; L277-M279 HydrophobicContact CB-CG 3.98Å; L277-M279 HydrophobicContact CB-SD 4.09Å; M279-W295 HydrophobicContact CE-CB 4.1Å; M279-W295 HydrophobicContact CE-CD2 3.46Å; M279-W295 VanDerWaalsContact CE-CD2 3.46Å; M279-W295 HydrophobicContact CE-CE3 3.86Å; M279-W295 HydrophobicContact CE-CG 3.57Å; M279-W295 HydrophobicContact CE-CZ2 4.5Å; M279-W295 HydrophobicContact SD-CD2 4.45Å; M279-L315 HydrophobicContact CB-CD2 4.33Å; M279-L315 HydrophobicContact CG-CD2 4.39Å; M279-W324 HydrophobicContact CB-CE3 3.69Å; M279-W324 HydrophobicContact CB-CZ3 3.79Å; M279-W324 HydrophobicContact CE-CB 4.25Å
280	I	94.9	Very high	83.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.8	175.8	-61.3	171	0	0	0	107.1	F215 M256 I259 L282 W324 M325 L327 F330	F215-I280 HydrophobicContact CE2-CG1 4.43Å; M256-I280 HydrophobicContact CE-CG2 4.41Å; M256-I280 HydrophobicContact CG-CG2 4.06Å; M256-I280 HydrophobicContact SD-CG2 4.46Å; I259-I280 HydrophobicContact CD1-CG1 4.32Å; I259-I280 HydrophobicContact CG1-CG1 4.25Å; I280-L282 HydrophobicContact CG2-CD2 3.71Å; I280-L282 HydrophobicContact CG2-CG 3.97Å; I280-W324 WeakPolarHBondContact O-CA 3.28Å; I280-M325 PolarHBondContact N-O 3.22Å; I280-M325 PolarHBondContact O-N 2.73Å; I280-L327 HydrophobicContact CD1-CD1 4.1Å; I280-F330 HydrophobicContact CD1-CB 3.8Å; I280-F330 HydrophobicContact CD1-CD1 3.48Å; I280-F330 VanDerWaalsContact CD1-CD1 3.48Å; I280-F330 HydrophobicContact CD1-CD2 3.94Å; I280-F330 HydrophobicContact CD1-CE1 3.94Å; I280-F330 HydrophobicContact CD1-CE2 4.36Å; I280-F330 HydrophobicContact CD1-CG 3.46Å; I280-F330 VanDerWaalsContact CD1-CG 3.46Å; I280-F330 HydrophobicContact CD1-CZ 4.33Å; I280-F330 HydrophobicContact CG2-CD2 4.33Å; I280-F330 HydrophobicContact CG2-CE2 4.41Å
281	R	93.1	Very high	84.1	Confident	44 Å²	44	43 Å²	43	17%	0.166	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	124.4	171	-166.5	173.6	56.4	170.5	-4.8	109.2	M256 T257 D258 E322 F323 W324	M256-R281 WeakPolarHBondContact CA-O 3.41Å; T257-R281 PolarHBondContact N-O 3.29Å; T257-R281 PolarHBondContact O-NH2 2.82Å; T257-R281 WeakPolarHBondContact OG1-CG 3.08Å; T257-R281 PolarHBondContact OG1-NE 3.23Å; D258-R281 HydrophobicContact CB-CB 3.81Å; D258-R281 PolarHBondContact N-O 3.49Å; D258-R281 PolarHBondContact O-N 3.03Å; R281-E322 VanDerWaalsContact CD-OE2 3.28Å; R281-E322 WeakPolarHBondContact CD-OE2 3.36Å; R281-E322 HydrophobicContact CG-CB 4.43Å; R281-E322 IonicContact CZ-OE2 3.22Å; R281-E322 IonicContact NE-OE1 2.78Å; R281-E322 IonicContact NE-OE2 3.29Å; R281-E322 PolarHBondContact NE-OE2 3.11Å; R281-E322 IonicContact NH1-OE2 3.32Å; R281-E322 PolarHBondContact NH1-OE2 2.92Å; R281-E322 IonicContact NH2-OE2 2.69Å; R281-F323 WeakPolarHBondContact CA-O 3.23Å; R281-W324 HydrophobicContact CB-CD2 3.74Å; R281-W324 HydrophobicContact CB-CE3 3.68Å; R281-W324 HydrophobicContact CB-CG 4.47Å; R281-W324 HydrophobicContact CB-CH2 3.8Å; R281-W324 HydrophobicContact CB-CZ2 3.84Å; R281-W324 HydrophobicContact CB-CZ3 3.72Å; R281-W324 HydrophobicContact CG-CD2 4.05Å; R281-W324 HydrophobicContact CG-CE3 4.49Å; R281-W324 HydrophobicContact CG-CG 4.38Å; R281-W324 HydrophobicContact CG-CZ2 4.23Å
282	L	91.9	Very high	84.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	159.6	178.7	-62	-178.7	0	0	0	110.1	T255 M256 I280 E322 F323 M325 F330 F334	T255-L282 CarbonylContact O-C 3.53Å; T255-L282 VanDerWaalsContact O-CA 3.31Å; T255-L282 WeakPolarHBondContact O-CA 3.47Å; M256-L282 HydrophobicContact CB-CD2 3.97Å; M256-L282 HydrophobicContact CG-CD2 4.29Å; I280-L282 HydrophobicContact CG2-CD2 3.71Å; I280-L282 HydrophobicContact CG2-CG 3.97Å; L282-E322 CarbonylContact O-C 3.52Å; L282-E322 WeakPolarHBondContact O-CA 3.45Å; L282-F323 HydrophobicContact CB-CD2 4.42Å; L282-F323 HydrophobicContact CB-CE1 4.32Å; L282-F323 HydrophobicContact CB-CE2 3.81Å; L282-F323 HydrophobicContact CB-CZ 3.75Å; L282-F323 HydrophobicContact CD1-CE2 4.08Å; L282-F323 HydrophobicContact CD1-CZ 4.26Å; L282-F323 HydrophobicContact CG-CE2 4.41Å; L282-F323 PolarHBondContact N-O 2.74Å; L282-F323 PolarHBondContact O-N 2.95Å; L282-M325 HydrophobicContact CD1-SD 3.97Å; L282-F330 HydrophobicContact CD1-CD2 3.98Å; L282-F330 HydrophobicContact CD1-CE2 4.02Å; L282-F330 HydrophobicContact CD2-CE2 4.24Å; L282-F334 HydrophobicContact CD1-CD2 4.27Å; L282-F334 HydrophobicContact CD1-CE1 4.19Å; L282-F334 HydrophobicContact CD1-CE2 3.34Å; L282-F334 HydrophobicContact CD1-CZ 3.29Å
283	R	87.5	Confident	84.6	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.4	177.7	179.4	174.8	-174.9	66.4	19.5	110.6	N70 H71 Y254 T255 T257 P285 D320 G321 E322	N70-R283 VanDerWaalsContact ND2-CD 3.34Å; N70-R283 WeakPolarHBondContact ND2-CD 3.34Å; N70-R283 PolarHBondContact O-NE 3.15Å; N70-R283 PolarHBondContact OD1-NE 3.16Å; H71-R283 VanDerWaalsContact CA-NH2 3.31Å; H71-R283 PolarHBondContact CE1-NH1 3.08Å; H71-R283 PolarHBondContact ND1-NH1 2.88Å; H71-R283 PolarHBondContact ND1-NH2 3.17Å; H71-R283 VanDerWaalsContact ND1-NH2 3.12Å; Y254-R283 VanDerWaalsContact CA-O 3.31Å; Y254-R283 WeakPolarHBondContact CA-O 3.46Å; T255-R283 PolarHBondContact N-O 3.38Å; T255-R283 PolarHBondContact O-N 3.27Å; T257-R283 HydrophobicContact CG2-CB 3.64Å; R283-P285 WeakPolarHBondContact O-CD 3.44Å; R283-D320 PolarHBondContact NH1-O 3.26Å; R283-D320 IonicContact NH1-OD1 2.82Å; R283-D320 PolarHBondContact NH1-OD1 3.38Å; R283-D320 VanDerWaalsContact NH1-OD1 3.09Å; R283-D320 PolarHBondContact NH2-O 2.84Å; R283-G321 WeakPolarHBondContact CA-O 3.14Å; R283-E322 HydrophobicContact CB-CG 4.14Å; R283-E322 HydrophobicContact CG-CG 4.23Å
284	N	86.1	Confident	84.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.196	C	C	.	.			trans	-81.5	117.2	161	-173.1	-19.8	0	0	0	109.3	H252 Y254 L286 G287 R288 G321	H252-N284 PolarHBondContact NE2-OD1 2.77Å; Y254-N284 HydrophobicContact CD1-CB 4.19Å; Y254-N284 HydrophobicContact CE1-CB 3.84Å; N284-L286 PolarHBondContact O-N 2.9Å; N284-L286 VanDerWaalsContact O-N 3.09Å; N284-L286 WeakPolarHBondContact OD1-CB 3.39Å; N284-L286 PolarHBondContact OD1-N 3.47Å; N284-G287 PolarHBondContact O-N 3.28Å; N284-R288 PolarHBondContact ND2-O 2.92Å; N284-G321 PolarHBondContact N-O 3.05Å; N284-G321 VanDerWaalsContact N-O 3.14Å
285	P	76.7	Confident	85.1	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.006	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-27	178.5	-27.2	36.3	0	0	0	114.4	V84 T253 R283 G287	V84-P285 HydrophobicContact CG1-CB 4.17Å; T253-P285 WeakPolarHBondContact O-CD 3.32Å; T253-P285 WeakPolarHBondContact O-CG 3.21Å; R283-P285 WeakPolarHBondContact O-CD 3.44Å; P285-G287 VanDerWaalsContact C-N 3.28Å; P285-G287 PolarHBondContact O-N 3.15Å
286	L	73.1	Confident	85	Confident	45 Å²	45	31.5 Å²	31.5	24%	0.236	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-6.3	178.3	-58.9	178.9	0	0	0	113.5	N284 R288	N284-L286 PolarHBondContact O-N 2.9Å; N284-L286 VanDerWaalsContact O-N 3.09Å; N284-L286 WeakPolarHBondContact OD1-CB 3.39Å; N284-L286 PolarHBondContact OD1-N 3.47Å; L286-R288 VanDerWaalsContact C-N 3.27Å; L286-R288 HydrophobicContact CB-CG 4.18Å; L286-R288 PolarHBondContact O-N 3.22Å
287	G	70.6	Confident	84.3	Confident	38 Å²	38	33.3 Å²	33.3	39%	0.392	17%	0.169	S	C	.	.	S	Bend	trans	64.2	25.1	176.9	0	0	0	0	0	115.1	N284 P285	N284-G287 PolarHBondContact O-N 3.28Å; P285-G287 VanDerWaalsContact C-N 3.28Å; P285-G287 PolarHBondContact O-N 3.15Å
288	R	71.8	Confident	83.7	Confident	134 Å²	134	38.7 Å²	38.7	51%	0.506	20%	0.196	S	C	.	.			trans	-136.5	161.6	178.7	67.3	-177.5	-175.3	-174.8	0.1	111.1	N284 L286	N284-R288 PolarHBondContact ND2-O 2.92Å; L286-R288 VanDerWaalsContact C-N 3.27Å; L286-R288 HydrophobicContact CB-CG 4.18Å; L286-R288 PolarHBondContact O-N 3.22Å
289	Q	68.9	Low	83.3	Confident	72 Å²	72	37.1 Å²	37.1	34%	0.336	19%	0.192	S	C	.	.			trans	55.3	92.6	173.7	-69.1	166.6	-48	0	0	112.8	E243	E243-Q289 PolarHBondContact OE2-NE2 2.79Å
290	E	76.6	Confident	82.8	Confident	57 Å²	57	43.8 Å²	43.8	27%	0.266	22%	0.223	S	C	.	.			trans	-100.9	160.8	-174.2	-62.6	-175.1	-178.2	0	0	112.2	S292 G321	E290-S292 PolarHBondContact O-N 3.28Å; E290-G321 WeakPolarHBondContact OE1-CA 3.42Å; E290-G321 PolarHBondContact OE1-N 3.27Å
291	W	88	Confident	82.2	Confident	7 Å²	7	45.9 Å²	45.9	3%	0.027	23%	0.233	C	C	.	.			trans	-57.1	125.4	173	170.6	-108.3	0	0	0	111.3	W246 L248 P294 S296 F323 M325 D329 N333	W246-W291 HydrophobicContact CB-CE3 3.7Å; W246-W291 HydrophobicContact CB-CH2 4.08Å; W246-W291 HydrophobicContact CB-CZ3 3.36Å; W246-W291 HydrophobicContact CG-CH2 4.13Å; W246-W291 AromaticContact CG-CZ3 3.86Å; W246-W291 HydrophobicContact CG-CZ3 3.86Å; W246-W291 WeakPolarHBondContact O-CA 3.27Å; L248-W291 HydrophobicContact CD1-CE3 3.78Å; L248-W291 HydrophobicContact CD1-CZ3 3.87Å; L248-W291 HydrophobicContact CD2-CB 4.4Å; L248-W291 HydrophobicContact CD2-CE3 4.19Å; L248-W291 HydrophobicContact CG-CE3 3.88Å; L248-W291 HydrophobicContact CG-CZ3 4.36Å; W291-P294 PolarHBondContact NE1-O 2.87Å; W291-S296 WeakPolarHBondContact O-CB 3.45Å; W291-F323 HydrophobicContact CB-CB 4Å; W291-F323 HydrophobicContact CB-CD1 4.05Å; W291-F323 HydrophobicContact CB-CD2 3.26Å; W291-F323 HydrophobicContact CB-CE1 4.34Å; W291-F323 HydrophobicContact CB-CE2 3.61Å; W291-F323 HydrophobicContact CB-CG 3.5Å; W291-F323 VanDerWaalsContact CB-CG 3.5Å; W291-F323 HydrophobicContact CB-CZ 4.14Å; W291-F323 AromaticContact CG-CD2 3.86Å; W291-F323 HydrophobicContact CG-CD2 3.86Å; W291-F323 HydrophobicContact CG-CE2 4.23Å; W291-F323 HydrophobicContact CG-CG 4.45Å; W291-M325 HydrophobicContact CD2-CE 3.65Å; W291-M325 HydrophobicContact CE3-CE 3.64Å; W291-M325 HydrophobicContact CG-CE 4.28Å; W291-M325 HydrophobicContact CH2-CE 3.96Å; W291-M325 HydrophobicContact CZ2-CE 3.95Å; W291-M325 HydrophobicContact CZ3-CE 3.79Å; W291-D329 HydrophobicContact CH2-CB 4.11Å; W291-D329 HydrophobicContact CZ2-CB 3.98Å; W291-N333 WeakPolarHBondContact CH2-ND2 3.31Å
292	S	88.2	Confident	81.6	Confident	56 Å²	56	44 Å²	44	39%	0.392	23%	0.225	S	C	.	.			trans	-106.1	3.8	-179.8	62.5	0	0	0	0	114.2	W246 E290 S296	W246-S292 VanDerWaalsContact CA-OG 3.3Å; W246-S292 WeakPolarHBondContact CA-OG 3.36Å; W246-S292 PolarHBondContact O-N 2.82Å; W246-S292 PolarHBondContact O-OG 2.62Å; E290-S292 PolarHBondContact O-N 3.28Å; S292-S296 PolarHBondContact O-OG 2.77Å
293	G	89	Confident	81.2	Confident	4 Å²	4	50.7 Å²	50.7	4%	0.041	26%	0.257	C	S	.	.	S	Bend	trans	-85.6	-160.5	-179.8	0	0	0	0	0	114.6	W295 S296	G293-W295 PolarHBondContact O-N 3.47Å; G293-S296 WeakPolarHBondContact O-CB 2.83Å; G293-S296 PolarHBondContact O-N 3.31Å; G293-S296 PolarHBondContact O-OG 2.66Å
294	P	89.4	Confident	80.9	Confident	41 Å²	41	54.7 Å²	54.7	27%	0.266	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	134.5	173.9	-31	37.3	0	0	0	112.9	W291 S296 E301	W291-P294 PolarHBondContact NE1-O 2.87Å; P294-S296 PolarHBondContact O-N 3.32Å; P294-E301 WeakPolarHBondContact CB-OE1 3.42Å
295	W	87.4	Confident	80.8	Confident	15 Å²	15	55 Å²	55	6%	0.057	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	12.2	-172.7	-54.2	90.4	0	0	0	116.4	F272 L277 M279 G293 S299 E301 W302 L305 L315	F272-W295 HydrophobicContact CD1-CZ2 4.28Å; F272-W295 AromaticContact CE1-CH2 3.89Å; F272-W295 HydrophobicContact CE1-CH2 3.89Å; F272-W295 AromaticContact CE1-CZ2 3.95Å; F272-W295 HydrophobicContact CE1-CZ2 3.95Å; F272-W295 HydrophobicContact CE2-CH2 4.24Å; F272-W295 AromaticContact CZ-CH2 3.71Å; F272-W295 HydrophobicContact CZ-CH2 3.71Å; F272-W295 HydrophobicContact CZ-CZ2 4.24Å; L277-W295 HydrophobicContact CD1-CH2 3.57Å; L277-W295 HydrophobicContact CD1-CZ2 3.69Å; L277-W295 HydrophobicContact CD2-CZ2 4.4Å; M279-W295 HydrophobicContact CE-CB 4.1Å; M279-W295 HydrophobicContact CE-CD2 3.46Å; M279-W295 VanDerWaalsContact CE-CD2 3.46Å; M279-W295 HydrophobicContact CE-CE3 3.86Å; M279-W295 HydrophobicContact CE-CG 3.57Å; M279-W295 HydrophobicContact CE-CZ2 4.5Å; M279-W295 HydrophobicContact SD-CD2 4.45Å; G293-W295 PolarHBondContact O-N 3.47Å; W295-S299 WeakPolarHBondContact CA-OG 3.4Å; W295-S299 PolarHBondContact N-OG 3.48Å; W295-E301 HydrophobicContact CD2-CB 3.99Å; W295-E301 HydrophobicContact CD2-CG 4.42Å; W295-E301 HydrophobicContact CE3-CB 4.14Å; W295-E301 HydrophobicContact CH2-CB 4.22Å; W295-E301 HydrophobicContact CZ2-CB 4.07Å; W295-E301 HydrophobicContact CZ2-CG 4.32Å; W295-E301 HydrophobicContact CZ3-CB 4.26Å; W295-E301 PolarHBondContact N-OE2 3.06Å; W295-W302 VanDerWaalsContact C-NE1 3.32Å; W295-W302 AromaticContact CE3-NE1 4Å; W295-W302 PolarHBondContact O-NE1 3.1Å; W295-L305 HydrophobicContact CH2-CD1 4.29Å; W295-L305 HydrophobicContact CZ3-CD1 3.78Å; W295-L315 HydrophobicContact CZ3-CD1 4.07Å
296	S	85.1	Confident	81	Confident	4 Å²	4	58.6 Å²	58.6	3%	0.028	30%	0.299	C	S	.	.	S	Bend	trans	-66.5	164.5	162.1	63.5	0	0	0	0	112	W291 S292 G293 P294 I298 S299	W291-S296 WeakPolarHBondContact O-CB 3.45Å; S292-S296 PolarHBondContact O-OG 2.77Å; G293-S296 WeakPolarHBondContact O-CB 2.83Å; G293-S296 PolarHBondContact O-N 3.31Å; G293-S296 PolarHBondContact O-OG 2.66Å; P294-S296 PolarHBondContact O-N 3.32Å; S296-I298 PolarHBondContact O-N 2.89Å; S296-I298 VanDerWaalsContact O-N 3.08Å; S296-S299 VanDerWaalsContact O-CB 3.26Å; S296-S299 WeakPolarHBondContact O-CB 3.47Å; S296-S299 PolarHBondContact O-N 3.18Å; S296-S299 PolarHBondContact O-OG 2.69Å
297	E	74.3	Confident	81.3	Confident	116 Å²	116	60.4 Å²	60.4	54%	0.542	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-36.2	-177.9	-166.5	-176.4	177.9	0	0	113.7	M317	E297-M317 HydrophobicContact CB-CE 3.71Å; E297-M317 HydrophobicContact CB-SD 4.18Å; E297-M317 HydrophobicContact CG-CE 3.89Å; E297-M317 HydrophobicContact CG-SD 4.03Å
298	I	77.6	Confident	81.7	Confident	132 Å²	132	60.4 Å²	60.4	68%	0.677	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	4.8	-177.4	60.5	171.5	0	0	0	113.8	S296 Q303	S296-I298 PolarHBondContact O-N 2.89Å; S296-I298 VanDerWaalsContact O-N 3.08Å; I298-Q303 PolarHBondContact O-NE2 2.82Å
299	S	84.4	Confident	82	Confident	11 Å²	11	55.1 Å²	55.1	8%	0.077	30%	0.303	C	S	.	.			trans	-73.6	152.8	-170.5	95.1	0	0	0	0	113.8	W295 S296 E301 W302 Q303	W295-S299 WeakPolarHBondContact CA-OG 3.4Å; W295-S299 PolarHBondContact N-OG 3.48Å; S296-S299 VanDerWaalsContact O-CB 3.26Å; S296-S299 WeakPolarHBondContact O-CB 3.47Å; S296-S299 PolarHBondContact O-N 3.18Å; S296-S299 PolarHBondContact O-OG 2.69Å; S299-E301 VanDerWaalsContact C-N 3.25Å; S299-E301 WeakPolarHBondContact CB-OE2 3.3Å; S299-E301 PolarHBondContact O-N 2.83Å; S299-E301 PolarHBondContact OG-N 3.47Å; S299-E301 PolarHBondContact OG-OE2 2.8Å; S299-W302 PolarHBondContact O-N 2.63Å; S299-Q303 WeakPolarHBondContact O-CG 3.47Å; S299-Q303 PolarHBondContact O-N 2.88Å
300	E	83.8	Confident	82.6	Confident	140 Å²	140	56 Å²	56	65%	0.654	30%	0.303	S	S	*	.	H	α-helix	trans	-62.1	-33	178.2	-67	-173.6	176.1	0	0	112.2	W302 Q303 Q304	E300-W302 VanDerWaalsContact C-N 3.31Å; E300-W302 PolarHBondContact O-N 3.22Å; E300-Q303 WeakPolarHBondContact O-CB 3.47Å; E300-Q303 PolarHBondContact O-N 3.34Å; E300-Q303 VanDerWaalsContact O-N 3.16Å; E300-Q304 VanDerWaalsContact O-CG 3.31Å; E300-Q304 WeakPolarHBondContact O-CG 3.21Å; E300-Q304 PolarHBondContact O-N 2.88Å; E300-Q304 VanDerWaalsContact O-N 3.07Å; E300-Q304 PolarHBondContact O-NE2 2.77Å
301	E	83.6	Confident	82.7	Confident	45 Å²	45	61.5 Å²	61.5	21%	0.21	33%	0.326	C	S	.	.	H	α-helix	trans	-60.8	-41.3	178.7	-59	83.6	178.2	0	0	111.5	F272 P294 W295 S299 Q304	F272-E301 HydrophobicContact CE1-CB 3.99Å; F272-E301 HydrophobicContact CE1-CG 4.25Å; P294-E301 WeakPolarHBondContact CB-OE1 3.42Å; W295-E301 HydrophobicContact CD2-CB 3.99Å; W295-E301 HydrophobicContact CD2-CG 4.42Å; W295-E301 HydrophobicContact CE3-CB 4.14Å; W295-E301 HydrophobicContact CH2-CB 4.22Å; W295-E301 HydrophobicContact CZ2-CB 4.07Å; W295-E301 HydrophobicContact CZ2-CG 4.32Å; W295-E301 HydrophobicContact CZ3-CB 4.26Å; W295-E301 PolarHBondContact N-OE2 3.06Å; S299-E301 VanDerWaalsContact C-N 3.25Å; S299-E301 WeakPolarHBondContact CB-OE2 3.3Å; S299-E301 PolarHBondContact O-N 2.83Å; S299-E301 PolarHBondContact OG-N 3.47Å; S299-E301 PolarHBondContact OG-OE2 2.8Å; E301-Q304 PolarHBondContact O-N 2.77Å
302	W	80.6	Confident	82.1	Confident	3 Å²	3	67.7 Å²	67.7	1%	0.011	36%	0.36	C	S	.	.	H	α-helix	trans	-69.7	-35.6	175.8	-79.3	105.9	0	0	0	112.4	W295 S299 E300 Q304 L305 R310 L315 M317 W324	W295-W302 VanDerWaalsContact C-NE1 3.32Å; W295-W302 AromaticContact CE3-NE1 4Å; W295-W302 PolarHBondContact O-NE1 3.1Å; S299-W302 PolarHBondContact O-N 2.63Å; E300-W302 VanDerWaalsContact C-N 3.31Å; E300-W302 PolarHBondContact O-N 3.22Å; W302-Q304 PolarHBondContact O-N 2.91Å; W302-L305 HydrophobicContact CE3-CD1 4.12Å; W302-L305 PolarHBondContact O-N 2.73Å; W302-L305 VanDerWaalsContact O-N 3.14Å; W302-R310 HydrophobicContact CE3-CG 3.87Å; W302-R310 HydrophobicContact CZ3-CB 4.14Å; W302-R310 HydrophobicContact CZ3-CG 3.64Å; W302-R310 PolarHBondContact O-NH2 3.37Å; W302-L315 HydrophobicContact CH2-CB 3.36Å; W302-L315 HydrophobicContact CH2-CD1 4.26Å; W302-L315 HydrophobicContact CH2-CG 4.43Å; W302-L315 HydrophobicContact CZ2-CB 4.16Å; W302-L315 HydrophobicContact CZ3-CB 4Å; W302-M317 HydrophobicContact CD2-SD 4.41Å; W302-M317 HydrophobicContact CH2-CG 3.81Å; W302-M317 HydrophobicContact CH2-SD 4.39Å; W302-M317 HydrophobicContact CZ2-CG 3.85Å; W302-M317 HydrophobicContact CZ2-SD 3.97Å; W302-M317 HydrophobicContact CZ3-CG 4.43Å; W302-W324 HydrophobicContact CZ2-CB 4.37Å; W302-W324 AromaticContact CZ2-CD1 3.84Å; W302-W324 HydrophobicContact CZ2-CG 4.29Å
303	Q	81.9	Confident	81.4	Confident	141 Å²	141	65.7 Å²	65.7	66%	0.659	34%	0.344	S	S	*	.	H	α-helix	trans	-64.4	-28.8	176.6	-64.9	178.4	18.7	0	0	112.2	I298 S299 E300 L305	I298-Q303 PolarHBondContact O-NE2 2.82Å; S299-Q303 WeakPolarHBondContact O-CG 3.47Å; S299-Q303 PolarHBondContact O-N 2.88Å; E300-Q303 WeakPolarHBondContact O-CB 3.47Å; E300-Q303 PolarHBondContact O-N 3.34Å; E300-Q303 VanDerWaalsContact O-N 3.16Å; Q303-L305 VanDerWaalsContact C-N 3.28Å; Q303-L305 PolarHBondContact O-N 3.48Å
304	Q	82.8	Confident	80.7	Confident	87 Å²	87	66 Å²	66	41%	0.407	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-9.3	176.6	-67.2	170.9	56.3	0	0	113.8	V271 E300 E301 W302	V271-Q304 HydrophobicContact CG1-CB 4.04Å; E300-Q304 VanDerWaalsContact O-CG 3.31Å; E300-Q304 WeakPolarHBondContact O-CG 3.21Å; E300-Q304 PolarHBondContact O-N 2.88Å; E300-Q304 VanDerWaalsContact O-N 3.07Å; E300-Q304 PolarHBondContact O-NE2 2.77Å; E301-Q304 PolarHBondContact O-N 2.77Å; W302-Q304 PolarHBondContact O-N 2.91Å
305	L	82.3	Confident	79.9	Confident	6 Å²	6	64.3 Å²	64.3	3%	0.031	34%	0.336	C	S	.	.	S	Bend	trans	-100.1	126.4	179	-66.4	178.1	0	0	0	112.1	L268 F272 W295 W302 Q303 D309 R310 L313	L268-L305 HydrophobicContact CD1-CD2 4.13Å; L268-L305 HydrophobicContact CD2-CD2 3.68Å; F272-L305 HydrophobicContact CE2-CD2 3.77Å; F272-L305 HydrophobicContact CE2-CG 4.48Å; F272-L305 HydrophobicContact CZ-CD2 3.87Å; F272-L305 HydrophobicContact CZ-CG 4.1Å; W295-L305 HydrophobicContact CH2-CD1 4.29Å; W295-L305 HydrophobicContact CZ3-CD1 3.78Å; W302-L305 HydrophobicContact CE3-CD1 4.12Å; W302-L305 PolarHBondContact O-N 2.73Å; W302-L305 VanDerWaalsContact O-N 3.14Å; Q303-L305 VanDerWaalsContact C-N 3.28Å; Q303-L305 PolarHBondContact O-N 3.48Å; L305-D309 HydrophobicContact CB-CB 4.29Å; L305-D309 HydrophobicContact CD2-CB 3.92Å; L305-R310 HydrophobicContact CB-CG 3.9Å; L305-R310 HydrophobicContact CD1-CG 4.41Å; L305-R310 PolarHBondContact O-NE 3.24Å; L305-L313 HydrophobicContact CD1-CD1 3.76Å; L305-L313 HydrophobicContact CD2-CD1 3.85Å; L305-L313 HydrophobicContact CG-CD1 4.47Å
306	T	81.8	Confident	79.1	Confident	77 Å²	77	67.9 Å²	67.9	47%	0.472	36%	0.36	S	S	.	.			trans	-69.4	158.9	169.8	71.8	0	0	0	0	110.6	G308 D309 R310	T306-G308 PolarHBondContact O-N 3.33Å; T306-G308 VanDerWaalsContact O-N 3.17Å; T306-D309 VanDerWaalsContact CB-OD2 3.31Å; T306-D309 WeakPolarHBondContact CB-OD2 3.29Å; T306-D309 WeakPolarHBondContact CG2-OD2 3.32Å; T306-D309 PolarHBondContact N-OD2 2.93Å; T306-D309 WeakPolarHBondContact O-CB 3.1Å; T306-D309 PolarHBondContact O-N 3.4Å; T306-D309 PolarHBondContact OG1-N 3.32Å; T306-D309 PolarHBondContact OG1-OD2 2.97Å; T306-R310 WeakPolarHBondContact O-CG 3.45Å; T306-R310 PolarHBondContact O-N 2.92Å
307	A	78.6	Confident	78	Confident	83 Å²	83	70.3 Å²	70.3	69%	0.686	37%	0.371	S	S	*	.	H	α-helix	trans	-55.7	-34.1	174.8	0	0	0	0	0	112.8	K311	A307-K311 PolarHBondContact O-N 2.77Å; A307-K311 VanDerWaalsContact O-N 3.14Å
308	G	79.3	Confident	77.4	Confident	38 Å²	38	66.4 Å²	66.4	39%	0.392	36%	0.357	S	S	.	.	H	α-helix	trans	-64.8	-41.9	173.8	0	0	0	0	0	112.5	T306 K311 N312	T306-G308 PolarHBondContact O-N 3.33Å; T306-G308 VanDerWaalsContact O-N 3.17Å; G308-K311 PolarHBondContact O-N 3.29Å; G308-N312 WeakPolarHBondContact O-CB 3.39Å; G308-N312 PolarHBondContact O-N 3.47Å; G308-N312 PolarHBondContact O-ND2 2.93Å
309	D	79.5	Confident	76.4	Confident	23 Å²	23	67.5 Å²	67.5	12%	0.123	36%	0.364	C	S	.	.	H	α-helix	trans	-63.9	-47.8	176	-55.5	-52.3	0	0	0	111.2	R267 L268 L305 T306 K311 N312 L313	R267-D309 IonicContact CZ-OD1 3.99Å; R267-D309 IonicContact CZ-OD2 3.72Å; R267-D309 IonicContact NH2-OD1 2.77Å; R267-D309 PolarHBondContact NH2-OD1 3.03Å; R267-D309 IonicContact NH2-OD2 2.61Å; R267-D309 PolarHBondContact NH2-OD2 3.25Å; L268-D309 HydrophobicContact CD1-CB 4.45Å; L305-D309 HydrophobicContact CB-CB 4.29Å; L305-D309 HydrophobicContact CD2-CB 3.92Å; T306-D309 VanDerWaalsContact CB-OD2 3.31Å; T306-D309 WeakPolarHBondContact CB-OD2 3.29Å; T306-D309 WeakPolarHBondContact CG2-OD2 3.32Å; T306-D309 PolarHBondContact N-OD2 2.93Å; T306-D309 WeakPolarHBondContact O-CB 3.1Å; T306-D309 PolarHBondContact O-N 3.4Å; T306-D309 PolarHBondContact OG1-N 3.32Å; T306-D309 PolarHBondContact OG1-OD2 2.97Å; D309-K311 VanDerWaalsContact C-N 3.27Å; D309-K311 PolarHBondContact O-N 2.98Å; D309-N312 CarbonylContact O-C 3.59Å; D309-N312 PolarHBondContact O-N 3.16Å; D309-L313 HydrophobicContact CB-CD1 4.45Å; D309-L313 WeakPolarHBondContact O-CB 3.35Å; D309-L313 WeakPolarHBondContact O-CG 3.28Å; D309-L313 PolarHBondContact O-N 3.32Å
310	R	79.8	Confident	75.5	Confident	90 Å²	90	69.2 Å²	69.2	34%	0.34	37%	0.372	S	S	.	.	H	α-helix	trans	-55.7	-45.1	179.5	-60.7	-179.3	-172.4	-166.8	-1.2	111.3	W302 L305 T306 G314 L315	W302-R310 HydrophobicContact CE3-CG 3.87Å; W302-R310 HydrophobicContact CZ3-CB 4.14Å; W302-R310 HydrophobicContact CZ3-CG 3.64Å; W302-R310 PolarHBondContact O-NH2 3.37Å; L305-R310 HydrophobicContact CB-CG 3.9Å; L305-R310 HydrophobicContact CD1-CG 4.41Å; L305-R310 PolarHBondContact O-NE 3.24Å; T306-R310 WeakPolarHBondContact O-CG 3.45Å; T306-R310 PolarHBondContact O-N 2.92Å; R310-G314 PolarHBondContact O-N 2.93Å; R310-L315 PolarHBondContact O-N 2.95Å; R310-L315 VanDerWaalsContact O-N 3.13Å
311	K	78.9	Confident	75	Confident	173 Å²	173	62.6 Å²	62.6	75%	0.752	34%	0.342	S	S	*	.	H	α-helix	trans	-63.3	-42.5	175	-172.4	177	179.3	178.7	0	112.5	A307 G308 D309 G314	A307-K311 PolarHBondContact O-N 2.77Å; A307-K311 VanDerWaalsContact O-N 3.14Å; G308-K311 PolarHBondContact O-N 3.29Å; D309-K311 VanDerWaalsContact C-N 3.27Å; D309-K311 PolarHBondContact O-N 2.98Å; K311-G314 WeakPolarHBondContact O-CA 3.34Å; K311-G314 PolarHBondContact O-N 3.09Å; K311-G314 VanDerWaalsContact O-N 3.14Å
312	N	75.9	Confident	75.1	Confident	137 Å²	137	61 Å²	61	73%	0.733	33%	0.334	S	S	*	.	H	α-helix	trans	-70.2	-38.3	-179.7	-71.9	-21.2	0	0	0	113.1	G308 D309 G314	G308-N312 WeakPolarHBondContact O-CB 3.39Å; G308-N312 PolarHBondContact O-N 3.47Å; G308-N312 PolarHBondContact O-ND2 2.93Å; D309-N312 CarbonylContact O-C 3.59Å; D309-N312 PolarHBondContact O-N 3.16Å; N312-G314 PolarHBondContact O-N 2.68Å
313	L	74.5	Confident	75.4	Confident	13 Å²	13	61 Å²	61	7%	0.068	33%	0.334	C	S	.	.	H	α-helix	trans	-70	-19.4	172	-59.3	170.7	0	0	0	110.6	R260 I262 L264 L268 L305 D309 L315	R260-L313 PolarHBondContact NH1-O 3.31Å; I262-L313 HydrophobicContact CD1-CB 4.33Å; I262-L313 HydrophobicContact CG2-CB 4.4Å; I262-L313 HydrophobicContact CG2-CD2 3.32Å; I262-L313 HydrophobicContact CG2-CG 4.42Å; L264-L313 HydrophobicContact CD2-CD2 3.93Å; L268-L313 HydrophobicContact CD1-CD1 4.3Å; L268-L313 HydrophobicContact CD1-CD2 4.17Å; L305-L313 HydrophobicContact CD1-CD1 3.76Å; L305-L313 HydrophobicContact CD2-CD1 3.85Å; L305-L313 HydrophobicContact CG-CD1 4.47Å; D309-L313 HydrophobicContact CB-CD1 4.45Å; D309-L313 WeakPolarHBondContact O-CB 3.35Å; D309-L313 WeakPolarHBondContact O-CG 3.28Å; D309-L313 PolarHBondContact O-N 3.32Å; L313-L315 HydrophobicContact CB-CD1 4.06Å; L313-L315 HydrophobicContact CB-CG 3.92Å; L313-L315 HydrophobicContact CD1-CD1 4.16Å; L313-L315 PolarHBondContact O-N 3.44Å
314	G	72.7	Confident	75.8	Confident	12 Å²	12	54.3 Å²	54.3	12%	0.124	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	27.3	-175.9	0	0	0	0	0	112.7	R260 R310 K311 N312 V316	R260-G314 PolarHBondContact NE-O 2.79Å; R260-G314 VanDerWaalsContact NH1-CA 3.29Å; R260-G314 PolarHBondContact NH1-O 3.41Å; R260-G314 VanDerWaalsContact NH1-O 3.08Å; R260-G314 PolarHBondContact NH2-O 2.89Å; R310-G314 PolarHBondContact O-N 2.93Å; K311-G314 WeakPolarHBondContact O-CA 3.34Å; K311-G314 PolarHBondContact O-N 3.09Å; K311-G314 VanDerWaalsContact O-N 3.14Å; N312-G314 PolarHBondContact O-N 2.68Å; G314-V316 PolarHBondContact O-N 2.62Å
315	L	74.3	Confident	76.3	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.021	28%	0.284	C	S	.	.			trans	-83.9	95.9	169.9	-56.7	173.4	0	0	0	106.3	I262 M279 W295 W302 R310 L313 W324	I262-L315 HydrophobicContact CD1-CD1 4.23Å; I262-L315 HydrophobicContact CD1-CD2 3.77Å; I262-L315 HydrophobicContact CD1-CG 4.03Å; M279-L315 HydrophobicContact CB-CD2 4.33Å; M279-L315 HydrophobicContact CG-CD2 4.39Å; W295-L315 HydrophobicContact CZ3-CD1 4.07Å; W302-L315 HydrophobicContact CH2-CB 3.36Å; W302-L315 HydrophobicContact CH2-CD1 4.26Å; W302-L315 HydrophobicContact CH2-CG 4.43Å; W302-L315 HydrophobicContact CZ2-CB 4.16Å; W302-L315 HydrophobicContact CZ3-CB 4Å; R310-L315 PolarHBondContact O-N 2.95Å; R310-L315 VanDerWaalsContact O-N 3.13Å; L313-L315 HydrophobicContact CB-CD1 4.06Å; L313-L315 HydrophobicContact CB-CG 3.92Å; L313-L315 HydrophobicContact CD1-CD1 4.16Å; L313-L315 PolarHBondContact O-N 3.44Å; L315-W324 HydrophobicContact CD2-CD2 3.59Å; L315-W324 HydrophobicContact CD2-CE3 3.7Å; L315-W324 HydrophobicContact CD2-CG 4.28Å; L315-W324 HydrophobicContact CD2-CH2 3.78Å; L315-W324 HydrophobicContact CD2-CZ2 3.69Å; L315-W324 HydrophobicContact CD2-CZ3 3.78Å
316	V	68.9	Low	76.9	Confident	90 Å²	90	50.9 Å²	50.9	55%	0.545	29%	0.289	S	S	.	.			trans	-94.5	132.7	174.4	-175.6	0	0	0	0	107.4	G314 W324	G314-V316 PolarHBondContact O-N 2.62Å; V316-W324 PolarHBondContact O-NE1 2.9Å
317	M	63.2	Low	77.6	Confident	56 Å²	56	47.5 Å²	47.5	28%	0.276	27%	0.268	S	S	.	.			trans	-95.1	132.7	167.9	-66.7	-146.8	61.1	0	0	108.4	E297 W302	E297-M317 HydrophobicContact CB-CE 3.71Å; E297-M317 HydrophobicContact CB-SD 4.18Å; E297-M317 HydrophobicContact CG-CE 3.89Å; E297-M317 HydrophobicContact CG-SD 4.03Å; W302-M317 HydrophobicContact CD2-SD 4.41Å; W302-M317 HydrophobicContact CH2-CG 3.81Å; W302-M317 HydrophobicContact CH2-SD 4.39Å; W302-M317 HydrophobicContact CZ2-CG 3.85Å; W302-M317 HydrophobicContact CZ2-SD 3.97Å; W302-M317 HydrophobicContact CZ3-CG 4.43Å
318	S	60.4	Low	78.3	Confident	34 Å²	34	48.1 Å²	48.1	24%	0.238	26%	0.257	C	S	.	.			trans	-115.3	144.1	167.7	56.8	0	0	0	0	108.7	D320 E322	S318-D320 WeakPolarHBondContact CB-OD2 3.3Å; S318-D320 PolarHBondContact O-N 2.72Å; S318-D320 PolarHBondContact OG-OD1 2.77Å; S318-D320 PolarHBondContact OG-OD2 3.01Å; S318-D320 VanDerWaalsContact OG-OD2 3.06Å; S318-E322 PolarHBondContact OG-OE2 3.04Å
319	D	57.4	Low	79.1	Confident	155 Å²	155	47.5 Å²	47.5	83%	0.829	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	37.1	-171.1	-150.8	6.4	0	0	0	111.9
320	D	66.1	Low	79.9	Confident	46 Å²	46	46.4 Å²	46.4	25%	0.246	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.6	22	-158.1	61.4	30.1	0	0	0	115.8	H71 R283 S318 E322	H71-D320 IonicContact CE1-OD1 2.88Å; H71-D320 PolarHBondContact CE1-OD1 3.18Å; H71-D320 VanDerWaalsContact CE1-OD1 3.26Å; H71-D320 IonicContact CE1-OD2 3.15Å; H71-D320 PolarHBondContact CE1-OD2 2.91Å; H71-D320 IonicContact ND1-OD1 3.24Å; H71-D320 PolarHBondContact ND1-OD1 2.95Å; H71-D320 IonicContact ND1-OD2 3.77Å; H71-D320 PolarHBondContact ND1-OD2 2.84Å; H71-D320 VanDerWaalsContact ND1-OD2 3.17Å; H71-D320 IonicContact NE2-OD2 3.64Å; H71-D320 PolarHBondContact NE2-OD2 3.29Å; R283-D320 PolarHBondContact NH1-O 3.26Å; R283-D320 IonicContact NH1-OD1 2.82Å; R283-D320 PolarHBondContact NH1-OD1 3.38Å; R283-D320 VanDerWaalsContact NH1-OD1 3.09Å; R283-D320 PolarHBondContact NH2-O 2.84Å; S318-D320 WeakPolarHBondContact CB-OD2 3.3Å; S318-D320 PolarHBondContact O-N 2.72Å; S318-D320 PolarHBondContact OG-OD1 2.77Å; S318-D320 PolarHBondContact OG-OD2 3.01Å; S318-D320 VanDerWaalsContact OG-OD2 3.06Å; D320-E322 WeakPolarHBondContact OD1-CG 3.22Å
321	G	72	Confident	80.6	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.01	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	9.6	179	0	0	0	0	0	115	R283 N284 E290	R283-G321 WeakPolarHBondContact CA-O 3.14Å; N284-G321 PolarHBondContact N-O 3.05Å; N284-G321 VanDerWaalsContact N-O 3.14Å; E290-G321 WeakPolarHBondContact OE1-CA 3.42Å; E290-G321 PolarHBondContact OE1-N 3.27Å
322	E	85.6	Confident	81.4	Confident	11 Å²	11	42.7 Å²	42.7	5%	0.051	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	137.7	171.9	-66.9	-158.8	144.9	0	0	111.8	T257 R281 L282 R283 S318 D320	T257-E322 WeakPolarHBondContact CB-OE1 3.23Å; T257-E322 VanDerWaalsContact CG2-OE1 3.27Å; T257-E322 WeakPolarHBondContact CG2-OE1 3.28Å; T257-E322 PolarHBondContact OG1-OE1 2.81Å; R281-E322 VanDerWaalsContact CD-OE2 3.28Å; R281-E322 WeakPolarHBondContact CD-OE2 3.36Å; R281-E322 HydrophobicContact CG-CB 4.43Å; R281-E322 IonicContact CZ-OE2 3.22Å; R281-E322 IonicContact NE-OE1 2.78Å; R281-E322 IonicContact NE-OE2 3.29Å; R281-E322 PolarHBondContact NE-OE2 3.11Å; R281-E322 IonicContact NH1-OE2 3.32Å; R281-E322 PolarHBondContact NH1-OE2 2.92Å; R281-E322 IonicContact NH2-OE2 2.69Å; L282-E322 CarbonylContact O-C 3.52Å; L282-E322 WeakPolarHBondContact O-CA 3.45Å; R283-E322 HydrophobicContact CB-CG 4.14Å; R283-E322 HydrophobicContact CG-CG 4.23Å; S318-E322 PolarHBondContact OG-OE2 3.04Å; D320-E322 WeakPolarHBondContact OD1-CG 3.22Å
323	F	88.4	Confident	82.2	Confident	3 Å²	3	37.4 Å²	37.4	1%	0.013	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	150.2	175.6	58.2	-92.3	0	0	0	111.6	L248 Y254 R281 L282 W291 M325	L248-F323 HydrophobicContact CD2-CE1 4.32Å; L248-F323 HydrophobicContact CD2-CE2 4.12Å; L248-F323 HydrophobicContact CD2-CZ 3.6Å; Y254-F323 AromaticContact CD1-CE1 3.93Å; Y254-F323 HydrophobicContact CD1-CE1 3.93Å; Y254-F323 AromaticContact CD1-CZ 3.87Å; Y254-F323 HydrophobicContact CD1-CZ 3.87Å; Y254-F323 AromaticContact CE1-CE1 3.85Å; Y254-F323 HydrophobicContact CE1-CE1 3.85Å; Y254-F323 AromaticContact CE1-CZ 3.94Å; Y254-F323 HydrophobicContact CE1-CZ 3.94Å; R281-F323 WeakPolarHBondContact CA-O 3.23Å; L282-F323 HydrophobicContact CB-CD2 4.42Å; L282-F323 HydrophobicContact CB-CE1 4.32Å; L282-F323 HydrophobicContact CB-CE2 3.81Å; L282-F323 HydrophobicContact CB-CZ 3.75Å; L282-F323 HydrophobicContact CD1-CE2 4.08Å; L282-F323 HydrophobicContact CD1-CZ 4.26Å; L282-F323 HydrophobicContact CG-CE2 4.41Å; L282-F323 PolarHBondContact N-O 2.74Å; L282-F323 PolarHBondContact O-N 2.95Å; W291-F323 HydrophobicContact CB-CB 4Å; W291-F323 HydrophobicContact CB-CD1 4.05Å; W291-F323 HydrophobicContact CB-CD2 3.26Å; W291-F323 HydrophobicContact CB-CE1 4.34Å; W291-F323 HydrophobicContact CB-CE2 3.61Å; W291-F323 HydrophobicContact CB-CG 3.5Å; W291-F323 VanDerWaalsContact CB-CG 3.5Å; W291-F323 HydrophobicContact CB-CZ 4.14Å; W291-F323 AromaticContact CG-CD2 3.86Å; W291-F323 HydrophobicContact CG-CD2 3.86Å; W291-F323 HydrophobicContact CG-CE2 4.23Å; W291-F323 HydrophobicContact CG-CG 4.45Å; F323-M325 HydrophobicContact CE2-CE 4.12Å; F323-M325 HydrophobicContact CE2-SD 4.48Å
324	W	90.6	Very high	83.2	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	145.7	171.9	-72.6	94.6	0	0	0	110.2	D258 R260 M279 I280 R281 W302 L315 V316	D258-W324 HydrophobicContact CB-CH2 3.66Å; D258-W324 HydrophobicContact CB-CZ2 4.19Å; D258-W324 HydrophobicContact CB-CZ3 4.41Å; R260-W324 HydrophobicContact CB-CH2 4.49Å; R260-W324 HydrophobicContact CB-CZ3 4.43Å; R260-W324 HydrophobicContact CG-CH2 3.87Å; R260-W324 HydrophobicContact CG-CZ3 4.26Å; M279-W324 HydrophobicContact CB-CE3 3.69Å; M279-W324 HydrophobicContact CB-CZ3 3.79Å; M279-W324 HydrophobicContact CE-CB 4.25Å; I280-W324 WeakPolarHBondContact O-CA 3.28Å; R281-W324 HydrophobicContact CB-CD2 3.74Å; R281-W324 HydrophobicContact CB-CE3 3.68Å; R281-W324 HydrophobicContact CB-CG 4.47Å; R281-W324 HydrophobicContact CB-CH2 3.8Å; R281-W324 HydrophobicContact CB-CZ2 3.84Å; R281-W324 HydrophobicContact CB-CZ3 3.72Å; R281-W324 HydrophobicContact CG-CD2 4.05Å; R281-W324 HydrophobicContact CG-CE3 4.49Å; R281-W324 HydrophobicContact CG-CG 4.38Å; R281-W324 HydrophobicContact CG-CZ2 4.23Å; W302-W324 HydrophobicContact CZ2-CB 4.37Å; W302-W324 AromaticContact CZ2-CD1 3.84Å; W302-W324 HydrophobicContact CZ2-CG 4.29Å; L315-W324 HydrophobicContact CD2-CD2 3.59Å; L315-W324 HydrophobicContact CD2-CE3 3.7Å; L315-W324 HydrophobicContact CD2-CG 4.28Å; L315-W324 HydrophobicContact CD2-CH2 3.78Å; L315-W324 HydrophobicContact CD2-CZ2 3.69Å; L315-W324 HydrophobicContact CD2-CZ3 3.78Å; V316-W324 PolarHBondContact O-NE1 2.9Å
325	M	93.3	Very high	84.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	160.5	167.3	56.6	168.5	28	0	0	111.2	L248 I280 L282 W291 F323 D329 F330 F334	L248-M325 HydrophobicContact CD1-CE 4.48Å; I280-M325 PolarHBondContact N-O 3.22Å; I280-M325 PolarHBondContact O-N 2.73Å; L282-M325 HydrophobicContact CD1-SD 3.97Å; W291-M325 HydrophobicContact CD2-CE 3.65Å; W291-M325 HydrophobicContact CE3-CE 3.64Å; W291-M325 HydrophobicContact CG-CE 4.28Å; W291-M325 HydrophobicContact CH2-CE 3.96Å; W291-M325 HydrophobicContact CZ2-CE 3.95Å; W291-M325 HydrophobicContact CZ3-CE 3.79Å; F323-M325 HydrophobicContact CE2-CE 4.12Å; F323-M325 HydrophobicContact CE2-SD 4.48Å; M325-D329 HydrophobicContact CB-CB 4.41Å; M325-D329 HydrophobicContact CE-CB 4.26Å; M325-F330 HydrophobicContact CG-CB 4.48Å; M325-F330 HydrophobicContact SD-CB 3.83Å; M325-F330 HydrophobicContact SD-CD2 4.01Å; M325-F330 HydrophobicContact SD-CG 4.45Å; M325-F334 HydrophobicContact CE-CE2 4.22Å; M325-F334 HydrophobicContact SD-CD2 4.36Å; M325-F334 HydrophobicContact SD-CE2 3.74Å
326	S	94.3	Very high	85.2	Confident	21 Å²	21	42.3 Å²	42.3	15%	0.147	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	155.7	173.6	79.5	0	0	0	0	110.9	E328 D329 F330	S326-E328 PolarHBondContact O-N 3.09Å; S326-E328 WeakPolarHBondContact OG-CB 3.23Å; S326-E328 PolarHBondContact OG-N 2.64Å; S326-D329 PolarHBondContact O-N 2.95Å; S326-D329 VanDerWaalsContact OG-CG 3.3Å; S326-D329 PolarHBondContact OG-N 2.79Å; S326-D329 PolarHBondContact OG-OD2 3.04Å; S326-F330 WeakPolarHBondContact O-CB 3.03Å; S326-F330 PolarHBondContact O-N 2.78Å
327	L	95.8	Very high	86.5	Confident	5 Å²	5	38 Å²	38	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-56.4	-32.2	169.6	174.6	61.1	0	0	0	111.9	K211 Y212 F215 Y278 I280 F330 C331	K211-L327 HydrophobicContact CD-CD2 4.41Å; K211-L327 HydrophobicContact CD-CG 4.33Å; K211-L327 HydrophobicContact CG-CD1 4.43Å; K211-L327 HydrophobicContact CG-CD2 3.89Å; K211-L327 HydrophobicContact CG-CG 3.94Å; Y212-L327 HydrophobicContact CD1-CD2 3.92Å; Y212-L327 HydrophobicContact CE1-CD2 4.03Å; F215-L327 HydrophobicContact CB-CD1 4.14Å; F215-L327 HydrophobicContact CB-CD2 3.58Å; F215-L327 HydrophobicContact CB-CG 4.49Å; F215-L327 HydrophobicContact CD2-CB 4.35Å; F215-L327 HydrophobicContact CD2-CD1 4.08Å; F215-L327 HydrophobicContact CD2-CD2 3.89Å; F215-L327 HydrophobicContact CD2-CG 4.32Å; F215-L327 HydrophobicContact CG-CD2 4Å; Y278-L327 PolarHBondContact O-N 2.76Å; I280-L327 HydrophobicContact CD1-CD1 4.1Å; L327-F330 HydrophobicContact CD1-CD1 4.42Å; L327-F330 PolarHBondContact O-N 2.69Å; L327-C331 WeakPolarHBondContact O-CB 3.39Å; L327-C331 PolarHBondContact O-N 2.88Å; L327-C331 PolarHBondContact O-SG 2.83Å; L327-C331 VanDerWaalsContact O-SG 3.42Å
328	E	94.5	Very high	88	Confident	96 Å²	96	35.8 Å²	35.8	45%	0.449	17%	0.173	S	C	.	.	H	α-helix	trans	-65.1	-50.5	179.9	-156.7	68.4	-166.7	0	0	110.8	K211 S326 F330 C331 R332	K211-E328 WeakPolarHBondContact CD-OE2 3.34Å; K211-E328 WeakPolarHBondContact CE-OE2 3.49Å; K211-E328 IonicContact NZ-OE1 3.13Å; K211-E328 PolarHBondContact NZ-OE1 2.86Å; K211-E328 IonicContact NZ-OE2 2.84Å; K211-E328 PolarHBondContact NZ-OE2 3.21Å; S326-E328 PolarHBondContact O-N 3.09Å; S326-E328 WeakPolarHBondContact OG-CB 3.23Å; S326-E328 PolarHBondContact OG-N 2.64Å; E328-F330 VanDerWaalsContact C-N 3.33Å; E328-F330 PolarHBondContact O-N 3.23Å; E328-C331 PolarHBondContact O-N 3.1Å; E328-R332 WeakPolarHBondContact O-CB 3.44Å; E328-R332 PolarHBondContact O-N 3.15Å
329	D	95.1	Very high	89.7	Confident	26 Å²	26	34.2 Å²	34.2	14%	0.139	16%	0.162	C	C	.	.	H	α-helix	trans	-66.1	-38.4	177.4	-62.2	-52.5	0	0	0	111.2	W291 M325 S326 C331 R332 N333	W291-D329 HydrophobicContact CH2-CB 4.11Å; W291-D329 HydrophobicContact CZ2-CB 3.98Å; M325-D329 HydrophobicContact CB-CB 4.41Å; M325-D329 HydrophobicContact CE-CB 4.26Å; S326-D329 PolarHBondContact O-N 2.95Å; S326-D329 VanDerWaalsContact OG-CG 3.3Å; S326-D329 PolarHBondContact OG-N 2.79Å; S326-D329 PolarHBondContact OG-OD2 3.04Å; D329-C331 PolarHBondContact O-N 2.78Å; D329-R332 PolarHBondContact O-N 3.47Å; D329-R332 VanDerWaalsContact O-N 3.17Å; D329-N333 WeakPolarHBondContact O-CB 3.28Å; D329-N333 PolarHBondContact O-N 3.37Å; D329-N333 PolarHBondContact O-ND2 3.01Å
330	F	96	Very high	91.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.1	-49.9	175.1	179.8	-102.6	0	0	0	112	M199 L218 C230 I280 L282 M325 S326 L327 E328 R332 N333 F334 L337	M199-F330 HydrophobicContact CE-CD1 4.23Å; M199-F330 HydrophobicContact CE-CE1 4.09Å; L218-F330 HydrophobicContact CD1-CE1 4.2Å; C230-F330 HydrophobicContact CB-CE2 4.17Å; C230-F330 HydrophobicContact CB-CZ 4.28Å; I280-F330 HydrophobicContact CD1-CB 3.8Å; I280-F330 HydrophobicContact CD1-CD1 3.48Å; I280-F330 VanDerWaalsContact CD1-CD1 3.48Å; I280-F330 HydrophobicContact CD1-CD2 3.94Å; I280-F330 HydrophobicContact CD1-CE1 3.94Å; I280-F330 HydrophobicContact CD1-CE2 4.36Å; I280-F330 HydrophobicContact CD1-CG 3.46Å; I280-F330 VanDerWaalsContact CD1-CG 3.46Å; I280-F330 HydrophobicContact CD1-CZ 4.33Å; I280-F330 HydrophobicContact CG2-CD2 4.33Å; I280-F330 HydrophobicContact CG2-CE2 4.41Å; L282-F330 HydrophobicContact CD1-CD2 3.98Å; L282-F330 HydrophobicContact CD1-CE2 4.02Å; L282-F330 HydrophobicContact CD2-CE2 4.24Å; M325-F330 HydrophobicContact CG-CB 4.48Å; M325-F330 HydrophobicContact SD-CB 3.83Å; M325-F330 HydrophobicContact SD-CD2 4.01Å; M325-F330 HydrophobicContact SD-CG 4.45Å; S326-F330 WeakPolarHBondContact O-CB 3.03Å; S326-F330 PolarHBondContact O-N 2.78Å; L327-F330 HydrophobicContact CD1-CD1 4.42Å; L327-F330 PolarHBondContact O-N 2.69Å; E328-F330 VanDerWaalsContact C-N 3.33Å; E328-F330 PolarHBondContact O-N 3.23Å; F330-R332 PolarHBondContact O-N 2.62Å; F330-N333 PolarHBondContact O-N 3.23Å; F330-F334 AromaticContact CD2-CD2 3.48Å; F330-F334 HydrophobicContact CD2-CD2 3.48Å; F330-F334 VanDerWaalsContact CD2-CD2 3.48Å; F330-F334 AromaticContact CD2-CE2 3.89Å; F330-F334 HydrophobicContact CD2-CE2 3.89Å; F330-F334 HydrophobicContact CD2-CG 4.21Å; F330-F334 HydrophobicContact CE2-CB 4.46Å; F330-F334 AromaticContact CE2-CD2 3.79Å; F330-F334 HydrophobicContact CE2-CD2 3.79Å; F330-F334 HydrophobicContact CE2-CE2 4.26Å; F330-F334 HydrophobicContact CE2-CG 4.09Å; F330-F334 HydrophobicContact CG-CD2 4.25Å; F330-F334 PolarHBondContact O-N 2.98Å; F330-F334 VanDerWaalsContact O-N 3.1Å; F330-L337 HydrophobicContact CE1-CD1 4.02Å; F330-L337 HydrophobicContact CE1-CD2 3.91Å; F330-L337 HydrophobicContact CE2-CD2 4.32Å; F330-L337 HydrophobicContact CZ-CD1 4.17Å; F330-L337 HydrophobicContact CZ-CD2 3.4Å; F330-L337 VanDerWaalsContact CZ-CD2 3.4Å; F330-L337 HydrophobicContact CZ-CG 4.45Å
331	C	95.7	Very high	92.8	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.014	12%	0.115	C	C	.	.	H	α-helix	trans	-67.6	-21.9	177.9	-73.4	0	0	0	0	113.5	M199 T205 L327 E328 D329	M199-C331 HydrophobicContact CE-CB 4.18Å; T205-C331 PolarHBondContact OG1-O 3.37Å; L327-C331 WeakPolarHBondContact O-CB 3.39Å; L327-C331 PolarHBondContact O-N 2.88Å; L327-C331 PolarHBondContact O-SG 2.83Å; L327-C331 VanDerWaalsContact O-SG 3.42Å; E328-C331 PolarHBondContact O-N 3.1Å; D329-C331 PolarHBondContact O-N 2.78Å
332	R	94.3	Very high	93.6	Very high	182 Å²	182	26.4 Å²	26.4	69%	0.687	12%	0.118	S	C	*	.	H	α-helix	trans	-83.7	-34.2	177.5	-174.1	175.8	178.5	178.1	-1	113	T205 E328 D329 F330	T205-R332 HydrophobicContact CG2-CB 4.49Å; E328-R332 WeakPolarHBondContact O-CB 3.44Å; E328-R332 PolarHBondContact O-N 3.15Å; D329-R332 PolarHBondContact O-N 3.47Å; D329-R332 VanDerWaalsContact O-N 3.17Å; F330-R332 PolarHBondContact O-N 2.62Å
333	N	94.3	Very high	93.5	Very high	26 Å²	26	26.7 Å²	26.7	14%	0.139	12%	0.121	C	C	.	.	H	α-helix	trans	-99.8	-27.5	-170.2	-69.4	-76.2	0	0	0	113.9	L248 W291 D329 F330	L248-N333 HydrophobicContact CD1-CB 3.84Å; W291-N333 WeakPolarHBondContact CH2-ND2 3.31Å; D329-N333 WeakPolarHBondContact O-CB 3.28Å; D329-N333 PolarHBondContact O-N 3.37Å; D329-N333 PolarHBondContact O-ND2 3.01Å; F330-N333 PolarHBondContact O-N 3.23Å
334	F	94.8	Very high	92.7	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	14%	0.14	C	C	.	.			trans	-99.7	140.9	-177.1	-69.9	-85.7	0	0	0	112.8	M199 C230 I232 L248 Y254 L282 M325 F330	M199-F334 VanDerWaalsContact CB-O 3.3Å; M199-F334 WeakPolarHBondContact CB-O 3.33Å; M199-F334 WeakPolarHBondContact CG-O 3.2Å; C230-F334 HydrophobicContact CB-CD1 3.74Å; C230-F334 HydrophobicContact CB-CE1 4.22Å; C230-F334 HydrophobicContact CB-CG 4.23Å; C230-F334 WeakPolarHBondContact SG-CE1 3.32Å; I232-F334 HydrophobicContact CD1-CE1 4.46Å; I232-F334 HydrophobicContact CG1-CD1 3.93Å; I232-F334 HydrophobicContact CG1-CE1 4.02Å; L248-F334 HydrophobicContact CD1-CE2 4.26Å; L248-F334 HydrophobicContact CD1-CZ 4.25Å; Y254-F334 AromaticContact CD2-CE1 3.71Å; Y254-F334 HydrophobicContact CD2-CE1 3.71Å; Y254-F334 HydrophobicContact CD2-CZ 4.2Å; Y254-F334 HydrophobicContact CE2-CE1 4.41Å; Y254-F334 HydrophobicContact CG-CE1 4.07Å; Y254-F334 HydrophobicContact CG-CZ 4.26Å; L282-F334 HydrophobicContact CD1-CD2 4.27Å; L282-F334 HydrophobicContact CD1-CE1 4.19Å; L282-F334 HydrophobicContact CD1-CE2 3.34Å; L282-F334 HydrophobicContact CD1-CZ 3.29Å; M325-F334 HydrophobicContact CE-CE2 4.22Å; M325-F334 HydrophobicContact SD-CD2 4.36Å; M325-F334 HydrophobicContact SD-CE2 3.74Å; F330-F334 AromaticContact CD2-CD2 3.48Å; F330-F334 HydrophobicContact CD2-CD2 3.48Å; F330-F334 VanDerWaalsContact CD2-CD2 3.48Å; F330-F334 AromaticContact CD2-CE2 3.89Å; F330-F334 HydrophobicContact CD2-CE2 3.89Å; F330-F334 HydrophobicContact CD2-CG 4.21Å; F330-F334 HydrophobicContact CE2-CB 4.46Å; F330-F334 AromaticContact CE2-CD2 3.79Å; F330-F334 HydrophobicContact CE2-CD2 3.79Å; F330-F334 HydrophobicContact CE2-CE2 4.26Å; F330-F334 HydrophobicContact CE2-CG 4.09Å; F330-F334 HydrophobicContact CG-CD2 4.25Å; F330-F334 PolarHBondContact O-N 2.98Å; F330-F334 VanDerWaalsContact O-N 3.1Å
335	H	94.4	Very high	91.4	Very high	50 Å²	50	35 Å²	35	23%	0.231	17%	0.165	C	C	.	.			trans	-103.7	-35.5	-174	-64.2	104.5	0	0	0	112.7	M199 S231 I232 E233	M199-H335 VanDerWaalsContact CB-O 3.28Å; M199-H335 WeakPolarHBondContact CB-O 3.3Å; M199-H335 WeakPolarHBondContact CG-O 3.46Å; M199-H335 PolarHBondContact N-O 3.1Å; S231-H335 PolarHBondContact O-N 3.38Å; S231-H335 VanDerWaalsContact O-N 3.1Å; I232-H335 WeakPolarHBondContact CG2-ND1 3.43Å; E233-H335 HydrophobicContact CB-CB 4.11Å; E233-H335 HydrophobicContact CG-CB 3.85Å; E233-H335 PolarHBondContact N-ND1 2.87Å; E233-H335 VanDerWaalsContact N-ND1 3.15Å
336	K	94.4	Very high	89.8	Confident	80 Å²	80	37.8 Å²	37.8	35%	0.348	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	133.4	-172.5	-173.1	-179.8	-171.1	176.7	0	111	T196 C230 S231	T196-K336 HydrophobicContact CG2-CD 4.01Å; T196-K336 HydrophobicContact CG2-CG 3.53Å; C230-K336 CarbonylContact C-O 3.57Å; C230-K336 WeakPolarHBondContact CA-O 3.35Å; S231-K336 PolarHBondContact N-O 3.32Å; S231-K336 PolarHBondContact O-N 3.42Å; S231-K336 VanDerWaalsContact O-N 3.16Å
337	L	96.1	Very high	87.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	138.5	173.7	-44	-178.9	0	0	0	110.1	T196 V197 M199 L214 L218 C230 F330 V339	T196-L337 CarbonylContact C-O 3.51Å; T196-L337 WeakPolarHBondContact CA-O 3.42Å; T196-L337 WeakPolarHBondContact CG2-O 3.34Å; V197-L337 HydrophobicContact CB-CB 4.11Å; V197-L337 HydrophobicContact CB-CD1 4.39Å; V197-L337 HydrophobicContact CB-CG 4.41Å; V197-L337 PolarHBondContact N-O 2.96Å; V197-L337 PolarHBondContact O-N 3.42Å; M199-L337 HydrophobicContact CE-CD1 4.44Å; M199-L337 HydrophobicContact CG-CD2 4.37Å; M199-L337 HydrophobicContact CG-CG 4.11Å; M199-L337 HydrophobicContact SD-CD1 3.5Å; M199-L337 WeakPolarHBondContact SD-CD1 3.29Å; M199-L337 HydrophobicContact SD-CD2 4.12Å; M199-L337 HydrophobicContact SD-CG 3.6Å; M199-L337 VanDerWaalsContact SD-CG 3.6Å; L214-L337 HydrophobicContact CD1-CD1 4.25Å; L214-L337 HydrophobicContact CD2-CD1 4.33Å; L218-L337 HydrophobicContact CD1-CD1 4.04Å; L218-L337 HydrophobicContact CD2-CD1 4.21Å; C230-L337 HydrophobicContact CB-CD2 3.4Å; F330-L337 HydrophobicContact CE1-CD1 4.02Å; F330-L337 HydrophobicContact CE1-CD2 3.91Å; F330-L337 HydrophobicContact CE2-CD2 4.32Å; F330-L337 HydrophobicContact CZ-CD1 4.17Å; F330-L337 HydrophobicContact CZ-CD2 3.4Å; F330-L337 VanDerWaalsContact CZ-CD2 3.4Å; F330-L337 HydrophobicContact CZ-CG 4.45Å; L337-V339 HydrophobicContact CB-CG2 4.28Å
338	N	95.5	Very high	85.9	Confident	9 Å²	9	49.3 Å²	49.3	5%	0.048	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	110.3	168.8	-64.9	-59.5	0	0	0	108.2	T183 T196 I228 C229	T183-N338 HydrophobicContact CG2-CB 3.61Å; T183-N338 WeakPolarHBondContact CG2-OD1 3.35Å; T196-N338 PolarHBondContact OG1-OD1 3.44Å; I228-N338 WeakPolarHBondContact CA-O 3.48Å; C229-N338 PolarHBondContact N-O 3.48Å; C229-N338 PolarHBondContact O-N 3.35Å
339	V	95.7	Very high	84.2	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	108.1	-173.8	-179.7	0	0	0	0	108.8	A194 E195 V197 L218 T221 I228 L337 R341	A194-V339 CarbonylContact C-O 3.57Å; A194-V339 WeakPolarHBondContact CA-O 3.5Å; E195-V339 HydrophobicContact CG-CB 3.95Å; E195-V339 HydrophobicContact CG-CG1 4.49Å; E195-V339 PolarHBondContact N-O 2.82Å; E195-V339 PolarHBondContact O-N 2.83Å; V197-V339 HydrophobicContact CG2-CG2 4.14Å; L218-V339 HydrophobicContact CD2-CG2 3.75Å; T221-V339 HydrophobicContact CG2-CG1 3.74Å; I228-V339 HydrophobicContact CG1-CG1 4.35Å; I228-V339 HydrophobicContact CG2-CG2 4.22Å; L337-V339 HydrophobicContact CB-CG2 4.28Å; V339-R341 HydrophobicContact CG1-CG 4.27Å
340	C	94.8	Very high	82.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	98.9	-178.6	-62.7	0	0	0	0	110.3	I186 T192 L193 G226 L227	I186-C340 HydrophobicContact CG2-CB 3.88Å; I186-C340 VanDerWaalsContact CG2-SG 3.57Å; T192-C340 HydrophobicContact CG2-CB 4.48Å; L193-C340 CarbonylContact O-C 3.53Å; L193-C340 WeakPolarHBondContact O-CA 3.39Å; G226-C340 CarbonylContact C-O 3.56Å; G226-C340 WeakPolarHBondContact CA-O 3.46Å; L227-C340 HydrophobicContact CB-CB 4.18Å; L227-C340 PolarHBondContact N-O 3.44Å; L227-C340 WeakPolarHBondContact O-CA 3.24Å; L227-C340 WeakPolarHBondContact O-CB 3.45Å; L227-C340 PolarHBondContact O-N 3.27Å
341	R	92.9	Very high	81.5	Confident	22 Å²	22	59.4 Å²	59.4	8%	0.083	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	131.2	-175.1	-62.5	-179.9	175.3	-71.7	-9.4	111.3	T192 L193 E195 E217 T221 V339 V343	T192-R341 WeakPolarHBondContact CA-O 3.39Å; T192-R341 WeakPolarHBondContact CB-O 3.24Å; T192-R341 WeakPolarHBondContact CG2-O 3.42Å; L193-R341 PolarHBondContact N-O 2.89Å; L193-R341 PolarHBondContact O-N 3.29Å; E195-R341 IonicContact OE1-CZ 3.5Å; E195-R341 IonicContact OE1-NE 3.53Å; E195-R341 PolarHBondContact OE1-NE 2.57Å; E195-R341 IonicContact OE1-NH2 3.34Å; E195-R341 PolarHBondContact OE1-NH2 3.25Å; E217-R341 IonicContact OE2-NH2 3.9Å; T221-R341 HydrophobicContact CG2-CG 3.99Å; T221-R341 PolarHBondContact OG1-NH1 3.18Å; V339-R341 HydrophobicContact CG1-CG 4.27Å; R341-V343 PolarHBondContact O-N 3.34Å; R341-V343 VanDerWaalsContact O-N 3.09Å
342	N	89.6	Confident	80.9	Confident	17 Å²	17	60.3 Å²	60.3	9%	0.091	29%	0.294	C	S	.	.			trans	-74.6	100.4	172.3	-172.6	5.2	0	0	0	110.7	K224 N344	K224-N342 WeakPolarHBondContact O-CB 3.42Å; K224-N342 PolarHBondContact O-ND2 2.72Å; K224-N342 VanDerWaalsContact O-ND2 3.07Å; N342-N344 PolarHBondContact OD1-N 2.95Å; N342-N344 VanDerWaalsContact OD1-N 3.11Å
343	V	83.7	Confident	80.7	Confident	17 Å²	17	52.8 Å²	52.8	10%	0.103	27%	0.267	C	S	.	.			trans	-90.4	-5.9	177.9	-64.3	0	0	0	0	113.1	G191 L193 R341 L353 F487	G191-V343 WeakPolarHBondContact O-CG2 3.35Å; L193-V343 HydrophobicContact CB-CG1 3.72Å; R341-V343 PolarHBondContact O-N 3.34Å; R341-V343 VanDerWaalsContact O-N 3.09Å; V343-L353 HydrophobicContact CB-CB 4.25Å; V343-L353 HydrophobicContact CB-CD2 3.96Å; V343-L353 HydrophobicContact CG1-CD1 4.45Å; V343-L353 HydrophobicContact CG1-CD2 4.4Å; V343-L353 HydrophobicContact CG2-CD2 3.76Å; V343-F487 HydrophobicContact CG1-CD2 3.78Å; V343-F487 HydrophobicContact CG1-CE2 4.14Å
344	N	70.6	Confident	80.6	Confident	76 Å²	76	53.3 Å²	53.3	41%	0.406	27%	0.269	S	S	.	.	S	Bend	trans	-91.9	-3.3	-175.8	-66.4	-43.3	0	0	0	113.1	T190 N342 P346	T190-N344 PolarHBondContact O-ND2 3.17Å; N342-N344 PolarHBondContact OD1-N 2.95Å; N342-N344 VanDerWaalsContact OD1-N 3.11Å; N344-P346 VanDerWaalsContact C-CD 3.46Å; N344-P346 VanDerWaalsContact O-CD 3.28Å; N344-P346 WeakPolarHBondContact O-CD 3.33Å
345	N	64.2	Low	80.5	Confident	102 Å²	102	55.7 Å²	55.7	55%	0.545	29%	0.286	S	S	.	.	S	Bend	trans	-116.9	74.6	178.7	-166.8	5.7	0	0	0	110.7	I347	N345-I347 PolarHBondContact O-N 2.88Å
346	P	58.4	Low	80.5	Confident	59 Å²	59	55.1 Å²	55.1	38%	0.383	29%	0.285	S	S	.	.			trans	-67.1	126.5	-176.6	27.2	-33.5	0	0	0	110.6	N344 F348 R350	N344-P346 VanDerWaalsContact C-CD 3.46Å; N344-P346 VanDerWaalsContact O-CD 3.28Å; N344-P346 WeakPolarHBondContact O-CD 3.33Å; P346-F348 PolarHBondContact O-N 3.06Å; P346-R350 WeakPolarHBondContact CB-O 3.48Å
347	I	55.8	Low	80.6	Confident	73 Å²	73	56.2 Å²	56.2	37%	0.374	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-70.4	126.5	173.5	-49.9	-175.2	0	0	0	108.4	K224 N345 G349 R350	K224-I347 HydrophobicContact CD-CD1 4.32Å; K224-I347 VanDerWaalsContact CE-CD1 3.43Å; N345-I347 PolarHBondContact O-N 2.88Å; I347-G349 PolarHBondContact O-N 3.23Å; I347-G349 VanDerWaalsContact O-N 3.11Å; I347-R350 PolarHBondContact O-N 2.76Å
348	F	53.6	Low	80.6	Confident	195 Å²	195	56.7 Å²	56.7	86%	0.855	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	55.2	27.9	179.7	-56	-69.4	0	0	0	114.2	P346 R350	P346-F348 PolarHBondContact O-N 3.06Å; F348-R350 PolarHBondContact O-N 2.63Å
349	G	57.4	Low	80.7	Confident	66 Å²	66	58.3 Å²	58.3	68%	0.68	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	71.1	12.4	177.6	0	0	0	0	0	115.1	I347	I347-G349 PolarHBondContact O-N 3.23Å; I347-G349 VanDerWaalsContact O-N 3.11Å
350	R	65.9	Low	80.8	Confident	148 Å²	148	58.3 Å²	58.3	56%	0.558	31%	0.311	S	S	*	.			trans	-75.3	127.1	174.2	-66.8	-175.8	-179.6	-177.5	0.3	110.3	P346 I347 F348 E352	P346-R350 WeakPolarHBondContact CB-O 3.48Å; I347-R350 PolarHBondContact O-N 2.76Å; F348-R350 PolarHBondContact O-N 2.63Å; R350-E352 PolarHBondContact O-N 2.75Å; R350-E352 VanDerWaalsContact O-N 3.09Å
351	K	70.4	Confident	80.8	Confident	121 Å²	121	60.8 Å²	60.8	53%	0.526	33%	0.326	S	S	.	.			trans	-74.9	98.4	173.8	-170.1	176.4	174.5	-153.9	0	108.8	L353 E354	K351-L353 VanDerWaalsContact C-N 3.28Å; K351-L353 WeakPolarHBondContact CE-O 3.3Å; K351-L353 VanDerWaalsContact CG-O 3.31Å; K351-L353 WeakPolarHBondContact CG-O 3.35Å; K351-E354 VanDerWaalsContact CD-OE1 3.3Å; K351-E354 WeakPolarHBondContact CD-OE1 3.33Å; K351-E354 VanDerWaalsContact CE-OE1 3.23Å; K351-E354 WeakPolarHBondContact CE-OE1 3Å; K351-E354 IonicContact NZ-OE1 2.99Å; K351-E354 PolarHBondContact NZ-OE1 2.78Å; K351-E354 IonicContact NZ-OE2 2.78Å; K351-E354 PolarHBondContact NZ-OE2 3.49Å
352	E	82.7	Confident	81	Confident	21 Å²	21	63.1 Å²	63.1	10%	0.098	34%	0.343	C	S	.	.			trans	-80.5	-9.9	177.4	-64.1	-179.1	169.9	0	0	112.3	K224 R350 F487 S488	K224-E352 IonicContact NZ-OE1 2.88Å; K224-E352 PolarHBondContact NZ-OE1 2.88Å; K224-E352 IonicContact NZ-OE2 3.3Å; R350-E352 PolarHBondContact O-N 2.75Å; R350-E352 VanDerWaalsContact O-N 3.09Å; E352-F487 HydrophobicContact CB-CD2 3.99Å; E352-F487 HydrophobicContact CB-CE2 3.61Å; E352-F487 HydrophobicContact CB-CZ 4.45Å; E352-F487 HydrophobicContact CG-CE2 4.5Å; E352-F487 CarbonylContact O-C 3.6Å; E352-F487 VanDerWaalsContact O-CA 3.25Å; E352-F487 WeakPolarHBondContact O-CA 3.42Å; E352-F487 VanDerWaalsContact O-CD2 3.29Å; E352-F487 WeakPolarHBondContact O-CD2 3.35Å; E352-F487 WeakPolarHBondContact OE2-CE2 3.3Å; E352-S488 WeakPolarHBondContact CA-O 3.29Å; E352-S488 WeakPolarHBondContact CB-O 3.25Å; E352-S488 PolarHBondContact O-N 3.28Å; E352-S488 VanDerWaalsContact O-O 3.13Å
353	L	89.1	Confident	81.4	Confident	24 Å²	24	65.9 Å²	65.9	13%	0.126	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	120.9	-175.5	-178.8	75.7	0	0	0	111.6	L193 V343 K351 R485 I486 F487	L193-L353 HydrophobicContact CD2-CD1 4.38Å; V343-L353 HydrophobicContact CB-CB 4.25Å; V343-L353 HydrophobicContact CB-CD2 3.96Å; V343-L353 HydrophobicContact CG1-CD1 4.45Å; V343-L353 HydrophobicContact CG1-CD2 4.4Å; V343-L353 HydrophobicContact CG2-CD2 3.76Å; K351-L353 VanDerWaalsContact C-N 3.28Å; K351-L353 WeakPolarHBondContact CE-O 3.3Å; K351-L353 VanDerWaalsContact CG-O 3.31Å; K351-L353 WeakPolarHBondContact CG-O 3.35Å; L353-R485 HydrophobicContact CD1-CB 4.15Å; L353-R485 VanDerWaalsContact CD2-NH2 3.28Å; L353-I486 WeakPolarHBondContact CA-O 3.21Å; L353-F487 HydrophobicContact CD1-CB 4.01Å
354	E	91.8	Very high	81.8	Confident	37 Å²	37	73 Å²	73	17%	0.173	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	147.1	164.3	-72.5	-59.8	149.2	0	0	110.7	K351 R485 I486 V492 L494	K351-E354 VanDerWaalsContact CD-OE1 3.3Å; K351-E354 WeakPolarHBondContact CD-OE1 3.33Å; K351-E354 VanDerWaalsContact CE-OE1 3.23Å; K351-E354 WeakPolarHBondContact CE-OE1 3Å; K351-E354 IonicContact NZ-OE1 2.99Å; K351-E354 PolarHBondContact NZ-OE1 2.78Å; K351-E354 IonicContact NZ-OE2 2.78Å; K351-E354 PolarHBondContact NZ-OE2 3.49Å; E354-R485 CarbonylContact O-C 3.44Å; E354-R485 WeakPolarHBondContact O-CA 3.36Å; E354-I486 PolarHBondContact N-O 3.42Å; E354-I486 PolarHBondContact O-N 2.74Å; E354-V492 HydrophobicContact CG-CG2 4.22Å; E354-V492 VanDerWaalsContact CG-O 3.28Å; E354-V492 WeakPolarHBondContact CG-O 3.34Å; E354-L494 HydrophobicContact CB-CB 3.71Å; E354-L494 HydrophobicContact CB-CD2 4Å; E354-L494 HydrophobicContact CG-CB 4Å
355	S	92.8	Very high	82.9	Confident	52 Å²	52	72.9 Å²	72.9	36%	0.364	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	137.4	-179.4	-59.5	0	0	0	0	110.8	L484	S355-L484 CarbonylContact C-O 3.56Å; S355-L484 VanDerWaalsContact CA-O 3.25Å; S355-L484 WeakPolarHBondContact CA-O 3.42Å
356	V	95.1	Very high	84.2	Confident	37 Å²	37	71.6 Å²	71.6	22%	0.224	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	132	179.3	177.6	0	0	0	0	109.8	Y387 L484 L494	V356-Y387 HydrophobicContact CB-CE1 4.19Å; V356-Y387 HydrophobicContact CG1-CD1 4.45Å; V356-Y387 HydrophobicContact CG1-CE1 3.6Å; V356-L484 PolarHBondContact N-O 3.09Å; V356-L484 PolarHBondContact O-N 3.24Å; V356-L494 HydrophobicContact CB-CD2 4.46Å; V356-L494 HydrophobicContact CG2-CD2 3.74Å; V356-L494 HydrophobicContact CG2-CG 4.12Å
357	L	96.5	Very high	85.7	Confident	103 Å²	103	72.2 Å²	72.2	54%	0.539	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	121.4	167.4	-171.1	69.2	0	0	0	108.3	F128	F128-L357 HydrophobicContact CD1-CD1 4.05Å; F128-L357 HydrophobicContact CE1-CD1 3.43Å; F128-L357 VanDerWaalsContact CE1-CD1 3.43Å; F128-L357 HydrophobicContact CZ-CD1 4Å
358	G	96.6	Very high	87.5	Confident	10 Å²	10	73.7 Å²	73.7	10%	0.103	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	174.6	177.7	0	0	0	0	0	111.9	Y387 E481 F482	G358-Y387 WeakPolarHBondContact CA-OH 3.39Å; G358-E481 WeakPolarHBondContact O-CA 3.4Å; G358-F482 PolarHBondContact N-O 3.35Å; G358-F482 PolarHBondContact O-N 3.27Å
359	C	96.8	Very high	89.5	Confident	44 Å²	44	65.1 Å²	65.1	30%	0.297	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	135.2	178	-167	0	0	0	0	110.1	T361 P385	C359-T361 HydrophobicContact CB-CG2 4.18Å; C359-P385 WeakPolarHBondContact O-CG 3.3Å
360	W	97.2	Very high	91.4	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122.5	159.6	-59.1	-70.2	0	0	0	107.2	R370 L402 I421 P471 M473 T479 S480 F482	W360-R370 WeakPolarHBondContact CA-O 3.2Å; W360-R370 VanDerWaalsContact CD1-O 3.25Å; W360-L402 HydrophobicContact CH2-CD2 4.33Å; W360-L402 HydrophobicContact CZ2-CD1 4.49Å; W360-L402 HydrophobicContact CZ2-CD2 4.13Å; W360-I421 HydrophobicContact CH2-CB 4.38Å; W360-I421 HydrophobicContact CH2-CG2 3.72Å; W360-I421 HydrophobicContact CZ3-CG2 4.19Å; W360-P471 HydrophobicContact CZ2-CB 4.29Å; W360-P471 PolarHBondContact NE1-O 3.33Å; W360-M473 HydrophobicContact CB-CE 3.46Å; W360-M473 VanDerWaalsContact CB-CE 3.46Å; W360-M473 HydrophobicContact CD2-CE 3.79Å; W360-M473 HydrophobicContact CD2-CG 3.97Å; W360-M473 HydrophobicContact CD2-SD 4.31Å; W360-M473 HydrophobicContact CE3-CE 3.87Å; W360-M473 HydrophobicContact CE3-CG 3.76Å; W360-M473 HydrophobicContact CE3-SD 3.87Å; W360-M473 HydrophobicContact CG-CE 3.64Å; W360-M473 HydrophobicContact CH2-CG 4.14Å; W360-M473 HydrophobicContact CZ2-CG 4.34Å; W360-M473 HydrophobicContact CZ3-CG 3.85Å; W360-M473 HydrophobicContact CZ3-SD 4.32Å; W360-T479 WeakPolarHBondContact O-CA 3.37Å; W360-T479 WeakPolarHBondContact O-CG2 3.34Å; W360-S480 PolarHBondContact N-O 3.49Å; W360-S480 PolarHBondContact O-N 2.81Å; W360-S480 VanDerWaalsContact O-N 3.1Å; W360-F482 AromaticContact CD2-CD1 3.56Å; W360-F482 HydrophobicContact CD2-CD1 3.56Å; W360-F482 AromaticContact CD2-CE1 3.9Å; W360-F482 HydrophobicContact CD2-CE1 3.9Å; W360-F482 AromaticContact CE2-CD1 3.55Å; W360-F482 AromaticContact CE2-CE1 3.77Å; W360-F482 HydrophobicContact CE3-CB 4.49Å; W360-F482 AromaticContact CE3-CD1 3.69Å; W360-F482 HydrophobicContact CE3-CD1 3.69Å; W360-F482 HydrophobicContact CE3-CE1 4.46Å; W360-F482 HydrophobicContact CG-CD1 4.22Å; W360-F482 HydrophobicContact CG-CE1 4.12Å; W360-F482 HydrophobicContact CH2-CB 3.76Å; W360-F482 AromaticContact CH2-CD1 3.86Å; W360-F482 HydrophobicContact CH2-CD1 3.86Å; W360-F482 HydrophobicContact CH2-CG 4.05Å; W360-F482 HydrophobicContact CZ2-CB 4.33Å; W360-F482 AromaticContact CZ2-CD1 3.72Å; W360-F482 HydrophobicContact CZ2-CD1 3.72Å; W360-F482 HydrophobicContact CZ2-CE1 4.25Å; W360-F482 HydrophobicContact CZ2-CG 4.12Å; W360-F482 HydrophobicContact CZ3-CB 3.85Å; W360-F482 AromaticContact CZ3-CD1 3.85Å; W360-F482 HydrophobicContact CZ3-CD1 3.85Å; W360-F482 HydrophobicContact CZ3-CG 4.26Å; W360-F482 AromaticContact NE1-CE1 3.85Å
361	T	96.6	Very high	92.8	Very high	53 Å²	53	56.4 Å²	56.4	33%	0.325	31%	0.308	S	S	.	.			trans	-123.2	143.5	179.4	55.1	0	0	0	0	109.5	C359 N369 R370 S371	C359-T361 HydrophobicContact CB-CG2 4.18Å; T361-N369 PolarHBondContact O-OD1 3.11Å; T361-N369 VanDerWaalsContact O-OD1 3.05Å; T361-R370 CarbonylContact O-C 3.52Å; T361-R370 WeakPolarHBondContact O-CA 3.15Å; T361-R370 PolarHBondContact O-N 2.87Å; T361-R370 WeakPolarHBondContact OG1-CB 3.38Å; T361-S371 WeakPolarHBondContact O-CB 3.49Å; T361-S371 PolarHBondContact O-N 2.9Å; T361-S371 VanDerWaalsContact O-N 3.1Å
362	V	96.8	Very high	94.1	Very high	71 Å²	71	50.7 Å²	50.7	43%	0.43	28%	0.283	S	S	.	.			trans	-94.1	132.9	174.7	-175.6	0	0	0	0	108.5	N369	V362-N369 WeakPolarHBondContact CA-OD1 3.5Å
363	D	96.6	Very high	94.8	Very high	75 Å²	75	49.7 Å²	49.7	40%	0.401	28%	0.279	S	S	.	.			trans	-143.5	151.3	173.6	-157.2	-67.8	0	0	0	109	D365 M368 N369	D363-D365 PolarHBondContact OD1-N 2.91Å; D363-M368 HydrophobicContact CB-CB 3.9Å; D363-N369 HydrophobicContact CB-CB 4.35Å; D363-N369 PolarHBondContact N-OD1 2.89Å
364	D	93.6	Very high	95.1	Very high	165 Å²	165	48.7 Å²	48.7	88%	0.882	27%	0.274	S	S	*	.	S	Bend	trans	-75.6	-28.2	176.7	-68.4	-31.5	0	0	0	111.3	P366	D364-P366 WeakPolarHBondContact O-CD 3.38Å
365	D	93.8	Very high	95.2	Very high	75 Å²	75	50 Å²	50	40%	0.401	28%	0.278	S	S	.	.	S	Bend	trans	-77.9	117.3	172	-178.6	-10.1	0	0	0	109.9	D363 L367 M368 N369	D363-D365 PolarHBondContact OD1-N 2.91Å; D365-L367 PolarHBondContact O-N 3.04Å; D365-L367 VanDerWaalsContact O-N 3.09Å; D365-L367 WeakPolarHBondContact OD1-CB 3.37Å; D365-L367 PolarHBondContact OD1-N 2.99Å; D365-M368 HydrophobicContact CB-CB 4.1Å; D365-M368 HydrophobicContact CB-CG 4.09Å; D365-M368 CarbonylContact O-C 3.59Å; D365-M368 PolarHBondContact O-N 2.79Å; D365-N369 PolarHBondContact O-N 3.27Å
366	P	91.2	Very high	95.3	Very high	75 Å²	75	53.4 Å²	53.4	49%	0.487	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-28	178.4	-26.8	36.4	0	0	0	114.7	D364 M368	D364-P366 WeakPolarHBondContact O-CD 3.38Å; P366-M368 VanDerWaalsContact C-N 3.33Å
367	L	89.9	Confident	95.2	Very high	72 Å²	72	53.8 Å²	53.8	38%	0.377	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-22.1	177.9	-63.6	179.1	0	0	0	112.4	D365 R370	D365-L367 PolarHBondContact O-N 3.04Å; D365-L367 VanDerWaalsContact O-N 3.09Å; D365-L367 WeakPolarHBondContact OD1-CB 3.37Å; D365-L367 PolarHBondContact OD1-N 2.99Å; L367-R370 PolarHBondContact O-NH1 2.7Å; L367-R370 PolarHBondContact O-NH2 2.56Å
368	M	92.8	Very high	95	Very high	104 Å²	104	58.7 Å²	58.7	51%	0.512	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-21.8	178.3	-60.9	-61.6	-72.2	0	0	112.4	D363 D365 P366 R370	D363-M368 HydrophobicContact CB-CB 3.9Å; D365-M368 HydrophobicContact CB-CB 4.1Å; D365-M368 HydrophobicContact CB-CG 4.09Å; D365-M368 CarbonylContact O-C 3.59Å; D365-M368 PolarHBondContact O-N 2.79Å; P366-M368 VanDerWaalsContact C-N 3.33Å; M368-R370 PolarHBondContact O-N 2.94Å; M368-R370 PolarHBondContact O-NH1 2.8Å
369	N	95.6	Very high	94.7	Very high	15 Å²	15	65.6 Å²	65.6	8%	0.08	34%	0.338	C	S	.	.			trans	-61.2	133.8	175.5	-174.7	37.3	0	0	0	110.3	T361 V362 D363 D365 S371 Q383	T361-N369 PolarHBondContact O-OD1 3.11Å; T361-N369 VanDerWaalsContact O-OD1 3.05Å; V362-N369 WeakPolarHBondContact CA-OD1 3.5Å; D363-N369 HydrophobicContact CB-CB 4.35Å; D363-N369 PolarHBondContact N-OD1 2.89Å; D365-N369 PolarHBondContact O-N 3.27Å; N369-S371 PolarHBondContact OD1-N 2.7Å; N369-Q383 HydrophobicContact CB-CB 4.49Å; N369-Q383 PolarHBondContact ND2-OE1 3.23Å; N369-Q383 CarbonylContact O-C 3.54Å
370	R	97	Very high	94.6	Very high	30 Å²	30	65.3 Å²	65.3	11%	0.113	34%	0.335	C	S	.	.			trans	-123.9	17	176.4	-61.4	-68.7	173.6	-88.1	-2.9	111.3	W360 T361 L367 M368 Q383 N384 P385	W360-R370 WeakPolarHBondContact CA-O 3.2Å; W360-R370 VanDerWaalsContact CD1-O 3.25Å; T361-R370 CarbonylContact O-C 3.52Å; T361-R370 WeakPolarHBondContact O-CA 3.15Å; T361-R370 PolarHBondContact O-N 2.87Å; T361-R370 WeakPolarHBondContact OG1-CB 3.38Å; L367-R370 PolarHBondContact O-NH1 2.7Å; L367-R370 PolarHBondContact O-NH2 2.56Å; M368-R370 PolarHBondContact O-N 2.94Å; M368-R370 PolarHBondContact O-NH1 2.8Å; R370-Q383 WeakPolarHBondContact CA-O 3.48Å; R370-Q383 WeakPolarHBondContact CD-O 3.41Å; R370-N384 PolarHBondContact O-OD1 2.85Å; R370-P385 HydrophobicContact CB-CG 4.03Å; R370-P385 HydrophobicContact CG-CG 4.46Å; R370-P385 WeakPolarHBondContact O-CD 3.37Å
371	S	97.1	Very high	94.6	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.007	34%	0.336	C	S	.	.			trans	-124.2	67	-179.9	-164.1	0	0	0	0	110.6	T361 N369 M473 H476 G477 R478	T361-S371 WeakPolarHBondContact O-CB 3.49Å; T361-S371 PolarHBondContact O-N 2.9Å; T361-S371 VanDerWaalsContact O-N 3.1Å; N369-S371 PolarHBondContact OD1-N 2.7Å; S371-M473 WeakPolarHBondContact OG-CE 3.28Å; S371-H476 WeakPolarHBondContact O-CA 3.17Å; S371-H476 VanDerWaalsContact O-CB 3.3Å; S371-H476 WeakPolarHBondContact O-CB 3.44Å; S371-G477 PolarHBondContact O-N 3.13Å; S371-G477 PolarHBondContact OG-N 3.36Å; S371-R478 VanDerWaalsContact CB-O 3.25Å; S371-R478 WeakPolarHBondContact CB-O 3.5Å; S371-R478 PolarHBondContact OG-N 3.34Å; S371-R478 PolarHBondContact OG-O 2.96Å
372	G	96.9	Very high	94.6	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.324	C	S	.	.			trans	-87	-8.1	-169.8	0	0	0	0	0	115.6	T380 N384	G372-T380 WeakPolarHBondContact CA-O 3.43Å; G372-T380 CarbonylContact O-C 3.56Å; G372-T380 WeakPolarHBondContact O-CB 3.5Å; G372-T380 PolarHBondContact O-OG1 2.88Å; G372-N384 WeakPolarHBondContact CA-ND2 3.39Å; G372-N384 PolarHBondContact N-OD1 2.78Å
373	G	96.6	Very high	94.6	Very high	1 Å²	1	62 Å²	62	1%	0.01	31%	0.311	C	S	.	.			trans	76	179.3	-175.4	0	0	0	0	0	113.3	N384 T472 M473	G373-N384 PolarHBondContact N-ND2 2.84Å; G373-N384 PolarHBondContact O-ND2 3.44Å; G373-T472 WeakPolarHBondContact O-CG2 3.47Å; G373-M473 CarbonylContact C-O 3.44Å; G373-M473 VanDerWaalsContact CA-O 3.25Å; G373-M473 WeakPolarHBondContact CA-O 3.48Å
374	C	96.1	Very high	94.7	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.02	29%	0.292	C	S	.	.	S	Bend	trans	-72.7	176.1	-178.5	68.5	0	0	0	0	112.7	N376 N377 Y450 M473 F474	C374-N376 PolarHBondContact O-N 3.4Å; C374-N377 PolarHBondContact N-ND2 2.88Å; C374-N377 VanDerWaalsContact N-ND2 3.2Å; C374-N377 WeakPolarHBondContact O-CB 3.46Å; C374-N377 PolarHBondContact O-N 3.04Å; C374-N377 PolarHBondContact O-ND2 3.3Å; C374-N377 VanDerWaalsContact O-ND2 3.15Å; C374-Y450 HydrophobicContact CB-CD1 4.2Å; C374-Y450 HydrophobicContact CB-CE1 3.41Å; C374-Y450 VanDerWaalsContact CB-CE1 3.41Å; C374-M473 PolarHBondContact N-O 3.46Å; C374-F474 HydrophobicContact CB-CD2 4.22Å; C374-F474 PolarHBondContact N-O 3.14Å; C374-F474 PolarHBondContact SG-O 2.98Å
375	Y	94.4	Very high	94.9	Very high	65 Å²	65	50.6 Å²	50.6	26%	0.255	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-22	-177.8	-170	-101.7	0	0	0	115.3	N377 F381 E424 F426 L439	Y375-N377 PolarHBondContact O-N 3.03Å; Y375-F381 HydrophobicContact CD2-CD1 4.11Å; Y375-F381 AromaticContact CD2-CE1 3.94Å; Y375-F381 HydrophobicContact CD2-CE1 3.94Å; Y375-F381 HydrophobicContact CD2-CE2 4.41Å; Y375-F381 HydrophobicContact CD2-CG 4.46Å; Y375-F381 HydrophobicContact CD2-CZ 4.1Å; Y375-F381 HydrophobicContact CE2-CE1 4.49Å; Y375-E424 HydrophobicContact CD2-CG 4.33Å; Y375-F426 HydrophobicContact CD2-CZ 4.05Å; Y375-F426 HydrophobicContact CE2-CE1 4.15Å; Y375-F426 AromaticContact CE2-CZ 3.8Å; Y375-F426 HydrophobicContact CE2-CZ 3.8Å; Y375-L439 HydrophobicContact CE2-CD1 3.65Å
376	N	93.8	Very high	95.1	Very high	123 Å²	123	47 Å²	47	66%	0.658	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-25.2	175.7	-65	-16.7	0	0	0	112.5	C374 R378	C374-N376 PolarHBondContact O-N 3.4Å; N376-R378 VanDerWaalsContact C-N 3.33Å; N376-R378 PolarHBondContact O-N 3.09Å; N376-R378 VanDerWaalsContact O-N 3.16Å
377	N	93.8	Very high	95.4	Very high	45 Å²	45	43.5 Å²	43.5	24%	0.241	21%	0.209	C	C	.	.			trans	-88.1	68.7	177.3	-52.2	-78.7	0	0	0	109.8	C374 Y375 D379 T380 F381 F474	C374-N377 PolarHBondContact N-ND2 2.88Å; C374-N377 VanDerWaalsContact N-ND2 3.2Å; C374-N377 WeakPolarHBondContact O-CB 3.46Å; C374-N377 PolarHBondContact O-N 3.04Å; C374-N377 PolarHBondContact O-ND2 3.3Å; C374-N377 VanDerWaalsContact O-ND2 3.15Å; Y375-N377 PolarHBondContact O-N 3.03Å; N377-D379 PolarHBondContact O-N 3.36Å; N377-D379 VanDerWaalsContact O-N 3.11Å; N377-T380 WeakPolarHBondContact CB-OG1 3.32Å; N377-T380 PolarHBondContact O-N 3.16Å; N377-T380 VanDerWaalsContact O-N 3.12Å; N377-F381 WeakPolarHBondContact O-CA 3.06Å; N377-F381 WeakPolarHBondContact O-CB 3.49Å; N377-F381 PolarHBondContact O-N 3.49Å; N377-F474 PolarHBondContact ND2-O 3.11Å
378	R	91.3	Very high	95.8	Very high	205 Å²	205	40.3 Å²	40.3	77%	0.774	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-36.6	-167.9	-67.2	-172.2	179	-175.9	1.4	114.3	N376	N376-R378 VanDerWaalsContact C-N 3.33Å; N376-R378 PolarHBondContact O-N 3.09Å; N376-R378 VanDerWaalsContact O-N 3.16Å
379	D	91.6	Very high	95.9	Very high	155 Å²	155	35.4 Å²	35.4	83%	0.829	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-29.4	-175.5	-54.5	-38.1	0	0	0	112.9	N377	N377-D379 PolarHBondContact O-N 3.36Å; N377-D379 VanDerWaalsContact O-N 3.11Å
380	T	95	Very high	95.8	Very high	39 Å²	39	37.3 Å²	37.3	24%	0.239	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-15.7	-174.5	55.3	0	0	0	0	113.1	G372 N377 L382 Q383	G372-T380 WeakPolarHBondContact CA-O 3.43Å; G372-T380 CarbonylContact O-C 3.56Å; G372-T380 WeakPolarHBondContact O-CB 3.5Å; G372-T380 PolarHBondContact O-OG1 2.88Å; N377-T380 WeakPolarHBondContact CB-OG1 3.32Å; N377-T380 PolarHBondContact O-N 3.16Å; N377-T380 VanDerWaalsContact O-N 3.12Å; T380-L382 VanDerWaalsContact C-N 3.31Å; T380-L382 PolarHBondContact O-N 2.96Å; T380-Q383 WeakPolarHBondContact O-CB 3.35Å; T380-Q383 WeakPolarHBondContact O-CG 3.39Å; T380-Q383 PolarHBondContact O-N 3.41Å
381	F	96.9	Very high	95.6	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.018	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-52.2	-44	-174	166.5	-104.1	0	0	0	113.5	Y375 N377 Q383 N384 E424 F426 L439 V470 T472	Y375-F381 HydrophobicContact CD2-CD1 4.11Å; Y375-F381 AromaticContact CD2-CE1 3.94Å; Y375-F381 HydrophobicContact CD2-CE1 3.94Å; Y375-F381 HydrophobicContact CD2-CE2 4.41Å; Y375-F381 HydrophobicContact CD2-CG 4.46Å; Y375-F381 HydrophobicContact CD2-CZ 4.1Å; Y375-F381 HydrophobicContact CE2-CE1 4.49Å; N377-F381 WeakPolarHBondContact O-CA 3.06Å; N377-F381 WeakPolarHBondContact O-CB 3.49Å; N377-F381 PolarHBondContact O-N 3.49Å; F381-Q383 PolarHBondContact O-N 2.74Å; F381-N384 WeakPolarHBondContact O-CB 3.46Å; F381-N384 PolarHBondContact O-N 3.5Å; F381-N384 PolarHBondContact O-ND2 3.44Å; F381-E424 HydrophobicContact CE2-CB 4.3Å; F381-E424 HydrophobicContact CE2-CG 3.73Å; F381-E424 HydrophobicContact CZ-CB 3.75Å; F381-E424 HydrophobicContact CZ-CG 3.6Å; F381-F426 AromaticContact CE1-CE2 3.65Å; F381-F426 HydrophobicContact CE1-CE2 3.65Å; F381-F426 AromaticContact CE1-CZ 3.8Å; F381-F426 HydrophobicContact CE1-CZ 3.8Å; F381-F426 AromaticContact CZ-CE2 3.72Å; F381-F426 HydrophobicContact CZ-CE2 3.72Å; F381-F426 HydrophobicContact CZ-CZ 4.05Å; F381-L439 HydrophobicContact CE1-CD1 4.34Å; F381-V470 HydrophobicContact CE1-CG1 4.36Å; F381-V470 HydrophobicContact CE1-CG2 4.48Å; F381-V470 HydrophobicContact CE2-CB 4.3Å; F381-V470 HydrophobicContact CE2-CG1 3.93Å; F381-V470 HydrophobicContact CZ-CB 3.78Å; F381-V470 HydrophobicContact CZ-CG1 3.74Å; F381-V470 HydrophobicContact CZ-CG2 4.17Å; F381-T472 HydrophobicContact CD2-CG2 3.98Å; F381-T472 HydrophobicContact CE2-CG2 3.62Å
382	L	96.6	Very high	95.2	Very high	14 Å²	14	38 Å²	38	7%	0.073	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-76.9	-6.3	-179.6	-73.9	179.6	0	0	0	114.1	T380 N384 Q386 R435 L436 H437 L439 V470	T380-L382 VanDerWaalsContact C-N 3.31Å; T380-L382 PolarHBondContact O-N 2.96Å; L382-N384 PolarHBondContact O-N 3.08Å; L382-Q386 PolarHBondContact O-NE2 2.97Å; L382-R435 PolarHBondContact O-NH2 3.48Å; L382-R435 VanDerWaalsContact O-NH2 3.13Å; L382-L436 HydrophobicContact CD1-CB 4.09Å; L382-L436 HydrophobicContact CD2-CB 4.02Å; L382-H437 VanDerWaalsContact CD1-O 3.27Å; L382-H437 WeakPolarHBondContact CD1-O 3.34Å; L382-L439 HydrophobicContact CD1-CD2 4.17Å; L382-L439 HydrophobicContact CD1-CG 3.94Å; L382-L439 HydrophobicContact CD2-CD2 4.36Å; L382-V470 HydrophobicContact CD2-CG2 4.45Å
383	Q	96.3	Very high	94.7	Very high	35 Å²	35	43.3 Å²	43.3	16%	0.164	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-69.8	-25.4	171.2	-56.4	174.9	7.3	0	0	111.1	N369 R370 T380 F381 R435	N369-Q383 HydrophobicContact CB-CB 4.49Å; N369-Q383 PolarHBondContact ND2-OE1 3.23Å; N369-Q383 CarbonylContact O-C 3.54Å; R370-Q383 WeakPolarHBondContact CA-O 3.48Å; R370-Q383 WeakPolarHBondContact CD-O 3.41Å; T380-Q383 WeakPolarHBondContact O-CB 3.35Å; T380-Q383 WeakPolarHBondContact O-CG 3.39Å; T380-Q383 PolarHBondContact O-N 3.41Å; F381-Q383 PolarHBondContact O-N 2.74Å; Q383-R435 PolarHBondContact O-NH2 3.07Å
384	N	98.1	Very high	94.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-52.2	160.8	174.5	-70.8	-70.1	0	0	0	112.6	R370 G372 G373 F381 L382 R435 V470 T472	R370-N384 PolarHBondContact O-OD1 2.85Å; G372-N384 WeakPolarHBondContact CA-ND2 3.39Å; G372-N384 PolarHBondContact N-OD1 2.78Å; G373-N384 PolarHBondContact N-ND2 2.84Å; G373-N384 PolarHBondContact O-ND2 3.44Å; F381-N384 WeakPolarHBondContact O-CB 3.46Å; F381-N384 PolarHBondContact O-N 3.5Å; F381-N384 PolarHBondContact O-ND2 3.44Å; L382-N384 PolarHBondContact O-N 3.08Å; N384-R435 PolarHBondContact O-NH1 3.03Å; N384-R435 PolarHBondContact O-NH2 3.02Å; N384-V470 HydrophobicContact CB-CG1 3.71Å; N384-T472 HydrophobicContact CB-CG2 4.13Å; N384-T472 WeakPolarHBondContact ND2-CG2 3.41Å
385	P	98.3	Very high	93.4	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	26%	0.264	C	S	.	.			trans	-53.9	147.9	171.2	-26.3	37.4	0	0	0	110.7	C359 R370 Y387 P471 F482	C359-P385 WeakPolarHBondContact O-CG 3.3Å; R370-P385 HydrophobicContact CB-CG 4.03Å; R370-P385 HydrophobicContact CG-CG 4.46Å; R370-P385 WeakPolarHBondContact O-CD 3.37Å; P385-Y387 HydrophobicContact CB-CE2 3.69Å; P385-P471 HydrophobicContact CB-CG 4.4Å; P385-P471 WeakPolarHBondContact O-CD 3.24Å; P385-F482 HydrophobicContact CB-CZ 4.01Å; P385-F482 HydrophobicContact CG-CE1 3.99Å; P385-F482 HydrophobicContact CG-CZ 3.91Å
386	Q	98.2	Very high	92.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.261	C	S	.	.			trans	-132.2	126.1	-177.5	-63.2	-178	20.6	0	0	109.1	L382 L436 V468 V470 L497	L382-Q386 PolarHBondContact O-NE2 2.97Å; Q386-L436 PolarHBondContact NE2-O 3.07Å; Q386-V468 HydrophobicContact CB-CG1 3.98Å; Q386-V468 HydrophobicContact CG-CG1 4.43Å; Q386-V470 HydrophobicContact CG-CG2 4.28Å; Q386-L497 HydrophobicContact CB-CB 4.1Å; Q386-L497 HydrophobicContact CB-CD1 4.28Å; Q386-L497 PolarHBondContact O-N 2.94Å
387	Y	98.3	Very high	92.6	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.008	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.9	-177.6	-63.6	-85.9	0	0	0	110.1	V356 G358 P385 V468 L469 P471 F482 L484 R495 E496	V356-Y387 HydrophobicContact CB-CE1 4.19Å; V356-Y387 HydrophobicContact CG1-CD1 4.45Å; V356-Y387 HydrophobicContact CG1-CE1 3.6Å; G358-Y387 WeakPolarHBondContact CA-OH 3.39Å; P385-Y387 HydrophobicContact CB-CE2 3.69Å; Y387-V468 CarbonylContact O-C 3.23Å; Y387-V468 WeakPolarHBondContact O-CA 3.11Å; Y387-L469 PolarHBondContact N-O 2.99Å; Y387-L469 PolarHBondContact O-N 2.84Å; Y387-P471 HydrophobicContact CD2-CG 3.96Å; Y387-P471 HydrophobicContact CE2-CG 3.75Å; Y387-F482 AromaticContact CE2-CE2 3.8Å; Y387-F482 HydrophobicContact CE2-CE2 3.8Å; Y387-F482 AromaticContact CE2-CZ 3.84Å; Y387-F482 HydrophobicContact CE2-CZ 3.84Å; Y387-L484 HydrophobicContact CD1-CD2 4.26Å; Y387-L484 HydrophobicContact CD2-CD2 3.58Å; Y387-L484 HydrophobicContact CE2-CD2 4.15Å; Y387-L484 HydrophobicContact CG-CD2 3.62Å; Y387-R495 CarbonylContact C-O 3.33Å; Y387-R495 WeakPolarHBondContact CA-O 3.48Å; Y387-E496 HydrophobicContact CD1-CB 3.89Å; Y387-E496 HydrophobicContact CD1-CG 4.13Å; Y387-E496 HydrophobicContact CE1-CB 3.73Å; Y387-E496 HydrophobicContact CE1-CG 3.76Å
388	I	97.4	Very high	92.6	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139.4	177.4	-168.8	170.7	0	0	0	110.8	V428 R432 N466 Y467 V468 R495 L497	I388-V428 HydrophobicContact CD1-CG2 4.13Å; I388-R432 HydrophobicContact CD1-CB 3.89Å; I388-R432 HydrophobicContact CD1-CG 4.29Å; I388-N466 HydrophobicContact CD1-CB 4.32Å; I388-Y467 CarbonylContact C-O 3.54Å; I388-Y467 VanDerWaalsContact CA-O 3.25Å; I388-Y467 WeakPolarHBondContact CA-O 3.31Å; I388-Y467 WeakPolarHBondContact CG1-O 3.4Å; I388-V468 HydrophobicContact CB-CG2 4.14Å; I388-V468 HydrophobicContact CD1-CG2 4.4Å; I388-V468 HydrophobicContact CG1-CG2 4.17Å; I388-R495 HydrophobicContact CG2-CB 3.98Å; I388-R495 HydrophobicContact CG2-CG 3.98Å; I388-R495 VanDerWaalsContact CG2-CZ 3.47Å; I388-R495 PolarHBondContact N-O 3.46Å; I388-R495 PolarHBondContact O-N 2.82Å; I388-L497 HydrophobicContact CB-CD1 4.21Å; I388-L497 HydrophobicContact CB-CD2 4.2Å; I388-L497 HydrophobicContact CB-CG 4.12Å; I388-L497 HydrophobicContact CG2-CD2 3.7Å; I388-L497 HydrophobicContact CG2-CG 4.01Å
389	F	95.8	Very high	92.8	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	156.6	167.6	67.8	-84	0	0	0	112.4	V391 V398 M400 L425 L462 N466 Y467 L469 I486 V492 Q493 L494	F389-V391 HydrophobicContact CD2-CG2 4.17Å; F389-V391 HydrophobicContact CE2-CG2 3.81Å; F389-V398 HydrophobicContact CE2-CG1 4.16Å; F389-V398 HydrophobicContact CZ-CG1 4.43Å; F389-M400 HydrophobicContact CE1-SD 4.34Å; F389-M400 HydrophobicContact CZ-SD 4.04Å; F389-L425 HydrophobicContact CE1-CD1 3.63Å; F389-L425 HydrophobicContact CZ-CD1 3.79Å; F389-L462 HydrophobicContact CE2-CD1 3.99Å; F389-L462 HydrophobicContact CZ-CD1 4Å; F389-N466 WeakPolarHBondContact O-CA 3.4Å; F389-Y467 HydrophobicContact CE2-CD2 4.2Å; F389-Y467 HydrophobicContact CE2-CG 4.47Å; F389-Y467 HydrophobicContact CZ-CD2 4.48Å; F389-Y467 HydrophobicContact CZ-CG 4.29Å; F389-Y467 PolarHBondContact N-O 2.78Å; F389-Y467 PolarHBondContact O-N 3.31Å; F389-L469 HydrophobicContact CE1-CB 4.34Å; F389-I486 HydrophobicContact CD1-CD1 3.56Å; F389-I486 HydrophobicContact CE1-CD1 3.83Å; F389-I486 HydrophobicContact CG-CD1 4.05Å; F389-V492 HydrophobicContact CD2-CG1 4.47Å; F389-Q493 VanDerWaalsContact CA-O 3.23Å; F389-Q493 WeakPolarHBondContact CA-O 3.36Å; F389-Q493 WeakPolarHBondContact CB-O 3.49Å; F389-L494 HydrophobicContact CB-CD1 4.26Å
390	T	92.9	Very high	93	Very high	56 Å²	56	26 Å²	26	34%	0.344	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128	-179	-56.7	0	0	0	0	110.5	G465 N466	T390-G465 WeakPolarHBondContact CA-O 3.49Å; T390-N466 WeakPolarHBondContact CB-OD1 3.48Å; T390-N466 WeakPolarHBondContact CG2-OD1 3.38Å; T390-N466 PolarHBondContact OG1-OD1 3.27Å
391	V	91.8	Very high	93.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	117.5	169.1	-178.7	0	0	0	0	107.7	F389 E393 V398 L462 K464 G465 Y467	F389-V391 HydrophobicContact CD2-CG2 4.17Å; F389-V391 HydrophobicContact CE2-CG2 3.81Å; V391-E393 VanDerWaalsContact CG1-O 3.25Å; V391-E393 WeakPolarHBondContact CG1-O 3.48Å; V391-V398 HydrophobicContact CG2-CG2 4.23Å; V391-L462 HydrophobicContact CG2-CB 4.07Å; V391-L462 HydrophobicContact CG2-CD1 4.05Å; V391-K464 WeakPolarHBondContact O-CA 3.3Å; V391-G465 PolarHBondContact N-O 3.09Å; V391-G465 PolarHBondContact O-N 3.47Å; V391-Y467 HydrophobicContact CB-CE2 4.03Å; V391-Y467 HydrophobicContact CG2-CD2 3.81Å; V391-Y467 HydrophobicContact CG2-CE2 3.65Å
392	P	88.5	Confident	93.1	Very high	44 Å²	44	24.2 Å²	24.2	29%	0.286	14%	0.138	S	C	.	.			trans	-77.8	-24.5	-169.6	28.1	-34.2	0	0	0	114.2	K464 V490	P392-K464 WeakPolarHBondContact O-CD 3.44Å; P392-K464 VanDerWaalsContact O-CE 3.29Å; P392-K464 WeakPolarHBondContact O-CE 3.33Å; P392-K464 WeakPolarHBondContact O-CG 3.12Å; P392-V490 HydrophobicContact CG-CB 4.08Å; P392-V490 HydrophobicContact CG-CG1 3.35Å
393	E	86.9	Confident	93	Very high	112 Å²	112	23.9 Å²	23.9	52%	0.523	14%	0.136	S	C	.	.	S	Bend	trans	-145	157.1	-171.3	-69.3	176.2	-173.1	0	0	110.8	V391 H396	V391-E393 VanDerWaalsContact CG1-O 3.25Å; V391-E393 WeakPolarHBondContact CG1-O 3.48Å; E393-H396 WeakPolarHBondContact CB-NE2 3.42Å; E393-H396 PolarHBondContact O-CD2 3.13Å; E393-H396 IonicContact OE2-CE1 3.09Å; E393-H396 IonicContact OE2-NE2 3.47Å; E393-H396 PolarHBondContact OE2-NE2 2.89Å
394	D	86.4	Confident	92.9	Very high	110 Å²	110	22.2 Å²	22.2	59%	0.588	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	150.3	179.4	-66.5	-30.1	0	0	0	112.2	K463 K464	D394-K463 WeakPolarHBondContact OD1-CA 3.09Å; D394-K464 VanDerWaalsContact OD1-CB 3.3Å; D394-K464 WeakPolarHBondContact OD1-CB 3.31Å; D394-K464 PolarHBondContact OD1-N 3.24Å
395	G	80.1	Confident	92.6	Very high	50 Å²	50	26.1 Å²	26.1	52%	0.515	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	14.2	165.3	0	0	0	0	0	114.7	Y461 L462	G395-Y461 VanDerWaalsContact O-CD1 3.3Å; G395-Y461 WeakPolarHBondContact O-CD1 3.31Å; G395-L462 PolarHBondContact N-O 2.85Å
396	H	82.4	Confident	91.8	Very high	41 Å²	41	27 Å²	27	19%	0.19	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	134.4	174.8	-66.6	-64.3	0	0	0	111.3	E393 V398 Y461 L462 V490	E393-H396 WeakPolarHBondContact CB-NE2 3.42Å; E393-H396 PolarHBondContact O-CD2 3.13Å; E393-H396 IonicContact OE2-CE1 3.09Å; E393-H396 IonicContact OE2-NE2 3.47Å; E393-H396 PolarHBondContact OE2-NE2 2.89Å; H396-V398 PolarHBondContact O-N 3.49Å; H396-Y461 WeakPolarHBondContact O-CA 3.33Å; H396-L462 PolarHBondContact O-N 3.08Å; H396-L462 VanDerWaalsContact O-N 3.16Å; H396-V490 WeakPolarHBondContact CE1-CG2 3.18Å; H396-V490 WeakPolarHBondContact ND1-CG2 3.34Å
397	K	88.9	Confident	91	Very high	32 Å²	32	27.7 Å²	27.7	14%	0.139	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	124.1	173	-166.7	-180	-176.5	-174.2	0	108.5	E195 E217 S459 Y461	E195-K397 IonicContact OE1-NZ 2.63Å; E195-K397 PolarHBondContact OE1-NZ 3.49Å; E195-K397 VanDerWaalsContact OE1-NZ 3.11Å; E195-K397 IonicContact OE2-NZ 3.84Å; E195-K397 PolarHBondContact OE2-NZ 3.1Å; E217-K397 IonicContact OE2-NZ 3.55Å; E217-K397 PolarHBondContact OE2-NZ 2.81Å; K397-S459 WeakPolarHBondContact CE-OG 3.08Å; K397-Y461 HydrophobicContact CB-CD1 4.11Å; K397-Y461 HydrophobicContact CB-CE1 3.78Å; K397-Y461 HydrophobicContact CG-CE1 4.48Å
398	V	93.1	Very high	90	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.5	173.5	-177.4	0	0	0	0	108.1	F389 V391 H396 M400 S459 K460 L462 I486 F487	F389-V398 HydrophobicContact CE2-CG1 4.16Å; F389-V398 HydrophobicContact CZ-CG1 4.43Å; V391-V398 HydrophobicContact CG2-CG2 4.23Å; H396-V398 PolarHBondContact O-N 3.49Å; V398-M400 HydrophobicContact CG1-CE 4.39Å; V398-M400 HydrophobicContact CG1-CG 4.18Å; V398-M400 HydrophobicContact CG1-SD 4.47Å; V398-S459 WeakPolarHBondContact O-CA 3.49Å; V398-K460 PolarHBondContact N-O 3.28Å; V398-K460 PolarHBondContact O-N 3.29Å; V398-L462 HydrophobicContact CB-CD1 3.99Å; V398-L462 HydrophobicContact CB-CG 4.46Å; V398-L462 HydrophobicContact CG1-CD1 4.41Å; V398-L462 HydrophobicContact CG2-CB 4.48Å; V398-L462 HydrophobicContact CG2-CD1 3.97Å; V398-L462 HydrophobicContact CG2-CG 4.37Å; V398-I486 HydrophobicContact CG1-CG2 3.64Å; V398-F487 WeakPolarHBondContact CA-O 3.48Å
399	I	94.6	Very high	88.8	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.3	177.7	-54.4	174.6	0	0	0	107.5	L193 I486 F487	L193-I399 HydrophobicContact CD2-CB 4.16Å; L193-I399 HydrophobicContact CD2-CG2 3.9Å; I399-I486 CarbonylContact O-C 3.59Å; I399-I486 WeakPolarHBondContact O-CA 3.49Å; I399-F487 HydrophobicContact CB-CB 4.32Å; I399-F487 HydrophobicContact CB-CD1 4.37Å; I399-F487 HydrophobicContact CD1-CD1 3.93Å; I399-F487 HydrophobicContact CD1-CE1 4.41Å; I399-F487 HydrophobicContact CG1-CD1 4.25Å; I399-F487 PolarHBondContact N-O 3.23Å; I399-F487 PolarHBondContact O-N 3.21Å
400	M	96.3	Very high	87.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.4	177.6	-65.1	148.6	-72.7	0	0	108.2	F389 V398 F423 L425 F457 L458 L469 R485 I486	F389-M400 HydrophobicContact CE1-SD 4.34Å; F389-M400 HydrophobicContact CZ-SD 4.04Å; V398-M400 HydrophobicContact CG1-CE 4.39Å; V398-M400 HydrophobicContact CG1-CG 4.18Å; V398-M400 HydrophobicContact CG1-SD 4.47Å; M400-F423 HydrophobicContact CB-CE2 3.77Å; M400-F423 HydrophobicContact CB-CZ 3.62Å; M400-F423 HydrophobicContact SD-CE2 4.3Å; M400-L425 HydrophobicContact CE-CD2 4.26Å; M400-L425 HydrophobicContact SD-CD1 4.01Å; M400-L425 HydrophobicContact SD-CD2 4.08Å; M400-F457 CarbonylContact O-C 3.59Å; M400-F457 WeakPolarHBondContact O-CA 3.36Å; M400-F457 WeakPolarHBondContact O-CB 3.5Å; M400-L458 HydrophobicContact CE-CB 4.22Å; M400-L458 HydrophobicContact CE-CD2 4.02Å; M400-L458 HydrophobicContact CE-CG 4.06Å; M400-L458 WeakPolarHBondContact CE-O 3.49Å; M400-L458 PolarHBondContact N-O 3.35Å; M400-L458 PolarHBondContact O-N 2.92Å; M400-L469 HydrophobicContact CB-CD1 3.9Å; M400-L469 HydrophobicContact CG-CD1 3.72Å; M400-L469 HydrophobicContact SD-CD1 3.77Å; M400-R485 CarbonylContact C-O 3.49Å; M400-R485 WeakPolarHBondContact CA-O 3.41Å; M400-I486 HydrophobicContact CG-CD1 4.35Å; M400-I486 HydrophobicContact CG-CG1 4.13Å; M400-I486 HydrophobicContact CG-CG2 4.24Å
401	S	96.6	Very high	86.5	Confident	6 Å²	6	35.5 Å²	35.5	4%	0.042	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.2	178.6	173.9	0	0	0	0	109.7	T455 V456 L484 R485	S401-T455 VanDerWaalsContact OG-CG2 3.24Å; S401-T455 WeakPolarHBondContact OG-CG2 3.4Å; S401-V456 WeakPolarHBondContact CA-O 3.28Å; S401-L484 WeakPolarHBondContact O-CA 3.41Å; S401-R485 PolarHBondContact N-O 3.33Å; S401-R485 PolarHBondContact O-N 3.43Å
402	L	97.4	Very high	85.3	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117.1	175.3	176.9	67.8	0	0	0	107.9	W360 I421 F423 T455 V456 P471 F482	W360-L402 HydrophobicContact CH2-CD2 4.33Å; W360-L402 HydrophobicContact CZ2-CD1 4.49Å; W360-L402 HydrophobicContact CZ2-CD2 4.13Å; L402-I421 HydrophobicContact CD2-CB 4.38Å; L402-I421 HydrophobicContact CD2-CD1 4.4Å; L402-I421 HydrophobicContact CG-CD1 4.29Å; L402-F423 HydrophobicContact CB-CD1 3.72Å; L402-F423 HydrophobicContact CB-CE1 4Å; L402-F423 HydrophobicContact CD2-CB 4.44Å; L402-F423 HydrophobicContact CD2-CD1 4.1Å; L402-T455 WeakPolarHBondContact O-CA 3.45Å; L402-V456 HydrophobicContact CB-CG2 3.87Å; L402-V456 HydrophobicContact CD2-CG2 4.3Å; L402-V456 HydrophobicContact CG-CG2 4.46Å; L402-V456 PolarHBondContact N-O 3.27Å; L402-V456 PolarHBondContact O-N 3.45Å; L402-P471 HydrophobicContact CD1-CB 3.69Å; L402-P471 HydrophobicContact CD2-CB 3.82Å; L402-P471 HydrophobicContact CG-CB 4.39Å; L402-F482 HydrophobicContact CD1-CB 3.81Å; L402-F482 HydrophobicContact CD1-CD2 3.53Å; L402-F482 HydrophobicContact CD1-CE2 4.33Å; L402-F482 HydrophobicContact CD1-CG 3.83Å
403	Q	95.8	Very high	84.2	Confident	6 Å²	6	46.8 Å²	46.8	3%	0.028	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.8	177.3	-178.6	176.4	19.6	0	0	108.9	F128 R454 T455 F482 L483	F128-Q403 HydrophobicContact CD2-CG 4.08Å; F128-Q403 HydrophobicContact CE2-CG 4.17Å; Q403-R454 CarbonylContact C-O 3.49Å; Q403-R454 WeakPolarHBondContact CA-O 3.39Å; Q403-R454 HydrophobicContact CG-CG 4.37Å; Q403-T455 HydrophobicContact CB-CG2 4.26Å; Q403-T455 WeakPolarHBondContact CG-OG1 3.33Å; Q403-F482 CarbonylContact O-C 3.59Å; Q403-F482 WeakPolarHBondContact O-CA 3.48Å; Q403-F482 WeakPolarHBondContact O-CB 3.43Å; Q403-L483 HydrophobicContact CB-CB 4.35Å; Q403-L483 PolarHBondContact N-O 2.84Å; Q403-L483 PolarHBondContact O-N 3.44Å
404	Q	93.8	Very high	83.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	153	170.2	62.6	-170.2	-54.6	0	0	110.8	F128 D406 Y419 I421 T453 R454	F128-Q404 VanDerWaalsContact CE2-C 3.4Å; Q404-D406 PolarHBondContact O-N 2.08Å; Q404-Y419 PolarHBondContact NE2-O 2.94Å; Q404-I421 HydrophobicContact CB-CD1 4.09Å; Q404-I421 HydrophobicContact CB-CG2 4.48Å; Q404-I421 HydrophobicContact CG-CD1 4.1Å; Q404-T453 PolarHBondContact NE2-O 3.49Å; Q404-R454 PolarHBondContact N-O 3.41Å
405	K	90.8	Very high	82.4	Confident	82 Å²	82	46 Å²	46	36%	0.357	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-62.6	135.2	174.6	-172.2	167.5	178.2	171.2	0	109.7	F128 L407 E481	F128-K405 HydrophobicContact CD1-CB 4.45Å; F128-K405 HydrophobicContact CD1-CG 4.31Å; F128-K405 HydrophobicContact CE1-CB 3.8Å; F128-K405 HydrophobicContact CE1-CD 4.19Å; F128-K405 HydrophobicContact CE1-CG 4.05Å; F128-K405 HydrophobicContact CE2-CB 4.09Å; F128-K405 VanDerWaalsContact CE2-N 3.31Å; F128-K405 HydrophobicContact CZ-CB 3.61Å; F128-K405 HydrophobicContact CZ-CG 4.33Å; K405-L407 PolarHBondContact O-N 2.89Å; K405-E481 HydrophobicContact CB-CB 4.12Å; K405-E481 HydrophobicContact CD-CB 4.05Å; K405-E481 HydrophobicContact CD-CG 4.48Å; K405-E481 WeakPolarHBondContact CD-OE2 3.49Å; K405-E481 WeakPolarHBondContact CE-OE2 3.31Å; K405-E481 PolarHBondContact N-O 3.48Å; K405-E481 IonicContact NZ-OE1 3.5Å; K405-E481 IonicContact NZ-OE2 3.39Å; K405-E481 PolarHBondContact NZ-OE2 3.34Å
406	D	82.8	Confident	82	Confident	19 Å²	19	46.5 Å²	46.5	10%	0.102	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-65	121.8	-178.4	-161.4	-40.8	0	0	0	110.6	Q404 R408 R454	Q404-D406 PolarHBondContact O-N 2.08Å; D406-R408 WeakPolarHBondContact OD1-CB 3.46Å; D406-R408 WeakPolarHBondContact OD1-CG 3.44Å; D406-R408 PolarHBondContact OD1-N 2.82Å; D406-R408 IonicContact OD1-NH1 2.76Å; D406-R408 IonicContact OD2-CZ 3.28Å; D406-R408 IonicContact OD2-NH1 2.75Å; D406-R408 PolarHBondContact OD2-NH1 3.18Å; D406-R454 IonicContact OD2-NH1 2.63Å
407	L	79.8	Confident	81.7	Confident	15 Å²	15	46.8 Å²	46.8	8%	0.079	24%	0.235	C	C	.	.			trans	-102	4.6	-179.5	-60.1	178.8	0	0	0	113	K405 T409 Y410 Y419	K405-L407 PolarHBondContact O-N 2.89Å; L407-T409 PolarHBondContact O-N 2.84Å; L407-T409 VanDerWaalsContact O-N 3.11Å; L407-Y410 HydrophobicContact CB-CD2 4.36Å; L407-Y410 HydrophobicContact CD2-CD2 4.16Å; L407-Y410 HydrophobicContact CD2-CE2 4.25Å; L407-Y410 WeakPolarHBondContact O-CB 3.37Å; L407-Y410 PolarHBondContact O-N 2.65Å; L407-Y419 HydrophobicContact CD1-CD2 4.09Å; L407-Y419 HydrophobicContact CD1-CE2 3.45Å; L407-Y419 VanDerWaalsContact CD1-CE2 3.45Å
408	R	78.8	Confident	81.6	Confident	7 Å²	7	46.4 Å²	46.4	3%	0.026	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-60.9	-25.8	-174.4	-70.5	176.6	-179.6	115.7	-7.5	114	A176 G179 D406 Y410 R411 D417	A176-R408 WeakPolarHBondContact O-CD 3.42Å; G179-R408 PolarHBondContact O-NH2 3.45Å; D406-R408 WeakPolarHBondContact OD1-CB 3.46Å; D406-R408 WeakPolarHBondContact OD1-CG 3.44Å; D406-R408 PolarHBondContact OD1-N 2.82Å; D406-R408 IonicContact OD1-NH1 2.76Å; D406-R408 IonicContact OD2-CZ 3.28Å; D406-R408 IonicContact OD2-NH1 2.75Å; D406-R408 PolarHBondContact OD2-NH1 3.18Å; R408-Y410 PolarHBondContact O-N 3.3Å; R408-Y410 VanDerWaalsContact O-N 3.16Å; R408-R411 VanDerWaalsContact O-CB 3.32Å; R408-R411 WeakPolarHBondContact O-CB 3.46Å; R408-R411 WeakPolarHBondContact O-CG 3.41Å; R408-R411 PolarHBondContact O-N 3.11Å; R408-D417 HydrophobicContact CG-CB 4.12Å
409	T	71.5	Confident	81.5	Confident	84 Å²	84	47.7 Å²	47.7	52%	0.515	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-60.5	-22.1	172	51.5	0	0	0	0	113.3	L407	L407-T409 PolarHBondContact O-N 2.84Å; L407-T409 VanDerWaalsContact O-N 3.11Å
410	Y	69.4	Low	81.6	Confident	100 Å²	100	51.2 Å²	51.2	39%	0.392	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-95.7	4.5	176.5	-55.6	-76.8	0	0	0	113.8	L407 R408 R412 M413 R415	L407-Y410 HydrophobicContact CB-CD2 4.36Å; L407-Y410 HydrophobicContact CD2-CD2 4.16Å; L407-Y410 HydrophobicContact CD2-CE2 4.25Å; L407-Y410 WeakPolarHBondContact O-CB 3.37Å; L407-Y410 PolarHBondContact O-N 2.65Å; R408-Y410 PolarHBondContact O-N 3.3Å; R408-Y410 VanDerWaalsContact O-N 3.16Å; Y410-R412 PolarHBondContact O-N 3.4Å; Y410-M413 HydrophobicContact CD1-SD 3.96Å; Y410-M413 WeakPolarHBondContact O-CA 3.41Å; Y410-M413 WeakPolarHBondContact O-CB 3.46Å; Y410-M413 PolarHBondContact O-N 2.82Å; Y410-R415 PolarHBondContact O-N 3.5Å
411	R	71.8	Confident	81.6	Confident	37 Å²	37	51.2 Å²	51.2	14%	0.14	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-53.4	-41.7	175.1	-83.7	-172.9	-176.5	167.5	3	111.9	Y41 E175 D178 R408 M413 G414 D417	Y41-R411 HydrophobicContact CE2-CB 4.4Å; Y41-R411 WeakPolarHBondContact OH-CD 3.37Å; Y41-R411 PolarHBondContact OH-NH1 3.14Å; E175-R411 PolarHBondContact O-NH1 3.27Å; D178-R411 PolarHBondContact O-NH1 2.88Å; D178-R411 PolarHBondContact O-NH2 2.94Å; R408-R411 VanDerWaalsContact O-CB 3.32Å; R408-R411 WeakPolarHBondContact O-CB 3.46Å; R408-R411 WeakPolarHBondContact O-CG 3.41Å; R408-R411 PolarHBondContact O-N 3.11Å; R411-M413 PolarHBondContact O-N 3.45Å; R411-G414 PolarHBondContact O-N 2.87Å; R411-D417 WeakPolarHBondContact CD-OD1 3.38Å; R411-D417 WeakPolarHBondContact CG-OD1 3.18Å; R411-D417 IonicContact CZ-OD1 3.99Å; R411-D417 IonicContact CZ-OD2 3.19Å; R411-D417 IonicContact NE-OD1 3.71Å; R411-D417 PolarHBondContact NE-OD1 2.93Å; R411-D417 IonicContact NE-OD2 2.61Å; R411-D417 PolarHBondContact NE-OD2 3.22Å; R411-D417 VanDerWaalsContact NE-OD2 3.09Å; R411-D417 VanDerWaalsContact NH2-CG 3.34Å; R411-D417 IonicContact NH2-OD1 2.64Å; R411-D417 IonicContact NH2-OD2 2.69Å; R411-D417 PolarHBondContact NH2-OD2 2.99Å
412	R	66.3	Low	81.6	Confident	137 Å²	137	51 Å²	51	52%	0.517	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-58.3	-20.5	176.3	-65.3	-171.6	-177.4	-162.6	0.8	113.2	D37 Y41 Y410	D37-R412 PolarHBondContact O-NH2 2.83Å; D37-R412 IonicContact OD2-CZ 3.23Å; D37-R412 IonicContact OD2-NH1 3.67Å; D37-R412 PolarHBondContact OD2-NH1 2.93Å; D37-R412 IonicContact OD2-NH2 2.62Å; Y41-R412 HydrophobicContact CG-CG 4.13Å; Y410-R412 PolarHBondContact O-N 3.4Å
413	M	65.3	Low	81.7	Confident	144 Å²	144	51 Å²	51	71%	0.709	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-99.6	10.9	177.7	-55.6	-177	-177.4	0	0	112.9	Y410 R411 R415	Y410-M413 HydrophobicContact CD1-SD 3.96Å; Y410-M413 WeakPolarHBondContact O-CA 3.41Å; Y410-M413 WeakPolarHBondContact O-CB 3.46Å; Y410-M413 PolarHBondContact O-N 2.82Å; R411-M413 PolarHBondContact O-N 3.45Å; M413-R415 VanDerWaalsContact C-N 3.34Å; M413-R415 PolarHBondContact O-N 3.34Å
414	G	64.9	Low	81.8	Confident	72 Å²	72	50.8 Å²	50.8	74%	0.742	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	14.6	178.2	0	0	0	0	0	115	R411	R411-G414 PolarHBondContact O-N 2.87Å
415	R	69.5	Low	82	Confident	132 Å²	132	50.8 Å²	50.8	50%	0.498	26%	0.255	S	S	.	.			trans	-79.9	147.4	174.6	-69.1	-161.2	177.6	-166	-0.4	111.2	Y410 M413	Y410-R415 PolarHBondContact O-N 3.5Å; M413-R415 VanDerWaalsContact C-N 3.34Å; M413-R415 PolarHBondContact O-N 3.34Å
416	P	72.6	Confident	82.2	Confident	62 Å²	62	47 Å²	47	40%	0.403	24%	0.239	S	C	.	.			trans	-67.2	154.7	172.4	31.4	-36	0	0	0	110.6	N418 Y419	P416-N418 VanDerWaalsContact C-N 3.33Å; P416-Y419 HydrophobicContact CG-CD1 4.17Å; P416-Y419 HydrophobicContact CG-CE1 3.85Å
417	D	75.2	Confident	82.8	Confident	47 Å²	47	47.9 Å²	47.9	25%	0.251	24%	0.242	S	C	.	.	S	Bend	trans	-67.9	-38.9	179.7	-59.4	-14.6	0	0	0	112.2	R408 R411	R408-D417 HydrophobicContact CG-CB 4.12Å; R411-D417 WeakPolarHBondContact CD-OD1 3.38Å; R411-D417 WeakPolarHBondContact CG-OD1 3.18Å; R411-D417 IonicContact CZ-OD1 3.99Å; R411-D417 IonicContact CZ-OD2 3.19Å; R411-D417 IonicContact NE-OD1 3.71Å; R411-D417 PolarHBondContact NE-OD1 2.93Å; R411-D417 IonicContact NE-OD2 2.61Å; R411-D417 PolarHBondContact NE-OD2 3.22Å; R411-D417 VanDerWaalsContact NE-OD2 3.09Å; R411-D417 VanDerWaalsContact NH2-CG 3.34Å; R411-D417 IonicContact NH2-OD1 2.64Å; R411-D417 IonicContact NH2-OD2 2.69Å; R411-D417 PolarHBondContact NH2-OD2 2.99Å
418	N	87.7	Confident	83.5	Confident	24 Å²	24	47.4 Å²	47.4	13%	0.128	24%	0.239	C	C	.	.			trans	-141.5	145.2	-174.3	-64	-43.3	0	0	0	108.5	P416 D452 R454	P416-N418 VanDerWaalsContact C-N 3.33Å; N418-D452 VanDerWaalsContact CB-O 3.23Å; N418-D452 WeakPolarHBondContact CB-O 2.75Å; N418-D452 PolarHBondContact ND2-O 3.42Å; N418-R454 PolarHBondContact ND2-N 3.07Å; N418-R454 WeakPolarHBondContact OD1-CA 3.35Å
419	Y	91.8	Very high	84.3	Confident	27 Å²	27	47 Å²	47	11%	0.106	24%	0.238	C	C	.	.			trans	-84.1	157.4	159.2	-58	-54.8	0	0	0	110.1	Q404 L407 P416 I421 M473	Q404-Y419 PolarHBondContact NE2-O 2.94Å; L407-Y419 HydrophobicContact CD1-CD2 4.09Å; L407-Y419 HydrophobicContact CD1-CE2 3.45Å; L407-Y419 VanDerWaalsContact CD1-CE2 3.45Å; P416-Y419 HydrophobicContact CG-CD1 4.17Å; P416-Y419 HydrophobicContact CG-CE1 3.85Å; Y419-I421 PolarHBondContact O-N 2.98Å; Y419-M473 HydrophobicContact CD2-SD 3.82Å; Y419-M473 HydrophobicContact CE2-SD 4.37Å; Y419-M473 HydrophobicContact CG-SD 4.22Å
420	I	94.9	Very high	85.3	Confident	75 Å²	75	45.9 Å²	45.9	39%	0.385	23%	0.228	S	C	.	.			trans	-70.1	115.5	166.5	-57.6	171.2	0	0	0	107.1	Y450 D452 F474	I420-Y450 HydrophobicContact CG2-CD1 4.5Å; I420-D452 HydrophobicContact CG1-CB 3.99Å; I420-F474 HydrophobicContact CB-CB 3.71Å; I420-F474 HydrophobicContact CB-CG 4.46Å; I420-F474 HydrophobicContact CG2-CB 3.67Å; I420-F474 HydrophobicContact CG2-CD2 4.23Å; I420-F474 HydrophobicContact CG2-CG 4.12Å; I420-F474 WeakPolarHBondContact O-CB 3.47Å; I420-F474 PolarHBondContact O-N 3.41Å
421	I	96.9	Very high	86.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	156.7	-178.6	59.4	168.7	0	0	0	111	W360 L402 Q404 Y419 Y450 I451 V456 T472 M473	W360-I421 HydrophobicContact CH2-CB 4.38Å; W360-I421 HydrophobicContact CH2-CG2 3.72Å; W360-I421 HydrophobicContact CZ3-CG2 4.19Å; L402-I421 HydrophobicContact CD2-CB 4.38Å; L402-I421 HydrophobicContact CD2-CD1 4.4Å; L402-I421 HydrophobicContact CG-CD1 4.29Å; Q404-I421 HydrophobicContact CB-CD1 4.09Å; Q404-I421 HydrophobicContact CB-CG2 4.48Å; Q404-I421 HydrophobicContact CG-CD1 4.1Å; Y419-I421 PolarHBondContact O-N 2.98Å; I421-Y450 WeakPolarHBondContact O-CA 3.2Å; I421-I451 PolarHBondContact N-O 3.09Å; I421-I451 PolarHBondContact O-N 3.46Å; I421-V456 HydrophobicContact CD1-CG1 4.44Å; I421-V456 HydrophobicContact CD1-CG2 4.13Å; I421-V456 HydrophobicContact CG1-CG1 4.01Å; I421-V456 HydrophobicContact CG1-CG2 4.11Å; I421-T472 WeakPolarHBondContact CA-O 3.31Å; I421-M473 HydrophobicContact CG2-CG 4.1Å
422	G	97.7	Very high	87.6	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	175.1	175.9	0	0	0	0	0	111.1	S448 T472	G422-S448 WeakPolarHBondContact CA-OG 3.14Å; G422-T472 PolarHBondContact N-O 3.14Å; G422-T472 PolarHBondContact O-N 3.06Å; G422-T472 PolarHBondContact O-OG1 3.47Å
423	F	98.1	Very high	88.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	153.6	176.7	59.8	-94.5	0	0	0	112.2	M400 L402 S448 V456 L458 L469 V470 P471	M400-F423 HydrophobicContact CB-CE2 3.77Å; M400-F423 HydrophobicContact CB-CZ 3.62Å; M400-F423 HydrophobicContact SD-CE2 4.3Å; L402-F423 HydrophobicContact CB-CD1 3.72Å; L402-F423 HydrophobicContact CB-CE1 4Å; L402-F423 HydrophobicContact CD2-CB 4.44Å; L402-F423 HydrophobicContact CD2-CD1 4.1Å; F423-S448 PolarHBondContact N-OG 2.73Å; F423-S448 PolarHBondContact O-N 3.32Å; F423-V456 HydrophobicContact CD1-CG2 4.19Å; F423-V456 HydrophobicContact CE1-CG2 4.17Å; F423-L458 HydrophobicContact CE2-CB 3.67Å; F423-L458 HydrophobicContact CE2-CD2 4.08Å; F423-L458 HydrophobicContact CZ-CB 3.49Å; F423-L458 VanDerWaalsContact CZ-CB 3.49Å; F423-L469 HydrophobicContact CB-CD2 3.86Å; F423-L469 HydrophobicContact CB-CG 4.41Å; F423-L469 HydrophobicContact CD2-CD1 3.9Å; F423-L469 HydrophobicContact CD2-CD2 4.11Å; F423-L469 HydrophobicContact CD2-CG 3.85Å; F423-L469 HydrophobicContact CE2-CD1 4.03Å; F423-L469 HydrophobicContact CE2-CG 4.47Å; F423-L469 HydrophobicContact CG-CD2 4.08Å; F423-L469 HydrophobicContact CG-CG 4.34Å; F423-V470 VanDerWaalsContact CA-O 3.25Å; F423-V470 WeakPolarHBondContact CA-O 3.2Å; F423-V470 WeakPolarHBondContact CB-O 3.28Å; F423-P471 HydrophobicContact CB-CB 4.48Å
424	E	97.9	Very high	90.3	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.009	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	146.5	176.3	-59.9	-61.6	160.1	0	0	110.3	Y375 F381 F426 R444 T447 Y450 L469 V470	Y375-E424 HydrophobicContact CD2-CG 4.33Å; F381-E424 HydrophobicContact CE2-CB 4.3Å; F381-E424 HydrophobicContact CE2-CG 3.73Å; F381-E424 HydrophobicContact CZ-CB 3.75Å; F381-E424 HydrophobicContact CZ-CG 3.6Å; E424-F426 HydrophobicContact CB-CD2 4.38Å; E424-F426 HydrophobicContact CB-CE2 3.53Å; E424-F426 HydrophobicContact CB-CZ 3.88Å; E424-F426 HydrophobicContact CG-CE2 4.46Å; E424-F426 HydrophobicContact CG-CZ 4.47Å; E424-R444 IonicContact OE1-CZ 3.88Å; E424-R444 IonicContact OE1-NH2 3.05Å; E424-R444 PolarHBondContact OE1-NH2 2.71Å; E424-R444 IonicContact OE2-CZ 3.34Å; E424-R444 IonicContact OE2-NE 3.11Å; E424-R444 PolarHBondContact OE2-NE 3.34Å; E424-R444 IonicContact OE2-NH2 3.52Å; E424-R444 PolarHBondContact OE2-NH2 3.03Å; E424-T447 PolarHBondContact OE1-OG1 3.31Å; E424-T447 VanDerWaalsContact OE2-CB 3.3Å; E424-T447 WeakPolarHBondContact OE2-CB 3.45Å; E424-T447 PolarHBondContact OE2-OG1 3.49Å; E424-Y450 PolarHBondContact OE1-OH 2.98Å; E424-L469 CarbonylContact O-C 3.46Å; E424-L469 WeakPolarHBondContact O-CA 3.42Å; E424-V470 PolarHBondContact N-O 3.35Å; E424-V470 VanDerWaalsContact N-O 3.11Å; E424-V470 PolarHBondContact O-N 3.23Å
425	L	97.5	Very high	91.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.8	177.6	-172	72.6	0	0	0	109.6	F389 M400 R444 A445 G446 L462 Y467 V468 L469	F389-L425 HydrophobicContact CE1-CD1 3.63Å; F389-L425 HydrophobicContact CZ-CD1 3.79Å; M400-L425 HydrophobicContact CE-CD2 4.26Å; M400-L425 HydrophobicContact SD-CD1 4.01Å; M400-L425 HydrophobicContact SD-CD2 4.08Å; L425-R444 CarbonylContact O-C 3.55Å; L425-A445 HydrophobicContact CB-CB 4.5Å; L425-A445 HydrophobicContact CD2-CB 3.98Å; L425-A445 HydrophobicContact CG-CB 4.08Å; L425-A445 PolarHBondContact O-N 3.23Å; L425-G446 PolarHBondContact N-O 2.98Å; L425-G446 PolarHBondContact O-N 2.97Å; L425-L462 HydrophobicContact CD2-CD1 3.96Å; L425-L462 HydrophobicContact CD2-CD2 3.9Å; L425-Y467 HydrophobicContact CD1-CD1 4.5Å; L425-Y467 HydrophobicContact CD1-CG 4.47Å; L425-Y467 HydrophobicContact CD2-CD1 4.16Å; L425-Y467 HydrophobicContact CG-CD1 4.16Å; L425-V468 WeakPolarHBondContact CA-O 3.13Å; L425-L469 HydrophobicContact CD1-CB 4.1Å
426	F	96.7	Very high	93	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.009	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	135.5	176.7	-60.5	-82	0	0	0	110.6	Y375 F381 E424 V428 L439 Q442 E443 R444 Y467 V468 V470	Y375-F426 HydrophobicContact CD2-CZ 4.05Å; Y375-F426 HydrophobicContact CE2-CE1 4.15Å; Y375-F426 AromaticContact CE2-CZ 3.8Å; Y375-F426 HydrophobicContact CE2-CZ 3.8Å; F381-F426 AromaticContact CE1-CE2 3.65Å; F381-F426 HydrophobicContact CE1-CE2 3.65Å; F381-F426 AromaticContact CE1-CZ 3.8Å; F381-F426 HydrophobicContact CE1-CZ 3.8Å; F381-F426 AromaticContact CZ-CE2 3.72Å; F381-F426 HydrophobicContact CZ-CE2 3.72Å; F381-F426 HydrophobicContact CZ-CZ 4.05Å; E424-F426 HydrophobicContact CB-CD2 4.38Å; E424-F426 HydrophobicContact CB-CE2 3.53Å; E424-F426 HydrophobicContact CB-CZ 3.88Å; E424-F426 HydrophobicContact CG-CE2 4.46Å; E424-F426 HydrophobicContact CG-CZ 4.47Å; F426-V428 HydrophobicContact CB-CG1 4.29Å; F426-L439 HydrophobicContact CD1-CD1 4.44Å; F426-L439 HydrophobicContact CD1-CD2 4.01Å; F426-L439 HydrophobicContact CE1-CD1 3.64Å; F426-L439 HydrophobicContact CE1-CD2 4.03Å; F426-L439 HydrophobicContact CE1-CG 4.48Å; F426-L439 HydrophobicContact CE2-CD1 4.46Å; F426-L439 HydrophobicContact CG-CD2 4.29Å; F426-L439 HydrophobicContact CZ-CD1 3.66Å; F426-L439 HydrophobicContact CZ-CD2 4.32Å; F426-Q442 HydrophobicContact CB-CB 4.38Å; F426-Q442 HydrophobicContact CD1-CB 4.47Å; F426-E443 CarbonylContact C-O 3.38Å; F426-E443 VanDerWaalsContact CA-O 3.31Å; F426-E443 WeakPolarHBondContact CA-O 3.38Å; F426-R444 HydrophobicContact CD1-CB 4.29Å; F426-R444 HydrophobicContact CE1-CB 4.1Å; F426-R444 HydrophobicContact CE1-CG 4.09Å; F426-Y467 CarbonylContact O-C 3.59Å; F426-Y467 WeakPolarHBondContact O-CA 3.41Å; F426-V468 PolarHBondContact N-O 3.46Å; F426-V468 PolarHBondContact O-N 3.14Å; F426-V470 HydrophobicContact CD2-CG2 4.23Å; F426-V470 HydrophobicContact CE2-CG2 4.18Å
427	K	94.6	Very high	93.9	Very high	38 Å²	38	23.5 Å²	23.5	17%	0.165	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130.6	166.6	-170	-179	176.2	-166.7	0	108.4	E443 A445 Y467	K427-E443 HydrophobicContact CB-CB 4.2Å; K427-E443 PolarHBondContact N-O 3.45Å; K427-A445 HydrophobicContact CB-CB 4.5Å; K427-Y467 HydrophobicContact CB-CD1 4.07Å; K427-Y467 HydrophobicContact CB-CE1 3.89Å; K427-Y467 HydrophobicContact CD-CE1 4.46Å; K427-Y467 HydrophobicContact CG-CD1 4.4Å; K427-Y467 HydrophobicContact CG-CE1 3.98Å
428	V	95	Very high	94.5	Very high	5 Å²	5	25 Å²	25	3%	0.03	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	179.9	-172	-58.4	0	0	0	0	111.7	I388 F426 R432 L436 Q442 N466 V468	I388-V428 HydrophobicContact CD1-CG2 4.13Å; F426-V428 HydrophobicContact CB-CG1 4.29Å; V428-R432 HydrophobicContact CG2-CB 4.17Å; V428-R432 HydrophobicContact CG2-CG 4.46Å; V428-L436 HydrophobicContact CG1-CD1 3.98Å; V428-L436 HydrophobicContact CG1-CD2 4.47Å; V428-Q442 HydrophobicContact CG1-CG 4.19Å; V428-N466 HydrophobicContact CG2-CB 3.74Å; V428-N466 PolarHBondContact N-O 3.04Å; V428-V468 HydrophobicContact CB-CG2 4.34Å; V428-V468 HydrophobicContact CG1-CB 3.99Å; V428-V468 HydrophobicContact CG1-CG2 3.68Å; V428-V468 HydrophobicContact CG2-CG2 3.83Å
429	E	94.9	Very high	94.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.125	C	C	.	.			trans	-62	142.1	-178.8	-53.5	91.3	148.8	0	0	112.7	N431 R432 N466 Q519 Q566 I568	E429-N431 PolarHBondContact O-N 3.36Å; E429-R432 HydrophobicContact CB-CB 4.35Å; E429-R432 WeakPolarHBondContact O-CB 3.17Å; E429-R432 PolarHBondContact O-N 3.49Å; E429-R432 VanDerWaalsContact O-N 3.13Å; E429-R432 IonicContact OE1-NH1 3.5Å; E429-R432 PolarHBondContact OE1-NH1 3.47Å; E429-R432 VanDerWaalsContact OE1-NH1 3.14Å; E429-R432 WeakPolarHBondContact OE2-CD 3.44Å; E429-R432 IonicContact OE2-NH1 3.11Å; E429-R432 PolarHBondContact OE2-NH1 3.16Å; E429-N466 PolarHBondContact O-ND2 2.83Å; E429-Q519 HydrophobicContact CG-CG 4.31Å; E429-Q519 VanDerWaalsContact OE1-CD 3.26Å; E429-Q519 WeakPolarHBondContact OE1-CG 3.22Å; E429-Q519 PolarHBondContact OE1-NE2 3.48Å; E429-Q566 WeakPolarHBondContact CA-O 3.44Å; E429-Q566 HydrophobicContact CB-CB 4.34Å; E429-Q566 HydrophobicContact CG-CB 3.86Å; E429-I568 HydrophobicContact CB-CB 4.3Å; E429-I568 HydrophobicContact CB-CG2 3.93Å; E429-I568 HydrophobicContact CG-CB 3.94Å; E429-I568 HydrophobicContact CG-CG2 4.07Å
430	M	92.5	Very high	93.8	Very high	60 Å²	60	29.4 Å²	29.4	30%	0.296	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.8	-178.4	-68	-61.1	-54.5	0	0	113.3	N466 V550 T565 Q566	M430-N466 VanDerWaalsContact CA-ND2 3.31Å; M430-N466 WeakPolarHBondContact CA-ND2 3.4Å; M430-N466 PolarHBondContact O-ND2 2.8Å; M430-V550 HydrophobicContact CB-CG1 3.57Å; M430-V550 HydrophobicContact CG-CG1 4.09Å; M430-T565 HydrophobicContact CG-CG2 4.32Å; M430-Q566 PolarHBondContact N-O 3Å
431	N	94.6	Very high	93.1	Very high	33 Å²	33	27.1 Å²	27.1	18%	0.176	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	20	-179.9	66.1	-27	0	0	0	113.6	E429 K433 V550 I568	E429-N431 PolarHBondContact O-N 3.36Å; N431-K433 PolarHBondContact O-N 2.96Å; N431-V550 HydrophobicContact CB-CG2 3.73Å; N431-V550 VanDerWaalsContact CG-CG2 3.46Å; N431-I568 PolarHBondContact ND2-O 2.69Å; N431-I568 PolarHBondContact OD1-N 2.97Å; N431-I568 PolarHBondContact OD1-O 2.8Å
432	R	94.4	Very high	92.7	Very high	2 Å²	2	28 Å²	28	1%	0.008	13%	0.129	C	C	.	.			trans	-58.9	120	178.9	-170.5	73.6	178	-162.1	19.1	111.5	I388 V428 E429 F434 R435 L436 R495 L641	I388-R432 HydrophobicContact CD1-CB 3.89Å; I388-R432 HydrophobicContact CD1-CG 4.29Å; V428-R432 HydrophobicContact CG2-CB 4.17Å; V428-R432 HydrophobicContact CG2-CG 4.46Å; E429-R432 HydrophobicContact CB-CB 4.35Å; E429-R432 WeakPolarHBondContact O-CB 3.17Å; E429-R432 PolarHBondContact O-N 3.49Å; E429-R432 VanDerWaalsContact O-N 3.13Å; E429-R432 IonicContact OE1-NH1 3.5Å; E429-R432 PolarHBondContact OE1-NH1 3.47Å; E429-R432 VanDerWaalsContact OE1-NH1 3.14Å; E429-R432 WeakPolarHBondContact OE2-CD 3.44Å; E429-R432 IonicContact OE2-NH1 3.11Å; E429-R432 PolarHBondContact OE2-NH1 3.16Å; R432-F434 PolarHBondContact NE-O 3.25Å; R432-R435 VanDerWaalsContact NH2-C 3.34Å; R432-R435 PolarHBondContact NH2-O 3.42Å; R432-L436 VanDerWaalsContact CZ-CD2 3.41Å; R432-L436 VanDerWaalsContact NH2-CA 3.32Å; R432-R495 PolarHBondContact O-NH2 2.85Å; R432-L641 PolarHBondContact NH1-O 3.19Å; R432-L641 PolarHBondContact NH1-OXT 2.97Å; R432-L641 PolarHBondContact NH2-O 3.19Å; R432-L641 PolarHBondContact NH2-OXT 3Å
433	K	94	Very high	92.3	Very high	111 Å²	111	33.3 Å²	33.3	48%	0.483	15%	0.154	S	C	.	.			trans	-112.2	-26.8	178.1	-70.9	171.1	-171.9	167.5	0	113.3	N431 R495 L497 E548	N431-K433 PolarHBondContact O-N 2.96Å; K433-R495 PolarHBondContact O-NH1 3.27Å; K433-R495 VanDerWaalsContact O-NH1 3.1Å; K433-L497 WeakPolarHBondContact O-CD2 3.3Å; K433-E548 IonicContact NZ-OE1 2.73Å
434	F	95.4	Very high	92.1	Very high	25 Å²	25	38.6 Å²	38.6	11%	0.11	17%	0.174	C	C	.	.	S	Bend	trans	-114.9	164.9	-170.3	-51.1	-73.9	0	0	0	111.9	R432 L499 M501 P502 Y570	R432-F434 PolarHBondContact NE-O 3.25Å; F434-L499 CarbonylContact C-O 3.53Å; F434-L499 WeakPolarHBondContact CA-O 3.27Å; F434-L499 VanDerWaalsContact CB-O 3.28Å; F434-L499 WeakPolarHBondContact CB-O 3.27Å; F434-L499 HydrophobicContact CD1-CB 3.72Å; F434-L499 HydrophobicContact CE1-CB 4.23Å; F434-L499 HydrophobicContact CE1-CD1 4.3Å; F434-M501 VanDerWaalsContact CD1-C 3.46Å; F434-M501 VanDerWaalsContact CE1-C 3.41Å; F434-M501 WeakPolarHBondContact CE1-O 3.21Å; F434-P502 HydrophobicContact CE1-CB 4.47Å; F434-P502 HydrophobicContact CE1-CG 4.29Å; F434-P502 HydrophobicContact CE2-CG 3.7Å; F434-P502 HydrophobicContact CZ-CB 3.95Å; F434-P502 HydrophobicContact CZ-CG 3.56Å; F434-Y570 HydrophobicContact CD2-CD2 4.02Å; F434-Y570 HydrophobicContact CD2-CE1 4.32Å; F434-Y570 AromaticContact CD2-CE2 3.26Å; F434-Y570 HydrophobicContact CD2-CE2 3.26Å; F434-Y570 AromaticContact CD2-CZ 3.42Å; F434-Y570 VanDerWaalsContact CD2-CZ 3.42Å; F434-Y570 WeakPolarHBondContact CD2-OH 3.31Å; F434-Y570 AromaticContact CE2-CD2 3.78Å; F434-Y570 HydrophobicContact CE2-CD2 3.78Å; F434-Y570 AromaticContact CE2-CE2 3.52Å; F434-Y570 HydrophobicContact CE2-CE2 3.52Å; F434-Y570 HydrophobicContact CE2-CG 4.43Å; F434-Y570 AromaticContact CE2-CZ 3.94Å; F434-Y570 HydrophobicContact CG-CE2 4.41Å
435	R	95.8	Very high	91.9	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.015	18%	0.176	C	C	.	.			trans	-61.4	146.3	179.8	-69	172.4	60.2	74.5	3.7	111.4	L382 Q383 N384 R432 H437 L497 L499 D500	L382-R435 PolarHBondContact O-NH2 3.48Å; L382-R435 VanDerWaalsContact O-NH2 3.13Å; Q383-R435 PolarHBondContact O-NH2 3.07Å; N384-R435 PolarHBondContact O-NH1 3.03Å; N384-R435 PolarHBondContact O-NH2 3.02Å; R432-R435 VanDerWaalsContact NH2-C 3.34Å; R432-R435 PolarHBondContact NH2-O 3.42Å; R435-H437 PolarHBondContact O-CD2 3.34Å; R435-L497 VanDerWaalsContact CD-O 3.27Å; R435-L497 WeakPolarHBondContact CD-O 3.28Å; R435-L497 HydrophobicContact CG-CB 3.81Å; R435-L497 WeakPolarHBondContact CG-O 3.47Å; R435-L497 PolarHBondContact NH1-O 2.76Å; R435-L499 PolarHBondContact N-O 3.14Å; R435-D500 VanDerWaalsContact CD-OD1 3.27Å; R435-D500 WeakPolarHBondContact CD-OD1 3.32Å; R435-D500 IonicContact NE-OD1 2.79Å; R435-D500 PolarHBondContact NE-OD1 2.9Å
436	L	94.5	Very high	91.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.181	C	C	.	.			trans	-76.3	134.7	167.1	-69.3	164	0	0	0	109.2	L382 Q386 V428 R432 Q442 V468	L382-L436 HydrophobicContact CD1-CB 4.09Å; L382-L436 HydrophobicContact CD2-CB 4.02Å; Q386-L436 PolarHBondContact NE2-O 3.07Å; V428-L436 HydrophobicContact CG1-CD1 3.98Å; V428-L436 HydrophobicContact CG1-CD2 4.47Å; R432-L436 VanDerWaalsContact CZ-CD2 3.41Å; R432-L436 VanDerWaalsContact NH2-CA 3.32Å; L436-Q442 HydrophobicContact CD2-CG 4.09Å; L436-V468 HydrophobicContact CD1-CB 3.94Å; L436-V468 HydrophobicContact CD1-CG1 3.93Å; L436-V468 HydrophobicContact CD1-CG2 4.11Å
437	H	91.1	Very high	91.8	Very high	39 Å²	39	42.2 Å²	42.2	18%	0.181	20%	0.199	C	C	.	.			trans	-117	-22.3	171.6	-60.9	-88.4	0	0	0	112.7	L382 R435 D500 T639	L382-H437 VanDerWaalsContact CD1-O 3.27Å; L382-H437 WeakPolarHBondContact CD1-O 3.34Å; R435-H437 PolarHBondContact O-CD2 3.34Å; H437-D500 IonicContact CE1-OD1 2.63Å; H437-D500 PolarHBondContact CE1-OD1 2.91Å; H437-D500 WeakPolarHBondContact NE2-CB 3.26Å; H437-D500 IonicContact NE2-OD1 3.18Å; H437-T639 WeakPolarHBondContact CB-O 3.48Å; H437-T639 PolarHBondContact CD2-O 2.77Å; H437-T639 VanDerWaalsContact CG-O 3.29Å
438	H	88.4	Confident	91.9	Very high	78 Å²	78	40.6 Å²	40.6	36%	0.361	19%	0.192	S	C	.	.			trans	-138	157.1	174.9	-60.2	-88.4	0	0	0	111.5	Y440 E640	H438-Y440 HydrophobicContact CB-CD2 3.75Å; H438-Y440 HydrophobicContact CB-CE2 3.26Å; H438-Y440 AromaticContact CG-CE2 3.82Å; H438-E640 WeakPolarHBondContact CB-O 3.37Å; H438-E640 PolarHBondContact CD2-O 2.92Å
439	L	85.9	Confident	91.8	Very high	57 Å²	57	45.3 Å²	45.3	30%	0.298	22%	0.221	S	C	.	.			trans	-113.9	81.4	178.2	-62.1	175.2	0	0	0	109.6	Y375 F381 L382 F426 Q442	Y375-L439 HydrophobicContact CE2-CD1 3.65Å; F381-L439 HydrophobicContact CE1-CD1 4.34Å; L382-L439 HydrophobicContact CD1-CD2 4.17Å; L382-L439 HydrophobicContact CD1-CG 3.94Å; L382-L439 HydrophobicContact CD2-CD2 4.36Å; F426-L439 HydrophobicContact CD1-CD1 4.44Å; F426-L439 HydrophobicContact CD1-CD2 4.01Å; F426-L439 HydrophobicContact CE1-CD1 3.64Å; F426-L439 HydrophobicContact CE1-CD2 4.03Å; F426-L439 HydrophobicContact CE1-CG 4.48Å; F426-L439 HydrophobicContact CE2-CD1 4.46Å; F426-L439 HydrophobicContact CG-CD2 4.29Å; F426-L439 HydrophobicContact CZ-CD1 3.66Å; F426-L439 HydrophobicContact CZ-CD2 4.32Å; L439-Q442 HydrophobicContact CD2-CB 4.21Å
440	Y	78.6	Confident	91.8	Very high	87 Å²	87	47.8 Å²	47.8	34%	0.341	23%	0.231	S	C	.	.	S	Bend	trans	-89.6	-41.5	179.7	-68.3	-70.1	0	0	0	113.1	H438 I633 E640 L641	H438-Y440 HydrophobicContact CB-CD2 3.75Å; H438-Y440 HydrophobicContact CB-CE2 3.26Å; H438-Y440 AromaticContact CG-CE2 3.82Å; Y440-I633 HydrophobicContact CG-CD1 4.47Å; Y440-E640 HydrophobicContact CE2-CG 3.77Å; Y440-E640 WeakPolarHBondContact CE2-O 3.45Å; Y440-E640 PolarHBondContact OH-OE1 3.44Å; Y440-L641 HydrophobicContact CD2-CD2 3.69Å; Y440-L641 HydrophobicContact CE2-CD2 3.87Å
441	I	80.2	Confident	91.8	Very high	26 Å²	26	48.4 Å²	48.4	13%	0.133	24%	0.235	C	C	.	.	S	Bend	trans	-138.3	-0.6	-171.2	70.1	179.7	0	0	0	113.5	Q519 T521 Q566 K631 I633	I441-Q519 HydrophobicContact CD1-CB 4.46Å; I441-Q519 HydrophobicContact CD1-CG 3.59Å; I441-Q519 HydrophobicContact CG1-CG 4.4Å; I441-T521 WeakPolarHBondContact CD1-OG1 3.21Å; I441-Q566 PolarHBondContact O-NE2 2.9Å; I441-K631 HydrophobicContact CG2-CD 3.88Å; I441-I633 HydrophobicContact CG2-CD1 3.51Å
442	Q	88.5	Confident	91.6	Very high	20 Å²	20	51.6 Å²	51.6	9%	0.093	25%	0.252	C	S	.	.			trans	-69.4	132.2	179.2	-69.9	77	8.5	0	0	110	F426 V428 L436 L439	F426-Q442 HydrophobicContact CB-CB 4.38Å; F426-Q442 HydrophobicContact CD1-CB 4.47Å; V428-Q442 HydrophobicContact CG1-CG 4.19Å; L436-Q442 HydrophobicContact CD2-CG 4.09Å; L439-Q442 HydrophobicContact CD2-CB 4.21Å
443	E	89.9	Confident	91.4	Very high	111 Å²	111	53.1 Å²	53.1	52%	0.519	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	126.1	175.8	-179.6	-165.9	163.5	0	0	109	F426 K427 A445	F426-E443 CarbonylContact C-O 3.38Å; F426-E443 VanDerWaalsContact CA-O 3.31Å; F426-E443 WeakPolarHBondContact CA-O 3.38Å; K427-E443 HydrophobicContact CB-CB 4.2Å; K427-E443 PolarHBondContact N-O 3.45Å; E443-A445 PolarHBondContact O-N 3.41Å
444	R	93.7	Very high	91.3	Very high	111 Å²	111	48 Å²	48	42%	0.419	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	93	170	-169.8	-179.8	-177.9	-166.4	3.3	109.1	E424 L425 F426 G446 T447	E424-R444 IonicContact OE1-CZ 3.88Å; E424-R444 IonicContact OE1-NH2 3.05Å; E424-R444 PolarHBondContact OE1-NH2 2.71Å; E424-R444 IonicContact OE2-CZ 3.34Å; E424-R444 IonicContact OE2-NE 3.11Å; E424-R444 PolarHBondContact OE2-NE 3.34Å; E424-R444 IonicContact OE2-NH2 3.52Å; E424-R444 PolarHBondContact OE2-NH2 3.03Å; L425-R444 CarbonylContact O-C 3.55Å; F426-R444 HydrophobicContact CD1-CB 4.29Å; F426-R444 HydrophobicContact CE1-CB 4.1Å; F426-R444 HydrophobicContact CE1-CG 4.09Å; R444-G446 VanDerWaalsContact C-N 3.3Å; R444-G446 PolarHBondContact O-N 3.46Å; R444-T447 VanDerWaalsContact NH2-CB 3.27Å; R444-T447 PolarHBondContact NH2-OG1 3.33Å
445	A	94.1	Very high	91.2	Very high	8 Å²	8	48.6 Å²	48.6	7%	0.066	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	-23.1	-177.4	0	0	0	0	0	112.9	L425 K427 E443 K460 Y467	L425-A445 HydrophobicContact CB-CB 4.5Å; L425-A445 HydrophobicContact CD2-CB 3.98Å; L425-A445 HydrophobicContact CG-CB 4.08Å; L425-A445 PolarHBondContact O-N 3.23Å; K427-A445 HydrophobicContact CB-CB 4.5Å; E443-A445 PolarHBondContact O-N 3.41Å; A445-K460 WeakPolarHBondContact O-CD 3.32Å; A445-K460 VanDerWaalsContact O-CE 3.24Å; A445-K460 WeakPolarHBondContact O-CE 3.47Å; A445-K460 PolarHBondContact O-NZ 2.92Å; A445-Y467 HydrophobicContact CB-CD1 3.91Å; A445-Y467 HydrophobicContact CB-CE1 3.8Å
446	G	94.9	Very high	91.2	Very high	10 Å²	10	48.7 Å²	48.7	10%	0.103	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	165.2	175.9	0	0	0	0	0	113.9	L425 R444	L425-G446 PolarHBondContact N-O 2.98Å; L425-G446 PolarHBondContact O-N 2.97Å; R444-G446 VanDerWaalsContact C-N 3.3Å; R444-G446 PolarHBondContact O-N 3.46Å
447	T	96.4	Very high	91.2	Very high	61 Å²	61	51.7 Å²	51.7	37%	0.374	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136.3	174.8	178.9	0	0	0	0	108	E424 R444	E424-T447 PolarHBondContact OE1-OG1 3.31Å; E424-T447 VanDerWaalsContact OE2-CB 3.3Å; E424-T447 WeakPolarHBondContact OE2-CB 3.45Å; E424-T447 PolarHBondContact OE2-OG1 3.49Å; R444-T447 VanDerWaalsContact NH2-CB 3.27Å; R444-T447 PolarHBondContact NH2-OG1 3.33Å
448	S	96.2	Very high	91.4	Very high	4 Å²	4	51.3 Å²	51.3	3%	0.028	26%	0.258	C	S	.	.			trans	-74.4	164	164.3	79.6	0	0	0	0	109.8	G422 F423	G422-S448 WeakPolarHBondContact CA-OG 3.14Å; F423-S448 PolarHBondContact N-OG 2.73Å; F423-S448 PolarHBondContact O-N 3.32Å
449	T	93.3	Very high	91.6	Very high	105 Å²	105	49.5 Å²	49.5	64%	0.644	25%	0.254	S	S	*	.			trans	-66.4	144.9	161.7	-51.5	0	0	0	0	108.9
450	Y	95.8	Very high	91.9	Very high	51 Å²	51	51 Å²	51	20%	0.2	26%	0.258	C	S	.	.			trans	-99.7	115.9	169.4	-78	-102.1	0	0	0	108.6	C374 I420 I421 E424 T472 F474	C374-Y450 HydrophobicContact CB-CD1 4.2Å; C374-Y450 HydrophobicContact CB-CE1 3.41Å; C374-Y450 VanDerWaalsContact CB-CE1 3.41Å; I420-Y450 HydrophobicContact CG2-CD1 4.5Å; I421-Y450 WeakPolarHBondContact O-CA 3.2Å; E424-Y450 PolarHBondContact OE1-OH 2.98Å; Y450-T472 VanDerWaalsContact CE1-OG1 3.27Å; Y450-T472 WeakPolarHBondContact CE1-OG1 3.37Å; Y450-T472 PolarHBondContact OH-OG1 3.04Å; Y450-F474 HydrophobicContact CD1-CB 4.34Å; Y450-F474 AromaticContact CD1-CD2 3.93Å; Y450-F474 HydrophobicContact CD1-CD2 3.93Å; Y450-F474 HydrophobicContact CG-CD2 4.28Å
451	I	93	Very high	92.6	Very high	73 Å²	73	51.7 Å²	51.7	37%	0.374	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-149.6	155.8	-176.8	-168.1	171	0	0	0	109.3	I421 T453 V456	I421-I451 PolarHBondContact N-O 3.09Å; I421-I451 PolarHBondContact O-N 3.46Å; I451-T453 HydrophobicContact CD1-CG2 4.04Å; I451-T453 HydrophobicContact CG1-CG2 4.05Å; I451-T453 HydrophobicContact CG2-CG2 3.92Å; I451-T453 WeakPolarHBondContact CG2-OG1 3.44Å; I451-T453 PolarHBondContact O-N 3.26Å; I451-T453 VanDerWaalsContact O-N 3.13Å; I451-V456 HydrophobicContact CG2-CG1 3.62Å
452	D	90.4	Very high	93.1	Very high	101 Å²	101	50.8 Å²	50.8	54%	0.54	26%	0.257	S	S	.	.	S	Bend	trans	-82.5	42.7	179.3	61.1	-16.4	0	0	0	113.1	N418 I420	N418-D452 VanDerWaalsContact CB-O 3.23Å; N418-D452 WeakPolarHBondContact CB-O 2.75Å; N418-D452 PolarHBondContact ND2-O 3.42Å; I420-D452 HydrophobicContact CG1-CB 3.99Å
453	T	90.1	Very high	93.2	Very high	34 Å²	34	56.8 Å²	56.8	21%	0.209	28%	0.282	C	S	.	.	S	Bend	trans	-98.7	159	173.9	61.2	0	0	0	0	111.5	Q404 I451 T455	Q404-T453 PolarHBondContact NE2-O 3.49Å; I451-T453 HydrophobicContact CD1-CG2 4.04Å; I451-T453 HydrophobicContact CG1-CG2 4.05Å; I451-T453 HydrophobicContact CG2-CG2 3.92Å; I451-T453 WeakPolarHBondContact CG2-OG1 3.44Å; I451-T453 PolarHBondContact O-N 3.26Å; I451-T453 VanDerWaalsContact O-N 3.13Å; T453-T455 PolarHBondContact O-N 2.82Å; T453-T455 PolarHBondContact OG1-O 3.15Å
454	R	91.8	Very high	93.2	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.008	28%	0.276	C	S	.	.	S	Bend	trans	-61.9	-33.6	175.5	-170.6	172.6	69.5	154.1	17	112.3	D184 D188 Q403 Q404 D406 N418	D184-R454 VanDerWaalsContact CA-NH2 3.32Å; D184-R454 PolarHBondContact O-NH2 3.43Å; D184-R454 VanDerWaalsContact O-NH2 3.13Å; D184-R454 IonicContact OD1-CZ 2.65Å; D184-R454 IonicContact OD1-NE 2.84Å; D184-R454 PolarHBondContact OD1-NE 2.89Å; D184-R454 IonicContact OD1-NH2 3.94Å; D184-R454 PolarHBondContact OD1-NH2 2.8Å; D184-R454 VanDerWaalsContact OD1-NH2 3.13Å; D188-R454 VanDerWaalsContact CG-NH2 3.29Å; D188-R454 IonicContact OD1-CZ 2.64Å; D188-R454 IonicContact OD1-NH1 3.65Å; D188-R454 IonicContact OD1-NH2 3.04Å; D188-R454 PolarHBondContact OD1-NH2 2.8Å; D188-R454 IonicContact OD2-CZ 3.09Å; D188-R454 IonicContact OD2-NH1 3.72Å; D188-R454 PolarHBondContact OD2-NH1 2.63Å; D188-R454 IonicContact OD2-NH2 3.49Å; D188-R454 PolarHBondContact OD2-NH2 3.41Å; D188-R454 VanDerWaalsContact OD2-NH2 3.15Å; Q403-R454 CarbonylContact C-O 3.49Å; Q403-R454 WeakPolarHBondContact CA-O 3.39Å; Q403-R454 HydrophobicContact CG-CG 4.37Å; Q404-R454 PolarHBondContact N-O 3.41Å; D406-R454 IonicContact OD2-NH1 2.63Å; N418-R454 PolarHBondContact ND2-N 3.07Å; N418-R454 WeakPolarHBondContact OD1-CA 3.35Å
455	T	93	Very high	93.1	Very high	38 Å²	38	50.4 Å²	50.4	23%	0.233	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	135.8	-178.8	-50.7	0	0	0	0	110.8	S401 L402 Q403 T453	S401-T455 VanDerWaalsContact OG-CG2 3.24Å; S401-T455 WeakPolarHBondContact OG-CG2 3.4Å; L402-T455 WeakPolarHBondContact O-CA 3.45Å; Q403-T455 HydrophobicContact CB-CG2 4.26Å; Q403-T455 WeakPolarHBondContact CG-OG1 3.33Å; T453-T455 PolarHBondContact O-N 2.82Å; T453-T455 PolarHBondContact OG1-O 3.15Å
456	V	95.1	Very high	93.1	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.042	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	153	168.1	-61.6	0	0	0	0	109.7	S401 L402 I421 F423 I451	S401-V456 WeakPolarHBondContact CA-O 3.28Å; L402-V456 HydrophobicContact CB-CG2 3.87Å; L402-V456 HydrophobicContact CD2-CG2 4.3Å; L402-V456 HydrophobicContact CG-CG2 4.46Å; L402-V456 PolarHBondContact N-O 3.27Å; L402-V456 PolarHBondContact O-N 3.45Å; I421-V456 HydrophobicContact CD1-CG1 4.44Å; I421-V456 HydrophobicContact CD1-CG2 4.13Å; I421-V456 HydrophobicContact CG1-CG1 4.01Å; I421-V456 HydrophobicContact CG1-CG2 4.11Å; F423-V456 HydrophobicContact CD1-CG2 4.19Å; F423-V456 HydrophobicContact CE1-CG2 4.17Å; I451-V456 HydrophobicContact CG2-CG1 3.62Å
457	F	95.3	Very high	93.1	Very high	63 Å²	63	50.4 Å²	50.4	28%	0.276	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	161.1	179.3	72.1	-84.9	0	0	0	111.8	E195 T196 M400	E195-F457 HydrophobicContact CB-CD2 3.94Å; E195-F457 HydrophobicContact CB-CE2 3.95Å; T196-F457 VanDerWaalsContact O-CZ 3.27Å; T196-F457 WeakPolarHBondContact O-CZ 3.33Å; M400-F457 CarbonylContact O-C 3.59Å; M400-F457 WeakPolarHBondContact O-CA 3.36Å; M400-F457 WeakPolarHBondContact O-CB 3.5Å
458	L	95.1	Very high	93.2	Very high	30 Å²	30	47.5 Å²	47.5	16%	0.157	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	127.1	169.5	178.3	64.6	0	0	0	108.3	M400 F423	M400-L458 HydrophobicContact CE-CB 4.22Å; M400-L458 HydrophobicContact CE-CD2 4.02Å; M400-L458 HydrophobicContact CE-CG 4.06Å; M400-L458 WeakPolarHBondContact CE-O 3.49Å; M400-L458 PolarHBondContact N-O 3.35Å; M400-L458 PolarHBondContact O-N 2.92Å; F423-L458 HydrophobicContact CE2-CB 3.67Å; F423-L458 HydrophobicContact CE2-CD2 4.08Å; F423-L458 HydrophobicContact CZ-CB 3.49Å; F423-L458 VanDerWaalsContact CZ-CB 3.49Å
459	S	92.9	Very high	93.3	Very high	40 Å²	40	47.3 Å²	47.3	28%	0.28	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.8	173.4	168.8	0	0	0	0	108.9	E195 K397 V398	E195-S459 WeakPolarHBondContact OE2-CB 3.49Å; E195-S459 PolarHBondContact OE2-OG 3.19Å; K397-S459 WeakPolarHBondContact CE-OG 3.08Å; V398-S459 WeakPolarHBondContact O-CA 3.49Å
460	K	92.2	Very high	93.6	Very high	89 Å²	89	42.3 Å²	42.3	39%	0.387	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	142.1	-178.6	-166.8	161.4	-175.6	156.4	0	112.3	V398 A445 L462	V398-K460 PolarHBondContact N-O 3.28Å; V398-K460 PolarHBondContact O-N 3.29Å; A445-K460 WeakPolarHBondContact O-CD 3.32Å; A445-K460 VanDerWaalsContact O-CE 3.24Å; A445-K460 WeakPolarHBondContact O-CE 3.47Å; A445-K460 PolarHBondContact O-NZ 2.92Å; K460-L462 HydrophobicContact CB-CD2 4.23Å; K460-L462 HydrophobicContact CD-CD2 4.07Å; K460-L462 HydrophobicContact CG-CD2 3.96Å; K460-L462 PolarHBondContact O-N 3.06Å
461	Y	91.8	Very high	93.7	Very high	102 Å²	102	39.9 Å²	39.9	40%	0.4	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	115.5	164.6	-69.6	-85.8	0	0	0	109.1	K213 E217 G395 H396 K397	K213-Y461 WeakPolarHBondContact CE-OH 3.45Å; E217-Y461 PolarHBondContact OE1-OH 3.13Å; G395-Y461 VanDerWaalsContact O-CD1 3.3Å; G395-Y461 WeakPolarHBondContact O-CD1 3.31Å; H396-Y461 WeakPolarHBondContact O-CA 3.33Å; K397-Y461 HydrophobicContact CB-CD1 4.11Å; K397-Y461 HydrophobicContact CB-CE1 3.78Å; K397-Y461 HydrophobicContact CG-CE1 4.48Å
462	L	92.1	Very high	93.9	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.037	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	147.3	-178.5	-63.9	180	0	0	0	110.5	F389 V391 G395 H396 V398 L425 K460 Y467	F389-L462 HydrophobicContact CE2-CD1 3.99Å; F389-L462 HydrophobicContact CZ-CD1 4Å; V391-L462 HydrophobicContact CG2-CB 4.07Å; V391-L462 HydrophobicContact CG2-CD1 4.05Å; G395-L462 PolarHBondContact N-O 2.85Å; H396-L462 PolarHBondContact O-N 3.08Å; H396-L462 VanDerWaalsContact O-N 3.16Å; V398-L462 HydrophobicContact CB-CD1 3.99Å; V398-L462 HydrophobicContact CB-CG 4.46Å; V398-L462 HydrophobicContact CG1-CD1 4.41Å; V398-L462 HydrophobicContact CG2-CB 4.48Å; V398-L462 HydrophobicContact CG2-CD1 3.97Å; V398-L462 HydrophobicContact CG2-CG 4.37Å; L425-L462 HydrophobicContact CD2-CD1 3.96Å; L425-L462 HydrophobicContact CD2-CD2 3.9Å; K460-L462 HydrophobicContact CB-CD2 4.23Å; K460-L462 HydrophobicContact CD-CD2 4.07Å; K460-L462 HydrophobicContact CG-CD2 3.96Å; K460-L462 PolarHBondContact O-N 3.06Å; L462-Y467 HydrophobicContact CB-CE2 4.2Å; L462-Y467 HydrophobicContact CD1-CD2 4.29Å; L462-Y467 HydrophobicContact CD1-CE1 4.47Å; L462-Y467 HydrophobicContact CD1-CE2 4.25Å; L462-Y467 HydrophobicContact CD1-CG 4.44Å; L462-Y467 HydrophobicContact CD2-CE1 4.1Å
463	K	89.8	Confident	94.2	Very high	145 Å²	145	31.8 Å²	31.8	63%	0.63	15%	0.15	S	C	*	.			trans	-77.5	159.9	167.8	-67	-176.3	179.9	178	0	109.4	D394 G465 Y467	D394-K463 WeakPolarHBondContact OD1-CA 3.09Å; K463-G465 PolarHBondContact O-N 3.3Å; K463-Y467 PolarHBondContact N-OH 3.2Å; K463-Y467 WeakPolarHBondContact O-CE2 3.49Å; K463-Y467 PolarHBondContact O-OH 3.27Å
464	K	90.2	Very high	94.4	Very high	87 Å²	87	34 Å²	34	38%	0.378	16%	0.157	S	C	.	.	S	Bend	trans	-52.8	132.9	169.9	177.9	175.7	-177.4	165.8	0	110.4	V391 P392 D394 P553	V391-K464 WeakPolarHBondContact O-CA 3.3Å; P392-K464 WeakPolarHBondContact O-CD 3.44Å; P392-K464 VanDerWaalsContact O-CE 3.29Å; P392-K464 WeakPolarHBondContact O-CE 3.33Å; P392-K464 WeakPolarHBondContact O-CG 3.12Å; D394-K464 VanDerWaalsContact OD1-CB 3.3Å; D394-K464 WeakPolarHBondContact OD1-CB 3.31Å; D394-K464 PolarHBondContact OD1-N 3.24Å; K464-P553 HydrophobicContact CD-CB 4.48Å; K464-P553 HydrophobicContact CD-CG 4Å
465	G	91.3	Very high	94.5	Very high	2 Å²	2	39 Å²	39	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.6	-177.8	178.8	0	0	0	0	0	113.2	T390 V391 K463	T390-G465 WeakPolarHBondContact CA-O 3.49Å; V391-G465 PolarHBondContact N-O 3.09Å; V391-G465 PolarHBondContact O-N 3.47Å; K463-G465 PolarHBondContact O-N 3.3Å
466	N	94.2	Very high	94.3	Very high	11 Å²	11	42.3 Å²	42.3	6%	0.059	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	141.2	173.4	-70.2	-12.1	0	0	0	110.3	I388 F389 T390 V428 E429 M430	I388-N466 HydrophobicContact CD1-CB 4.32Å; F389-N466 WeakPolarHBondContact O-CA 3.4Å; T390-N466 WeakPolarHBondContact CB-OD1 3.48Å; T390-N466 WeakPolarHBondContact CG2-OD1 3.38Å; T390-N466 PolarHBondContact OG1-OD1 3.27Å; V428-N466 HydrophobicContact CG2-CB 3.74Å; V428-N466 PolarHBondContact N-O 3.04Å; E429-N466 PolarHBondContact O-ND2 2.83Å; M430-N466 VanDerWaalsContact CA-ND2 3.31Å; M430-N466 WeakPolarHBondContact CA-ND2 3.4Å; M430-N466 PolarHBondContact O-ND2 2.8Å
467	Y	96.1	Very high	94.1	Very high	7 Å²	7	44 Å²	44	3%	0.027	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.3	179.1	-60.9	-92.6	0	0	0	110.5	I388 F389 V391 L425 F426 K427 A445 L462 K463	I388-Y467 CarbonylContact C-O 3.54Å; I388-Y467 VanDerWaalsContact CA-O 3.25Å; I388-Y467 WeakPolarHBondContact CA-O 3.31Å; I388-Y467 WeakPolarHBondContact CG1-O 3.4Å; F389-Y467 HydrophobicContact CE2-CD2 4.2Å; F389-Y467 HydrophobicContact CE2-CG 4.47Å; F389-Y467 HydrophobicContact CZ-CD2 4.48Å; F389-Y467 HydrophobicContact CZ-CG 4.29Å; F389-Y467 PolarHBondContact N-O 2.78Å; F389-Y467 PolarHBondContact O-N 3.31Å; V391-Y467 HydrophobicContact CB-CE2 4.03Å; V391-Y467 HydrophobicContact CG2-CD2 3.81Å; V391-Y467 HydrophobicContact CG2-CE2 3.65Å; L425-Y467 HydrophobicContact CD1-CD1 4.5Å; L425-Y467 HydrophobicContact CD1-CG 4.47Å; L425-Y467 HydrophobicContact CD2-CD1 4.16Å; L425-Y467 HydrophobicContact CG-CD1 4.16Å; F426-Y467 CarbonylContact O-C 3.59Å; F426-Y467 WeakPolarHBondContact O-CA 3.41Å; K427-Y467 HydrophobicContact CB-CD1 4.07Å; K427-Y467 HydrophobicContact CB-CE1 3.89Å; K427-Y467 HydrophobicContact CD-CE1 4.46Å; K427-Y467 HydrophobicContact CG-CD1 4.4Å; K427-Y467 HydrophobicContact CG-CE1 3.98Å; A445-Y467 HydrophobicContact CB-CD1 3.91Å; A445-Y467 HydrophobicContact CB-CE1 3.8Å; L462-Y467 HydrophobicContact CB-CE2 4.2Å; L462-Y467 HydrophobicContact CD1-CD2 4.29Å; L462-Y467 HydrophobicContact CD1-CE1 4.47Å; L462-Y467 HydrophobicContact CD1-CE2 4.25Å; L462-Y467 HydrophobicContact CD1-CG 4.44Å; L462-Y467 HydrophobicContact CD2-CE1 4.1Å; K463-Y467 PolarHBondContact N-OH 3.2Å; K463-Y467 WeakPolarHBondContact O-CE2 3.49Å; K463-Y467 PolarHBondContact O-OH 3.27Å
468	V	97.9	Very high	93.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	123.9	168.8	174.1	0	0	0	0	108.9	Q386 Y387 I388 L425 F426 V428 L436 V470 L497	Q386-V468 HydrophobicContact CB-CG1 3.98Å; Q386-V468 HydrophobicContact CG-CG1 4.43Å; Y387-V468 CarbonylContact O-C 3.23Å; Y387-V468 WeakPolarHBondContact O-CA 3.11Å; I388-V468 HydrophobicContact CB-CG2 4.14Å; I388-V468 HydrophobicContact CD1-CG2 4.4Å; I388-V468 HydrophobicContact CG1-CG2 4.17Å; L425-V468 WeakPolarHBondContact CA-O 3.13Å; F426-V468 PolarHBondContact N-O 3.46Å; F426-V468 PolarHBondContact O-N 3.14Å; V428-V468 HydrophobicContact CB-CG2 4.34Å; V428-V468 HydrophobicContact CG1-CB 3.99Å; V428-V468 HydrophobicContact CG1-CG2 3.68Å; V428-V468 HydrophobicContact CG2-CG2 3.83Å; L436-V468 HydrophobicContact CD1-CB 3.94Å; L436-V468 HydrophobicContact CD1-CG1 3.93Å; L436-V468 HydrophobicContact CD1-CG2 4.11Å; V468-V470 HydrophobicContact CG1-CG2 3.98Å; V468-L497 HydrophobicContact CG1-CD1 4.4Å; V468-L497 HydrophobicContact CG2-CD1 3.71Å
469	L	98.3	Very high	93.7	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.3	172.5	-170.1	158.7	0	0	0	108.8	Y387 F389 M400 F423 E424 L425 P471 L484 I486	Y387-L469 PolarHBondContact N-O 2.99Å; Y387-L469 PolarHBondContact O-N 2.84Å; F389-L469 HydrophobicContact CE1-CB 4.34Å; M400-L469 HydrophobicContact CB-CD1 3.9Å; M400-L469 HydrophobicContact CG-CD1 3.72Å; M400-L469 HydrophobicContact SD-CD1 3.77Å; F423-L469 HydrophobicContact CB-CD2 3.86Å; F423-L469 HydrophobicContact CB-CG 4.41Å; F423-L469 HydrophobicContact CD2-CD1 3.9Å; F423-L469 HydrophobicContact CD2-CD2 4.11Å; F423-L469 HydrophobicContact CD2-CG 3.85Å; F423-L469 HydrophobicContact CE2-CD1 4.03Å; F423-L469 HydrophobicContact CE2-CG 4.47Å; F423-L469 HydrophobicContact CG-CD2 4.08Å; F423-L469 HydrophobicContact CG-CG 4.34Å; E424-L469 CarbonylContact O-C 3.46Å; E424-L469 WeakPolarHBondContact O-CA 3.42Å; L425-L469 HydrophobicContact CD1-CB 4.1Å; L469-P471 HydrophobicContact CD2-CB 4.3Å; L469-P471 HydrophobicContact CD2-CG 4.39Å; L469-P471 WeakPolarHBondContact O-CD 3.16Å; L469-L484 HydrophobicContact CD1-CD1 3.98Å; L469-L484 HydrophobicContact CD2-CD1 3.73Å; L469-L484 HydrophobicContact CD2-CD2 3.95Å; L469-I486 HydrophobicContact CD1-CD1 4.31Å
470	V	98.4	Very high	93.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	98	179.8	-172	0	0	0	0	108.6	F381 L382 N384 Q386 F423 E424 F426 V468 T472	F381-V470 HydrophobicContact CE1-CG1 4.36Å; F381-V470 HydrophobicContact CE1-CG2 4.48Å; F381-V470 HydrophobicContact CE2-CB 4.3Å; F381-V470 HydrophobicContact CE2-CG1 3.93Å; F381-V470 HydrophobicContact CZ-CB 3.78Å; F381-V470 HydrophobicContact CZ-CG1 3.74Å; F381-V470 HydrophobicContact CZ-CG2 4.17Å; L382-V470 HydrophobicContact CD2-CG2 4.45Å; N384-V470 HydrophobicContact CB-CG1 3.71Å; Q386-V470 HydrophobicContact CG-CG2 4.28Å; F423-V470 VanDerWaalsContact CA-O 3.25Å; F423-V470 WeakPolarHBondContact CA-O 3.2Å; F423-V470 WeakPolarHBondContact CB-O 3.28Å; E424-V470 PolarHBondContact N-O 3.35Å; E424-V470 VanDerWaalsContact N-O 3.11Å; E424-V470 PolarHBondContact O-N 3.23Å; F426-V470 HydrophobicContact CD2-CG2 4.23Å; F426-V470 HydrophobicContact CE2-CG2 4.18Å; V468-V470 HydrophobicContact CG1-CG2 3.98Å; V470-T472 HydrophobicContact CG1-CG2 3.97Å
471	P	98.3	Very high	93.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	135.7	174.3	31.1	-34.2	0	0	0	111	W360 P385 Y387 L402 F423 L469 F482	W360-P471 HydrophobicContact CZ2-CB 4.29Å; W360-P471 PolarHBondContact NE1-O 3.33Å; P385-P471 HydrophobicContact CB-CG 4.4Å; P385-P471 WeakPolarHBondContact O-CD 3.24Å; Y387-P471 HydrophobicContact CD2-CG 3.96Å; Y387-P471 HydrophobicContact CE2-CG 3.75Å; L402-P471 HydrophobicContact CD1-CB 3.69Å; L402-P471 HydrophobicContact CD2-CB 3.82Å; L402-P471 HydrophobicContact CG-CB 4.39Å; F423-P471 HydrophobicContact CB-CB 4.48Å; L469-P471 HydrophobicContact CD2-CB 4.3Å; L469-P471 HydrophobicContact CD2-CG 4.39Å; L469-P471 WeakPolarHBondContact O-CD 3.16Å; P471-F482 HydrophobicContact CB-CE2 4.21Å; P471-F482 HydrophobicContact CB-CZ 4.32Å; P471-F482 HydrophobicContact CG-CE1 4.35Å; P471-F482 HydrophobicContact CG-CE2 3.7Å; P471-F482 HydrophobicContact CG-CZ 3.61Å
472	T	97.6	Very high	94.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	150.8	-173.6	69.8	0	0	0	0	111.8	G373 F381 N384 I421 G422 Y450 V470	G373-T472 WeakPolarHBondContact O-CG2 3.47Å; F381-T472 HydrophobicContact CD2-CG2 3.98Å; F381-T472 HydrophobicContact CE2-CG2 3.62Å; N384-T472 HydrophobicContact CB-CG2 4.13Å; N384-T472 WeakPolarHBondContact ND2-CG2 3.41Å; I421-T472 WeakPolarHBondContact CA-O 3.31Å; G422-T472 PolarHBondContact N-O 3.14Å; G422-T472 PolarHBondContact O-N 3.06Å; G422-T472 PolarHBondContact O-OG1 3.47Å; Y450-T472 VanDerWaalsContact CE1-OG1 3.27Å; Y450-T472 WeakPolarHBondContact CE1-OG1 3.37Å; Y450-T472 PolarHBondContact OH-OG1 3.04Å; V470-T472 HydrophobicContact CG1-CG2 3.97Å
473	M	96.2	Very high	94.4	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	155.9	153.2	-72.7	175.3	-68.2	0	0	109.2	W360 S371 G373 C374 Y419 I421 Q475 R478	W360-M473 HydrophobicContact CB-CE 3.46Å; W360-M473 VanDerWaalsContact CB-CE 3.46Å; W360-M473 HydrophobicContact CD2-CE 3.79Å; W360-M473 HydrophobicContact CD2-CG 3.97Å; W360-M473 HydrophobicContact CD2-SD 4.31Å; W360-M473 HydrophobicContact CE3-CE 3.87Å; W360-M473 HydrophobicContact CE3-CG 3.76Å; W360-M473 HydrophobicContact CE3-SD 3.87Å; W360-M473 HydrophobicContact CG-CE 3.64Å; W360-M473 HydrophobicContact CH2-CG 4.14Å; W360-M473 HydrophobicContact CZ2-CG 4.34Å; W360-M473 HydrophobicContact CZ3-CG 3.85Å; W360-M473 HydrophobicContact CZ3-SD 4.32Å; S371-M473 WeakPolarHBondContact OG-CE 3.28Å; G373-M473 CarbonylContact C-O 3.44Å; G373-M473 VanDerWaalsContact CA-O 3.25Å; G373-M473 WeakPolarHBondContact CA-O 3.48Å; C374-M473 PolarHBondContact N-O 3.46Å; Y419-M473 HydrophobicContact CD2-SD 3.82Å; Y419-M473 HydrophobicContact CE2-SD 4.37Å; Y419-M473 HydrophobicContact CG-SD 4.22Å; I421-M473 HydrophobicContact CG2-CG 4.1Å; M473-Q475 WeakPolarHBondContact CB-O 3.4Å; M473-R478 HydrophobicContact CE-CB 3.78Å; M473-R478 WeakPolarHBondContact CE-O 3.22Å; M473-R478 HydrophobicContact SD-CB 3.95Å
474	F	95.1	Very high	94.8	Very high	81 Å²	81	33.8 Å²	33.8	36%	0.355	17%	0.17	S	C	.	.	S	Bend	trans	-62.1	-47.2	176.1	-170	-94	0	0	0	111.6	C374 N377 I420 Y450	C374-F474 HydrophobicContact CB-CD2 4.22Å; C374-F474 PolarHBondContact N-O 3.14Å; C374-F474 PolarHBondContact SG-O 2.98Å; N377-F474 PolarHBondContact ND2-O 3.11Å; I420-F474 HydrophobicContact CB-CB 3.71Å; I420-F474 HydrophobicContact CB-CG 4.46Å; I420-F474 HydrophobicContact CG2-CB 3.67Å; I420-F474 HydrophobicContact CG2-CD2 4.23Å; I420-F474 HydrophobicContact CG2-CG 4.12Å; I420-F474 WeakPolarHBondContact O-CB 3.47Å; I420-F474 PolarHBondContact O-N 3.41Å; Y450-F474 HydrophobicContact CD1-CB 4.34Å; Y450-F474 AromaticContact CD1-CD2 3.93Å; Y450-F474 HydrophobicContact CD1-CD2 3.93Å; Y450-F474 HydrophobicContact CG-CD2 4.28Å
475	Q	92.8	Very high	95	Very high	108 Å²	108	30.1 Å²	30.1	51%	0.505	15%	0.154	S	C	.	.	S	Bend	trans	-91.1	143.3	174.4	-63.8	-178.2	-10.3	0	0	110.6	M473	M473-Q475 WeakPolarHBondContact CB-O 3.4Å
476	H	90.1	Very high	95.2	Very high	107 Å²	107	30 Å²	30	50%	0.495	15%	0.153	S	C	.	.	S	Bend	trans	-79.7	171.2	172	60.9	72.7	0	0	0	111.6	S371 R478	S371-H476 WeakPolarHBondContact O-CA 3.17Å; S371-H476 VanDerWaalsContact O-CB 3.3Å; S371-H476 WeakPolarHBondContact O-CB 3.44Å; H476-R478 PolarHBondContact O-N 3.38Å
477	G	90.3	Very high	95.1	Very high	41 Å²	41	30 Å²	30	42%	0.423	15%	0.152	S	C	.	.	S	Bend	trans	74.4	25.3	168.4	0	0	0	0	0	115.5	S371	S371-G477 PolarHBondContact O-N 3.13Å; S371-G477 PolarHBondContact OG-N 3.36Å
478	R	89.8	Confident	94.8	Very high	92 Å²	92	29.7 Å²	29.7	35%	0.347	15%	0.151	S	C	.	.			trans	-120.5	151.5	173.1	-62.3	-173.6	-175.8	-152.4	-0.3	111.6	S371 M473 H476	S371-R478 VanDerWaalsContact CB-O 3.25Å; S371-R478 WeakPolarHBondContact CB-O 3.5Å; S371-R478 PolarHBondContact OG-N 3.34Å; S371-R478 PolarHBondContact OG-O 2.96Å; M473-R478 HydrophobicContact CE-CB 3.78Å; M473-R478 WeakPolarHBondContact CE-O 3.22Å; M473-R478 HydrophobicContact SD-CB 3.95Å; H476-R478 PolarHBondContact O-N 3.38Å
479	T	92.7	Very high	94	Very high	86 Å²	86	33.3 Å²	33.3	53%	0.528	17%	0.168	S	C	.	.			trans	-104.7	127.7	174.9	-60.1	0	0	0	0	110.3	W360	W360-T479 WeakPolarHBondContact O-CA 3.37Å; W360-T479 WeakPolarHBondContact O-CG2 3.34Å
480	S	93.3	Very high	93.3	Very high	9 Å²	9	34.6 Å²	34.6	6%	0.063	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	146.9	173.1	-175.2	0	0	0	0	111.6	W360	W360-S480 PolarHBondContact N-O 3.49Å; W360-S480 PolarHBondContact O-N 2.81Å; W360-S480 VanDerWaalsContact O-N 3.1Å
481	E	95.6	Very high	92.6	Very high	69 Å²	69	37.8 Å²	37.8	32%	0.322	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	150.4	173.5	-67.1	167.3	91	0	0	110.9	F128 G358 K405	F128-E481 HydrophobicContact CE1-CB 4.19Å; F128-E481 HydrophobicContact CZ-CB 4.29Å; G358-E481 WeakPolarHBondContact O-CA 3.4Å; K405-E481 HydrophobicContact CB-CB 4.12Å; K405-E481 HydrophobicContact CD-CB 4.05Å; K405-E481 HydrophobicContact CD-CG 4.48Å; K405-E481 WeakPolarHBondContact CD-OE2 3.49Å; K405-E481 WeakPolarHBondContact CE-OE2 3.31Å; K405-E481 PolarHBondContact N-O 3.48Å; K405-E481 IonicContact NZ-OE1 3.5Å; K405-E481 IonicContact NZ-OE2 3.39Å; K405-E481 PolarHBondContact NZ-OE2 3.34Å
482	F	97.1	Very high	92.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	153.7	174.2	63	-96.2	0	0	0	111.6	G358 W360 P385 Y387 L402 Q403 P471 L484	G358-F482 PolarHBondContact N-O 3.35Å; G358-F482 PolarHBondContact O-N 3.27Å; W360-F482 AromaticContact CD2-CD1 3.56Å; W360-F482 HydrophobicContact CD2-CD1 3.56Å; W360-F482 AromaticContact CD2-CE1 3.9Å; W360-F482 HydrophobicContact CD2-CE1 3.9Å; W360-F482 AromaticContact CE2-CD1 3.55Å; W360-F482 AromaticContact CE2-CE1 3.77Å; W360-F482 HydrophobicContact CE3-CB 4.49Å; W360-F482 AromaticContact CE3-CD1 3.69Å; W360-F482 HydrophobicContact CE3-CD1 3.69Å; W360-F482 HydrophobicContact CE3-CE1 4.46Å; W360-F482 HydrophobicContact CG-CD1 4.22Å; W360-F482 HydrophobicContact CG-CE1 4.12Å; W360-F482 HydrophobicContact CH2-CB 3.76Å; W360-F482 AromaticContact CH2-CD1 3.86Å; W360-F482 HydrophobicContact CH2-CD1 3.86Å; W360-F482 HydrophobicContact CH2-CG 4.05Å; W360-F482 HydrophobicContact CZ2-CB 4.33Å; W360-F482 AromaticContact CZ2-CD1 3.72Å; W360-F482 HydrophobicContact CZ2-CD1 3.72Å; W360-F482 HydrophobicContact CZ2-CE1 4.25Å; W360-F482 HydrophobicContact CZ2-CG 4.12Å; W360-F482 HydrophobicContact CZ3-CB 3.85Å; W360-F482 AromaticContact CZ3-CD1 3.85Å; W360-F482 HydrophobicContact CZ3-CD1 3.85Å; W360-F482 HydrophobicContact CZ3-CG 4.26Å; W360-F482 AromaticContact NE1-CE1 3.85Å; P385-F482 HydrophobicContact CB-CZ 4.01Å; P385-F482 HydrophobicContact CG-CE1 3.99Å; P385-F482 HydrophobicContact CG-CZ 3.91Å; Y387-F482 AromaticContact CE2-CE2 3.8Å; Y387-F482 HydrophobicContact CE2-CE2 3.8Å; Y387-F482 AromaticContact CE2-CZ 3.84Å; Y387-F482 HydrophobicContact CE2-CZ 3.84Å; L402-F482 HydrophobicContact CD1-CB 3.81Å; L402-F482 HydrophobicContact CD1-CD2 3.53Å; L402-F482 HydrophobicContact CD1-CE2 4.33Å; L402-F482 HydrophobicContact CD1-CG 3.83Å; Q403-F482 CarbonylContact O-C 3.59Å; Q403-F482 WeakPolarHBondContact O-CA 3.48Å; Q403-F482 WeakPolarHBondContact O-CB 3.43Å; P471-F482 HydrophobicContact CB-CE2 4.21Å; P471-F482 HydrophobicContact CB-CZ 4.32Å; P471-F482 HydrophobicContact CG-CE1 4.35Å; P471-F482 HydrophobicContact CG-CE2 3.7Å; P471-F482 HydrophobicContact CG-CZ 3.61Å; F482-L484 HydrophobicContact CD2-CB 4.41Å; F482-L484 HydrophobicContact CE2-CB 4.38Å
483	L	97.2	Very high	91.6	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.037	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117.7	170.9	175.7	66	0	0	0	108.7	W126 F128 Q403 R485	W126-L483 HydrophobicContact CH2-CD2 3.51Å; W126-L483 HydrophobicContact CZ2-CD2 3.78Å; F128-L483 HydrophobicContact CD2-CB 4.12Å; F128-L483 HydrophobicContact CE2-CB 3.78Å; F128-L483 HydrophobicContact CZ-CB 4.16Å; Q403-L483 HydrophobicContact CB-CB 4.35Å; Q403-L483 PolarHBondContact N-O 2.84Å; Q403-L483 PolarHBondContact O-N 3.44Å; L483-R485 HydrophobicContact CD1-CG 4.39Å; L483-R485 HydrophobicContact CD2-CG 4.2Å; L483-R485 HydrophobicContact CG-CG 3.93Å
484	L	97.5	Very high	91.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.7	173	-180	65.6	0	0	0	109.2	S355 V356 Y387 S401 L469 F482 L494	S355-L484 CarbonylContact C-O 3.56Å; S355-L484 VanDerWaalsContact CA-O 3.25Å; S355-L484 WeakPolarHBondContact CA-O 3.42Å; V356-L484 PolarHBondContact N-O 3.09Å; V356-L484 PolarHBondContact O-N 3.24Å; Y387-L484 HydrophobicContact CD1-CD2 4.26Å; Y387-L484 HydrophobicContact CD2-CD2 3.58Å; Y387-L484 HydrophobicContact CE2-CD2 4.15Å; Y387-L484 HydrophobicContact CG-CD2 3.62Å; S401-L484 WeakPolarHBondContact O-CA 3.41Å; L469-L484 HydrophobicContact CD1-CD1 3.98Å; L469-L484 HydrophobicContact CD2-CD1 3.73Å; L469-L484 HydrophobicContact CD2-CD2 3.95Å; F482-L484 HydrophobicContact CD2-CB 4.41Å; F482-L484 HydrophobicContact CE2-CB 4.38Å; L484-L494 HydrophobicContact CD2-CD2 4.46Å
485	R	95.3	Very high	91.5	Very high	10 Å²	10	48 Å²	48	4%	0.038	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	131.9	178.1	-56.7	178.7	76.4	-169.2	2	109.7	G191 T192 L193 L353 E354 M400 S401 L483	G191-R485 PolarHBondContact O-NH2 2.93Å; G191-R485 VanDerWaalsContact O-NH2 3.16Å; T192-R485 PolarHBondContact O-NH1 3.2Å; L193-R485 HydrophobicContact CD1-CB 4.3Å; L353-R485 HydrophobicContact CD1-CB 4.15Å; L353-R485 VanDerWaalsContact CD2-NH2 3.28Å; E354-R485 CarbonylContact O-C 3.44Å; E354-R485 WeakPolarHBondContact O-CA 3.36Å; M400-R485 CarbonylContact C-O 3.49Å; M400-R485 WeakPolarHBondContact CA-O 3.41Å; S401-R485 PolarHBondContact N-O 3.33Å; S401-R485 PolarHBondContact O-N 3.43Å; L483-R485 HydrophobicContact CD1-CG 4.39Å; L483-R485 HydrophobicContact CD2-CG 4.2Å; L483-R485 HydrophobicContact CG-CG 3.93Å
486	I	94.9	Very high	91.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.6	176.1	-54.9	-172.8	0	0	0	108.8	L353 E354 F389 V398 I399 M400 L469 V492 L494	L353-I486 WeakPolarHBondContact CA-O 3.21Å; E354-I486 PolarHBondContact N-O 3.42Å; E354-I486 PolarHBondContact O-N 2.74Å; F389-I486 HydrophobicContact CD1-CD1 3.56Å; F389-I486 HydrophobicContact CE1-CD1 3.83Å; F389-I486 HydrophobicContact CG-CD1 4.05Å; V398-I486 HydrophobicContact CG1-CG2 3.64Å; I399-I486 CarbonylContact O-C 3.59Å; I399-I486 WeakPolarHBondContact O-CA 3.49Å; M400-I486 HydrophobicContact CG-CD1 4.35Å; M400-I486 HydrophobicContact CG-CG1 4.13Å; M400-I486 HydrophobicContact CG-CG2 4.24Å; L469-I486 HydrophobicContact CD1-CD1 4.31Å; I486-V492 HydrophobicContact CG2-CG2 4.04Å; I486-L494 HydrophobicContact CD1-CD1 3.63Å; I486-L494 HydrophobicContact CD1-CD2 4.09Å; I486-L494 HydrophobicContact CD1-CG 4.41Å; I486-L494 HydrophobicContact CG1-CD2 4.16Å
487	F	92.6	Very high	92	Very high	10 Å²	10	41.4 Å²	41.4	4%	0.044	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136.5	174.9	171.9	-90.3	0	0	0	111.2	L193 V343 E352 L353 V398 I399 E489	L193-F487 HydrophobicContact CD2-CB 3.23Å; L193-F487 HydrophobicContact CD2-CG 3.91Å; V343-F487 HydrophobicContact CG1-CD2 3.78Å; V343-F487 HydrophobicContact CG1-CE2 4.14Å; E352-F487 HydrophobicContact CB-CD2 3.99Å; E352-F487 HydrophobicContact CB-CE2 3.61Å; E352-F487 HydrophobicContact CB-CZ 4.45Å; E352-F487 HydrophobicContact CG-CE2 4.5Å; E352-F487 CarbonylContact O-C 3.6Å; E352-F487 VanDerWaalsContact O-CA 3.25Å; E352-F487 WeakPolarHBondContact O-CA 3.42Å; E352-F487 VanDerWaalsContact O-CD2 3.29Å; E352-F487 WeakPolarHBondContact O-CD2 3.35Å; E352-F487 WeakPolarHBondContact OE2-CE2 3.3Å; L353-F487 HydrophobicContact CD1-CB 4.01Å; V398-F487 WeakPolarHBondContact CA-O 3.48Å; I399-F487 HydrophobicContact CB-CB 4.32Å; I399-F487 HydrophobicContact CB-CD1 4.37Å; I399-F487 HydrophobicContact CD1-CD1 3.93Å; I399-F487 HydrophobicContact CD1-CE1 4.41Å; I399-F487 HydrophobicContact CG1-CD1 4.25Å; I399-F487 PolarHBondContact N-O 3.23Å; I399-F487 PolarHBondContact O-N 3.21Å; F487-E489 HydrophobicContact CE1-CG 4.47Å
488	S	90.1	Very high	92.2	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	145.4	170	-172.3	0	0	0	0	109.8	E352 V490	E352-S488 WeakPolarHBondContact CA-O 3.29Å; E352-S488 WeakPolarHBondContact CB-O 3.25Å; E352-S488 PolarHBondContact O-N 3.28Å; E352-S488 VanDerWaalsContact O-O 3.13Å; S488-V490 VanDerWaalsContact CB-O 3.26Å; S488-V490 WeakPolarHBondContact CB-O 3.46Å; S488-V490 PolarHBondContact O-N 2.77Å; S488-V490 PolarHBondContact OG-N 2.94Å; S488-V490 PolarHBondContact OG-O 3.35Å
489	E	81.6	Confident	92.4	Very high	75 Å²	75	41.6 Å²	41.6	35%	0.35	21%	0.212	S	C	.	.	S	Bend	trans	-66.5	-20.3	175.3	-55.4	-166	166.5	0	0	112.4	K220 F487	K220-E489 WeakPolarHBondContact CE-OE1 3.41Å; K220-E489 IonicContact NZ-OE1 3.26Å; K220-E489 PolarHBondContact NZ-OE1 2.73Å; K220-E489 IonicContact NZ-OE2 2.82Å; K220-E489 PolarHBondContact NZ-OE2 3.48Å; F487-E489 HydrophobicContact CE1-CG 4.47Å
490	V	83.8	Confident	92.4	Very high	27 Å²	27	38.9 Å²	38.9	16%	0.164	20%	0.195	C	C	.	.	S	Bend	trans	-106.4	135.6	172.3	-166.8	0	0	0	0	108.6	P392 H396 S488 V492	P392-V490 HydrophobicContact CG-CB 4.08Å; P392-V490 HydrophobicContact CG-CG1 3.35Å; H396-V490 WeakPolarHBondContact CE1-CG2 3.18Å; H396-V490 WeakPolarHBondContact ND1-CG2 3.34Å; S488-V490 VanDerWaalsContact CB-O 3.26Å; S488-V490 WeakPolarHBondContact CB-O 3.46Å; S488-V490 PolarHBondContact O-N 2.77Å; S488-V490 PolarHBondContact OG-N 2.94Å; S488-V490 PolarHBondContact OG-O 3.35Å; V490-V492 PolarHBondContact O-N 2.92Å
491	P	83.8	Confident	92.3	Very high	67 Å²	67	41.6 Å²	41.6	44%	0.435	21%	0.207	S	C	.	.			trans	-53.4	125.1	-179.9	-27.7	35.2	0	0	0	112.2
492	V	86.9	Confident	92	Very high	7 Å²	7	39.2 Å²	39.2	4%	0.042	20%	0.198	C	C	.	.			trans	-108.3	143.7	172.2	-66.3	0	0	0	0	109	E354 F389 I486 V490	E354-V492 HydrophobicContact CG-CG2 4.22Å; E354-V492 VanDerWaalsContact CG-O 3.28Å; E354-V492 WeakPolarHBondContact CG-O 3.34Å; F389-V492 HydrophobicContact CD2-CG1 4.47Å; I486-V492 HydrophobicContact CG2-CG2 4.04Å; V490-V492 PolarHBondContact O-N 2.92Å
493	Q	87.4	Confident	91.5	Very high	160 Å²	160	46.3 Å²	46.3	75%	0.748	23%	0.228	S	C	*	.			trans	-101.7	109.3	174.6	-68.6	-178.4	-0.6	0	0	109	F389	F389-Q493 VanDerWaalsContact CA-O 3.23Å; F389-Q493 WeakPolarHBondContact CA-O 3.36Å; F389-Q493 WeakPolarHBondContact CB-O 3.49Å
494	L	93.1	Very high	90.6	Very high	23 Å²	23	53.4 Å²	53.4	12%	0.12	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.8	177.6	-176.4	57.9	0	0	0	110.5	E354 V356 F389 L484 I486	E354-L494 HydrophobicContact CB-CB 3.71Å; E354-L494 HydrophobicContact CB-CD2 4Å; E354-L494 HydrophobicContact CG-CB 4Å; V356-L494 HydrophobicContact CB-CD2 4.46Å; V356-L494 HydrophobicContact CG2-CD2 3.74Å; V356-L494 HydrophobicContact CG2-CG 4.12Å; F389-L494 HydrophobicContact CB-CD1 4.26Å; L484-L494 HydrophobicContact CD2-CD2 4.46Å; I486-L494 HydrophobicContact CD1-CD1 3.63Å; I486-L494 HydrophobicContact CD1-CD2 4.09Å; I486-L494 HydrophobicContact CD1-CG 4.41Å; I486-L494 HydrophobicContact CG1-CD2 4.16Å
495	R	95	Very high	89.5	Confident	110 Å²	110	56.1 Å²	56.1	42%	0.415	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	140	-178.8	156.8	172.4	75.3	97.3	-5.4	110.2	Y387 I388 R432 K433	Y387-R495 CarbonylContact C-O 3.33Å; Y387-R495 WeakPolarHBondContact CA-O 3.48Å; I388-R495 HydrophobicContact CG2-CB 3.98Å; I388-R495 HydrophobicContact CG2-CG 3.98Å; I388-R495 VanDerWaalsContact CG2-CZ 3.47Å; I388-R495 PolarHBondContact N-O 3.46Å; I388-R495 PolarHBondContact O-N 2.82Å; R432-R495 PolarHBondContact O-NH2 2.85Å; K433-R495 PolarHBondContact O-NH1 3.27Å; K433-R495 VanDerWaalsContact O-NH1 3.1Å
496	E	97	Very high	88.3	Confident	74 Å²	74	60.8 Å²	60.8	35%	0.346	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	139.2	167.9	-165.6	179.6	177.3	0	0	111.4	Y387 T498	Y387-E496 HydrophobicContact CD1-CB 3.89Å; Y387-E496 HydrophobicContact CD1-CG 4.13Å; Y387-E496 HydrophobicContact CE1-CB 3.73Å; Y387-E496 HydrophobicContact CE1-CG 3.76Å; E496-T498 HydrophobicContact CB-CG2 4.11Å; E496-T498 HydrophobicContact CG-CG2 3.8Å
497	L	96.8	Very high	86.8	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.005	35%	0.348	C	S	.	.			trans	-89.4	100.8	167.2	-61.4	177.4	0	0	0	108.3	Q386 I388 K433 R435 V468	Q386-L497 HydrophobicContact CB-CB 4.1Å; Q386-L497 HydrophobicContact CB-CD1 4.28Å; Q386-L497 PolarHBondContact O-N 2.94Å; I388-L497 HydrophobicContact CB-CD1 4.21Å; I388-L497 HydrophobicContact CB-CD2 4.2Å; I388-L497 HydrophobicContact CB-CG 4.12Å; I388-L497 HydrophobicContact CG2-CD2 3.7Å; I388-L497 HydrophobicContact CG2-CG 4.01Å; K433-L497 WeakPolarHBondContact O-CD2 3.3Å; R435-L497 VanDerWaalsContact CD-O 3.27Å; R435-L497 WeakPolarHBondContact CD-O 3.28Å; R435-L497 HydrophobicContact CG-CB 3.81Å; R435-L497 WeakPolarHBondContact CG-O 3.47Å; R435-L497 PolarHBondContact NH1-O 2.76Å; V468-L497 HydrophobicContact CG1-CD1 4.4Å; V468-L497 HydrophobicContact CG2-CD1 3.71Å
498	T	94.6	Very high	85.6	Confident	79 Å²	79	70.5 Å²	70.5	49%	0.485	35%	0.354	S	S	.	.			trans	-104.6	-14.2	-177.2	55.5	0	0	0	0	113.9	E496	E496-T498 HydrophobicContact CB-CG2 4.11Å; E496-T498 HydrophobicContact CG-CG2 3.8Å
499	L	94.6	Very high	84.3	Confident	58 Å²	58	78.1 Å²	78.1	30%	0.304	39%	0.394	S	S	.	.			trans	-105.5	129.7	-177.7	-58.2	-174.9	0	0	0	110.2	F434 R435 K503	F434-L499 CarbonylContact C-O 3.53Å; F434-L499 WeakPolarHBondContact CA-O 3.27Å; F434-L499 VanDerWaalsContact CB-O 3.28Å; F434-L499 WeakPolarHBondContact CB-O 3.27Å; F434-L499 HydrophobicContact CD1-CB 3.72Å; F434-L499 HydrophobicContact CE1-CB 4.23Å; F434-L499 HydrophobicContact CE1-CD1 4.3Å; R435-L499 PolarHBondContact N-O 3.14Å; L499-K503 HydrophobicContact CD1-CG 4.43Å; L499-K503 HydrophobicContact CD2-CD 4.42Å
500	D	92.1	Very high	83.5	Confident	30 Å²	30	78.7 Å²	78.7	16%	0.16	41%	0.411	C	S	.	.	S	Bend	trans	-77.1	-33.3	177.1	-50.9	-73.8	0	0	0	111.6	R435 H437 T639	R435-D500 VanDerWaalsContact CD-OD1 3.27Å; R435-D500 WeakPolarHBondContact CD-OD1 3.32Å; R435-D500 IonicContact NE-OD1 2.79Å; R435-D500 PolarHBondContact NE-OD1 2.9Å; H437-D500 IonicContact CE1-OD1 2.63Å; H437-D500 PolarHBondContact CE1-OD1 2.91Å; H437-D500 WeakPolarHBondContact NE2-CB 3.26Å; H437-D500 IonicContact NE2-OD1 3.18Å; D500-T639 HydrophobicContact CB-CG2 4.3Å
501	M	90.8	Very high	82.7	Confident	65 Å²	65	84.6 Å²	84.6	32%	0.32	43%	0.431	S	S	.	.	S	Bend	trans	-154.2	170.3	-178.8	71.7	-174.8	88.3	0	0	112.1	F434 K503 L638 T639	F434-M501 VanDerWaalsContact CD1-C 3.46Å; F434-M501 VanDerWaalsContact CE1-C 3.41Å; F434-M501 WeakPolarHBondContact CE1-O 3.21Å; M501-K503 PolarHBondContact O-N 2.85Å; M501-L638 HydrophobicContact CB-CB 4.23Å; M501-L638 HydrophobicContact SD-CB 4.28Å; M501-L638 HydrophobicContact SD-CD1 4.45Å; M501-T639 HydrophobicContact CB-CG2 4.47Å; M501-T639 HydrophobicContact CE-CG2 3.23Å; M501-T639 HydrophobicContact SD-CG2 4.43Å
502	P	90.2	Very high	82.3	Confident	20 Å²	20	82.9 Å²	82.9	13%	0.13	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-55.1	128.8	174.2	-24.4	32.1	0	0	0	112	F434 Y513 P514 Y570	F434-P502 HydrophobicContact CE1-CB 4.47Å; F434-P502 HydrophobicContact CE1-CG 4.29Å; F434-P502 HydrophobicContact CE2-CG 3.7Å; F434-P502 HydrophobicContact CZ-CB 3.95Å; F434-P502 HydrophobicContact CZ-CG 3.56Å; P502-Y513 HydrophobicContact CB-CE2 4.48Å; P502-Y513 VanDerWaalsContact O-CE2 3.26Å; P502-Y513 WeakPolarHBondContact O-CE2 3.42Å; P502-Y513 PolarHBondContact O-OH 3.45Å; P502-P514 HydrophobicContact CB-CG 4.44Å; P502-P514 HydrophobicContact CG-CG 4.31Å; P502-Y570 VanDerWaalsContact CD-CE1 3.41Å; P502-Y570 HydrophobicContact CG-CD1 3.46Å; P502-Y570 VanDerWaalsContact CG-CD1 3.46Å; P502-Y570 HydrophobicContact CG-CD2 4.21Å; P502-Y570 HydrophobicContact CG-CE1 4.01Å; P502-Y570 HydrophobicContact CG-CG 3.56Å
503	K	85.6	Confident	82.3	Confident	149 Å²	149	85.6 Å²	85.6	65%	0.648	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-67.9	143.2	177.1	-68.2	-167.1	-178.8	-173.4	0	111.6	L499 M501 S505 N508	L499-K503 HydrophobicContact CD1-CG 4.43Å; L499-K503 HydrophobicContact CD2-CD 4.42Å; M501-K503 PolarHBondContact O-N 2.85Å; K503-S505 PolarHBondContact O-N 2.86Å; K503-N508 PolarHBondContact O-ND2 2.87Å
504	M	79.4	Confident	82.3	Confident	156 Å²	156	78.8 Å²	78.8	77%	0.768	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-64.8	128.7	163.7	-82.8	-174.2	61.7	0	0	110.1	N508 Y513	M504-N508 VanDerWaalsContact CA-ND2 3.33Å; M504-N508 WeakPolarHBondContact CA-ND2 3.07Å; M504-Y513 HydrophobicContact CG-CD2 3.74Å; M504-Y513 HydrophobicContact CG-CE2 3.66Å; M504-Y513 HydrophobicContact CG-CG 4.24Å
505	S	73.9	Confident	82.2	Confident	56 Å²	56	84.8 Å²	84.8	39%	0.392	43%	0.43	S	S	.	.			trans	-133.6	161.4	177.2	80.3	0	0	0	0	110.5	K503 W507 N508	K503-S505 PolarHBondContact O-N 2.86Å; S505-W507 PolarHBondContact O-N 3.32Å; S505-W507 VanDerWaalsContact O-N 3.11Å; S505-W507 PolarHBondContact OG-N 2.92Å; S505-N508 PolarHBondContact N-ND2 2.94Å; S505-N508 WeakPolarHBondContact O-CB 3.49Å; S505-N508 PolarHBondContact O-N 3.25Å; S505-N508 PolarHBondContact OG-OD1 3.34Å; S505-N508 VanDerWaalsContact OG-OD1 3.07Å
506	C	70.1	Confident	82	Confident	108 Å²	108	80 Å²	80	73%	0.73	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.5	179.7	-38.7	0	0	0	0	112.5	N508 L509	C506-N508 PolarHBondContact O-N 2.94Å; C506-L509 WeakPolarHBondContact O-CB 3.42Å; C506-L509 PolarHBondContact O-N 2.73Å
507	W	63.4	Low	81.9	Confident	181 Å²	181	76.4 Å²	76.4	69%	0.686	40%	0.396	S	S	*	.	H	α-helix	trans	-67	-19.7	175	-66.3	96.7	0	0	0	113.5	S505 L509 A510 R511	S505-W507 PolarHBondContact O-N 3.32Å; S505-W507 VanDerWaalsContact O-N 3.11Å; S505-W507 PolarHBondContact OG-N 2.92Å; W507-L509 VanDerWaalsContact C-N 3.26Å; W507-L509 PolarHBondContact O-N 2.65Å; W507-A510 PolarHBondContact O-N 3.41Å; W507-R511 PolarHBondContact O-N 3.48Å
508	N	68.1	Low	81.7	Confident	34 Å²	34	76.4 Å²	76.4	18%	0.182	40%	0.395	C	S	.	.	H	α-helix	trans	-74.3	-20.4	177.6	-55.7	-2.6	0	0	0	111.4	K503 M504 S505 C506 A510 G512 Y513	K503-N508 PolarHBondContact O-ND2 2.87Å; M504-N508 VanDerWaalsContact CA-ND2 3.33Å; M504-N508 WeakPolarHBondContact CA-ND2 3.07Å; S505-N508 PolarHBondContact N-ND2 2.94Å; S505-N508 WeakPolarHBondContact O-CB 3.49Å; S505-N508 PolarHBondContact O-N 3.25Å; S505-N508 PolarHBondContact OG-OD1 3.34Å; S505-N508 VanDerWaalsContact OG-OD1 3.07Å; C506-N508 PolarHBondContact O-N 2.94Å; N508-A510 VanDerWaalsContact C-N 3.33Å; N508-G512 CarbonylContact O-C 3.5Å; N508-G512 WeakPolarHBondContact O-CA 3.47Å; N508-G512 PolarHBondContact O-N 3.26Å; N508-Y513 VanDerWaalsContact ND2-CD2 3.34Å; N508-Y513 WeakPolarHBondContact ND2-CD2 3.39Å
509	L	62.8	Low	81.7	Confident	161 Å²	161	72.6 Å²	72.6	84%	0.843	37%	0.372	S	S	*	.	H	α-helix	trans	-67.1	-36.3	171.6	-68.8	160.8	0	0	0	111.4	C506 W507	C506-L509 WeakPolarHBondContact O-CB 3.42Å; C506-L509 PolarHBondContact O-N 2.73Å; W507-L509 VanDerWaalsContact C-N 3.26Å; W507-L509 PolarHBondContact O-N 2.65Å
510	A	63.5	Low	81.7	Confident	86 Å²	86	69.9 Å²	69.9	71%	0.711	36%	0.358	S	S	*	.	H	α-helix	trans	-87.9	-27.3	179.9	0	0	0	0	0	113.6	W507 N508	W507-A510 PolarHBondContact O-N 3.41Å; N508-A510 VanDerWaalsContact C-N 3.33Å
511	R	67.7	Low	81.7	Confident	152 Å²	152	68.6 Å²	68.6	57%	0.574	35%	0.351	S	S	*	.	H	α-helix	trans	-114.4	-15.1	-173.3	-62.8	-175.8	173.2	173	1.7	114.3	W507 R572	W507-R511 PolarHBondContact O-N 3.48Å; R511-R572 WeakPolarHBondContact O-CD 3.43Å; R511-R572 PolarHBondContact O-NE 3.19Å; R511-R572 PolarHBondContact O-NH1 3.04Å
512	G	75.8	Confident	82	Confident	30 Å²	30	65.5 Å²	65.5	31%	0.309	34%	0.336	S	S	.	.			trans	88.5	148.2	-174.7	0	0	0	0	0	113.6	N508 R572	N508-G512 CarbonylContact O-C 3.5Å; N508-G512 WeakPolarHBondContact O-CA 3.47Å; N508-G512 PolarHBondContact O-N 3.26Å; G512-R572 PolarHBondContact O-NE 3.41Å
513	Y	85.6	Confident	82.2	Confident	64 Å²	64	67.3 Å²	67.3	25%	0.251	34%	0.343	S	S	.	.			trans	-90.2	145.6	176.6	-171.5	-114.2	0	0	0	111.1	P502 M504 N508 L638	P502-Y513 HydrophobicContact CB-CE2 4.48Å; P502-Y513 VanDerWaalsContact O-CE2 3.26Å; P502-Y513 WeakPolarHBondContact O-CE2 3.42Å; P502-Y513 PolarHBondContact O-OH 3.45Å; M504-Y513 HydrophobicContact CG-CD2 3.74Å; M504-Y513 HydrophobicContact CG-CE2 3.66Å; M504-Y513 HydrophobicContact CG-CG 4.24Å; N508-Y513 VanDerWaalsContact ND2-CD2 3.34Å; N508-Y513 WeakPolarHBondContact ND2-CD2 3.39Å; Y513-L638 HydrophobicContact CE1-CD1 3.63Å
514	P	88.9	Confident	82.7	Confident	18 Å²	18	60.7 Å²	60.7	12%	0.117	32%	0.315	C	S	.	.			trans	-55.2	144.1	170.6	-25.8	37	0	0	0	112	P502 R571 L638	P502-P514 HydrophobicContact CB-CG 4.44Å; P502-P514 HydrophobicContact CG-CG 4.31Å; P514-R571 CarbonylContact C-O 3.44Å; P514-R571 VanDerWaalsContact CA-O 3.27Å; P514-R571 WeakPolarHBondContact CA-O 3.48Å; P514-L638 HydrophobicContact CB-CD1 4.19Å; P514-L638 HydrophobicContact CB-CD2 4.3Å
515	K	90.1	Very high	83.5	Confident	149 Å²	149	53.3 Å²	53.3	65%	0.648	28%	0.279	S	S	*	.			trans	-126.6	-17.7	176.4	-64.1	-173.9	178.4	-175.8	0	112.6	R571	K515-R571 PolarHBondContact N-O 2.93Å
516	V	91.8	Very high	84.5	Confident	8 Å²	8	53.7 Å²	53.7	5%	0.048	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.4	-178.3	-175.3	0	0	0	0	108.3	R571 T574 P602 S635	V516-R571 PolarHBondContact N-O 2.95Å; V516-R571 PolarHBondContact O-N 2.99Å; V516-T574 HydrophobicContact CG2-CG2 4.3Å; V516-P602 HydrophobicContact CG1-CG 4.17Å; V516-S635 CarbonylContact C-O 3.49Å; V516-S635 VanDerWaalsContact CA-O 3.27Å; V516-S635 WeakPolarHBondContact CA-O 3.18Å; V516-S635 WeakPolarHBondContact CG1-O 3.44Å
517	V	93.3	Very high	85.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	135.1	166.5	60.5	0	0	0	0	108.4	I568 F569 Y570 S634 S635 D637 L638 L641	V517-I568 HydrophobicContact CG2-CD1 3.77Å; V517-I568 HydrophobicContact CG2-CG1 3.77Å; V517-F569 WeakPolarHBondContact CA-O 3.28Å; V517-Y570 HydrophobicContact CB-CD1 4.22Å; V517-Y570 HydrophobicContact CB-CE1 4.15Å; V517-Y570 HydrophobicContact CG2-CD1 4.17Å; V517-Y570 HydrophobicContact CG2-CE1 3.88Å; V517-Y570 HydrophobicContact CG2-CE2 4.2Å; V517-Y570 HydrophobicContact CG2-CG 4.49Å; V517-S634 CarbonylContact O-C 3.52Å; V517-S634 VanDerWaalsContact O-CA 3.26Å; V517-S634 WeakPolarHBondContact O-CA 3.31Å; V517-S635 PolarHBondContact N-O 3.37Å; V517-S635 PolarHBondContact O-N 2.74Å; V517-D637 VanDerWaalsContact CG1-O 3.24Å; V517-D637 WeakPolarHBondContact CG1-O 3.31Å; V517-L638 HydrophobicContact CB-CD2 4.27Å; V517-L641 HydrophobicContact CG1-CB 4.03Å; V517-L641 HydrophobicContact CG1-CD1 3.89Å; V517-L641 HydrophobicContact CG1-CG 3.88Å; V517-L641 HydrophobicContact CG2-CB 4.05Å; V517-L641 HydrophobicContact CG2-CD1 4.35Å
518	T	94	Very high	87	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.2	178.6	-57.3	0	0	0	0	110.5	I568 F569 R571 I578 A600 V632 I633 S634	T518-I568 CarbonylContact O-C 3.55Å; T518-I568 WeakPolarHBondContact O-CA 3.48Å; T518-F569 PolarHBondContact N-O 3.46Å; T518-F569 PolarHBondContact O-N 3.21Å; T518-R571 PolarHBondContact OG1-NE 3.18Å; T518-R571 PolarHBondContact OG1-NH2 2.87Å; T518-R571 VanDerWaalsContact OG1-NH2 3.11Å; T518-I578 HydrophobicContact CG2-CD1 3.23Å; T518-A600 HydrophobicContact CG2-CB 3.78Å; T518-V632 HydrophobicContact CG2-CG1 3.85Å; T518-I633 CarbonylContact C-O 3.56Å; T518-I633 WeakPolarHBondContact CA-O 3.36Å; T518-S634 WeakPolarHBondContact CB-OG 3.38Å; T518-S634 WeakPolarHBondContact CG2-OG 3.43Å; T518-S634 PolarHBondContact OG1-OG 3.3Å
519	Q	93.8	Very high	88	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	134.8	174.1	-163.3	-172.5	20.4	0	0	109.3	E429 I441 A567 V632 I633 L641	E429-Q519 HydrophobicContact CG-CG 4.31Å; E429-Q519 VanDerWaalsContact OE1-CD 3.26Å; E429-Q519 WeakPolarHBondContact OE1-CG 3.22Å; E429-Q519 PolarHBondContact OE1-NE2 3.48Å; I441-Q519 HydrophobicContact CD1-CB 4.46Å; I441-Q519 HydrophobicContact CD1-CG 3.59Å; I441-Q519 HydrophobicContact CG1-CG 4.4Å; Q519-A567 WeakPolarHBondContact CA-O 3.29Å; Q519-V632 WeakPolarHBondContact O-CA 3.49Å; Q519-I633 PolarHBondContact N-O 3.01Å; Q519-I633 PolarHBondContact O-N 2.94Å; Q519-L641 HydrophobicContact CB-CB 4.49Å; Q519-L641 HydrophobicContact CB-CD1 3.93Å
520	I	94	Very high	89.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.2	177.5	-178.5	167.9	0	0	0	110.3	V522 I543 Q566 A567 F569 I578 V580 L598 K631 V632	I520-V522 HydrophobicContact CD1-CG2 4.13Å; I520-V522 HydrophobicContact CG1-CG2 4.1Å; I520-I543 HydrophobicContact CG2-CD1 4.41Å; I520-I543 HydrophobicContact CG2-CG2 3.85Å; I520-Q566 CarbonylContact O-C 3.46Å; I520-Q566 VanDerWaalsContact O-CA 3.3Å; I520-Q566 WeakPolarHBondContact O-CA 3.42Å; I520-A567 HydrophobicContact CG2-CB 3.94Å; I520-A567 PolarHBondContact N-O 2.95Å; I520-A567 PolarHBondContact O-N 2.98Å; I520-F569 HydrophobicContact CG2-CE2 4.07Å; I520-I578 HydrophobicContact CD1-CG2 3.96Å; I520-V580 HydrophobicContact CD1-CG2 3.57Å; I520-L598 HydrophobicContact CD1-CD1 3.77Å; I520-K631 WeakPolarHBondContact CA-O 3.5Å; I520-V632 HydrophobicContact CB-CG2 3.91Å; I520-V632 HydrophobicContact CD1-CG2 3.65Å; I520-V632 HydrophobicContact CG1-CG2 3.57Å
521	T	93.9	Very high	89.8	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118.2	168.4	-64	0	0	0	0	108.7	I441 H523 T565 Q566 F630 K631	I441-T521 WeakPolarHBondContact CD1-OG1 3.21Å; T521-H523 VanDerWaalsContact CG2-CE1 3.49Å; T521-H523 WeakPolarHBondContact CG2-CE1 3.17Å; T521-T565 WeakPolarHBondContact CA-O 3.18Å; T521-Q566 HydrophobicContact CG2-CG 4.04Å; T521-Q566 WeakPolarHBondContact OG1-CG 3.29Å; T521-Q566 PolarHBondContact OG1-NE2 2.78Å; T521-F630 CarbonylContact O-C 3.47Å; T521-F630 WeakPolarHBondContact O-CA 3.42Å; T521-F630 WeakPolarHBondContact O-CB 3.5Å; T521-K631 PolarHBondContact N-O 3.28Å; T521-K631 PolarHBondContact O-N 3.46Å
522	V	95.3	Very high	90.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	112.9	172.1	-173.3	0	0	0	0	108.1	I520 L541 I543 D564 T565 V580 I628 F630	I520-V522 HydrophobicContact CD1-CG2 4.13Å; I520-V522 HydrophobicContact CG1-CG2 4.1Å; V522-L541 HydrophobicContact CB-CD1 3.57Å; V522-L541 HydrophobicContact CG1-CD1 3.42Å; V522-L541 VanDerWaalsContact CG1-CD1 3.42Å; V522-L541 HydrophobicContact CG1-CD2 4.35Å; V522-L541 HydrophobicContact CG2-CD1 4.22Å; V522-I543 HydrophobicContact CG2-CD1 3.8Å; V522-I543 HydrophobicContact CG2-CG1 4.33Å; V522-D564 WeakPolarHBondContact O-CA 3.42Å; V522-D564 PolarHBondContact O-N 3.26Å; V522-D564 VanDerWaalsContact O-N 3.13Å; V522-T565 PolarHBondContact N-O 2.97Å; V522-T565 PolarHBondContact O-N 3.42Å; V522-V580 HydrophobicContact CG1-CG1 4.41Å; V522-V580 HydrophobicContact CG2-CG1 3.95Å; V522-V580 HydrophobicContact CG2-CG2 4.17Å; V522-I628 HydrophobicContact CG1-CG2 3.49Å; V522-I628 VanDerWaalsContact CG1-CG2 3.49Å; V522-F630 HydrophobicContact CG2-CB 4.33Å
523	H	94.4	Very high	90.5	Very high	58 Å²	58	46.1 Å²	46.1	27%	0.269	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-57.9	-174.7	-71.1	-70.1	0	0	0	111.5	T521 F563 D564 L608 S629	T521-H523 VanDerWaalsContact CG2-CE1 3.49Å; T521-H523 WeakPolarHBondContact CG2-CE1 3.17Å; H523-F563 PolarHBondContact O-N 2.82Å; H523-D564 IonicContact CG-OD1 3.14Å; H523-D564 IonicContact ND1-OD1 3.49Å; H523-D564 PolarHBondContact ND1-OD1 3.24Å; H523-D564 VanDerWaalsContact ND1-OD1 3.08Å; H523-D564 PolarHBondContact O-N 3.17Å; H523-L608 WeakPolarHBondContact CD2-CD1 3.39Å; H523-S629 PolarHBondContact N-O 2.83Å
524	S	96.1	Very high	90.2	Very high	11 Å²	11	50.6 Å²	50.6	8%	0.077	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158.4	-176	65	0	0	0	0	112.7	E526 A561 I628 S629	S524-E526 WeakPolarHBondContact CB-OE1 3.36Å; S524-E526 PolarHBondContact OG-OE1 3.27Å; S524-A561 CarbonylContact C-O 3.6Å; S524-A561 WeakPolarHBondContact CA-O 3.39Å; S524-A561 WeakPolarHBondContact CB-O 3.29Å; S524-I628 WeakPolarHBondContact O-CA 3.34Å; S524-I628 WeakPolarHBondContact O-CG2 3.43Å; S524-S629 PolarHBondContact N-O 3.02Å; S524-S629 PolarHBondContact O-N 2.93Å; S524-S629 WeakPolarHBondContact OG-CB 3.45Å
525	A	96.3	Very high	90	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126	158.7	0	0	0	0	0	109.3	L528 A561 F563 V582 H627 I628	A525-L528 HydrophobicContact CB-CD1 4.41Å; A525-L528 HydrophobicContact CB-CD2 4.06Å; A525-A561 PolarHBondContact N-O 3.01Å; A525-A561 PolarHBondContact O-N 2.94Å; A525-F563 HydrophobicContact CB-CE2 3.78Å; A525-V582 HydrophobicContact CB-CG2 4.27Å; A525-H627 CarbonylContact C-O 3.55Å; A525-H627 VanDerWaalsContact CA-O 3.27Å; A525-H627 WeakPolarHBondContact CA-O 3.27Å; A525-I628 HydrophobicContact CB-CG1 4.08Å
526	E	95.7	Very high	89.9	Confident	65 Å²	65	47.8 Å²	47.8	30%	0.304	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	158.6	-168	-69.1	170.2	-138	0	0	110.9	S524 L528 H560 G626 H627	S524-E526 WeakPolarHBondContact CB-OE1 3.36Å; S524-E526 PolarHBondContact OG-OE1 3.27Å; E526-L528 VanDerWaalsContact C-N 3.29Å; E526-L528 PolarHBondContact O-N 3.43Å; E526-H560 HydrophobicContact CG-CB 4.36Å; E526-G626 CarbonylContact O-C 3.58Å; E526-G626 WeakPolarHBondContact O-CA 3.48Å; E526-H627 VanDerWaalsContact CB-CE1 3.49Å; E526-H627 WeakPolarHBondContact CB-CE1 3.5Å; E526-H627 PolarHBondContact N-O 2.89Å; E526-H627 PolarHBondContact O-N 3.15Å; E526-H627 IonicContact OE2-CE1 2.82Å; E526-H627 IonicContact OE2-NE2 3.82Å
527	D	93.8	Very high	89.9	Confident	74 Å²	74	47.5 Å²	47.5	40%	0.396	24%	0.243	S	C	.	.	S	Bend	trans	55.1	38.5	-178.7	-56	-46.5	0	0	0	114	V559 H560 Q625 G626 H627	D527-V559 PolarHBondContact N-O 3.14Å; D527-H560 PolarHBondContact N-ND1 3.09Å; D527-H560 IonicContact OD1-CE1 3.59Å; D527-H560 PolarHBondContact OD1-CE1 2.72Å; D527-H560 IonicContact OD1-ND1 3.91Å; D527-Q625 WeakPolarHBondContact O-CG 3.14Å; D527-G626 VanDerWaalsContact O-CA 3.24Å; D527-G626 WeakPolarHBondContact O-CA 3.31Å; D527-G626 PolarHBondContact O-N 3.31Å; D527-H627 IonicContact OD2-CE1 3.13Å; D527-H627 PolarHBondContact OD2-CE1 2.7Å; D527-H627 IonicContact OD2-ND1 2.76Å
528	L	92.7	Very high	89.9	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.021	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-65.9	136.9	-176.7	-62.7	176.3	0	0	0	112.7	A525 E526 K530 P539 V559 V582 L593 L613	A525-L528 HydrophobicContact CB-CD1 4.41Å; A525-L528 HydrophobicContact CB-CD2 4.06Å; E526-L528 VanDerWaalsContact C-N 3.29Å; E526-L528 PolarHBondContact O-N 3.43Å; L528-K530 PolarHBondContact O-N 3.04Å; L528-P539 HydrophobicContact CD1-CB 3.54Å; L528-P539 HydrophobicContact CD1-CG 3.74Å; L528-V559 HydrophobicContact CB-CB 4.17Å; L528-V559 WeakPolarHBondContact CG-O 3.49Å; L528-V559 PolarHBondContact N-O 2.77Å; L528-V559 VanDerWaalsContact N-O 3.11Å; L528-V582 HydrophobicContact CD1-CG1 4.27Å; L528-V582 HydrophobicContact CD2-CG1 4.1Å; L528-L593 HydrophobicContact CB-CD1 4.28Å; L528-L593 HydrophobicContact CD1-CD1 4.06Å; L528-L593 HydrophobicContact CD2-CD1 4.31Å; L528-L593 HydrophobicContact CG-CD1 4.46Å; L528-L613 HydrophobicContact CD2-CD1 3.61Å
529	E	88.6	Confident	90	Very high	62 Å²	62	49.3 Å²	49.3	29%	0.29	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-59.7	126.8	-179	-171.2	-177.7	-176.3	0	0	112.3	K624 Q625	E529-K624 IonicContact OE2-NZ 3.92Å; E529-K624 PolarHBondContact OE2-NZ 3.39Å; E529-Q625 HydrophobicContact CB-CB 4.22Å
530	K	85.7	Confident	90.2	Very high	103 Å²	103	50.3 Å²	50.3	45%	0.448	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-94.9	133.1	165.3	-66	-172.1	179	-174.7	0	109.7	L528 V537 V559	L528-K530 PolarHBondContact O-N 3.04Å; K530-V537 HydrophobicContact CG-CG2 3.85Å; K530-V559 HydrophobicContact CD-CG1 4.32Å; K530-V559 VanDerWaalsContact CE-CG1 3.46Å; K530-V559 HydrophobicContact CG-CG1 3.91Å
531	K	79.1	Confident	90.3	Very high	117 Å²	117	50.3 Å²	50.3	51%	0.509	26%	0.257	S	S	.	.	S	Bend	trans	-78	-30.4	174.9	-163.3	178.2	177.8	-174.7	0	111.6	E535	K531-E535 WeakPolarHBondContact CA-OE2 3.31Å; K531-E535 WeakPolarHBondContact CB-OE2 3.4Å; K531-E535 PolarHBondContact N-OE2 3.45Å
532	Y	80.7	Confident	90.4	Very high	144 Å²	144	50.3 Å²	50.3	57%	0.565	26%	0.257	S	S	*	.	S	Bend	trans	-136.7	150	177.1	-50.8	-77.9	0	0	0	110.5	N534 E535	Y532-N534 PolarHBondContact O-N 3.28Å; Y532-E535 PolarHBondContact N-OE2 2.72Å; Y532-E535 VanDerWaalsContact O-CB 3.28Å; Y532-E535 WeakPolarHBondContact O-CB 3.48Å; Y532-E535 PolarHBondContact O-N 2.94Å
533	A	76.6	Confident	90.5	Very high	88 Å²	88	50.3 Å²	50.3	73%	0.727	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-37.7	-177.9	0	0	0	0	0	113.2
534	N	80.3	Confident	90.5	Very high	159 Å²	159	50.6 Å²	50.6	85%	0.85	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	12	-178.7	-62.4	-6.3	0	0	0	113.5	Y532	Y532-N534 PolarHBondContact O-N 3.28Å
535	E	83.6	Confident	90.4	Very high	25 Å²	25	50.7 Å²	50.7	12%	0.117	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-73.5	134	179.7	-175.8	-180	-178.3	0	0	111.8	K531 Y532 N584 R586 Q591	K531-E535 WeakPolarHBondContact CA-OE2 3.31Å; K531-E535 WeakPolarHBondContact CB-OE2 3.4Å; K531-E535 PolarHBondContact N-OE2 3.45Å; Y532-E535 PolarHBondContact N-OE2 2.72Å; Y532-E535 VanDerWaalsContact O-CB 3.28Å; Y532-E535 WeakPolarHBondContact O-CB 3.48Å; Y532-E535 PolarHBondContact O-N 2.94Å; E535-N584 PolarHBondContact OE1-ND2 3.46Å; E535-R586 IonicContact OE1-CZ 3Å; E535-R586 VanDerWaalsContact OE1-CZ 3.3Å; E535-R586 IonicContact OE1-NE 2.77Å; E535-R586 PolarHBondContact OE1-NE 3.13Å; E535-R586 IonicContact OE1-NH2 3.21Å; E535-R586 PolarHBondContact OE1-NH2 3.49Å; E535-R586 IonicContact OE2-NH2 3.32Å; E535-Q591 PolarHBondContact OE1-OE1 2.97Å
536	T	88	Confident	90.1	Very high	83 Å²	83	53.4 Å²	53.4	51%	0.509	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-82.9	124	165.6	52.4	0	0	0	0	109.7
537	V	91.4	Very high	89.7	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.006	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-102.4	122.1	178.5	-173.8	0	0	0	0	108.1	K530 P539 N557 T558 V559 N584 L593	K530-V537 HydrophobicContact CG-CG2 3.85Å; V537-P539 WeakPolarHBondContact O-CD 3.45Å; V537-N557 CarbonylContact O-C 3.57Å; V537-N557 WeakPolarHBondContact O-CA 3.38Å; V537-N557 PolarHBondContact O-N 3.4Å; V537-N557 VanDerWaalsContact O-N 3.13Å; V537-T558 PolarHBondContact O-N 2.72Å; V537-V559 HydrophobicContact CB-CG1 4.05Å; V537-V559 HydrophobicContact CG1-CG1 4.47Å; V537-V559 HydrophobicContact CG2-CG1 3.85Å; V537-N584 HydrophobicContact CG1-CB 4.47Å; V537-L593 HydrophobicContact CG1-CD1 4.21Å
538	N	95	Very high	89.6	Confident	38 Å²	38	60.4 Å²	60.4	20%	0.203	31%	0.313	C	S	.	.			trans	-119.1	76.1	179.9	-57.2	-62	0	0	0	109.8	V554 Q555 K556 N557 N584 S585	N538-V554 HydrophobicContact CB-CG1 3.72Å; N538-Q555 CarbonylContact C-O 3.55Å; N538-Q555 VanDerWaalsContact C-O 3.23Å; N538-Q555 WeakPolarHBondContact CA-O 3.36Å; N538-K556 WeakPolarHBondContact OD1-CA 3.19Å; N538-N557 PolarHBondContact OD1-N 3.16Å; N538-N584 PolarHBondContact N-OD1 3.16Å; N538-S585 PolarHBondContact O-N 2.55Å
539	P	96	Very high	89.7	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	147.3	-167.3	32.4	-35.8	0	0	0	112.7	L528 V537 Q555 T558 A561 F563 V582 W583 L593	L528-P539 HydrophobicContact CD1-CB 3.54Å; L528-P539 HydrophobicContact CD1-CG 3.74Å; V537-P539 WeakPolarHBondContact O-CD 3.45Å; P539-Q555 WeakPolarHBondContact CD-O 3.33Å; P539-Q555 HydrophobicContact CG-CB 4.19Å; P539-Q555 PolarHBondContact O-N 2.75Å; P539-T558 WeakPolarHBondContact CD-O 3.36Å; P539-T558 HydrophobicContact CG-CG2 4.19Å; P539-A561 HydrophobicContact CB-CB 4.31Å; P539-A561 HydrophobicContact CG-CB 3.42Å; P539-A561 VanDerWaalsContact CG-CB 3.42Å; P539-F563 HydrophobicContact CB-CZ 4.14Å; P539-F563 HydrophobicContact CG-CZ 4.33Å; P539-F563 WeakPolarHBondContact O-CE1 3.47Å; P539-V582 HydrophobicContact CB-CG1 4.26Å; P539-W583 CarbonylContact C-O 3.17Å; P539-W583 WeakPolarHBondContact CA-O 3.49Å; P539-L593 HydrophobicContact CB-CD1 4.39Å
540	Y	96.4	Very high	90	Very high	21 Å²	21	61.6 Å²	61.6	8%	0.082	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158.5	171.2	73	-88.8	0	0	0	111	V542 V554 W583 D590	Y540-V542 HydrophobicContact CD2-CG2 4.04Å; Y540-V542 HydrophobicContact CE2-CG2 3.54Å; Y540-V554 HydrophobicContact CD1-CG2 4.27Å; Y540-V554 HydrophobicContact CG-CG2 4.36Å; Y540-W583 HydrophobicContact CD1-CB 3.87Å; Y540-W583 HydrophobicContact CD2-CB 4.23Å; Y540-W583 HydrophobicContact CE1-CB 3.39Å; Y540-W583 HydrophobicContact CE1-CG 4.41Å; Y540-W583 HydrophobicContact CE2-CB 3.77Å; Y540-W583 HydrophobicContact CE2-CG 4.1Å; Y540-W583 HydrophobicContact CG-CB 4.28Å; Y540-W583 AromaticContact CZ-CG 3.88Å; Y540-W583 PolarHBondContact N-O 3.22Å; Y540-W583 PolarHBondContact O-N 2.79Å; Y540-D590 HydrophobicContact CE1-CB 4.39Å; Y540-D590 WeakPolarHBondContact CE1-OD2 3.49Å; Y540-D590 VanDerWaalsContact CZ-OD2 3.3Å; Y540-D590 PolarHBondContact OH-OD2 2.98Å
541	L	96.7	Very high	90.5	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	145.6	-179.1	-57	175.7	0	0	0	111.4	V522 R551 S552 F563 V580 Q581 V582	V522-L541 HydrophobicContact CB-CD1 3.57Å; V522-L541 HydrophobicContact CG1-CD1 3.42Å; V522-L541 VanDerWaalsContact CG1-CD1 3.42Å; V522-L541 HydrophobicContact CG1-CD2 4.35Å; V522-L541 HydrophobicContact CG2-CD1 4.22Å; L541-R551 VanDerWaalsContact O-CA 3.29Å; L541-R551 WeakPolarHBondContact O-CA 3.48Å; L541-S552 PolarHBondContact N-OG 3.2Å; L541-S552 PolarHBondContact O-N 2.93Å; L541-F563 HydrophobicContact CD1-CB 3.63Å; L541-F563 HydrophobicContact CD1-CD1 4Å; L541-F563 HydrophobicContact CD1-CD2 3.53Å; L541-F563 HydrophobicContact CD1-CE2 4.13Å; L541-F563 HydrophobicContact CD1-CG 3.44Å; L541-F563 VanDerWaalsContact CD1-CG 3.44Å; L541-F563 HydrophobicContact CD2-CD2 3.93Å; L541-F563 HydrophobicContact CD2-CE2 3.66Å; L541-F563 HydrophobicContact CD2-CG 4.45Å; L541-F563 HydrophobicContact CD2-CZ 3.99Å; L541-F563 HydrophobicContact CG-CB 4.42Å; L541-F563 HydrophobicContact CG-CD1 3.86Å; L541-F563 HydrophobicContact CG-CD2 3.71Å; L541-F563 HydrophobicContact CG-CE1 3.96Å; L541-F563 HydrophobicContact CG-CE2 3.78Å; L541-F563 HydrophobicContact CG-CG 3.72Å; L541-F563 HydrophobicContact CG-CZ 3.91Å; L541-V580 HydrophobicContact CD2-CG1 4.32Å; L541-Q581 CarbonylContact C-O 3.48Å; L541-Q581 VanDerWaalsContact CA-O 3.3Å; L541-Q581 WeakPolarHBondContact CA-O 3.43Å; L541-V582 HydrophobicContact CD2-CG2 3.84Å
542	V	96.9	Very high	91.2	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.024	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	108.8	161.4	-170.6	0	0	0	0	108.2	Y540 K544 E549 V550 R551 Q581	Y540-V542 HydrophobicContact CD2-CG2 4.04Å; Y540-V542 HydrophobicContact CE2-CG2 3.54Å; V542-K544 HydrophobicContact CG1-CD 4.25Å; V542-K544 HydrophobicContact CG1-CG 3.89Å; V542-E549 HydrophobicContact CG1-CB 4.22Å; V542-V550 CarbonylContact C-O 3.59Å; V542-V550 WeakPolarHBondContact CA-O 3.26Å; V542-R551 HydrophobicContact CG1-CG 4.28Å; V542-R551 HydrophobicContact CG2-CG 4.18Å; V542-Q581 HydrophobicContact CB-CB 4.34Å; V542-Q581 PolarHBondContact N-O 2.68Å; V542-Q581 PolarHBondContact O-N 3.18Å
543	I	96.8	Very high	91.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.2	177.9	-51.8	173.2	0	0	0	107.6	I520 V522 E549 V550 T565 A567 F569 I578 I579 V580	I520-I543 HydrophobicContact CG2-CD1 4.41Å; I520-I543 HydrophobicContact CG2-CG2 3.85Å; V522-I543 HydrophobicContact CG2-CD1 3.8Å; V522-I543 HydrophobicContact CG2-CG1 4.33Å; I543-E549 CarbonylContact O-C 3.58Å; I543-E549 VanDerWaalsContact O-CA 3.3Å; I543-E549 WeakPolarHBondContact O-CA 3.43Å; I543-V550 HydrophobicContact CB-CB 4.46Å; I543-V550 PolarHBondContact N-O 3.27Å; I543-V550 PolarHBondContact O-N 3.2Å; I543-T565 HydrophobicContact CD1-CG2 4.22Å; I543-A567 HydrophobicContact CD1-CB 4.08Å; I543-A567 HydrophobicContact CG2-CB 4.36Å; I543-F569 HydrophobicContact CB-CZ 4.41Å; I543-F569 HydrophobicContact CG2-CE2 3.62Å; I543-F569 HydrophobicContact CG2-CZ 3.81Å; I543-I578 HydrophobicContact CG2-CG2 3.94Å; I543-I579 WeakPolarHBondContact CA-O 3.5Å; I543-V580 HydrophobicContact CG1-CG1 4.47Å; I543-V580 HydrophobicContact CG2-CG2 4.37Å
544	K	95.4	Very high	92.4	Very high	63 Å²	63	52.2 Å²	52.2	27%	0.274	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.2	-174.8	-57.1	-168.3	173.4	-160.6	0	111.5	V542 E548 E549 I578 I579	V542-K544 HydrophobicContact CG1-CD 4.25Å; V542-K544 HydrophobicContact CG1-CG 3.89Å; K544-E548 WeakPolarHBondContact CA-O 2.95Å; K544-E549 WeakPolarHBondContact CE-OE2 3.48Å; K544-E549 HydrophobicContact CG-CB 4.02Å; K544-E549 IonicContact NZ-OE2 3.08Å; K544-E549 PolarHBondContact NZ-OE2 2.9Å; K544-E549 VanDerWaalsContact NZ-OE2 3.15Å; K544-I578 WeakPolarHBondContact O-CA 3.45Å; K544-I579 HydrophobicContact CB-CB 4.41Å; K544-I579 PolarHBondContact N-O 3.35Å; K544-I579 PolarHBondContact O-N 2.92Å
545	C	93.8	Very high	93.1	Very high	13 Å²	13	47.7 Å²	47.7	9%	0.088	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	107.3	164.2	-172.2	0	0	0	0	108.6	K547 E548 F569 R571 I578	C545-K547 PolarHBondContact O-N 3.03Å; C545-E548 PolarHBondContact N-O 2.97Å; C545-E548 PolarHBondContact O-N 2.98Å; C545-F569 HydrophobicContact CB-CB 4.02Å; C545-F569 HydrophobicContact CB-CD1 3.53Å; C545-F569 HydrophobicContact CB-CD2 4.04Å; C545-F569 HydrophobicContact CB-CE1 3.92Å; C545-F569 HydrophobicContact CB-CE2 4.4Å; C545-F569 HydrophobicContact CB-CG 3.58Å; C545-F569 HydrophobicContact CB-CZ 4.34Å; C545-R571 WeakPolarHBondContact SG-CD 2.99Å; C545-I578 HydrophobicContact CB-CG1 4.44Å
546	G	88.6	Confident	93.5	Very high	58 Å²	58	54.9 Å²	54.9	60%	0.598	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	-111.5	-174.1	0	0	0	0	0	112.6
547	K	87.4	Confident	93.7	Very high	205 Å²	205	56.3 Å²	56.3	89%	0.891	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-12	179.5	-64.3	-171.6	-180	-173.4	0	113.8	C545	C545-K547 PolarHBondContact O-N 3.03Å
548	E	91.9	Very high	93.8	Very high	80 Å²	80	58.1 Å²	58.1	37%	0.374	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	137.1	178.5	-61.4	-162.4	148.6	0	0	109.7	K433 K544 C545 F569	K433-E548 IonicContact NZ-OE1 2.73Å; K544-E548 WeakPolarHBondContact CA-O 2.95Å; C545-E548 PolarHBondContact N-O 2.97Å; C545-E548 PolarHBondContact O-N 2.98Å; E548-F569 HydrophobicContact CB-CD1 4.05Å; E548-F569 HydrophobicContact CB-CE1 3.98Å
549	E	94.9	Very high	93.7	Very high	83 Å²	83	57.8 Å²	57.8	39%	0.388	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.9	173.7	66.4	172.2	-139.9	0	0	111.6	V542 I543 K544 R551	V542-E549 HydrophobicContact CG1-CB 4.22Å; I543-E549 CarbonylContact O-C 3.58Å; I543-E549 VanDerWaalsContact O-CA 3.3Å; I543-E549 WeakPolarHBondContact O-CA 3.43Å; K544-E549 WeakPolarHBondContact CE-OE2 3.48Å; K544-E549 HydrophobicContact CG-CB 4.02Å; K544-E549 IonicContact NZ-OE2 3.08Å; K544-E549 PolarHBondContact NZ-OE2 2.9Å; K544-E549 VanDerWaalsContact NZ-OE2 3.15Å; E549-R551 IonicContact OE1-CZ 3.87Å; E549-R551 VanDerWaalsContact OE1-CZ 3.32Å; E549-R551 IonicContact OE1-NE 2.78Å; E549-R551 PolarHBondContact OE1-NE 2.58Å; E549-R551 IonicContact OE1-NH2 3.15Å; E549-R551 PolarHBondContact OE1-NH2 3.22Å
550	V	95.3	Very high	93.6	Very high	9 Å²	9	62.4 Å²	62.4	6%	0.055	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135	174	173.7	0	0	0	0	108.1	M430 N431 V542 I543 A567 F569	M430-V550 HydrophobicContact CB-CG1 3.57Å; M430-V550 HydrophobicContact CG-CG1 4.09Å; N431-V550 HydrophobicContact CB-CG2 3.73Å; N431-V550 VanDerWaalsContact CG-CG2 3.46Å; V542-V550 CarbonylContact C-O 3.59Å; V542-V550 WeakPolarHBondContact CA-O 3.26Å; I543-V550 HydrophobicContact CB-CB 4.46Å; I543-V550 PolarHBondContact N-O 3.27Å; I543-V550 PolarHBondContact O-N 3.2Å; V550-A567 HydrophobicContact CB-CB 4.03Å; V550-A567 HydrophobicContact CG1-CB 4.14Å; V550-A567 HydrophobicContact CG2-CB 3.87Å; V550-F569 HydrophobicContact CG2-CE1 4.41Å; V550-F569 HydrophobicContact CG2-CZ 4.2Å
551	R	94.8	Very high	93.5	Very high	141 Å²	141	61.4 Å²	61.4	53%	0.532	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.1	178.8	-58	-170	-176.4	-169.1	1.3	110.8	L541 V542 E549	L541-R551 VanDerWaalsContact O-CA 3.29Å; L541-R551 WeakPolarHBondContact O-CA 3.48Å; V542-R551 HydrophobicContact CG1-CG 4.28Å; V542-R551 HydrophobicContact CG2-CG 4.18Å; E549-R551 IonicContact OE1-CZ 3.87Å; E549-R551 VanDerWaalsContact OE1-CZ 3.32Å; E549-R551 IonicContact OE1-NE 2.78Å; E549-R551 PolarHBondContact OE1-NE 2.58Å; E549-R551 IonicContact OE1-NH2 3.15Å; E549-R551 PolarHBondContact OE1-NH2 3.22Å
552	S	94.1	Very high	93.4	Very high	11 Å²	11	66.5 Å²	66.5	8%	0.077	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-77.1	163.9	172.5	76.2	0	0	0	0	111.1	L541 F563 T565	L541-S552 PolarHBondContact N-OG 3.2Å; L541-S552 PolarHBondContact O-N 2.93Å; S552-F563 WeakPolarHBondContact OG-CD1 3.15Å; S552-T565 WeakPolarHBondContact CB-OG1 3.41Å
553	P	91	Very high	93.1	Very high	38 Å²	38	67 Å²	67	25%	0.247	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-57.5	154.8	159.1	-21.2	34.2	0	0	0	111.8	K464	K464-P553 HydrophobicContact CD-CB 4.48Å; K464-P553 HydrophobicContact CD-CG 4Å
554	V	93.2	Very high	92.9	Very high	65 Å²	65	70.4 Å²	70.4	39%	0.394	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-80.5	124.4	175	-179.8	0	0	0	0	109.2	N538 Y540	N538-V554 HydrophobicContact CB-CG1 3.72Å; Y540-V554 HydrophobicContact CD1-CG2 4.27Å; Y540-V554 HydrophobicContact CG-CG2 4.36Å
555	Q	93.6	Very high	92.7	Very high	63 Å²	63	67.7 Å²	67.7	29%	0.294	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-82.9	133.1	169.5	-63.6	-58.6	-33.8	0	0	108.8	N538 P539 T558 A561 I562 F563	N538-Q555 CarbonylContact C-O 3.55Å; N538-Q555 VanDerWaalsContact C-O 3.23Å; N538-Q555 WeakPolarHBondContact CA-O 3.36Å; P539-Q555 WeakPolarHBondContact CD-O 3.33Å; P539-Q555 HydrophobicContact CG-CB 4.19Å; P539-Q555 PolarHBondContact O-N 2.75Å; Q555-T558 HydrophobicContact CB-CG2 3.88Å; Q555-A561 HydrophobicContact CB-CB 4.04Å; Q555-A561 HydrophobicContact CG-CB 4.03Å; Q555-I562 PolarHBondContact NE2-O 3.47Å; Q555-I562 VanDerWaalsContact NE2-O 3.1Å; Q555-F563 HydrophobicContact CB-CE1 4.44Å; Q555-F563 HydrophobicContact CG-CD1 3.89Å; Q555-F563 HydrophobicContact CG-CE1 3.67Å; Q555-F563 HydrophobicContact CG-CZ 4.42Å
556	K	92.4	Very high	92.7	Very high	176 Å²	176	68.1 Å²	68.1	77%	0.765	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-95.2	134.9	-172.1	-66.6	-178.2	-178.3	175.5	0	111.3	N538 T558	N538-K556 WeakPolarHBondContact OD1-CA 3.19Å; K556-T558 PolarHBondContact O-N 3.13Å
557	N	92.4	Very high	93	Very high	113 Å²	113	65.3 Å²	65.3	60%	0.604	32%	0.316	S	S	*	.	S	Bend	trans	47.5	53.1	170	-167.8	38.3	0	0	0	114.5	V537 N538	V537-N557 CarbonylContact O-C 3.57Å; V537-N557 WeakPolarHBondContact O-CA 3.38Å; V537-N557 PolarHBondContact O-N 3.4Å; V537-N557 VanDerWaalsContact O-N 3.13Å; N538-N557 PolarHBondContact OD1-N 3.16Å
558	T	93.4	Very high	93.4	Very high	40 Å²	40	55.7 Å²	55.7	25%	0.245	27%	0.274	C	S	.	.			trans	-146.2	146.8	179.9	-173.7	0	0	0	0	112	V537 P539 Q555 K556 H560 A561	V537-T558 PolarHBondContact O-N 2.72Å; P539-T558 WeakPolarHBondContact CD-O 3.36Å; P539-T558 HydrophobicContact CG-CG2 4.19Å; Q555-T558 HydrophobicContact CB-CG2 3.88Å; K556-T558 PolarHBondContact O-N 3.13Å; T558-H560 VanDerWaalsContact OG1-C 3.3Å; T558-H560 PolarHBondContact OG1-N 3.12Å; T558-H560 PolarHBondContact OG1-O 3.09Å; T558-A561 HydrophobicContact CG2-CB 4.05Å
559	V	92.7	Very high	93.6	Very high	30 Å²	30	52 Å²	52	18%	0.182	26%	0.257	C	S	.	.	S	Bend	trans	-104.2	-3.8	168.4	-64.3	0	0	0	0	112.6	D527 L528 K530 V537	D527-V559 PolarHBondContact N-O 3.14Å; L528-V559 HydrophobicContact CB-CB 4.17Å; L528-V559 WeakPolarHBondContact CG-O 3.49Å; L528-V559 PolarHBondContact N-O 2.77Å; L528-V559 VanDerWaalsContact N-O 3.11Å; K530-V559 HydrophobicContact CD-CG1 4.32Å; K530-V559 VanDerWaalsContact CE-CG1 3.46Å; K530-V559 HydrophobicContact CG-CG1 3.91Å; V537-V559 HydrophobicContact CB-CG1 4.05Å; V537-V559 HydrophobicContact CG1-CG1 4.47Å; V537-V559 HydrophobicContact CG2-CG1 3.85Å
560	H	94.5	Very high	93.4	Very high	97 Å²	97	49.7 Å²	49.7	45%	0.449	25%	0.245	S	C	.	.	S	Bend	trans	-121.6	91.3	171.3	-54.2	-85.2	0	0	0	107.5	E526 D527 T558	E526-H560 HydrophobicContact CG-CB 4.36Å; D527-H560 PolarHBondContact N-ND1 3.09Å; D527-H560 IonicContact OD1-CE1 3.59Å; D527-H560 PolarHBondContact OD1-CE1 2.72Å; D527-H560 IonicContact OD1-ND1 3.91Å; T558-H560 VanDerWaalsContact OG1-C 3.3Å; T558-H560 PolarHBondContact OG1-N 3.12Å; T558-H560 PolarHBondContact OG1-O 3.09Å
561	A	94.2	Very high	93.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.9	-172.1	0	0	0	0	0	110.5	S524 A525 P539 Q555 T558 F563	S524-A561 CarbonylContact C-O 3.6Å; S524-A561 WeakPolarHBondContact CA-O 3.39Å; S524-A561 WeakPolarHBondContact CB-O 3.29Å; A525-A561 PolarHBondContact N-O 3.01Å; A525-A561 PolarHBondContact O-N 2.94Å; P539-A561 HydrophobicContact CB-CB 4.31Å; P539-A561 HydrophobicContact CG-CB 3.42Å; P539-A561 VanDerWaalsContact CG-CB 3.42Å; Q555-A561 HydrophobicContact CB-CB 4.04Å; Q555-A561 HydrophobicContact CG-CB 4.03Å; T558-A561 HydrophobicContact CG2-CB 4.05Å; A561-F563 HydrophobicContact CB-CD2 4.31Å; A561-F563 HydrophobicContact CB-CE1 4.1Å; A561-F563 HydrophobicContact CB-CE2 3.53Å; A561-F563 HydrophobicContact CB-CZ 3.41Å; A561-F563 VanDerWaalsContact CB-CZ 3.41Å
562	I	94.1	Very high	92.9	Very high	108 Å²	108	48.1 Å²	48.1	55%	0.554	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.8	171.4	-58	173.6	0	0	0	107.4	Q555 D564	Q555-I562 PolarHBondContact NE2-O 3.47Å; Q555-I562 VanDerWaalsContact NE2-O 3.1Å; I562-D564 WeakPolarHBondContact CG2-OD2 3.46Å
563	F	91.7	Very high	92.3	Very high	14 Å²	14	49.9 Å²	49.9	6%	0.061	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-41.4	-174.9	-64.5	-71.9	0	0	0	113	H523 A525 P539 L541 S552 Q555 A561 T565	H523-F563 PolarHBondContact O-N 2.82Å; A525-F563 HydrophobicContact CB-CE2 3.78Å; P539-F563 HydrophobicContact CB-CZ 4.14Å; P539-F563 HydrophobicContact CG-CZ 4.33Å; P539-F563 WeakPolarHBondContact O-CE1 3.47Å; L541-F563 HydrophobicContact CD1-CB 3.63Å; L541-F563 HydrophobicContact CD1-CD1 4Å; L541-F563 HydrophobicContact CD1-CD2 3.53Å; L541-F563 HydrophobicContact CD1-CE2 4.13Å; L541-F563 HydrophobicContact CD1-CG 3.44Å; L541-F563 VanDerWaalsContact CD1-CG 3.44Å; L541-F563 HydrophobicContact CD2-CD2 3.93Å; L541-F563 HydrophobicContact CD2-CE2 3.66Å; L541-F563 HydrophobicContact CD2-CG 4.45Å; L541-F563 HydrophobicContact CD2-CZ 3.99Å; L541-F563 HydrophobicContact CG-CB 4.42Å; L541-F563 HydrophobicContact CG-CD1 3.86Å; L541-F563 HydrophobicContact CG-CD2 3.71Å; L541-F563 HydrophobicContact CG-CE1 3.96Å; L541-F563 HydrophobicContact CG-CE2 3.78Å; L541-F563 HydrophobicContact CG-CG 3.72Å; L541-F563 HydrophobicContact CG-CZ 3.91Å; S552-F563 WeakPolarHBondContact OG-CD1 3.15Å; Q555-F563 HydrophobicContact CB-CE1 4.44Å; Q555-F563 HydrophobicContact CG-CD1 3.89Å; Q555-F563 HydrophobicContact CG-CE1 3.67Å; Q555-F563 HydrophobicContact CG-CZ 4.42Å; A561-F563 HydrophobicContact CB-CD2 4.31Å; A561-F563 HydrophobicContact CB-CE1 4.1Å; A561-F563 HydrophobicContact CB-CE2 3.53Å; A561-F563 HydrophobicContact CB-CZ 3.41Å; A561-F563 VanDerWaalsContact CB-CZ 3.41Å; F563-T565 PolarHBondContact O-N 2.74Å; F563-T565 PolarHBondContact O-OG1 3.32Å; F563-T565 VanDerWaalsContact O-OG1 3.13Å
564	D	90.7	Very high	91.9	Very high	71 Å²	71	49.8 Å²	49.8	38%	0.38	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	38.8	42.5	-169.8	-62.9	-47.2	0	0	0	112.7	V522 H523 I562	V522-D564 WeakPolarHBondContact O-CA 3.42Å; V522-D564 PolarHBondContact O-N 3.26Å; V522-D564 VanDerWaalsContact O-N 3.13Å; H523-D564 IonicContact CG-OD1 3.14Å; H523-D564 IonicContact ND1-OD1 3.49Å; H523-D564 PolarHBondContact ND1-OD1 3.24Å; H523-D564 VanDerWaalsContact ND1-OD1 3.08Å; H523-D564 PolarHBondContact O-N 3.17Å; I562-D564 WeakPolarHBondContact CG2-OD2 3.46Å
565	T	92.5	Very high	91.5	Very high	7 Å²	7	53.2 Å²	53.2	4%	0.043	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.1	-173.7	-65.7	0	0	0	0	109.1	M430 T521 V522 I543 S552 F563	M430-T565 HydrophobicContact CG-CG2 4.32Å; T521-T565 WeakPolarHBondContact CA-O 3.18Å; V522-T565 PolarHBondContact N-O 2.97Å; V522-T565 PolarHBondContact O-N 3.42Å; I543-T565 HydrophobicContact CD1-CG2 4.22Å; S552-T565 WeakPolarHBondContact CB-OG1 3.41Å; F563-T565 PolarHBondContact O-N 2.74Å; F563-T565 PolarHBondContact O-OG1 3.32Å; F563-T565 VanDerWaalsContact O-OG1 3.13Å
566	Q	94	Very high	91.2	Very high	21 Å²	21	53.4 Å²	53.4	10%	0.098	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	138.8	-178.9	-49.6	-170.3	-31.7	0	0	111.2	E429 M430 I441 I520 T521	E429-Q566 WeakPolarHBondContact CA-O 3.44Å; E429-Q566 HydrophobicContact CB-CB 4.34Å; E429-Q566 HydrophobicContact CG-CB 3.86Å; M430-Q566 PolarHBondContact N-O 3Å; I441-Q566 PolarHBondContact O-NE2 2.9Å; I520-Q566 CarbonylContact O-C 3.46Å; I520-Q566 VanDerWaalsContact O-CA 3.3Å; I520-Q566 WeakPolarHBondContact O-CA 3.42Å; T521-Q566 HydrophobicContact CG2-CG 4.04Å; T521-Q566 WeakPolarHBondContact OG1-CG 3.29Å; T521-Q566 PolarHBondContact OG1-NE2 2.78Å
567	A	95.3	Very high	91.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	147	175.2	0	0	0	0	0	110.6	Q519 I520 I543 V550 F569	Q519-A567 WeakPolarHBondContact CA-O 3.29Å; I520-A567 HydrophobicContact CG2-CB 3.94Å; I520-A567 PolarHBondContact N-O 2.95Å; I520-A567 PolarHBondContact O-N 2.98Å; I543-A567 HydrophobicContact CD1-CB 4.08Å; I543-A567 HydrophobicContact CG2-CB 4.36Å; V550-A567 HydrophobicContact CB-CB 4.03Å; V550-A567 HydrophobicContact CG1-CB 4.14Å; V550-A567 HydrophobicContact CG2-CB 3.87Å; A567-F569 HydrophobicContact CB-CE2 3.68Å; A567-F569 HydrophobicContact CB-CZ 3.88Å
568	I	95.2	Very high	91.3	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.015	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.6	176.3	-173	167.5	0	0	0	110.2	E429 N431 V517 T518 Y570 L641	E429-I568 HydrophobicContact CB-CB 4.3Å; E429-I568 HydrophobicContact CB-CG2 3.93Å; E429-I568 HydrophobicContact CG-CB 3.94Å; E429-I568 HydrophobicContact CG-CG2 4.07Å; N431-I568 PolarHBondContact ND2-O 2.69Å; N431-I568 PolarHBondContact OD1-N 2.97Å; N431-I568 PolarHBondContact OD1-O 2.8Å; V517-I568 HydrophobicContact CG2-CD1 3.77Å; V517-I568 HydrophobicContact CG2-CG1 3.77Å; T518-I568 CarbonylContact O-C 3.55Å; T518-I568 WeakPolarHBondContact O-CA 3.48Å; I568-Y570 HydrophobicContact CD1-CE2 4.12Å; I568-Y570 HydrophobicContact CG1-CE2 4.14Å; I568-L641 HydrophobicContact CD1-CB 4.32Å
569	F	94.8	Very high	91.3	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	130.9	-178.1	-59.7	-76.7	0	0	0	110.9	V517 T518 I520 I543 C545 E548 V550 A567 R571 I578	V517-F569 WeakPolarHBondContact CA-O 3.28Å; T518-F569 PolarHBondContact N-O 3.46Å; T518-F569 PolarHBondContact O-N 3.21Å; I520-F569 HydrophobicContact CG2-CE2 4.07Å; I543-F569 HydrophobicContact CB-CZ 4.41Å; I543-F569 HydrophobicContact CG2-CE2 3.62Å; I543-F569 HydrophobicContact CG2-CZ 3.81Å; C545-F569 HydrophobicContact CB-CB 4.02Å; C545-F569 HydrophobicContact CB-CD1 3.53Å; C545-F569 HydrophobicContact CB-CD2 4.04Å; C545-F569 HydrophobicContact CB-CE1 3.92Å; C545-F569 HydrophobicContact CB-CE2 4.4Å; C545-F569 HydrophobicContact CB-CG 3.58Å; C545-F569 HydrophobicContact CB-CZ 4.34Å; E548-F569 HydrophobicContact CB-CD1 4.05Å; E548-F569 HydrophobicContact CB-CE1 3.98Å; V550-F569 HydrophobicContact CG2-CE1 4.41Å; V550-F569 HydrophobicContact CG2-CZ 4.2Å; A567-F569 HydrophobicContact CB-CE2 3.68Å; A567-F569 HydrophobicContact CB-CZ 3.88Å; F569-R571 HydrophobicContact CB-CG 4.1Å; F569-I578 HydrophobicContact CD2-CD1 4.18Å
570	Y	92.4	Very high	91.5	Very high	36 Å²	36	40.1 Å²	40.1	14%	0.141	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	103.5	172.6	-70.4	-98.4	0	0	0	108.7	F434 P502 V517 I568 L638	F434-Y570 HydrophobicContact CD2-CD2 4.02Å; F434-Y570 HydrophobicContact CD2-CE1 4.32Å; F434-Y570 AromaticContact CD2-CE2 3.26Å; F434-Y570 HydrophobicContact CD2-CE2 3.26Å; F434-Y570 AromaticContact CD2-CZ 3.42Å; F434-Y570 VanDerWaalsContact CD2-CZ 3.42Å; F434-Y570 WeakPolarHBondContact CD2-OH 3.31Å; F434-Y570 AromaticContact CE2-CD2 3.78Å; F434-Y570 HydrophobicContact CE2-CD2 3.78Å; F434-Y570 AromaticContact CE2-CE2 3.52Å; F434-Y570 HydrophobicContact CE2-CE2 3.52Å; F434-Y570 HydrophobicContact CE2-CG 4.43Å; F434-Y570 AromaticContact CE2-CZ 3.94Å; F434-Y570 HydrophobicContact CG-CE2 4.41Å; P502-Y570 VanDerWaalsContact CD-CE1 3.41Å; P502-Y570 HydrophobicContact CG-CD1 3.46Å; P502-Y570 VanDerWaalsContact CG-CD1 3.46Å; P502-Y570 HydrophobicContact CG-CD2 4.21Å; P502-Y570 HydrophobicContact CG-CE1 4.01Å; P502-Y570 HydrophobicContact CG-CG 3.56Å; V517-Y570 HydrophobicContact CB-CD1 4.22Å; V517-Y570 HydrophobicContact CB-CE1 4.15Å; V517-Y570 HydrophobicContact CG2-CD1 4.17Å; V517-Y570 HydrophobicContact CG2-CE1 3.88Å; V517-Y570 HydrophobicContact CG2-CE2 4.2Å; V517-Y570 HydrophobicContact CG2-CG 4.49Å; I568-Y570 HydrophobicContact CD1-CE2 4.12Å; I568-Y570 HydrophobicContact CG1-CE2 4.14Å; Y570-L638 HydrophobicContact CD1-CB 4.47Å; Y570-L638 HydrophobicContact CD1-CD2 4.2Å; Y570-L638 HydrophobicContact CE1-CB 4.26Å; Y570-L638 WeakPolarHBondContact CE1-O 3.43Å
571	R	91	Very high	91.6	Very high	7 Å²	7	36.3 Å²	36.3	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	146.4	-169.6	-49.8	-172.2	-57.5	168.5	-3.4	111	P514 K515 V516 T518 C545 F569 T574 D599 A600	P514-R571 CarbonylContact C-O 3.44Å; P514-R571 VanDerWaalsContact CA-O 3.27Å; P514-R571 WeakPolarHBondContact CA-O 3.48Å; K515-R571 PolarHBondContact N-O 2.93Å; V516-R571 PolarHBondContact N-O 2.95Å; V516-R571 PolarHBondContact O-N 2.99Å; T518-R571 PolarHBondContact OG1-NE 3.18Å; T518-R571 PolarHBondContact OG1-NH2 2.87Å; T518-R571 VanDerWaalsContact OG1-NH2 3.11Å; C545-R571 WeakPolarHBondContact SG-CD 2.99Å; F569-R571 HydrophobicContact CB-CG 4.1Å; R571-T574 VanDerWaalsContact NH2-CG2 3.34Å; R571-D599 PolarHBondContact NH1-O 3.05Å; R571-A600 PolarHBondContact NH2-O 2.85Å
572	R	87.1	Confident	91.7	Very high	109 Å²	109	36.3 Å²	36.3	41%	0.411	18%	0.184	S	C	.	.	S	Bend	trans	-81.4	-31	177	-61.7	178.4	-175.5	140.8	8.3	113	R511 G512	R511-R572 WeakPolarHBondContact O-CD 3.43Å; R511-R572 PolarHBondContact O-NE 3.19Å; R511-R572 PolarHBondContact O-NH1 3.04Å; G512-R572 PolarHBondContact O-NE 3.41Å
573	T	82.6	Confident	91.8	Very high	49 Å²	49	33.3 Å²	33.3	30%	0.301	17%	0.166	S	C	.	.			trans	-151.9	154.5	-176.3	117.2	0	0	0	0	107.4	D575	T573-D575 VanDerWaalsContact C-N 3.27Å; T573-D575 WeakPolarHBondContact OG1-CB 3.27Å; T573-D575 PolarHBondContact OG1-N 2.85Å; T573-D575 PolarHBondContact OG1-OD2 2.71Å
574	T	82.6	Confident	91.9	Very high	36 Å²	36	32.7 Å²	32.7	22%	0.221	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-16.3	172.2	43.4	0	0	0	0	112.6	V516 R571 I576	V516-T574 HydrophobicContact CG2-CG2 4.3Å; R571-T574 VanDerWaalsContact NH2-CG2 3.34Å; T574-I576 PolarHBondContact O-N 3.44Å; T574-I576 VanDerWaalsContact O-N 3.14Å
575	D	85.2	Confident	92	Very high	137 Å²	137	31.1 Å²	31.1	73%	0.733	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.9	178.5	-45.8	-55.9	0	0	0	113.2	T573 P577	T573-D575 VanDerWaalsContact C-N 3.27Å; T573-D575 WeakPolarHBondContact OG1-CB 3.27Å; T573-D575 PolarHBondContact OG1-N 2.85Å; T573-D575 PolarHBondContact OG1-OD2 2.71Å; D575-P577 WeakPolarHBondContact O-CD 3.36Å
576	I	87.1	Confident	91.9	Very high	67 Å²	67	34.8 Å²	34.8	34%	0.344	17%	0.171	S	C	.	.	S	Bend	trans	-89.5	103.7	170.6	-56.9	177.1	0	0	0	107.4	T574	T574-I576 PolarHBondContact O-N 3.44Å; T574-I576 VanDerWaalsContact O-N 3.14Å
577	P	91.8	Very high	91.4	Very high	36 Å²	36	43 Å²	43	23%	0.234	21%	0.206	C	C	.	.			trans	-73.7	156.3	-174.2	31.7	-37.3	0	0	0	111.3	D575 I579 T597 L598	D575-P577 WeakPolarHBondContact O-CD 3.36Å; P577-I579 HydrophobicContact CG-CG1 4.39Å; P577-T597 HydrophobicContact CB-CG2 3.53Å; P577-T597 HydrophobicContact CG-CG2 3.83Å; P577-L598 CarbonylContact C-O 3.56Å; P577-L598 VanDerWaalsContact CA-O 3.32Å; P577-L598 WeakPolarHBondContact CA-O 3.48Å; P577-L598 WeakPolarHBondContact CB-O 3.5Å
578	I	93.9	Very high	90.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	123.3	165	-62.1	-178.4	0	0	0	108.2	T518 I520 I543 K544 C545 F569 V580 T597 L598 A600	T518-I578 HydrophobicContact CG2-CD1 3.23Å; I520-I578 HydrophobicContact CD1-CG2 3.96Å; I543-I578 HydrophobicContact CG2-CG2 3.94Å; K544-I578 WeakPolarHBondContact O-CA 3.45Å; C545-I578 HydrophobicContact CB-CG1 4.44Å; F569-I578 HydrophobicContact CD2-CD1 4.18Å; I578-V580 HydrophobicContact CG2-CG2 4.39Å; I578-T597 WeakPolarHBondContact O-CA 3.05Å; I578-L598 HydrophobicContact CB-CB 4.36Å; I578-L598 PolarHBondContact N-O 2.99Å; I578-L598 PolarHBondContact O-N 3.44Å; I578-A600 HydrophobicContact CD1-CB 4.04Å
579	I	95.1	Very high	90.4	Very high	44 Å²	44	57 Å²	57	23%	0.226	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.3	179.3	-53.2	174.9	0	0	0	108.2	I543 K544 P577 Q581 Q595 V596 T597	I543-I579 WeakPolarHBondContact CA-O 3.5Å; K544-I579 HydrophobicContact CB-CB 4.41Å; K544-I579 PolarHBondContact N-O 3.35Å; K544-I579 PolarHBondContact O-N 2.92Å; P577-I579 HydrophobicContact CG-CG1 4.39Å; I579-Q581 HydrophobicContact CG2-CG 3.81Å; I579-Q595 HydrophobicContact CG2-CB 4.19Å; I579-Q595 HydrophobicContact CG2-CG 4.44Å; I579-V596 WeakPolarHBondContact CA-O 3.16Å; I579-T597 HydrophobicContact CG1-CG2 4.35Å
580	V	96.4	Very high	90.2	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	112.8	173.1	-176.4	0	0	0	0	108	I520 V522 L541 I543 I578 Q595 V596 L598 I628	I520-V580 HydrophobicContact CD1-CG2 3.57Å; V522-V580 HydrophobicContact CG1-CG1 4.41Å; V522-V580 HydrophobicContact CG2-CG1 3.95Å; V522-V580 HydrophobicContact CG2-CG2 4.17Å; L541-V580 HydrophobicContact CD2-CG1 4.32Å; I543-V580 HydrophobicContact CG1-CG1 4.47Å; I543-V580 HydrophobicContact CG2-CG2 4.37Å; I578-V580 HydrophobicContact CG2-CG2 4.39Å; V580-Q595 CarbonylContact O-C 3.55Å; V580-Q595 WeakPolarHBondContact O-CA 3.06Å; V580-Q595 WeakPolarHBondContact O-CB 3.32Å; V580-V596 PolarHBondContact N-O 3.29Å; V580-V596 PolarHBondContact O-N 2.88Å; V580-L598 HydrophobicContact CG2-CD1 4.39Å; V580-I628 HydrophobicContact CB-CD1 4.4Å; V580-I628 HydrophobicContact CG1-CD1 3.78Å
581	Q	96.1	Very high	90.2	Very high	16 Å²	16	59.3 Å²	59.3	8%	0.075	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	136	178.6	-55.4	-173.5	-35	0	0	110.4	L541 V542 I579 W583 F592 Q595	L541-Q581 CarbonylContact C-O 3.48Å; L541-Q581 VanDerWaalsContact CA-O 3.3Å; L541-Q581 WeakPolarHBondContact CA-O 3.43Å; V542-Q581 HydrophobicContact CB-CB 4.34Å; V542-Q581 PolarHBondContact N-O 2.68Å; V542-Q581 PolarHBondContact O-N 3.18Å; I579-Q581 HydrophobicContact CG2-CG 3.81Å; Q581-W583 VanDerWaalsContact CB-NE1 3.34Å; Q581-F592 HydrophobicContact CB-CE2 4.13Å; Q581-F592 HydrophobicContact CG-CE2 4.24Å; Q581-Q595 HydrophobicContact CB-CB 4.44Å; Q581-Q595 HydrophobicContact CG-CB 3.96Å; Q581-Q595 VanDerWaalsContact NE2-OE1 3.16Å
582	V	96.3	Very high	90.3	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.6	170.9	-167.2	0	0	0	0	108.5	A525 L528 P539 L541 L593 G594 L613 I628	A525-V582 HydrophobicContact CB-CG2 4.27Å; L528-V582 HydrophobicContact CD1-CG1 4.27Å; L528-V582 HydrophobicContact CD2-CG1 4.1Å; P539-V582 HydrophobicContact CB-CG1 4.26Å; L541-V582 HydrophobicContact CD2-CG2 3.84Å; V582-L593 HydrophobicContact CB-CB 4.23Å; V582-L593 HydrophobicContact CG1-CB 4.26Å; V582-L593 HydrophobicContact CG1-CD1 4.01Å; V582-L593 WeakPolarHBondContact O-CB 3.23Å; V582-L593 PolarHBondContact O-N 2.98Å; V582-G594 PolarHBondContact N-O 3.08Å; V582-G594 PolarHBondContact O-N 3.08Å; V582-L613 HydrophobicContact CB-CD2 4.47Å; V582-L613 HydrophobicContact CG2-CD1 4.4Å; V582-L613 HydrophobicContact CG2-CD2 3.71Å; V582-I628 HydrophobicContact CG2-CD1 3.44Å; V582-I628 VanDerWaalsContact CG2-CD1 3.44Å; V582-I628 HydrophobicContact CG2-CG1 3.97Å
583	W	95.8	Very high	90.6	Very high	46 Å²	46	55.6 Å²	55.6	17%	0.174	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	149.6	180	-67.7	84	0	0	0	109.7	P539 Y540 Q581 D590 Q591 F592	P539-W583 CarbonylContact C-O 3.17Å; P539-W583 WeakPolarHBondContact CA-O 3.49Å; Y540-W583 HydrophobicContact CD1-CB 3.87Å; Y540-W583 HydrophobicContact CD2-CB 4.23Å; Y540-W583 HydrophobicContact CE1-CB 3.39Å; Y540-W583 HydrophobicContact CE1-CG 4.41Å; Y540-W583 HydrophobicContact CE2-CB 3.77Å; Y540-W583 HydrophobicContact CE2-CG 4.1Å; Y540-W583 HydrophobicContact CG-CB 4.28Å; Y540-W583 AromaticContact CZ-CG 3.88Å; Y540-W583 PolarHBondContact N-O 3.22Å; Y540-W583 PolarHBondContact O-N 2.79Å; Q581-W583 VanDerWaalsContact CB-NE1 3.34Å; W583-D590 HydrophobicContact CE3-CB 4.11Å; W583-Q591 CarbonylContact C-O 3.53Å; W583-Q591 WeakPolarHBondContact CA-O 3.32Å; W583-F592 HydrophobicContact CD2-CB 4.44Å; W583-F592 HydrophobicContact CD2-CD2 4.19Å; W583-F592 AromaticContact CE2-CD2 3.76Å; W583-F592 HydrophobicContact CE3-CB 4Å; W583-F592 HydrophobicContact CH2-CB 4.03Å; W583-F592 HydrophobicContact CH2-CD2 4.16Å; W583-F592 HydrophobicContact CZ2-CB 4.45Å; W583-F592 AromaticContact CZ2-CD2 3.75Å; W583-F592 HydrophobicContact CZ2-CD2 3.75Å; W583-F592 HydrophobicContact CZ3-CB 3.79Å
584	N	94.3	Very high	91.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.4	171.2	176.5	20.9	0	0	0	108.4	E535 V537 N538 R586 D590 Q591 L593	E535-N584 PolarHBondContact OE1-ND2 3.46Å; V537-N584 HydrophobicContact CG1-CB 4.47Å; N538-N584 PolarHBondContact N-OD1 3.16Å; N584-R586 PolarHBondContact O-N 3.06Å; N584-D590 WeakPolarHBondContact O-CA 3.49Å; N584-Q591 HydrophobicContact CB-CB 4.2Å; N584-Q591 PolarHBondContact N-O 3.39Å; N584-Q591 PolarHBondContact ND2-OE1 3.49Å; N584-Q591 VanDerWaalsContact ND2-OE1 3.17Å; N584-Q591 PolarHBondContact O-N 3.23Å; N584-L593 HydrophobicContact CB-CD1 3.9Å; N584-L593 HydrophobicContact CB-CD2 4.04Å; N584-L593 HydrophobicContact CB-CG 3.92Å
585	S	93.3	Very high	91.7	Very high	38 Å²	38	52.2 Å²	52.2	27%	0.266	26%	0.258	S	S	.	.			trans	-73.1	124.4	-179.5	-170.8	0	0	0	0	111	N538 D590	N538-S585 PolarHBondContact O-N 2.55Å; S585-D590 WeakPolarHBondContact CA-OD1 3.28Å
586	R	89.3	Confident	92.1	Very high	84 Å²	84	46.1 Å²	46.1	32%	0.317	23%	0.225	S	C	.	.			trans	-131.1	158.3	-175.5	-68.9	177.4	169	-149.8	0.4	110.8	E535 N584 F588 C589 D590	E535-R586 IonicContact OE1-CZ 3Å; E535-R586 VanDerWaalsContact OE1-CZ 3.3Å; E535-R586 IonicContact OE1-NE 2.77Å; E535-R586 PolarHBondContact OE1-NE 3.13Å; E535-R586 IonicContact OE1-NH2 3.21Å; E535-R586 PolarHBondContact OE1-NH2 3.49Å; E535-R586 IonicContact OE2-NH2 3.32Å; N584-R586 PolarHBondContact O-N 3.06Å; R586-F588 VanDerWaalsContact C-N 3.27Å; R586-F588 PolarHBondContact O-N 2.84Å; R586-C589 WeakPolarHBondContact CB-O 3.47Å; R586-C589 WeakPolarHBondContact CD-O 3.06Å; R586-D590 PolarHBondContact N-OD1 3.3Å
587	K	83.6	Confident	92.4	Very high	195 Å²	195	44.3 Å²	44.3	85%	0.848	22%	0.218	S	C	*	.	S	Bend	trans	-59.7	-31.5	-175.6	-165.6	175.5	-178.3	179.3	0	114.5
588	F	83.3	Confident	92.4	Very high	196 Å²	196	43.5 Å²	43.5	86%	0.86	21%	0.211	S	C	*	.	S	Bend	trans	-113.2	-51	-175.7	-62.2	-73.3	0	0	0	113.3	R586	R586-F588 VanDerWaalsContact C-N 3.27Å; R586-F588 PolarHBondContact O-N 2.84Å
589	C	85.8	Confident	92	Very high	99 Å²	99	48.5 Å²	48.5	67%	0.669	24%	0.238	S	C	*	.	S	Bend	trans	-148.3	124	-177.8	-174.5	0	0	0	0	109.6	R586	R586-C589 WeakPolarHBondContact CB-O 3.47Å; R586-C589 WeakPolarHBondContact CD-O 3.06Å
590	D	91.9	Very high	91.7	Very high	51 Å²	51	46.4 Å²	46.4	27%	0.273	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-64.1	140	179.9	-69.5	-10.8	0	0	0	111	Y540 W583 N584 S585 R586	Y540-D590 HydrophobicContact CE1-CB 4.39Å; Y540-D590 WeakPolarHBondContact CE1-OD2 3.49Å; Y540-D590 VanDerWaalsContact CZ-OD2 3.3Å; Y540-D590 PolarHBondContact OH-OD2 2.98Å; W583-D590 HydrophobicContact CE3-CB 4.11Å; N584-D590 WeakPolarHBondContact O-CA 3.49Å; S585-D590 WeakPolarHBondContact CA-OD1 3.28Å; R586-D590 PolarHBondContact N-OD1 3.3Å
591	Q	91.9	Very high	91.3	Very high	35 Å²	35	49.2 Å²	49.2	16%	0.164	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.9	-178	172.5	-164.4	12.7	0	0	109.9	E535 W583 N584 L593	E535-Q591 PolarHBondContact OE1-OE1 2.97Å; W583-Q591 CarbonylContact C-O 3.53Å; W583-Q591 WeakPolarHBondContact CA-O 3.32Å; N584-Q591 HydrophobicContact CB-CB 4.2Å; N584-Q591 PolarHBondContact N-O 3.39Å; N584-Q591 PolarHBondContact ND2-OE1 3.49Å; N584-Q591 VanDerWaalsContact ND2-OE1 3.17Å; N584-Q591 PolarHBondContact O-N 3.23Å; Q591-L593 HydrophobicContact CG-CD2 4.37Å; Q591-L593 PolarHBondContact O-N 3.13Å
592	F	93.5	Very high	90.8	Very high	37 Å²	37	50 Å²	50	16%	0.162	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	118.8	171.6	-179.5	-104.1	0	0	0	110.7	Q581 W583 G594 Q595 K616	Q581-F592 HydrophobicContact CB-CE2 4.13Å; Q581-F592 HydrophobicContact CG-CE2 4.24Å; W583-F592 HydrophobicContact CD2-CB 4.44Å; W583-F592 HydrophobicContact CD2-CD2 4.19Å; W583-F592 AromaticContact CE2-CD2 3.76Å; W583-F592 HydrophobicContact CE3-CB 4Å; W583-F592 HydrophobicContact CH2-CB 4.03Å; W583-F592 HydrophobicContact CH2-CD2 4.16Å; W583-F592 HydrophobicContact CZ2-CB 4.45Å; W583-F592 AromaticContact CZ2-CD2 3.75Å; W583-F592 HydrophobicContact CZ2-CD2 3.75Å; W583-F592 HydrophobicContact CZ3-CB 3.79Å; F592-G594 WeakPolarHBondContact CE2-O 3.16Å; F592-G594 WeakPolarHBondContact CZ-O 3.26Å; F592-Q595 HydrophobicContact CE2-CB 4.12Å; F592-Q595 HydrophobicContact CZ-CB 3.8Å; F592-Q595 HydrophobicContact CZ-CG 3.96Å; F592-K616 HydrophobicContact CE1-CG 3.93Å; F592-K616 HydrophobicContact CE2-CG 4.46Å; F592-K616 HydrophobicContact CZ-CG 3.86Å
593	L	92.3	Very high	90.3	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-40.1	177.9	-64.8	-179	0	0	0	111.3	L528 V537 P539 V582 N584 Q591 K624	L528-L593 HydrophobicContact CB-CD1 4.28Å; L528-L593 HydrophobicContact CD1-CD1 4.06Å; L528-L593 HydrophobicContact CD2-CD1 4.31Å; L528-L593 HydrophobicContact CG-CD1 4.46Å; V537-L593 HydrophobicContact CG1-CD1 4.21Å; P539-L593 HydrophobicContact CB-CD1 4.39Å; V582-L593 HydrophobicContact CB-CB 4.23Å; V582-L593 HydrophobicContact CG1-CB 4.26Å; V582-L593 HydrophobicContact CG1-CD1 4.01Å; V582-L593 WeakPolarHBondContact O-CB 3.23Å; V582-L593 PolarHBondContact O-N 2.98Å; N584-L593 HydrophobicContact CB-CD1 3.9Å; N584-L593 HydrophobicContact CB-CD2 4.04Å; N584-L593 HydrophobicContact CB-CG 3.92Å; Q591-L593 HydrophobicContact CG-CD2 4.37Å; Q591-L593 PolarHBondContact O-N 3.13Å; L593-K624 WeakPolarHBondContact O-CD 3.08Å; L593-K624 PolarHBondContact O-NZ 3.03Å
594	G	93.8	Very high	89.7	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.9	177.8	176.3	0	0	0	0	0	112.3	V582 F592 R614	V582-G594 PolarHBondContact N-O 3.08Å; V582-G594 PolarHBondContact O-N 3.08Å; F592-G594 WeakPolarHBondContact CE2-O 3.16Å; F592-G594 WeakPolarHBondContact CZ-O 3.26Å; G594-R614 CarbonylContact C-O 3.47Å; G594-R614 WeakPolarHBondContact CA-O 3.15Å
595	Q	95.4	Very high	89	Confident	14 Å²	14	58.9 Å²	58.9	7%	0.065	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	160.1	172	70.7	179.8	40.6	0	0	112.8	I579 V580 Q581 F592 R614	I579-Q595 HydrophobicContact CG2-CB 4.19Å; I579-Q595 HydrophobicContact CG2-CG 4.44Å; V580-Q595 CarbonylContact O-C 3.55Å; V580-Q595 WeakPolarHBondContact O-CA 3.06Å; V580-Q595 WeakPolarHBondContact O-CB 3.32Å; Q581-Q595 HydrophobicContact CB-CB 4.44Å; Q581-Q595 HydrophobicContact CG-CB 3.96Å; Q581-Q595 VanDerWaalsContact NE2-OE1 3.16Å; F592-Q595 HydrophobicContact CE2-CB 4.12Å; F592-Q595 HydrophobicContact CZ-CB 3.8Å; F592-Q595 HydrophobicContact CZ-CG 3.96Å; Q595-R614 PolarHBondContact N-O 3.16Å; Q595-R614 PolarHBondContact O-N 3.28Å
596	V	94.3	Very high	88.6	Confident	8 Å²	8	61.6 Å²	61.6	5%	0.048	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	143.3	165.9	178.4	0	0	0	0	107.9	I579 V580 L598 L611 L613 I628 F630	I579-V596 WeakPolarHBondContact CA-O 3.16Å; V580-V596 PolarHBondContact N-O 3.29Å; V580-V596 PolarHBondContact O-N 2.88Å; V596-L598 HydrophobicContact CG1-CD2 3.6Å; V596-L598 HydrophobicContact CG1-CG 4.02Å; V596-L611 HydrophobicContact CG1-CB 4.07Å; V596-L611 HydrophobicContact CG1-CD1 3.57Å; V596-L611 HydrophobicContact CG1-CG 4.45Å; V596-L611 HydrophobicContact CG2-CB 4.2Å; V596-L613 HydrophobicContact CG2-CD2 4.38Å; V596-I628 HydrophobicContact CG2-CB 4.41Å; V596-I628 HydrophobicContact CG2-CD1 3.94Å; V596-I628 HydrophobicContact CG2-CG1 4.34Å; V596-F630 HydrophobicContact CG1-CE1 4.26Å
597	T	92.8	Very high	88.5	Confident	30 Å²	30	62.9 Å²	62.9	18%	0.184	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.7	178.5	-57.6	0	0	0	0	107.7	P577 I578 I579	P577-T597 HydrophobicContact CB-CG2 3.53Å; P577-T597 HydrophobicContact CG-CG2 3.83Å; I578-T597 WeakPolarHBondContact O-CA 3.05Å; I579-T597 HydrophobicContact CG1-CG2 4.35Å
598	L	91.1	Very high	88.8	Confident	18 Å²	18	59 Å²	59	9%	0.094	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	126.4	-171.3	-54.2	172.6	0	0	0	108.7	I520 P577 I578 V580 V596 A600 L611 F630 V632	I520-L598 HydrophobicContact CD1-CD1 3.77Å; P577-L598 CarbonylContact C-O 3.56Å; P577-L598 VanDerWaalsContact CA-O 3.32Å; P577-L598 WeakPolarHBondContact CA-O 3.48Å; P577-L598 WeakPolarHBondContact CB-O 3.5Å; I578-L598 HydrophobicContact CB-CB 4.36Å; I578-L598 PolarHBondContact N-O 2.99Å; I578-L598 PolarHBondContact O-N 3.44Å; V580-L598 HydrophobicContact CG2-CD1 4.39Å; V596-L598 HydrophobicContact CG1-CD2 3.6Å; V596-L598 HydrophobicContact CG1-CG 4.02Å; L598-A600 VanDerWaalsContact C-N 3.29Å; L598-L611 HydrophobicContact CD2-CD1 3.73Å; L598-F630 HydrophobicContact CD1-CD2 3.9Å; L598-F630 HydrophobicContact CD1-CE1 4.39Å; L598-F630 HydrophobicContact CD1-CE2 3.51Å; L598-F630 HydrophobicContact CD1-CG 4.47Å; L598-F630 HydrophobicContact CD1-CZ 3.81Å; L598-F630 HydrophobicContact CD2-CE1 4.11Å; L598-F630 HydrophobicContact CD2-CE2 3.75Å; L598-F630 HydrophobicContact CD2-CZ 3.33Å; L598-F630 HydrophobicContact CG-CE2 4.29Å; L598-F630 HydrophobicContact CG-CZ 4.22Å; L598-V632 HydrophobicContact CD1-CG2 3.95Å
599	D	87	Confident	89.2	Confident	105 Å²	105	52.5 Å²	52.5	56%	0.561	29%	0.29	S	S	*	.			trans	-72.5	-32.4	173.8	-58.4	-31.1	0	0	0	110.3	R571	R571-D599 PolarHBondContact NH1-O 3.05Å
600	A	87.8	Confident	89.6	Confident	1 Å²	1	51 Å²	51	1%	0.008	28%	0.28	C	S	.	.			trans	54.4	56.8	176.6	0	0	0	0	0	111.1	T518 R571 I578 L598 D604 V632 S634	T518-A600 HydrophobicContact CG2-CB 3.78Å; R571-A600 PolarHBondContact NH2-O 2.85Å; I578-A600 HydrophobicContact CD1-CB 4.04Å; L598-A600 VanDerWaalsContact C-N 3.29Å; A600-D604 VanDerWaalsContact CA-OD2 3.31Å; A600-D604 WeakPolarHBondContact CA-OD2 3.18Å; A600-V632 HydrophobicContact CB-CG1 3.54Å; A600-S634 WeakPolarHBondContact O-CB 3.34Å; A600-S634 PolarHBondContact O-OG 2.78Å
601	D	87.5	Confident	89.6	Confident	58 Å²	58	52.1 Å²	52.1	31%	0.31	29%	0.285	S	S	.	.			trans	-71.7	144.8	178.9	-166.8	-88.2	0	0	0	110.2	S603 D604	D601-S603 PolarHBondContact O-N 3.46Å; D601-S603 VanDerWaalsContact O-N 3.14Å; D601-S603 VanDerWaalsContact OD1-CB 3.3Å; D601-S603 WeakPolarHBondContact OD1-CB 3.42Å; D601-S603 PolarHBondContact OD1-N 3.07Å; D601-S603 PolarHBondContact OD1-OG 3.37Å; D601-D604 PolarHBondContact N-OD2 3.3Å; D601-D604 WeakPolarHBondContact O-CB 3.13Å; D601-D604 PolarHBondContact O-N 3.06Å
602	P	86.2	Confident	89.7	Confident	33 Å²	33	57.9 Å²	57.9	21%	0.214	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-27	173.8	-25	33.1	0	0	0	114.3	V516 D604 D636	V516-P602 HydrophobicContact CG1-CG 4.17Å; P602-D604 VanDerWaalsContact C-N 3.3Å; P602-D636 VanDerWaalsContact CG-OD1 3.23Å; P602-D636 WeakPolarHBondContact CG-OD1 3.46Å
603	S	85.1	Confident	89.7	Confident	102 Å²	102	56.1 Å²	56.1	71%	0.713	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.9	175.5	66.1	0	0	0	0	114.2	D601	D601-S603 PolarHBondContact O-N 3.46Å; D601-S603 VanDerWaalsContact O-N 3.14Å; D601-S603 VanDerWaalsContact OD1-CB 3.3Å; D601-S603 WeakPolarHBondContact OD1-CB 3.42Å; D601-S603 PolarHBondContact OD1-N 3.07Å; D601-S603 PolarHBondContact OD1-OG 3.37Å
604	D	84.3	Confident	89.8	Confident	62 Å²	62	60.2 Å²	60.2	33%	0.332	31%	0.314	S	S	.	.	S	Bend	trans	-62.5	140	179.6	-80.4	-30.5	0	0	0	111.4	A600 D601 P602 R606	A600-D604 VanDerWaalsContact CA-OD2 3.31Å; A600-D604 WeakPolarHBondContact CA-OD2 3.18Å; D601-D604 PolarHBondContact N-OD2 3.3Å; D601-D604 WeakPolarHBondContact O-CB 3.13Å; D601-D604 PolarHBondContact O-N 3.06Å; P602-D604 VanDerWaalsContact C-N 3.3Å; D604-R606 PolarHBondContact O-N 3.32Å
605	C	79.7	Confident	89.6	Confident	69 Å²	69	65.3 Å²	65.3	47%	0.466	34%	0.336	S	S	.	.			trans	-56.8	133.7	172.6	-176.2	0	0	0	0	110.8	D607 K609	C605-D607 VanDerWaalsContact C-N 3.25Å; C605-D607 PolarHBondContact O-N 3.13Å; C605-D607 PolarHBondContact SG-N 3.08Å; C605-D607 PolarHBondContact SG-OD2 3.48Å; C605-K609 WeakPolarHBondContact O-CE 3.31Å; C605-K609 PolarHBondContact O-NZ 3.36Å
606	R	84.6	Confident	89.1	Confident	94 Å²	94	71 Å²	71	36%	0.355	36%	0.361	S	S	.	.			trans	-80.8	2	-177.8	-59.8	-175.7	-177.9	-159.9	-1.7	113.3	D604 K631 I633 E640	D604-R606 PolarHBondContact O-N 3.32Å; R606-K631 WeakPolarHBondContact O-CE 3.32Å; R606-K631 WeakPolarHBondContact O-CG 3.48Å; R606-I633 HydrophobicContact CB-CG1 4.38Å; R606-I633 HydrophobicContact CG-CG1 4.35Å; R606-I633 HydrophobicContact CG-CG2 4.39Å; R606-E640 IonicContact CZ-OE1 3.38Å; R606-E640 IonicContact NH1-OE1 3.26Å; R606-E640 PolarHBondContact NH1-OE1 3.17Å; R606-E640 VanDerWaalsContact NH1-OE1 3.11Å; R606-E640 IonicContact NH2-OE1 2.89Å; R606-E640 PolarHBondContact NH2-OE1 3.39Å
607	D	87	Confident	88.2	Confident	112 Å²	112	73.6 Å²	73.6	60%	0.599	39%	0.39	S	S	*	.	S	Bend	trans	-72.2	165.4	-178.8	-68.4	-27.3	0	0	0	113.5	C605 K609	C605-D607 VanDerWaalsContact C-N 3.25Å; C605-D607 PolarHBondContact O-N 3.13Å; C605-D607 PolarHBondContact SG-N 3.08Å; C605-D607 PolarHBondContact SG-OD2 3.48Å; D607-K609 PolarHBondContact O-N 3.14Å
608	L	89.6	Confident	87.4	Confident	112 Å²	112	73 Å²	73	59%	0.586	39%	0.389	S	S	*	.			trans	-63.8	125.1	172	-176.8	69.8	0	0	0	109.9	H523	H523-L608 WeakPolarHBondContact CD2-CD1 3.39Å
609	K	92.3	Very high	86.4	Confident	61 Å²	61	76 Å²	76	27%	0.265	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	147.5	178.6	-64.3	175	-171	171.7	0	109.9	C605 D607 S629 F630	C605-K609 WeakPolarHBondContact O-CE 3.31Å; C605-K609 PolarHBondContact O-NZ 3.36Å; D607-K609 PolarHBondContact O-N 3.14Å; K609-S629 CarbonylContact O-C 3.5Å; K609-S629 WeakPolarHBondContact O-CA 3.41Å; K609-F630 HydrophobicContact CB-CE1 4.33Å; K609-F630 HydrophobicContact CB-CE2 3.97Å; K609-F630 HydrophobicContact CB-CZ 3.84Å; K609-F630 HydrophobicContact CD-CE2 4.25Å; K609-F630 HydrophobicContact CD-CZ 4.47Å; K609-F630 PolarHBondContact N-O 3.14Å; K609-F630 PolarHBondContact O-N 2.97Å
610	S	93.1	Very high	86	Confident	66 Å²	66	77.3 Å²	77.3	46%	0.462	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	126.9	171.6	-178.1	0	0	0	0	109.7	H627 I628	S610-H627 PolarHBondContact OG-CD2 3.44Å; S610-H627 VanDerWaalsContact OG-CD2 3.22Å; S610-I628 CarbonylContact C-O 3.44Å; S610-I628 VanDerWaalsContact CA-O 3.28Å; S610-I628 WeakPolarHBondContact CA-O 3.16Å
611	L	93.3	Very high	85.8	Confident	75 Å²	75	78 Å²	78	39%	0.393	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	140.1	-179.8	-66	-179.8	0	0	0	111.5	V596 L598 H627 I628 F630	V596-L611 HydrophobicContact CG1-CB 4.07Å; V596-L611 HydrophobicContact CG1-CD1 3.57Å; V596-L611 HydrophobicContact CG1-CG 4.45Å; V596-L611 HydrophobicContact CG2-CB 4.2Å; L598-L611 HydrophobicContact CD2-CD1 3.73Å; L611-H627 CarbonylContact O-C 3.52Å; L611-H627 VanDerWaalsContact O-CA 3.3Å; L611-H627 WeakPolarHBondContact O-CA 3.44Å; L611-I628 PolarHBondContact N-O 2.9Å; L611-I628 PolarHBondContact O-N 3.17Å; L611-F630 HydrophobicContact CB-CE1 4.08Å; L611-F630 HydrophobicContact CD1-CE1 3.73Å; L611-F630 HydrophobicContact CD1-CZ 3.6Å; L611-F630 HydrophobicContact CG-CE1 3.81Å; L611-F630 HydrophobicContact CG-CZ 4.02Å
612	Y	94.1	Very high	85.7	Confident	157 Å²	157	82.7 Å²	82.7	62%	0.616	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	142.4	173.8	-67.7	-77.2	0	0	0	112.2	V623 H627	Y612-V623 HydrophobicContact CG-CG1 4.28Å; Y612-H627 HydrophobicContact CD1-CB 4.17Å
613	L	93.3	Very high	85.7	Confident	0 Å²	0	84.4 Å²	84.4	0%	0	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	145.4	173.4	-70.9	177.6	0	0	0	111.1	L528 V582 V596 K624 G626 I628	L528-L613 HydrophobicContact CD2-CD1 3.61Å; V582-L613 HydrophobicContact CB-CD2 4.47Å; V582-L613 HydrophobicContact CG2-CD1 4.4Å; V582-L613 HydrophobicContact CG2-CD2 3.71Å; V596-L613 HydrophobicContact CG2-CD2 4.38Å; L613-K624 HydrophobicContact CB-CB 4.22Å; L613-K624 PolarHBondContact O-N 3.4Å; L613-G626 PolarHBondContact N-O 3.19Å; L613-I628 HydrophobicContact CD2-CD1 3.56Å; L613-I628 HydrophobicContact CD2-CG1 3.6Å; L613-I628 HydrophobicContact CG-CG1 4.34Å
614	R	93	Very high	85.8	Confident	87 Å²	87	81.5 Å²	81.5	33%	0.328	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	161.5	177	-63.1	-179.4	179.5	-97.3	4.5	112.1	G594 Q595 P619 A621	G594-R614 CarbonylContact C-O 3.47Å; G594-R614 WeakPolarHBondContact CA-O 3.15Å; Q595-R614 PolarHBondContact N-O 3.16Å; Q595-R614 PolarHBondContact O-N 3.28Å; R614-P619 VanDerWaalsContact CD-O 3.3Å; R614-P619 WeakPolarHBondContact CD-O 3.39Å; R614-P619 PolarHBondContact NE-O 3.27Å; R614-P619 PolarHBondContact NH1-O 3.38Å; R614-P619 VanDerWaalsContact NH1-O 3.1Å; R614-A621 HydrophobicContact CB-CB 4.31Å; R614-A621 PolarHBondContact NH1-O 3.07Å
615	K	89.9	Confident	86.1	Confident	107 Å²	107	84.2 Å²	84.2	47%	0.465	44%	0.44	S	S	.	.			trans	-64.5	166.1	167.7	-70.6	-168.2	178.1	-173.8	0	111.1	A621 K622 K624	K615-A621 HydrophobicContact CB-CB 4.36Å; K615-A621 VanDerWaalsContact O-CB 3.26Å; K615-A621 WeakPolarHBondContact O-CB 3.49Å; K615-K622 HydrophobicContact CD-CB 4.43Å; K615-K622 PolarHBondContact N-O 2.94Å; K615-K624 HydrophobicContact CG-CD 4.4Å; K615-K624 HydrophobicContact CG-CG 4.16Å
616	K	85.9	Confident	86.6	Confident	133 Å²	133	81.1 Å²	81.1	58%	0.578	42%	0.42	S	S	*	.	S	Bend	trans	-59.5	140.2	168.7	-65.6	-175.9	178.7	179.9	0	109.4	F592	F592-K616 HydrophobicContact CE1-CG 3.93Å; F592-K616 HydrophobicContact CE2-CG 4.46Å; F592-K616 HydrophobicContact CZ-CG 3.86Å
617	G	75.1	Confident	87.1	Confident	64 Å²	64	78.2 Å²	78.2	66%	0.66	41%	0.41	S	S	*	.	S	Bend	trans	130.2	4.4	-178.8	0	0	0	0	0	115.5
618	G	74.8	Confident	87.5	Confident	16 Å²	16	72.9 Å²	72.9	17%	0.165	38%	0.382	C	S	.	.	S	Bend	trans	93.4	-166.2	173.9	0	0	0	0	0	114.5	T620 A621	G618-T620 VanDerWaalsContact C-N 3.27Å; G618-T620 PolarHBondContact O-N 3.33Å; G618-A621 VanDerWaalsContact O-CB 3.25Å; G618-A621 WeakPolarHBondContact O-CB 3.35Å; G618-A621 PolarHBondContact O-N 3.4Å; G618-A621 VanDerWaalsContact O-N 3.12Å
619	P	71.4	Confident	87.8	Confident	82 Å²	82	68.3 Å²	68.3	53%	0.532	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.3	-170.8	-23.6	33.6	0	0	0	114.7	R614	R614-P619 VanDerWaalsContact CD-O 3.3Å; R614-P619 WeakPolarHBondContact CD-O 3.39Å; R614-P619 PolarHBondContact NE-O 3.27Å; R614-P619 PolarHBondContact NH1-O 3.38Å; R614-P619 VanDerWaalsContact NH1-O 3.1Å
620	T	78.9	Confident	87.9	Confident	133 Å²	133	65.6 Å²	65.6	82%	0.816	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-3.4	-179.8	56.1	0	0	0	0	113.3	G618	G618-T620 VanDerWaalsContact C-N 3.27Å; G618-T620 PolarHBondContact O-N 3.33Å
621	A	82.6	Confident	87.9	Confident	14 Å²	14	65.3 Å²	65.3	12%	0.116	34%	0.338	C	S	.	.	S	Bend	trans	-65.4	152.3	179.9	0	0	0	0	0	112	R614 K615 G618 V623	R614-A621 HydrophobicContact CB-CB 4.31Å; R614-A621 PolarHBondContact NH1-O 3.07Å; K615-A621 HydrophobicContact CB-CB 4.36Å; K615-A621 VanDerWaalsContact O-CB 3.26Å; K615-A621 WeakPolarHBondContact O-CB 3.49Å; G618-A621 VanDerWaalsContact O-CB 3.25Å; G618-A621 WeakPolarHBondContact O-CB 3.35Å; G618-A621 PolarHBondContact O-N 3.4Å; G618-A621 VanDerWaalsContact O-N 3.12Å; A621-V623 PolarHBondContact O-N 3.29Å
622	K	85.3	Confident	87.9	Confident	157 Å²	157	62 Å²	62	68%	0.683	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-54.3	128.3	-178.4	-170.7	174.2	-179.3	174.7	0	110.7	K615	K615-K622 HydrophobicContact CD-CB 4.43Å; K615-K622 PolarHBondContact N-O 2.94Å
623	V	87.1	Confident	87.8	Confident	70 Å²	70	54.7 Å²	54.7	42%	0.424	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	139.5	175.1	-178.9	0	0	0	0	109.6	Y612 A621	Y612-V623 HydrophobicContact CG-CG1 4.28Å; A621-V623 PolarHBondContact O-N 3.29Å
624	K	87.7	Confident	87.8	Confident	40 Å²	40	55 Å²	55	17%	0.174	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	164.1	174.2	-89.5	-159.8	152.5	-137.4	0	109.9	E529 L593 L613 K615	E529-K624 IonicContact OE2-NZ 3.92Å; E529-K624 PolarHBondContact OE2-NZ 3.39Å; L593-K624 WeakPolarHBondContact O-CD 3.08Å; L593-K624 PolarHBondContact O-NZ 3.03Å; L613-K624 HydrophobicContact CB-CB 4.22Å; L613-K624 PolarHBondContact O-N 3.4Å; K615-K624 HydrophobicContact CG-CD 4.4Å; K615-K624 HydrophobicContact CG-CG 4.16Å
625	Q	88.9	Confident	87.8	Confident	120 Å²	120	51.2 Å²	51.2	56%	0.561	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	137.6	173.1	-163.4	-172.8	-13.9	0	0	110.1	D527 E529	D527-Q625 WeakPolarHBondContact O-CG 3.14Å; E529-Q625 HydrophobicContact CB-CB 4.22Å
626	G	91.6	Very high	87.9	Confident	4 Å²	4	51.5 Å²	51.5	4%	0.041	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	102.6	156.6	179.4	0	0	0	0	0	113.8	E526 D527 L613	E526-G626 CarbonylContact O-C 3.58Å; E526-G626 WeakPolarHBondContact O-CA 3.48Å; D527-G626 VanDerWaalsContact O-CA 3.24Å; D527-G626 WeakPolarHBondContact O-CA 3.31Å; D527-G626 PolarHBondContact O-N 3.31Å; L613-G626 PolarHBondContact N-O 3.19Å
627	H	93.9	Very high	88.1	Confident	33 Å²	33	49 Å²	49	15%	0.153	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	155.7	179.8	63.3	-87.5	0	0	0	110.7	A525 E526 D527 S610 L611 Y612	A525-H627 CarbonylContact C-O 3.55Å; A525-H627 VanDerWaalsContact CA-O 3.27Å; A525-H627 WeakPolarHBondContact CA-O 3.27Å; E526-H627 VanDerWaalsContact CB-CE1 3.49Å; E526-H627 WeakPolarHBondContact CB-CE1 3.5Å; E526-H627 PolarHBondContact N-O 2.89Å; E526-H627 PolarHBondContact O-N 3.15Å; E526-H627 IonicContact OE2-CE1 2.82Å; E526-H627 IonicContact OE2-NE2 3.82Å; D527-H627 IonicContact OD2-CE1 3.13Å; D527-H627 PolarHBondContact OD2-CE1 2.7Å; D527-H627 IonicContact OD2-ND1 2.76Å; S610-H627 PolarHBondContact OG-CD2 3.44Å; S610-H627 VanDerWaalsContact OG-CD2 3.22Å; L611-H627 CarbonylContact O-C 3.52Å; L611-H627 VanDerWaalsContact O-CA 3.3Å; L611-H627 WeakPolarHBondContact O-CA 3.44Å; Y612-H627 HydrophobicContact CD1-CB 4.17Å
628	I	95.6	Very high	88.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.6	177	-60.9	-177.6	0	0	0	109.1	V522 S524 A525 V580 V582 V596 S610 L611 L613 F630	V522-I628 HydrophobicContact CG1-CG2 3.49Å; V522-I628 VanDerWaalsContact CG1-CG2 3.49Å; S524-I628 WeakPolarHBondContact O-CA 3.34Å; S524-I628 WeakPolarHBondContact O-CG2 3.43Å; A525-I628 HydrophobicContact CB-CG1 4.08Å; V580-I628 HydrophobicContact CB-CD1 4.4Å; V580-I628 HydrophobicContact CG1-CD1 3.78Å; V582-I628 HydrophobicContact CG2-CD1 3.44Å; V582-I628 VanDerWaalsContact CG2-CD1 3.44Å; V582-I628 HydrophobicContact CG2-CG1 3.97Å; V596-I628 HydrophobicContact CG2-CB 4.41Å; V596-I628 HydrophobicContact CG2-CD1 3.94Å; V596-I628 HydrophobicContact CG2-CG1 4.34Å; S610-I628 CarbonylContact C-O 3.44Å; S610-I628 VanDerWaalsContact CA-O 3.28Å; S610-I628 WeakPolarHBondContact CA-O 3.16Å; L611-I628 PolarHBondContact N-O 2.9Å; L611-I628 PolarHBondContact O-N 3.17Å; L613-I628 HydrophobicContact CD2-CD1 3.56Å; L613-I628 HydrophobicContact CD2-CG1 3.6Å; L613-I628 HydrophobicContact CG-CG1 4.34Å; I628-F630 HydrophobicContact CG2-CB 4.42Å; I628-F630 HydrophobicContact CG2-CD1 4.04Å
629	S	95.8	Very high	89.4	Confident	16 Å²	16	46.9 Å²	46.9	11%	0.112	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	126.1	169.2	-60.9	0	0	0	0	110.4	H523 S524 K609	H523-S629 PolarHBondContact N-O 2.83Å; S524-S629 PolarHBondContact N-O 3.02Å; S524-S629 PolarHBondContact O-N 2.93Å; S524-S629 WeakPolarHBondContact OG-CB 3.45Å; K609-S629 CarbonylContact O-C 3.5Å; K609-S629 WeakPolarHBondContact O-CA 3.41Å
630	F	94.3	Very high	90.1	Very high	3 Å²	3	44.6 Å²	44.6	1%	0.013	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	158.5	-176.3	65.6	-91.6	0	0	0	112.6	T521 V522 V596 L598 K609 L611 I628 V632	T521-F630 CarbonylContact O-C 3.47Å; T521-F630 WeakPolarHBondContact O-CA 3.42Å; T521-F630 WeakPolarHBondContact O-CB 3.5Å; V522-F630 HydrophobicContact CG2-CB 4.33Å; V596-F630 HydrophobicContact CG1-CE1 4.26Å; L598-F630 HydrophobicContact CD1-CD2 3.9Å; L598-F630 HydrophobicContact CD1-CE1 4.39Å; L598-F630 HydrophobicContact CD1-CE2 3.51Å; L598-F630 HydrophobicContact CD1-CG 4.47Å; L598-F630 HydrophobicContact CD1-CZ 3.81Å; L598-F630 HydrophobicContact CD2-CE1 4.11Å; L598-F630 HydrophobicContact CD2-CE2 3.75Å; L598-F630 HydrophobicContact CD2-CZ 3.33Å; L598-F630 HydrophobicContact CG-CE2 4.29Å; L598-F630 HydrophobicContact CG-CZ 4.22Å; K609-F630 HydrophobicContact CB-CE1 4.33Å; K609-F630 HydrophobicContact CB-CE2 3.97Å; K609-F630 HydrophobicContact CB-CZ 3.84Å; K609-F630 HydrophobicContact CD-CE2 4.25Å; K609-F630 HydrophobicContact CD-CZ 4.47Å; K609-F630 PolarHBondContact N-O 3.14Å; K609-F630 PolarHBondContact O-N 2.97Å; L611-F630 HydrophobicContact CB-CE1 4.08Å; L611-F630 HydrophobicContact CD1-CE1 3.73Å; L611-F630 HydrophobicContact CD1-CZ 3.6Å; L611-F630 HydrophobicContact CG-CE1 3.81Å; L611-F630 HydrophobicContact CG-CZ 4.02Å; I628-F630 HydrophobicContact CG2-CB 4.42Å; I628-F630 HydrophobicContact CG2-CD1 4.04Å; F630-V632 HydrophobicContact CD2-CG2 3.73Å; F630-V632 HydrophobicContact CE2-CG2 3.98Å
631	K	93.9	Very high	90.4	Very high	60 Å²	60	38.2 Å²	38.2	26%	0.261	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.8	171.4	-171.3	177.7	-176.2	-176.2	0	108.8	I441 I520 T521 R606	I441-K631 HydrophobicContact CG2-CD 3.88Å; I520-K631 WeakPolarHBondContact CA-O 3.5Å; T521-K631 PolarHBondContact N-O 3.28Å; T521-K631 PolarHBondContact O-N 3.46Å; R606-K631 WeakPolarHBondContact O-CE 3.32Å; R606-K631 WeakPolarHBondContact O-CG 3.48Å
632	V	93	Very high	90.8	Very high	6 Å²	6	39.5 Å²	39.5	4%	0.036	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.8	178.3	170.4	0	0	0	0	109.1	T518 Q519 I520 L598 A600 F630	T518-V632 HydrophobicContact CG2-CG1 3.85Å; Q519-V632 WeakPolarHBondContact O-CA 3.49Å; I520-V632 HydrophobicContact CB-CG2 3.91Å; I520-V632 HydrophobicContact CD1-CG2 3.65Å; I520-V632 HydrophobicContact CG1-CG2 3.57Å; L598-V632 HydrophobicContact CD1-CG2 3.95Å; A600-V632 HydrophobicContact CB-CG1 3.54Å; F630-V632 HydrophobicContact CD2-CG2 3.73Å; F630-V632 HydrophobicContact CE2-CG2 3.98Å
633	I	92.6	Very high	91	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.7	174.7	-53.3	178.2	0	0	0	107	Y440 I441 T518 Q519 R606 L641	Y440-I633 HydrophobicContact CG-CD1 4.47Å; I441-I633 HydrophobicContact CG2-CD1 3.51Å; T518-I633 CarbonylContact C-O 3.56Å; T518-I633 WeakPolarHBondContact CA-O 3.36Å; Q519-I633 PolarHBondContact N-O 3.01Å; Q519-I633 PolarHBondContact O-N 2.94Å; R606-I633 HydrophobicContact CB-CG1 4.38Å; R606-I633 HydrophobicContact CG-CG1 4.35Å; R606-I633 HydrophobicContact CG-CG2 4.39Å; I633-L641 HydrophobicContact CB-CD1 4.37Å; I633-L641 HydrophobicContact CB-CD2 4.39Å; I633-L641 HydrophobicContact CG2-CD1 4.11Å; I633-L641 HydrophobicContact CG2-CD2 3.67Å; I633-L641 VanDerWaalsContact O-CD1 3.3Å; I633-L641 WeakPolarHBondContact O-CD1 3.29Å
634	S	93	Very high	91.3	Very high	5 Å²	5	31.2 Å²	31.2	4%	0.035	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	147.3	174	-72.5	0	0	0	0	109.9	V517 T518 A600	V517-S634 CarbonylContact O-C 3.52Å; V517-S634 VanDerWaalsContact O-CA 3.26Å; V517-S634 WeakPolarHBondContact O-CA 3.31Å; T518-S634 WeakPolarHBondContact CB-OG 3.38Å; T518-S634 WeakPolarHBondContact CG2-OG 3.43Å; T518-S634 PolarHBondContact OG1-OG 3.3Å; A600-S634 WeakPolarHBondContact O-CB 3.34Å; A600-S634 PolarHBondContact O-OG 2.78Å
635	S	92.1	Very high	91.5	Very high	9 Å²	9	30.7 Å²	30.7	6%	0.063	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	147	174	-177.8	0	0	0	0	111.4	V516 V517 D637 E640	V516-S635 CarbonylContact C-O 3.49Å; V516-S635 VanDerWaalsContact CA-O 3.27Å; V516-S635 WeakPolarHBondContact CA-O 3.18Å; V516-S635 WeakPolarHBondContact CG1-O 3.44Å; V517-S635 PolarHBondContact N-O 3.37Å; V517-S635 PolarHBondContact O-N 2.74Å; S635-D637 VanDerWaalsContact C-N 3.3Å; S635-D637 PolarHBondContact OG-N 3.14Å; S635-D637 PolarHBondContact OG-O 3.36Å; S635-E640 WeakPolarHBondContact CB-OE2 3.35Å; S635-E640 PolarHBondContact OG-OE2 2.85Å
636	D	92.3	Very high	91.6	Very high	112 Å²	112	25.1 Å²	25.1	60%	0.599	13%	0.133	S	C	*	.	S	Bend	trans	-80.5	-14.1	170.1	-63.5	-26.1	0	0	0	112.2	P602	P602-D636 VanDerWaalsContact CG-OD1 3.23Å; P602-D636 WeakPolarHBondContact CG-OD1 3.46Å
637	D	90.5	Very high	91.6	Very high	81 Å²	81	26.5 Å²	26.5	43%	0.433	14%	0.139	S	C	.	.	S	Bend	trans	-88	109.8	167.9	-177.5	-10.5	0	0	0	109.3	V517 S635 T639 E640	V517-D637 VanDerWaalsContact CG1-O 3.24Å; V517-D637 WeakPolarHBondContact CG1-O 3.31Å; S635-D637 VanDerWaalsContact C-N 3.3Å; S635-D637 PolarHBondContact OG-N 3.14Å; S635-D637 PolarHBondContact OG-O 3.36Å; D637-T639 PolarHBondContact O-N 2.61Å; D637-T639 VanDerWaalsContact O-N 3.08Å; D637-T639 PolarHBondContact OD1-N 2.63Å; D637-T639 PolarHBondContact OD1-OG1 2.83Å; D637-T639 PolarHBondContact OD2-OG1 3.1Å; D637-E640 HydrophobicContact CB-CB 4.11Å; D637-E640 PolarHBondContact O-N 2.98Å
638	L	89.6	Confident	91.5	Very high	14 Å²	14	26.1 Å²	26.1	7%	0.073	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-13.8	-178.6	-60.2	-174.1	0	0	0	113.8	M501 Y513 P514 V517 Y570	M501-L638 HydrophobicContact CB-CB 4.23Å; M501-L638 HydrophobicContact SD-CB 4.28Å; M501-L638 HydrophobicContact SD-CD1 4.45Å; Y513-L638 HydrophobicContact CE1-CD1 3.63Å; P514-L638 HydrophobicContact CB-CD1 4.19Å; P514-L638 HydrophobicContact CB-CD2 4.3Å; V517-L638 HydrophobicContact CB-CD2 4.27Å; Y570-L638 HydrophobicContact CD1-CB 4.47Å; Y570-L638 HydrophobicContact CD1-CD2 4.2Å; Y570-L638 HydrophobicContact CE1-CB 4.26Å; Y570-L638 WeakPolarHBondContact CE1-O 3.43Å
639	T	87.8	Confident	91.2	Very high	22 Å²	22	28.1 Å²	28.1	14%	0.135	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-11.4	175.4	61.1	0	0	0	0	113.2	H437 D500 M501 D637 L641	H437-T639 WeakPolarHBondContact CB-O 3.48Å; H437-T639 PolarHBondContact CD2-O 2.77Å; H437-T639 VanDerWaalsContact CG-O 3.29Å; D500-T639 HydrophobicContact CB-CG2 4.3Å; M501-T639 HydrophobicContact CB-CG2 4.47Å; M501-T639 HydrophobicContact CE-CG2 3.23Å; M501-T639 HydrophobicContact SD-CG2 4.43Å; D637-T639 PolarHBondContact O-N 2.61Å; D637-T639 VanDerWaalsContact O-N 3.08Å; D637-T639 PolarHBondContact OD1-N 2.63Å; D637-T639 PolarHBondContact OD1-OG1 2.83Å; D637-T639 PolarHBondContact OD2-OG1 3.1Å; T639-L641 VanDerWaalsContact C-N 3.29Å; T639-L641 PolarHBondContact O-N 3.33Å
640	E	86.4	Confident	90.8	Very high	33 Å²	33	29.1 Å²	29.1	15%	0.154	15%	0.152	C	C	.	.			trans	-62.6	-32.4	-175.7	-174.7	179.1	158.9	0	0	112.7	H438 Y440 R606 S635 D637	H438-E640 WeakPolarHBondContact CB-O 3.37Å; H438-E640 PolarHBondContact CD2-O 2.92Å; Y440-E640 HydrophobicContact CE2-CG 3.77Å; Y440-E640 WeakPolarHBondContact CE2-O 3.45Å; Y440-E640 PolarHBondContact OH-OE1 3.44Å; R606-E640 IonicContact CZ-OE1 3.38Å; R606-E640 IonicContact NH1-OE1 3.26Å; R606-E640 PolarHBondContact NH1-OE1 3.17Å; R606-E640 VanDerWaalsContact NH1-OE1 3.11Å; R606-E640 IonicContact NH2-OE1 2.89Å; R606-E640 PolarHBondContact NH2-OE1 3.39Å; S635-E640 WeakPolarHBondContact CB-OE2 3.35Å; S635-E640 PolarHBondContact OG-OE2 2.85Å; D637-E640 HydrophobicContact CB-CB 4.11Å; D637-E640 PolarHBondContact O-N 2.98Å
641	L	83.8	Confident	90.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.			trans	-109.6	0	-167.3	-56.6	-176.3	0	0	0	116	R432 Y440 V517 Q519 I568 I633 T639	R432-L641 PolarHBondContact NH1-O 3.19Å; R432-L641 PolarHBondContact NH1-OXT 2.97Å; R432-L641 PolarHBondContact NH2-O 3.19Å; R432-L641 PolarHBondContact NH2-OXT 3Å; Y440-L641 HydrophobicContact CD2-CD2 3.69Å; Y440-L641 HydrophobicContact CE2-CD2 3.87Å; V517-L641 HydrophobicContact CG1-CB 4.03Å; V517-L641 HydrophobicContact CG1-CD1 3.89Å; V517-L641 HydrophobicContact CG1-CG 3.88Å; V517-L641 HydrophobicContact CG2-CB 4.05Å; V517-L641 HydrophobicContact CG2-CD1 4.35Å; Q519-L641 HydrophobicContact CB-CB 4.49Å; Q519-L641 HydrophobicContact CB-CD1 3.93Å; I568-L641 HydrophobicContact CD1-CB 4.32Å; I633-L641 HydrophobicContact CB-CD1 4.37Å; I633-L641 HydrophobicContact CB-CD2 4.39Å; I633-L641 HydrophobicContact CG2-CD1 4.11Å; I633-L641 HydrophobicContact CG2-CD2 3.67Å; I633-L641 VanDerWaalsContact O-CD1 3.3Å; I633-L641 WeakPolarHBondContact O-CD1 3.29Å; T639-L641 VanDerWaalsContact C-N 3.29Å; T639-L641 PolarHBondContact O-N 3.33Å

Retrieved 641 of 641 residues in 1016.1 ms (Link to these results)

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