A0A077Z2M9_TRITR Loading...

General transcription factor 3C polypeptide 2

AlphaFold DB , UniProt , Accession A0A077Z2M9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 720 aa.

Structure Viewer

Loading PAE data...

(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	32.9	Very low	33.7	Very low	248 Å²	248	185.9 Å²	185.9	100%	1.222	91%	0.911	S	S	*	*				0	166.5	0	-80.5	-178.7	168.3	0	0	110
2	R	34.4	Very low	34.1	Very low	258 Å²	258	182.8 Å²	182.8	97%	0.974	91%	0.91	S	S	*	*			trans	-72.7	151.6	-162.2	-70.1	177.2	172	-177.7	-2.9	113.9
3	G	30	Very low	34.6	Very low	80 Å²	80	173.6 Å²	173.6	83%	0.825	89%	0.89	S	S	*	*			trans	-72.3	-174.8	-167.7	0	0	0	0	0	118.1
4	S	36.3	Very low	35.1	Very low	127 Å²	127	178.6 Å²	178.6	89%	0.888	89%	0.892	S	S	*	*			trans	-146.6	158	149	-166.1	0	0	0	0	111.1
5	R	31.4	Very low	36.1	Very low	241 Å²	241	172.2 Å²	172.2	91%	0.909	87%	0.869	S	S	*	*			trans	-83.4	133.3	-163.7	-63.9	165.2	170	164	-5.8	112.1
6	R	36.5	Very low	37.2	Very low	248 Å²	248	167.9 Å²	167.9	94%	0.936	85%	0.854	S	S	*	*			trans	-104.3	106.5	154	-83.2	-172.1	173.1	-176.3	-1.4	109.6	R8	R6-R8 PolarHBondContact O-N 3.03Å
7	G	32	Very low	38.9	Very low	76 Å²	76	166.5 Å²	166.5	78%	0.784	85%	0.849	S	S	*	*			trans	-70	113.1	174.4	0	0	0	0	0	111.3	K9	G7-K9 PolarHBondContact O-N 3.42Å
8	R	34.3	Very low	40.8	Very low	247 Å²	247	160.4 Å²	160.4	93%	0.932	83%	0.828	S	S	*	*			trans	-69.3	115.1	164.7	-93.8	-179.7	166.4	171.4	-4.5	108.7	R6 R10	R6-R8 PolarHBondContact O-N 3.03Å; R8-R10 PolarHBondContact O-N 2.65Å
9	K	35.8	Very low	42.8	Very low	205 Å²	205	154.5 Å²	154.5	89%	0.891	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-56.8	126	163	-72.4	-174.9	173.4	-179.9	0	108	G7 G11	G7-K9 PolarHBondContact O-N 3.42Å; K9-G11 PolarHBondContact O-N 3.34Å
10	R	32.1	Very low	44.7	Very low	243 Å²	243	148.8 Å²	148.8	92%	0.917	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-65	121.7	173.1	-75.4	-180	171.4	176.6	-3.9	108.3	R8	R8-R10 PolarHBondContact O-N 2.65Å
11	G	35.4	Very low	46.5	Very low	72 Å²	72	145.7 Å²	145.7	74%	0.742	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-65.4	144.8	172.1	0	0	0	0	0	110.7	K9 G13	K9-G11 PolarHBondContact O-N 3.34Å; G11-G13 PolarHBondContact O-N 3.03Å
12	V	38.1	Very low	49.1	Very low	149 Å²	149	139 Å²	139	90%	0.903	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-61	125	177.9	178.8	0	0	0	0	109.4	R14	V12-R14 PolarHBondContact O-N 3.19Å
13	G	40.5	Very low	51.8	Low	63 Å²	63	133.4 Å²	133.4	65%	0.649	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-65.9	123.8	177.4	0	0	0	0	0	110.8	G11	G11-G13 PolarHBondContact O-N 3.03Å
14	R	42.4	Very low	54.8	Low	243 Å²	243	134.1 Å²	134.1	92%	0.917	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-63.9	126.6	170.2	-148.6	178.3	-166	-176.3	3.8	107.5	V12 T16	V12-R14 PolarHBondContact O-N 3.19Å; R14-T16 PolarHBondContact O-N 2.82Å
15	P	49.5	Very low	57.4	Low	83 Å²	83	128.4 Å²	128.4	54%	0.539	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-61.5	141.1	-179.2	24.8	-33.3	0	0	0	110.1	A19 V20	P15-A19 HydrophobicContact CB-CB 4.49Å; P15-V20 HydrophobicContact CB-CG2 3.9Å; P15-V20 HydrophobicContact CG-CG2 3.63Å
16	T	53.2	Low	60.3	Low	103 Å²	103	121.9 Å²	121.9	63%	0.632	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-61.9	145.8	175	50.4	0	0	0	0	109.8	R14 A18 A19 V20	R14-T16 PolarHBondContact O-N 2.82Å; T16-A18 PolarHBondContact O-N 2.96Å; T16-A19 PolarHBondContact O-N 3.14Å; T16-V20 PolarHBondContact O-N 3.28Å
17	N	67.5	Low	63.1	Low	144 Å²	144	113.8 Å²	113.8	77%	0.77	60%	0.602	S	S	*	*	H	α-helix	trans	-51.9	-34.8	-175.4	-82.8	-19.4	0	0	0	113.1	V20 E21	N17-V20 PolarHBondContact O-N 3.04Å; N17-E21 WeakPolarHBondContact O-CB 3Å; N17-E21 PolarHBondContact O-N 2.93Å
18	A	72.9	Confident	66.1	Low	58 Å²	58	110.3 Å²	110.3	48%	0.479	57%	0.566	S	S	.	*	H	α-helix	trans	-60	-44.2	175.8	0	0	0	0	0	113.2	T16 V20 E21 Q22	T16-A18 PolarHBondContact O-N 2.96Å; A18-V20 PolarHBondContact O-N 3Å; A18-E21 PolarHBondContact O-N 2.88Å; A18-E21 VanDerWaalsContact O-N 3.17Å; A18-Q22 PolarHBondContact O-N 3.41Å; A18-Q22 PolarHBondContact O-OE1 3.42Å
19	A	77.4	Confident	68.9	Low	48 Å²	48	101.1 Å²	101.1	40%	0.397	53%	0.532	S	S	.	.	H	α-helix	trans	-64.2	-42.1	-180	0	0	0	0	0	111.9	P15 T16 E21 Q22 E23	P15-A19 HydrophobicContact CB-CB 4.49Å; T16-A19 PolarHBondContact O-N 3.14Å; A19-E21 VanDerWaalsContact C-N 3.26Å; A19-E21 PolarHBondContact O-N 3.02Å; A19-Q22 WeakPolarHBondContact O-CB 3.4Å; A19-Q22 PolarHBondContact O-N 3.19Å; A19-E23 PolarHBondContact O-N 3.29Å
20	V	81.1	Confident	71.7	Confident	39 Å²	39	99.6 Å²	99.6	24%	0.236	52%	0.521	C	S	.	.	H	α-helix	trans	-66.6	-29.1	175.9	-177.7	0	0	0	0	111.8	P15 T16 N17 A18 K24	P15-V20 HydrophobicContact CB-CG2 3.9Å; P15-V20 HydrophobicContact CG-CG2 3.63Å; T16-V20 PolarHBondContact O-N 3.28Å; N17-V20 PolarHBondContact O-N 3.04Å; A18-V20 PolarHBondContact O-N 3Å; V20-K24 WeakPolarHBondContact O-CD 3.3Å; V20-K24 VanDerWaalsContact O-CG 3.3Å; V20-K24 WeakPolarHBondContact O-CG 3.44Å; V20-K24 PolarHBondContact O-N 3.17Å
21	E	83.1	Confident	74.7	Confident	85 Å²	85	89.9 Å²	89.9	40%	0.397	49%	0.487	S	S	.	.	H	α-helix	trans	-78.4	-39	175.8	-168.3	154.4	-140.5	0	0	111.8	N17 A18 A19 K24 I25 R59	N17-E21 WeakPolarHBondContact O-CB 3Å; N17-E21 PolarHBondContact O-N 2.93Å; A18-E21 PolarHBondContact O-N 2.88Å; A18-E21 VanDerWaalsContact O-N 3.17Å; A19-E21 VanDerWaalsContact C-N 3.26Å; A19-E21 PolarHBondContact O-N 3.02Å; E21-K24 PolarHBondContact O-N 3.43Å; E21-I25 WeakPolarHBondContact O-CG1 3.5Å; E21-I25 PolarHBondContact O-N 3.35Å; E21-R59 IonicContact OE1-CZ 3.02Å; E21-R59 IonicContact OE1-NH1 3.22Å; E21-R59 PolarHBondContact OE1-NH1 2.95Å; E21-R59 IonicContact OE1-NH2 3.43Å
22	Q	87.8	Confident	77.5	Confident	108 Å²	108	86.7 Å²	86.7	51%	0.505	45%	0.453	S	S	.	.	H	α-helix	trans	-57.1	-49.1	170.9	-131.3	94.8	0.2	0	0	111.3	A18 A19 K24 I25 E26	A18-Q22 PolarHBondContact O-N 3.41Å; A18-Q22 PolarHBondContact O-OE1 3.42Å; A19-Q22 WeakPolarHBondContact O-CB 3.4Å; A19-Q22 PolarHBondContact O-N 3.19Å; Q22-K24 VanDerWaalsContact C-N 3.32Å; Q22-K24 PolarHBondContact O-N 3.17Å; Q22-I25 PolarHBondContact O-N 2.96Å; Q22-I25 VanDerWaalsContact O-N 3.09Å; Q22-E26 PolarHBondContact O-N 3.19Å
23	E	90.7	Very high	80.1	Confident	139 Å²	139	84.5 Å²	84.5	65%	0.65	43%	0.433	S	S	*	.	H	α-helix	trans	-57.6	-42.7	-179.9	-174.7	178.5	-164.2	0	0	111.9	A19 I25 E26 E27	A19-E23 PolarHBondContact O-N 3.29Å; E23-I25 VanDerWaalsContact C-N 3.34Å; E23-I25 PolarHBondContact O-N 3.26Å; E23-E26 PolarHBondContact O-N 2.95Å; E23-E27 WeakPolarHBondContact O-CB 3.34Å; E23-E27 PolarHBondContact O-N 3.17Å
24	K	92.6	Very high	82.6	Confident	96 Å²	96	85 Å²	85	42%	0.417	43%	0.426	S	S	.	.	H	α-helix	trans	-66.3	-32.5	176.5	-71.8	167	-173.9	168.5	0	113.4	V20 E21 Q22 A28 L56	V20-K24 WeakPolarHBondContact O-CD 3.3Å; V20-K24 VanDerWaalsContact O-CG 3.3Å; V20-K24 WeakPolarHBondContact O-CG 3.44Å; V20-K24 PolarHBondContact O-N 3.17Å; E21-K24 PolarHBondContact O-N 3.43Å; Q22-K24 VanDerWaalsContact C-N 3.32Å; Q22-K24 PolarHBondContact O-N 3.17Å; K24-A28 WeakPolarHBondContact O-CB 3.43Å; K24-A28 PolarHBondContact O-N 2.91Å; K24-A28 VanDerWaalsContact O-N 3.11Å; K24-L56 HydrophobicContact CB-CD1 4.32Å; K24-L56 HydrophobicContact CB-CD2 4.36Å
25	I	92.2	Very high	85.1	Confident	7 Å²	7	74.8 Å²	74.8	4%	0.036	39%	0.389	C	S	.	.	H	α-helix	trans	-72.2	-41	176.2	-66	167.9	0	0	0	109.9	E21 Q22 E23 A28 K29 L56 R59 Q60	E21-I25 WeakPolarHBondContact O-CG1 3.5Å; E21-I25 PolarHBondContact O-N 3.35Å; Q22-I25 PolarHBondContact O-N 2.96Å; Q22-I25 VanDerWaalsContact O-N 3.09Å; E23-I25 VanDerWaalsContact C-N 3.34Å; E23-I25 PolarHBondContact O-N 3.26Å; I25-A28 WeakPolarHBondContact O-CB 3.26Å; I25-A28 PolarHBondContact O-N 3.48Å; I25-K29 PolarHBondContact O-N 2.92Å; I25-L56 HydrophobicContact CG1-CD2 4.43Å; I25-R59 HydrophobicContact CD1-CB 4.46Å; I25-Q60 HydrophobicContact CD1-CG 4.09Å; I25-Q60 HydrophobicContact CG2-CB 4.39Å; I25-Q60 HydrophobicContact CG2-CG 4.41Å
26	E	92.4	Very high	87.2	Confident	104 Å²	104	75.9 Å²	75.9	49%	0.486	38%	0.382	S	S	.	.	H	α-helix	trans	-69.9	-38.5	178.2	-146.2	59.6	-145.9	0	0	112.1	Q22 E23 A28 K29 R30	Q22-E26 PolarHBondContact O-N 3.19Å; E23-E26 PolarHBondContact O-N 2.95Å; E26-A28 VanDerWaalsContact C-N 3.32Å; E26-A28 PolarHBondContact O-N 3.28Å; E26-K29 PolarHBondContact O-N 3.15Å; E26-K29 WeakPolarHBondContact OE1-CD 3.25Å; E26-K29 IonicContact OE1-NZ 3.52Å; E26-K29 IonicContact OE2-NZ 2.68Å; E26-K29 PolarHBondContact OE2-NZ 2.9Å; E26-R30 WeakPolarHBondContact O-CB 3.38Å; E26-R30 PolarHBondContact O-N 2.81Å
27	E	94.3	Very high	89	Confident	78 Å²	78	74.6 Å²	74.6	36%	0.364	37%	0.371	S	S	.	.	H	α-helix	trans	-58.1	-44.4	169.2	-177.4	177.7	-138.1	0	0	111.5	E23 R30 I31	E23-E27 WeakPolarHBondContact O-CB 3.34Å; E23-E27 PolarHBondContact O-N 3.17Å; E27-R30 PolarHBondContact O-N 2.86Å; E27-I31 HydrophobicContact CG-CD1 3.9Å; E27-I31 WeakPolarHBondContact O-CG1 3.28Å; E27-I31 PolarHBondContact O-N 2.77Å
28	A	94.1	Very high	90.2	Very high	2 Å²	2	72.6 Å²	72.6	2%	0.017	36%	0.357	C	S	.	.	H	α-helix	trans	-63.2	-41.7	177.9	0	0	0	0	0	112.8	K24 I25 E26 I31 L32 I53 L56	K24-A28 WeakPolarHBondContact O-CB 3.43Å; K24-A28 PolarHBondContact O-N 2.91Å; K24-A28 VanDerWaalsContact O-N 3.11Å; I25-A28 WeakPolarHBondContact O-CB 3.26Å; I25-A28 PolarHBondContact O-N 3.48Å; E26-A28 VanDerWaalsContact C-N 3.32Å; E26-A28 PolarHBondContact O-N 3.28Å; A28-I31 PolarHBondContact O-N 2.77Å; A28-L32 WeakPolarHBondContact O-CG 3.12Å; A28-L32 PolarHBondContact O-N 2.78Å; A28-I53 HydrophobicContact CB-CG2 4.12Å; A28-L56 HydrophobicContact CB-CB 3.8Å; A28-L56 HydrophobicContact CB-CD1 4.35Å
29	K	94.5	Very high	91	Very high	54 Å²	54	70.2 Å²	70.2	24%	0.235	34%	0.337	C	S	.	.	H	α-helix	trans	-58.9	-46.6	172.5	-70.4	171.7	-171.2	163	0	111.3	I25 E26 I31 L32 E33 Y57	I25-K29 PolarHBondContact O-N 2.92Å; E26-K29 PolarHBondContact O-N 3.15Å; E26-K29 WeakPolarHBondContact OE1-CD 3.25Å; E26-K29 IonicContact OE1-NZ 3.52Å; E26-K29 IonicContact OE2-NZ 2.68Å; E26-K29 PolarHBondContact OE2-NZ 2.9Å; K29-I31 PolarHBondContact O-N 3.46Å; K29-L32 WeakPolarHBondContact O-CB 3.32Å; K29-L32 PolarHBondContact O-N 2.87Å; K29-L32 VanDerWaalsContact O-N 3.14Å; K29-E33 PolarHBondContact O-N 3.2Å; K29-Y57 HydrophobicContact CG-CD2 3.83Å; K29-Y57 HydrophobicContact CG-CE2 4.05Å
30	R	94.2	Very high	91.6	Very high	174 Å²	174	71.2 Å²	71.2	66%	0.657	34%	0.34	S	S	*	.	H	α-helix	trans	-63.9	-37.8	-178.4	-168.5	-179.3	60.7	161.8	-1.6	112.5	E26 E27 S34	E26-R30 WeakPolarHBondContact O-CB 3.38Å; E26-R30 PolarHBondContact O-N 2.81Å; E27-R30 PolarHBondContact O-N 2.86Å; R30-S34 WeakPolarHBondContact O-CB 3.09Å; R30-S34 PolarHBondContact O-N 2.99Å; R30-S34 VanDerWaalsContact O-N 3.08Å
31	I	94.5	Very high	92.1	Very high	39 Å²	39	73 Å²	73	20%	0.2	35%	0.346	C	S	.	.	H	α-helix	trans	-68.3	-36.8	173.1	-64.9	163.9	0	0	0	111.5	E27 A28 K29 S34 H35 I53	E27-I31 HydrophobicContact CG-CD1 3.9Å; E27-I31 WeakPolarHBondContact O-CG1 3.28Å; E27-I31 PolarHBondContact O-N 2.77Å; A28-I31 PolarHBondContact O-N 2.77Å; K29-I31 PolarHBondContact O-N 3.46Å; I31-S34 PolarHBondContact O-OG 3.06Å; I31-S34 VanDerWaalsContact O-OG 3.05Å; I31-H35 PolarHBondContact O-ND1 3.24Å; I31-I53 HydrophobicContact CG2-CD1 3.78Å
32	L	94.7	Very high	92.5	Very high	5 Å²	5	69 Å²	69	3%	0.026	33%	0.327	C	S	.	.	H	α-helix	trans	-66.7	-47.3	176.6	-74	168.5	0	0	0	111.4	A28 K29 S34 H35 R36 W42 I53 L54 Y57 M64 L67	A28-L32 WeakPolarHBondContact O-CG 3.12Å; A28-L32 PolarHBondContact O-N 2.78Å; K29-L32 WeakPolarHBondContact O-CB 3.32Å; K29-L32 PolarHBondContact O-N 2.87Å; K29-L32 VanDerWaalsContact O-N 3.14Å; L32-S34 VanDerWaalsContact C-N 3.31Å; L32-S34 PolarHBondContact O-N 3.07Å; L32-H35 PolarHBondContact O-N 3Å; L32-R36 PolarHBondContact O-N 2.77Å; L32-W42 HydrophobicContact CD2-CH2 3.55Å; L32-W42 HydrophobicContact CD2-CZ2 4.3Å; L32-W42 HydrophobicContact CD2-CZ3 3.74Å; L32-I53 HydrophobicContact CD1-CG2 4.13Å; L32-I53 HydrophobicContact CD2-CG2 3.92Å; L32-I53 HydrophobicContact CG-CG2 3.69Å; L32-L54 HydrophobicContact CD1-CD2 4.29Å; L32-L54 HydrophobicContact CD2-CD2 3.79Å; L32-Y57 HydrophobicContact CD1-CD2 3.56Å; L32-Y57 HydrophobicContact CD1-CE2 4.35Å; L32-Y57 HydrophobicContact CD1-CG 3.75Å; L32-M64 HydrophobicContact CD1-CE 4.2Å; L32-M64 HydrophobicContact CD1-SD 4.06Å; L32-M64 HydrophobicContact CD2-CE 3.93Å; L32-L67 HydrophobicContact CB-CD2 4.29Å; L32-L67 HydrophobicContact CD2-CD1 4.29Å; L32-L67 WeakPolarHBondContact O-CD2 3.48Å
33	E	92.6	Very high	92.7	Very high	103 Å²	103	67.3 Å²	67.3	48%	0.481	32%	0.317	S	S	.	.	H	α-helix	trans	-66.3	-33	-179.4	-164.2	61.8	-157.5	0	0	111.9	K29 H35 R36	K29-E33 PolarHBondContact O-N 3.2Å; E33-H35 PolarHBondContact O-N 3.17Å; E33-H35 VanDerWaalsContact O-N 3.15Å; E33-R36 VanDerWaalsContact O-CB 3.31Å; E33-R36 WeakPolarHBondContact O-CB 3.46Å; E33-R36 PolarHBondContact O-N 3.44Å; E33-R36 VanDerWaalsContact O-N 3.08Å; E33-R36 IonicContact OE1-CZ 3.44Å; E33-R36 IonicContact OE1-NE 2.89Å; E33-R36 PolarHBondContact OE1-NE 3.22Å; E33-R36 IonicContact OE1-NH2 3.32Å; E33-R36 PolarHBondContact OE1-NH2 2.95Å; E33-R36 IonicContact OE2-CZ 3.74Å; E33-R36 IonicContact OE2-NE 2.83Å; E33-R36 IonicContact OE2-NH2 3.04Å; E33-R36 PolarHBondContact OE2-NH2 3.16Å
34	S	93.6	Very high	92.7	Very high	72 Å²	72	67.8 Å²	67.8	50%	0.503	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.4	172.9	82.9	0	0	0	0	114.2	R30 I31 L32	R30-S34 WeakPolarHBondContact O-CB 3.09Å; R30-S34 PolarHBondContact O-N 2.99Å; R30-S34 VanDerWaalsContact O-N 3.08Å; I31-S34 PolarHBondContact O-OG 3.06Å; I31-S34 VanDerWaalsContact O-OG 3.05Å; L32-S34 VanDerWaalsContact C-N 3.31Å; L32-S34 PolarHBondContact O-N 3.07Å
35	H	94.3	Very high	92.7	Very high	29 Å²	29	65.2 Å²	65.2	13%	0.134	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	10.1	175.2	-69.5	86.1	0	0	0	112.8	I31 L32 E33 D37 Q38 W42 L67	I31-H35 PolarHBondContact O-ND1 3.24Å; L32-H35 PolarHBondContact O-N 3Å; E33-H35 PolarHBondContact O-N 3.17Å; E33-H35 VanDerWaalsContact O-N 3.15Å; H35-D37 PolarHBondContact O-N 2.81Å; H35-Q38 PolarHBondContact O-N 2.86Å; H35-W42 HydrophobicContact CB-CB 4.33Å; H35-W42 HydrophobicContact CB-CE3 4.09Å; H35-W42 AromaticContact CG-CE3 3.92Å; H35-L67 HydrophobicContact CB-CD1 4.03Å
36	R	93.3	Very high	92.7	Very high	107 Å²	107	68.3 Å²	68.3	40%	0.404	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	130.1	170.8	-178.9	178	-70.4	-84.9	-3	109.6	L32 E33 Q38 L67	L32-R36 PolarHBondContact O-N 2.77Å; E33-R36 VanDerWaalsContact O-CB 3.31Å; E33-R36 WeakPolarHBondContact O-CB 3.46Å; E33-R36 PolarHBondContact O-N 3.44Å; E33-R36 VanDerWaalsContact O-N 3.08Å; E33-R36 IonicContact OE1-CZ 3.44Å; E33-R36 IonicContact OE1-NE 2.89Å; E33-R36 PolarHBondContact OE1-NE 3.22Å; E33-R36 IonicContact OE1-NH2 3.32Å; E33-R36 PolarHBondContact OE1-NH2 2.95Å; E33-R36 IonicContact OE2-CZ 3.74Å; E33-R36 IonicContact OE2-NE 2.83Å; E33-R36 IonicContact OE2-NH2 3.04Å; E33-R36 PolarHBondContact OE2-NH2 3.16Å; R36-Q38 PolarHBondContact O-N 2.83Å; R36-L67 CarbonylContact C-O 3.53Å; R36-L67 WeakPolarHBondContact CA-O 3.07Å; R36-L67 WeakPolarHBondContact CG-O 3.34Å
37	D	91.1	Very high	92.5	Very high	76 Å²	76	70.8 Å²	70.8	41%	0.406	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	6.3	-173.9	-69.1	-64.5	0	0	0	116.4	H35 L67 S68 S69	H35-D37 PolarHBondContact O-N 2.81Å; D37-L67 PolarHBondContact N-O 2.63Å; D37-S68 VanDerWaalsContact OD1-CA 3.23Å; D37-S68 WeakPolarHBondContact OD1-CA 3.41Å; D37-S68 PolarHBondContact OD1-OG 3Å; D37-S68 VanDerWaalsContact OD1-OG 3.09Å; D37-S69 VanDerWaalsContact CG-OG 3.22Å; D37-S69 PolarHBondContact OD1-N 3.14Å; D37-S69 PolarHBondContact OD1-OG 2.9Å; D37-S69 VanDerWaalsContact OD2-CB 3.27Å; D37-S69 WeakPolarHBondContact OD2-CB 3.44Å; D37-S69 PolarHBondContact OD2-N 2.83Å; D37-S69 PolarHBondContact OD2-OG 2.99Å
38	Q	92.4	Very high	92.2	Very high	101 Å²	101	75.8 Å²	75.8	47%	0.472	36%	0.355	S	S	.	.			trans	-108.8	49.6	177.8	-62.4	-172.3	-3.2	0	0	111.9	H35 R36 S40 E41 W42	H35-Q38 PolarHBondContact O-N 2.86Å; R36-Q38 PolarHBondContact O-N 2.83Å; Q38-S40 PolarHBondContact O-N 2.89Å; Q38-E41 HydrophobicContact CB-CB 4.38Å; Q38-E41 HydrophobicContact CB-CG 4.44Å; Q38-E41 PolarHBondContact O-N 2.94Å; Q38-E41 VanDerWaalsContact O-N 3.08Å; Q38-W42 PolarHBondContact O-N 3.18Å
39	L	90.9	Very high	92.2	Very high	9 Å²	9	78.6 Å²	78.6	5%	0.047	37%	0.367	C	S	.	.	H	α-helix	trans	-59.4	-29.3	-179.1	-69.6	179.7	0	0	0	113.3	R43 L67 L85 C88	L39-R43 WeakPolarHBondContact O-CB 3.46Å; L39-R43 VanDerWaalsContact O-CG 3.24Å; L39-R43 WeakPolarHBondContact O-CG 3.31Å; L39-R43 PolarHBondContact O-N 3.13Å; L39-L67 HydrophobicContact CD2-CB 4.09Å; L39-L85 HydrophobicContact CD2-CB 4.37Å; L39-L85 HydrophobicContact CD2-CD2 3.7Å; L39-C88 HydrophobicContact CD1-CB 3.86Å
40	S	88.3	Confident	92.2	Very high	68 Å²	68	76.2 Å²	76.2	48%	0.476	36%	0.357	S	S	.	.	H	α-helix	trans	-61.3	-44.2	173.5	47	0	0	0	0	112.5	Q38 R43	Q38-S40 PolarHBondContact O-N 2.89Å; S40-R43 PolarHBondContact O-N 3.04Å
41	E	92.2	Very high	92.2	Very high	77 Å²	77	69.6 Å²	69.6	36%	0.36	34%	0.337	S	S	.	.	H	α-helix	trans	-71.7	-43.4	176.9	-60.3	-50.2	125.3	0	0	111.2	Q38 R43 K44	Q38-E41 HydrophobicContact CB-CB 4.38Å; Q38-E41 HydrophobicContact CB-CG 4.44Å; Q38-E41 PolarHBondContact O-N 2.94Å; Q38-E41 VanDerWaalsContact O-N 3.08Å; E41-R43 PolarHBondContact O-N 3.08Å; E41-K44 WeakPolarHBondContact O-CB 3.31Å; E41-K44 PolarHBondContact O-N 2.88Å; E41-K44 WeakPolarHBondContact OE1-CE 3.4Å; E41-K44 IonicContact OE1-NZ 2.88Å; E41-K44 PolarHBondContact OE1-NZ 3.14Å; E41-K44 WeakPolarHBondContact OE2-CD 3.45Å; E41-K44 VanDerWaalsContact OE2-CE 3.32Å; E41-K44 WeakPolarHBondContact OE2-CE 3.48Å; E41-K44 IonicContact OE2-NZ 2.78Å; E41-K44 PolarHBondContact OE2-NZ 2.71Å
42	W	92.8	Very high	92.2	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-55.1	-38	173.7	177.2	-99.1	0	0	0	112.1	L32 H35 Q38 K44 I45 K50 I53 L54 L67 L85	L32-W42 HydrophobicContact CD2-CH2 3.55Å; L32-W42 HydrophobicContact CD2-CZ2 4.3Å; L32-W42 HydrophobicContact CD2-CZ3 3.74Å; H35-W42 HydrophobicContact CB-CB 4.33Å; H35-W42 HydrophobicContact CB-CE3 4.09Å; H35-W42 AromaticContact CG-CE3 3.92Å; Q38-W42 PolarHBondContact O-N 3.18Å; W42-K44 VanDerWaalsContact C-N 3.26Å; W42-K44 PolarHBondContact O-N 3.33Å; W42-I45 HydrophobicContact CD2-CD1 4.41Å; W42-I45 HydrophobicContact CE3-CD1 3.72Å; W42-I45 HydrophobicContact CZ3-CD1 4.03Å; W42-I45 PolarHBondContact O-N 3.13Å; W42-K50 HydrophobicContact CH2-CB 4.22Å; W42-K50 HydrophobicContact CH2-CG 4.3Å; W42-K50 HydrophobicContact CZ2-CB 3.76Å; W42-K50 HydrophobicContact CZ2-CD 4.13Å; W42-K50 HydrophobicContact CZ2-CG 3.83Å; W42-K50 WeakPolarHBondContact O-CE 3.5Å; W42-K50 PolarHBondContact O-NZ 2.79Å; W42-I53 HydrophobicContact CH2-CB 4.46Å; W42-I53 HydrophobicContact CH2-CD1 4.42Å; W42-I53 HydrophobicContact CH2-CG2 4.21Å; W42-I53 HydrophobicContact CZ3-CD1 4.37Å; W42-L54 HydrophobicContact CH2-CG 4.34Å; W42-L54 HydrophobicContact CZ2-CD1 3.99Å; W42-L54 HydrophobicContact CZ2-CG 4.17Å; W42-L67 HydrophobicContact CD2-CD1 4.29Å; W42-L67 HydrophobicContact CE3-CD1 4.34Å; W42-L85 HydrophobicContact CZ2-CD1 4.05Å; W42-L85 VanDerWaalsContact NE1-CB 3.32Å
43	R	90.9	Very high	92.2	Very high	74 Å²	74	72.4 Å²	72.4	28%	0.279	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-30.1	177	-78.9	179.4	-136.9	138.9	-4.1	113.1	L39 S40 E41 K50 D86 C88 L90	L39-R43 WeakPolarHBondContact O-CB 3.46Å; L39-R43 VanDerWaalsContact O-CG 3.24Å; L39-R43 WeakPolarHBondContact O-CG 3.31Å; L39-R43 PolarHBondContact O-N 3.13Å; S40-R43 PolarHBondContact O-N 3.04Å; E41-R43 PolarHBondContact O-N 3.08Å; R43-K50 VanDerWaalsContact CA-NZ 3.29Å; R43-K50 PolarHBondContact O-NZ 2.77Å; R43-D86 WeakPolarHBondContact CD-O 3.25Å; R43-C88 PolarHBondContact NH2-O 2.89Å; R43-L90 VanDerWaalsContact NH1-CD2 3.26Å
44	K	91.7	Very high	92.4	Very high	149 Å²	149	67.5 Å²	67.5	65%	0.648	32%	0.322	S	S	*	.	H	α-helix	trans	-72.6	-23.3	179.5	-58.7	177.3	-166.7	168.2	0	114.3	E41 W42	E41-K44 WeakPolarHBondContact O-CB 3.31Å; E41-K44 PolarHBondContact O-N 2.88Å; E41-K44 WeakPolarHBondContact OE1-CE 3.4Å; E41-K44 IonicContact OE1-NZ 2.88Å; E41-K44 PolarHBondContact OE1-NZ 3.14Å; E41-K44 WeakPolarHBondContact OE2-CD 3.45Å; E41-K44 VanDerWaalsContact OE2-CE 3.32Å; E41-K44 WeakPolarHBondContact OE2-CE 3.48Å; E41-K44 IonicContact OE2-NZ 2.78Å; E41-K44 PolarHBondContact OE2-NZ 2.71Å; W42-K44 VanDerWaalsContact C-N 3.26Å; W42-K44 PolarHBondContact O-N 3.33Å
45	I	92.2	Very high	92.4	Very high	41 Å²	41	66.1 Å²	66.1	21%	0.21	31%	0.313	C	S	.	.	S	Bend	trans	-61.4	149	179.3	-58.1	176.3	0	0	0	110.4	W42 E49 K50	W42-I45 HydrophobicContact CD2-CD1 4.41Å; W42-I45 HydrophobicContact CE3-CD1 3.72Å; W42-I45 HydrophobicContact CZ3-CD1 4.03Å; W42-I45 PolarHBondContact O-N 3.13Å; I45-E49 HydrophobicContact CG2-CB 3.94Å; I45-E49 HydrophobicContact CG2-CG 4.2Å; I45-K50 HydrophobicContact CB-CD 4.46Å; I45-K50 HydrophobicContact CB-CG 3.85Å; I45-K50 HydrophobicContact CG2-CG 3.75Å; I45-K50 WeakPolarHBondContact O-CE 3.35Å
46	S	91.6	Very high	92.3	Very high	72 Å²	72	65.5 Å²	65.5	50%	0.503	31%	0.31	S	S	.	.			trans	-64.8	138.9	175.2	86.3	0	0	0	0	111.8	K48 E49 K50	S46-K48 PolarHBondContact O-N 2.93Å; S46-K48 VanDerWaalsContact O-N 3.1Å; S46-E49 PolarHBondContact O-N 3.41Å; S46-E49 WeakPolarHBondContact OG-CB 3.48Å; S46-E49 PolarHBondContact OG-N 3.35Å; S46-K50 PolarHBondContact O-N 2.84Å
47	R	88.8	Confident	92.4	Very high	156 Å²	156	62.5 Å²	62.5	59%	0.589	30%	0.299	S	S	*	.	H	α-helix	trans	-55.4	-32	179.5	-171.7	179.8	179.3	99.7	-5.9	113.4	S51 L82 D86	R47-S51 WeakPolarHBondContact O-CB 3.38Å; R47-S51 PolarHBondContact O-N 2.76Å; R47-S51 VanDerWaalsContact O-N 3.12Å; R47-L82 HydrophobicContact CG-CD2 4.28Å; R47-D86 IonicContact NH1-OD2 2.77Å
48	K	88.5	Confident	92.5	Very high	184 Å²	184	60.7 Å²	60.7	80%	0.8	29%	0.288	S	S	*	.	H	α-helix	trans	-64.5	-43.5	176.3	-171.6	-175.3	178.1	-169.1	0	110.9	S46 S51 R52	S46-K48 PolarHBondContact O-N 2.93Å; S46-K48 VanDerWaalsContact O-N 3.1Å; K48-S51 PolarHBondContact O-N 2.8Å; K48-R52 PolarHBondContact O-N 2.81Å
49	E	93.3	Very high	92.4	Very high	60 Å²	60	63.2 Å²	63.2	28%	0.28	29%	0.293	S	S	.	.	H	α-helix	trans	-74.9	-42.7	-178.2	-169.8	55.5	-154.8	0	0	112.2	I45 S46 S51 R52 I53	I45-E49 HydrophobicContact CG2-CB 3.94Å; I45-E49 HydrophobicContact CG2-CG 4.2Å; S46-E49 PolarHBondContact O-N 3.41Å; S46-E49 WeakPolarHBondContact OG-CB 3.48Å; S46-E49 PolarHBondContact OG-N 3.35Å; E49-S51 PolarHBondContact O-N 2.94Å; E49-R52 WeakPolarHBondContact O-CA 3.45Å; E49-R52 WeakPolarHBondContact O-CB 3.35Å; E49-R52 PolarHBondContact O-N 2.58Å; E49-R52 IonicContact OE1-CZ 2.63Å; E49-R52 IonicContact OE1-NE 3.53Å; E49-R52 PolarHBondContact OE1-NE 3.38Å; E49-R52 IonicContact OE1-NH2 2.7Å; E49-R52 PolarHBondContact OE1-NH2 2.83Å; E49-R52 IonicContact OE2-NE 3.78Å; E49-R52 PolarHBondContact OE2-NE 3.06Å; E49-I53 HydrophobicContact CG-CD1 4.04Å; E49-I53 WeakPolarHBondContact O-CG1 3.45Å; E49-I53 PolarHBondContact O-N 2.84Å
50	K	95.2	Very high	92.2	Very high	5 Å²	5	67.1 Å²	67.1	2%	0.022	31%	0.311	C	S	.	.	H	α-helix	trans	-53.2	-43.9	170.5	-60.3	-175.5	-150.8	-166.8	0	111.7	W42 R43 I45 S46 I53 L54 L82 D86	W42-K50 HydrophobicContact CH2-CB 4.22Å; W42-K50 HydrophobicContact CH2-CG 4.3Å; W42-K50 HydrophobicContact CZ2-CB 3.76Å; W42-K50 HydrophobicContact CZ2-CD 4.13Å; W42-K50 HydrophobicContact CZ2-CG 3.83Å; W42-K50 WeakPolarHBondContact O-CE 3.5Å; W42-K50 PolarHBondContact O-NZ 2.79Å; R43-K50 VanDerWaalsContact CA-NZ 3.29Å; R43-K50 PolarHBondContact O-NZ 2.77Å; I45-K50 HydrophobicContact CB-CD 4.46Å; I45-K50 HydrophobicContact CB-CG 3.85Å; I45-K50 HydrophobicContact CG2-CG 3.75Å; I45-K50 WeakPolarHBondContact O-CE 3.35Å; S46-K50 PolarHBondContact O-N 2.84Å; K50-I53 PolarHBondContact O-N 3.48Å; K50-L54 WeakPolarHBondContact O-CB 3.45Å; K50-L54 WeakPolarHBondContact O-CG 3.43Å; K50-L54 PolarHBondContact O-N 3.03Å; K50-L82 HydrophobicContact CB-CD1 3.35Å; K50-L82 HydrophobicContact CD-CD1 3.92Å; K50-L82 HydrophobicContact CG-CD1 4.29Å; K50-D86 IonicContact NZ-OD1 3.51Å; K50-D86 PolarHBondContact NZ-OD1 3.28Å
51	S	93	Very high	92.2	Very high	34 Å²	34	66.1 Å²	66.1	24%	0.238	30%	0.3	C	S	.	.	H	α-helix	trans	-66.2	-35.8	176.4	-170.4	0	0	0	0	112.5	R47 K48 E49 S55 H78	R47-S51 WeakPolarHBondContact O-CB 3.38Å; R47-S51 PolarHBondContact O-N 2.76Å; R47-S51 VanDerWaalsContact O-N 3.12Å; K48-S51 PolarHBondContact O-N 2.8Å; E49-S51 PolarHBondContact O-N 2.94Å; S51-S55 WeakPolarHBondContact O-CB 3.19Å; S51-S55 PolarHBondContact O-N 2.84Å; S51-S55 PolarHBondContact O-OG 2.91Å; S51-H78 PolarHBondContact OG-NE2 2.89Å; S51-H78 VanDerWaalsContact OG-NE2 3.15Å
52	R	94.9	Very high	91.9	Very high	99 Å²	99	70.7 Å²	70.7	37%	0.374	32%	0.322	S	S	.	.	H	α-helix	trans	-62.4	-51.1	175.3	-172.4	-175.6	77.3	98.6	-1.8	110.7	K48 E49 S55 L56	K48-R52 PolarHBondContact O-N 2.81Å; E49-R52 WeakPolarHBondContact O-CA 3.45Å; E49-R52 WeakPolarHBondContact O-CB 3.35Å; E49-R52 PolarHBondContact O-N 2.58Å; E49-R52 IonicContact OE1-CZ 2.63Å; E49-R52 IonicContact OE1-NE 3.53Å; E49-R52 PolarHBondContact OE1-NE 3.38Å; E49-R52 IonicContact OE1-NH2 2.7Å; E49-R52 PolarHBondContact OE1-NH2 2.83Å; E49-R52 IonicContact OE2-NE 3.78Å; E49-R52 PolarHBondContact OE2-NE 3.06Å; R52-S55 PolarHBondContact O-N 3.34Å; R52-L56 HydrophobicContact CG-CD1 4.19Å; R52-L56 WeakPolarHBondContact O-CG 3.37Å; R52-L56 PolarHBondContact O-N 3.24Å
53	I	95.5	Very high	91.8	Very high	4 Å²	4	77.5 Å²	77.5	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-58.5	-52.8	-179.5	-65.7	159.2	0	0	0	110.4	A28 I31 L32 W42 E49 K50 S55 L56 Y57	A28-I53 HydrophobicContact CB-CG2 4.12Å; I31-I53 HydrophobicContact CG2-CD1 3.78Å; L32-I53 HydrophobicContact CD1-CG2 4.13Å; L32-I53 HydrophobicContact CD2-CG2 3.92Å; L32-I53 HydrophobicContact CG-CG2 3.69Å; W42-I53 HydrophobicContact CH2-CB 4.46Å; W42-I53 HydrophobicContact CH2-CD1 4.42Å; W42-I53 HydrophobicContact CH2-CG2 4.21Å; W42-I53 HydrophobicContact CZ3-CD1 4.37Å; E49-I53 HydrophobicContact CG-CD1 4.04Å; E49-I53 WeakPolarHBondContact O-CG1 3.45Å; E49-I53 PolarHBondContact O-N 2.84Å; K50-I53 PolarHBondContact O-N 3.48Å; I53-S55 PolarHBondContact O-N 3.36Å; I53-L56 PolarHBondContact O-N 2.86Å; I53-Y57 PolarHBondContact O-N 2.94Å
54	L	95.1	Very high	91.9	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65.8	-40.1	-179.2	-67.8	168.9	0	0	0	112	L32 W42 K50 L56 Y57 F58 M64 H78 M81 L82 L85	L32-L54 HydrophobicContact CD1-CD2 4.29Å; L32-L54 HydrophobicContact CD2-CD2 3.79Å; W42-L54 HydrophobicContact CH2-CG 4.34Å; W42-L54 HydrophobicContact CZ2-CD1 3.99Å; W42-L54 HydrophobicContact CZ2-CG 4.17Å; K50-L54 WeakPolarHBondContact O-CB 3.45Å; K50-L54 WeakPolarHBondContact O-CG 3.43Å; K50-L54 PolarHBondContact O-N 3.03Å; L54-L56 VanDerWaalsContact C-N 3.26Å; L54-L56 PolarHBondContact O-N 3.28Å; L54-Y57 PolarHBondContact O-N 3.23Å; L54-F58 WeakPolarHBondContact O-CD2 3.5Å; L54-F58 PolarHBondContact O-N 2.91Å; L54-M64 HydrophobicContact CD2-CE 4.15Å; L54-M64 HydrophobicContact CD2-SD 3.61Å; L54-H78 HydrophobicContact CB-CB 3.89Å; L54-M81 HydrophobicContact CD2-CB 4.43Å; L54-M81 HydrophobicContact CD2-CG 3.94Å; L54-L82 HydrophobicContact CD1-CB 3.69Å; L54-L82 HydrophobicContact CD1-CD1 4.02Å; L54-L82 HydrophobicContact CD1-CG 4.49Å; L54-L85 HydrophobicContact CD2-CD1 4.38Å
55	S	93.8	Very high	91.9	Very high	43 Å²	43	69.5 Å²	69.5	30%	0.301	32%	0.324	S	S	.	.	H	α-helix	trans	-63.6	-29.1	175	-68.6	0	0	0	0	113.3	S51 R52 I53 R59 H78	S51-S55 WeakPolarHBondContact O-CB 3.19Å; S51-S55 PolarHBondContact O-N 2.84Å; S51-S55 PolarHBondContact O-OG 2.91Å; R52-S55 PolarHBondContact O-N 3.34Å; I53-S55 PolarHBondContact O-N 3.36Å; S55-R59 WeakPolarHBondContact O-CG 3.49Å; S55-H78 PolarHBondContact OG-CD2 3.15Å; S55-H78 PolarHBondContact OG-CE1 3.02Å; S55-H78 PolarHBondContact OG-NE2 3.15Å
56	L	94	Very high	91.9	Very high	17 Å²	17	67.8 Å²	67.8	9%	0.089	32%	0.316	C	S	.	.	H	α-helix	trans	-73	-44.9	173	-73.5	165.9	0	0	0	111.4	K24 I25 A28 R52 I53 L54 F58 R59	K24-L56 HydrophobicContact CB-CD1 4.32Å; K24-L56 HydrophobicContact CB-CD2 4.36Å; I25-L56 HydrophobicContact CG1-CD2 4.43Å; A28-L56 HydrophobicContact CB-CB 3.8Å; A28-L56 HydrophobicContact CB-CD1 4.35Å; R52-L56 HydrophobicContact CG-CD1 4.19Å; R52-L56 WeakPolarHBondContact O-CG 3.37Å; R52-L56 PolarHBondContact O-N 3.24Å; I53-L56 PolarHBondContact O-N 2.86Å; L54-L56 VanDerWaalsContact C-N 3.26Å; L54-L56 PolarHBondContact O-N 3.28Å; L56-F58 PolarHBondContact O-N 2.98Å; L56-R59 WeakPolarHBondContact O-CB 3.25Å; L56-R59 PolarHBondContact O-N 2.82Å
57	Y	93.7	Very high	92	Very high	43 Å²	43	64.6 Å²	64.6	17%	0.169	29%	0.293	C	S	.	.	H	α-helix	trans	-57.8	-47.6	177.6	-178.6	-85.6	0	0	0	112.6	K29 L32 I53 L54 R59 Q60 N61 M64	K29-Y57 HydrophobicContact CG-CD2 3.83Å; K29-Y57 HydrophobicContact CG-CE2 4.05Å; L32-Y57 HydrophobicContact CD1-CD2 3.56Å; L32-Y57 HydrophobicContact CD1-CE2 4.35Å; L32-Y57 HydrophobicContact CD1-CG 3.75Å; I53-Y57 PolarHBondContact O-N 2.94Å; L54-Y57 PolarHBondContact O-N 3.23Å; Y57-R59 PolarHBondContact O-N 3.34Å; Y57-R59 VanDerWaalsContact O-N 3.14Å; Y57-Q60 PolarHBondContact O-N 2.84Å; Y57-N61 HydrophobicContact CD1-CB 3.99Å; Y57-N61 HydrophobicContact CE1-CB 3.43Å; Y57-N61 VanDerWaalsContact CE1-CB 3.43Å; Y57-N61 PolarHBondContact O-N 3.39Å; Y57-N61 PolarHBondContact O-ND2 2.72Å; Y57-M64 HydrophobicContact CD1-CB 4.12Å; Y57-M64 HydrophobicContact CD1-CG 4.08Å; Y57-M64 HydrophobicContact CD1-SD 4.06Å; Y57-M64 HydrophobicContact CE1-CB 3.54Å; Y57-M64 HydrophobicContact CE1-CG 3.55Å; Y57-M64 HydrophobicContact CE1-SD 4.14Å; Y57-M64 HydrophobicContact CG-SD 4.47Å
58	F	93.6	Very high	92.1	Very high	38 Å²	38	57.6 Å²	57.6	17%	0.167	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-0.1	-177.5	-85	-82.4	0	0	0	114.8	L54 L56 N61 M64 L75 H78 M81	L54-F58 WeakPolarHBondContact O-CD2 3.5Å; L54-F58 PolarHBondContact O-N 2.91Å; L56-F58 PolarHBondContact O-N 2.98Å; F58-N61 WeakPolarHBondContact CD1-O 3.33Å; F58-M64 HydrophobicContact CE1-CB 4.29Å; F58-M64 HydrophobicContact CE2-CB 3.83Å; F58-M64 HydrophobicContact CE2-SD 4.21Å; F58-M64 HydrophobicContact CZ-CB 3.49Å; F58-M64 VanDerWaalsContact CZ-CB 3.49Å; F58-L75 WeakPolarHBondContact CE1-O 3.41Å; F58-L75 WeakPolarHBondContact CZ-O 3.26Å; F58-H78 HydrophobicContact CB-CB 4.27Å; F58-H78 HydrophobicContact CD2-CB 3.56Å; F58-H78 HydrophobicContact CE2-CB 4.2Å; F58-H78 HydrophobicContact CG-CB 4.1Å; F58-M81 HydrophobicContact CE2-CB 4Å; F58-M81 HydrophobicContact CZ-CB 4.28Å
59	R	90.1	Very high	92.1	Very high	154 Å²	154	53 Å²	53	58%	0.581	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-24.1	171	-78.5	167.6	164.1	-158.1	-14.8	113.8	E21 I25 S55 L56 Y57	E21-R59 IonicContact OE1-CZ 3.02Å; E21-R59 IonicContact OE1-NH1 3.22Å; E21-R59 PolarHBondContact OE1-NH1 2.95Å; E21-R59 IonicContact OE1-NH2 3.43Å; I25-R59 HydrophobicContact CD1-CB 4.46Å; S55-R59 WeakPolarHBondContact O-CG 3.49Å; L56-R59 WeakPolarHBondContact O-CB 3.25Å; L56-R59 PolarHBondContact O-N 2.82Å; Y57-R59 PolarHBondContact O-N 3.34Å; Y57-R59 VanDerWaalsContact O-N 3.14Å
60	Q	87.3	Confident	91.9	Very high	92 Å²	92	55.5 Å²	55.5	43%	0.43	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-10.7	177.7	-85.2	-176.1	-1.8	0	0	113.5	I25 Y57	I25-Q60 HydrophobicContact CD1-CG 4.09Å; I25-Q60 HydrophobicContact CG2-CB 4.39Å; I25-Q60 HydrophobicContact CG2-CG 4.41Å; Y57-Q60 PolarHBondContact O-N 2.84Å
61	N	88.7	Confident	91.5	Very high	46 Å²	46	56.8 Å²	56.8	25%	0.246	29%	0.287	C	S	.	.			trans	-127.2	124.1	-175.5	-55.2	-83.4	0	0	0	109.9	Y57 F58 R63	Y57-N61 HydrophobicContact CD1-CB 3.99Å; Y57-N61 HydrophobicContact CE1-CB 3.43Å; Y57-N61 VanDerWaalsContact CE1-CB 3.43Å; Y57-N61 PolarHBondContact O-N 3.39Å; Y57-N61 PolarHBondContact O-ND2 2.72Å; F58-N61 WeakPolarHBondContact CD1-O 3.33Å; N61-R63 VanDerWaalsContact C-N 3.29Å; N61-R63 PolarHBondContact O-N 2.98Å
62	E	85.6	Confident	91.2	Very high	174 Å²	174	62.1 Å²	62.1	81%	0.813	32%	0.319	S	S	*	.	S	Bend	trans	-70.6	-26.2	178.9	-60.5	-173.5	161.5	0	0	113	S76	E62-S76 VanDerWaalsContact O-CA 3.3Å; E62-S76 WeakPolarHBondContact O-CA 3.22Å
63	R	90.7	Very high	90.6	Very high	143 Å²	143	58.8 Å²	58.8	54%	0.54	31%	0.312	S	S	.	.			trans	-140.9	148.9	-177.7	-55.6	-172.3	76.1	171	1.3	110.5	N61 Q74 L75	N61-R63 VanDerWaalsContact C-N 3.29Å; N61-R63 PolarHBondContact O-N 2.98Å; R63-Q74 PolarHBondContact NH2-O 3.26Å; R63-Q74 VanDerWaalsContact NH2-O 3.13Å; R63-L75 WeakPolarHBondContact CA-O 3.21Å
64	M	91.8	Very high	90.4	Very high	7 Å²	7	63.6 Å²	63.6	3%	0.034	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.3	172.1	-167.3	-174.5	144.8	0	0	108.8	L32 L54 Y57 F58 L67 Q74 L75 M81 L85	L32-M64 HydrophobicContact CD1-CE 4.2Å; L32-M64 HydrophobicContact CD1-SD 4.06Å; L32-M64 HydrophobicContact CD2-CE 3.93Å; L54-M64 HydrophobicContact CD2-CE 4.15Å; L54-M64 HydrophobicContact CD2-SD 3.61Å; Y57-M64 HydrophobicContact CD1-CB 4.12Å; Y57-M64 HydrophobicContact CD1-CG 4.08Å; Y57-M64 HydrophobicContact CD1-SD 4.06Å; Y57-M64 HydrophobicContact CE1-CB 3.54Å; Y57-M64 HydrophobicContact CE1-CG 3.55Å; Y57-M64 HydrophobicContact CE1-SD 4.14Å; Y57-M64 HydrophobicContact CG-SD 4.47Å; F58-M64 HydrophobicContact CE1-CB 4.29Å; F58-M64 HydrophobicContact CE2-CB 3.83Å; F58-M64 HydrophobicContact CE2-SD 4.21Å; F58-M64 HydrophobicContact CZ-CB 3.49Å; F58-M64 VanDerWaalsContact CZ-CB 3.49Å; M64-L67 HydrophobicContact CE-CD2 3.67Å; M64-L67 HydrophobicContact CE-CG 3.95Å; M64-Q74 CarbonylContact O-C 3.59Å; M64-Q74 VanDerWaalsContact O-CA 3.32Å; M64-Q74 WeakPolarHBondContact O-CA 3.2Å; M64-L75 PolarHBondContact N-O 3.43Å; M64-L75 PolarHBondContact O-N 2.84Å; M64-M81 HydrophobicContact CB-CE 3.77Å; M64-M81 HydrophobicContact CE-CE 4.4Å; M64-M81 HydrophobicContact CE-CG 4.02Å; M64-M81 HydrophobicContact CE-SD 4.36Å; M64-M81 HydrophobicContact CG-CE 3.99Å; M64-M81 WeakPolarHBondContact O-CE 3.17Å; M64-M81 HydrophobicContact SD-CE 4.29Å; M64-M81 HydrophobicContact SD-CG 3.72Å; M64-L85 HydrophobicContact CE-CD1 4.21Å
65	A	92.2	Very high	90	Very high	48 Å²	48	65.1 Å²	65.1	40%	0.397	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	156.3	168.2	0	0	0	0	0	111	A73 Q74 M81	A65-A73 CarbonylContact C-O 3.58Å; A65-Q74 HydrophobicContact CB-CG 4.11Å; A65-M81 WeakPolarHBondContact O-CE 3.39Å
66	C	93	Very high	89.8	Confident	5 Å²	5	66.1 Å²	66.1	3%	0.034	35%	0.35	C	S	.	.			trans	-56.3	147	171.2	-171.6	0	0	0	0	111.1	S68 C71 A73 H84	C66-S68 PolarHBondContact O-N 2.84Å; C66-S68 PolarHBondContact SG-N 2.82Å; C66-S68 VanDerWaalsContact SG-N 3.38Å; C66-C71 HydrophobicContact CB-CB 3.84Å; C66-A73 HydrophobicContact CB-CB 4.47Å; C66-A73 PolarHBondContact N-O 2.76Å; C66-H84 PolarHBondContact SG-NE2 2.83Å
67	L	92.5	Very high	89.3	Confident	5 Å²	5	68.2 Å²	68.2	3%	0.026	36%	0.363	C	S	.	.	S	Bend	trans	-71.3	-17.4	173.9	-64.2	-178.6	0	0	0	112.6	L32 H35 R36 D37 L39 W42 M64 L85	L32-L67 HydrophobicContact CB-CD2 4.29Å; L32-L67 HydrophobicContact CD2-CD1 4.29Å; L32-L67 WeakPolarHBondContact O-CD2 3.48Å; H35-L67 HydrophobicContact CB-CD1 4.03Å; R36-L67 CarbonylContact C-O 3.53Å; R36-L67 WeakPolarHBondContact CA-O 3.07Å; R36-L67 WeakPolarHBondContact CG-O 3.34Å; D37-L67 PolarHBondContact N-O 2.63Å; L39-L67 HydrophobicContact CD2-CB 4.09Å; W42-L67 HydrophobicContact CD2-CD1 4.29Å; W42-L67 HydrophobicContact CE3-CD1 4.34Å; M64-L67 HydrophobicContact CE-CD2 3.67Å; M64-L67 HydrophobicContact CE-CG 3.95Å; L67-L85 HydrophobicContact CB-CD2 3.86Å; L67-L85 HydrophobicContact CD1-CD1 3.86Å; L67-L85 HydrophobicContact CD1-CD2 4.09Å; L67-L85 HydrophobicContact CG-CD1 4.1Å; L67-L85 HydrophobicContact CG-CD2 3.76Å
68	S	91.3	Very high	89.2	Confident	9 Å²	9	67.8 Å²	67.8	6%	0.063	36%	0.362	C	S	.	.	S	Bend	trans	-90.9	127.3	173.5	-175.2	0	0	0	0	111.9	D37 C66 T70 C71	D37-S68 VanDerWaalsContact OD1-CA 3.23Å; D37-S68 WeakPolarHBondContact OD1-CA 3.41Å; D37-S68 PolarHBondContact OD1-OG 3Å; D37-S68 VanDerWaalsContact OD1-OG 3.09Å; C66-S68 PolarHBondContact O-N 2.84Å; C66-S68 PolarHBondContact SG-N 2.82Å; C66-S68 VanDerWaalsContact SG-N 3.38Å; S68-T70 PolarHBondContact O-N 3.02Å; S68-T70 PolarHBondContact OG-N 2.89Å; S68-T70 PolarHBondContact OG-OG1 3.22Å; S68-T70 VanDerWaalsContact OG-OG1 3.13Å; S68-C71 PolarHBondContact O-N 2.66Å
69	S	89.1	Confident	88.9	Confident	86 Å²	86	72.3 Å²	72.3	60%	0.601	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-28.7	172	57.6	0	0	0	0	113.6	D37 C71	D37-S69 VanDerWaalsContact CG-OG 3.22Å; D37-S69 PolarHBondContact OD1-N 3.14Å; D37-S69 PolarHBondContact OD1-OG 2.9Å; D37-S69 VanDerWaalsContact OD2-CB 3.27Å; D37-S69 WeakPolarHBondContact OD2-CB 3.44Å; D37-S69 PolarHBondContact OD2-N 2.83Å; D37-S69 PolarHBondContact OD2-OG 2.99Å; S69-C71 PolarHBondContact O-N 2.8Å
70	T	87.8	Confident	88.5	Confident	114 Å²	114	66.1 Å²	66.1	70%	0.699	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-3	177	70.3	0	0	0	0	113.2	S68	S68-T70 PolarHBondContact O-N 3.02Å; S68-T70 PolarHBondContact OG-N 2.89Å; S68-T70 PolarHBondContact OG-OG1 3.22Å; S68-T70 VanDerWaalsContact OG-OG1 3.13Å
71	C	87.7	Confident	88.8	Confident	31 Å²	31	61.7 Å²	61.7	21%	0.209	35%	0.347	C	S	.	.			trans	-117.6	119	-176.4	-170.7	0	0	0	0	112.1	C66 S68 S69 A73 H84	C66-C71 HydrophobicContact CB-CB 3.84Å; S68-C71 PolarHBondContact O-N 2.66Å; S69-C71 PolarHBondContact O-N 2.8Å; C71-A73 VanDerWaalsContact C-N 3.27Å; C71-A73 PolarHBondContact O-N 3.11Å; C71-H84 VanDerWaalsContact SG-CE1 3.56Å
72	T	87.6	Confident	89	Confident	147 Å²	147	59.8 Å²	59.8	90%	0.902	34%	0.337	S	S	*	.			trans	-83.1	5.8	-178.8	53.8	0	0	0	0	114.5	Q74	T72-Q74 PolarHBondContact O-N 3.28Å
73	A	81.6	Confident	89	Confident	28 Å²	28	54.7 Å²	54.7	23%	0.231	31%	0.311	C	S	.	.			trans	-67.7	131.4	-175.5	0	0	0	0	0	112.5	A65 C66 C71	A65-A73 CarbonylContact C-O 3.58Å; C66-A73 HydrophobicContact CB-CB 4.47Å; C66-A73 PolarHBondContact N-O 2.76Å; C71-A73 VanDerWaalsContact C-N 3.27Å; C71-A73 PolarHBondContact O-N 3.11Å
74	Q	92	Very high	89	Confident	106 Å²	106	49.8 Å²	49.8	50%	0.495	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	117.2	172.3	-72.3	-168.6	-8.5	0	0	111.4	R63 M64 A65 T72	R63-Q74 PolarHBondContact NH2-O 3.26Å; R63-Q74 VanDerWaalsContact NH2-O 3.13Å; M64-Q74 CarbonylContact O-C 3.59Å; M64-Q74 VanDerWaalsContact O-CA 3.32Å; M64-Q74 WeakPolarHBondContact O-CA 3.2Å; A65-Q74 HydrophobicContact CB-CG 4.11Å; T72-Q74 PolarHBondContact O-N 3.28Å
75	L	86.2	Confident	89	Confident	31 Å²	31	49.4 Å²	49.4	16%	0.162	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	147.5	-172.2	-63	167.5	0	0	0	111.4	F58 R63 M64 M81 H84	F58-L75 WeakPolarHBondContact CE1-O 3.41Å; F58-L75 WeakPolarHBondContact CZ-O 3.26Å; R63-L75 WeakPolarHBondContact CA-O 3.21Å; M64-L75 PolarHBondContact N-O 3.43Å; M64-L75 PolarHBondContact O-N 2.84Å; L75-M81 HydrophobicContact CB-CE 4.13Å; L75-M81 HydrophobicContact CD1-CB 4.47Å; L75-M81 HydrophobicContact CD1-CE 4.32Å; L75-M81 HydrophobicContact CD1-SD 4.25Å; L75-M81 HydrophobicContact CG-CE 4.47Å; L75-H84 HydrophobicContact CD1-CB 3.48Å; L75-H84 VanDerWaalsContact CD1-CB 3.48Å
76	S	88.6	Confident	88.8	Confident	65 Å²	65	48.3 Å²	48.3	46%	0.455	28%	0.28	S	S	.	.	S	Bend	trans	-101.6	2.4	-175.9	53.9	0	0	0	0	114.6	E62	E62-S76 VanDerWaalsContact O-CA 3.3Å; E62-S76 WeakPolarHBondContact O-CA 3.22Å
77	T	84.9	Confident	88.5	Confident	60 Å²	60	50.7 Å²	50.7	37%	0.368	29%	0.29	S	S	.	.	S	Bend	trans	-132.9	143.3	178.6	68.9	0	0	0	0	111.6	Q79 G80 M81 V531	T77-Q79 VanDerWaalsContact C-N 3.29Å; T77-Q79 PolarHBondContact O-N 2.88Å; T77-G80 PolarHBondContact O-N 2.87Å; T77-G80 PolarHBondContact OG1-N 2.95Å; T77-G80 VanDerWaalsContact OG1-N 3.13Å; T77-M81 PolarHBondContact O-N 2.92Å; T77-V531 HydrophobicContact CG2-CG2 4.4Å
78	H	91.3	Very high	88.3	Confident	34 Å²	34	51 Å²	51	16%	0.157	29%	0.293	C	S	.	.	H	α-helix	trans	-65.5	-33.7	-179.7	94.3	-82.7	0	0	0	112.1	S51 L54 S55 F58 L82	S51-H78 PolarHBondContact OG-NE2 2.89Å; S51-H78 VanDerWaalsContact OG-NE2 3.15Å; L54-H78 HydrophobicContact CB-CB 3.89Å; S55-H78 PolarHBondContact OG-CD2 3.15Å; S55-H78 PolarHBondContact OG-CE1 3.02Å; S55-H78 PolarHBondContact OG-NE2 3.15Å; F58-H78 HydrophobicContact CB-CB 4.27Å; F58-H78 HydrophobicContact CD2-CB 3.56Å; F58-H78 HydrophobicContact CE2-CB 4.2Å; F58-H78 HydrophobicContact CG-CB 4.1Å; H78-L82 VanDerWaalsContact O-CB 3.26Å; H78-L82 WeakPolarHBondContact O-CB 3.18Å; H78-L82 PolarHBondContact O-N 3.11Å
79	Q	87.5	Confident	87.9	Confident	134 Å²	134	54.3 Å²	54.3	63%	0.626	32%	0.316	S	S	*	.	H	α-helix	trans	-72.1	-38.7	176	-91.3	152.1	-29.2	0	0	112.8	T77 Y83	T77-Q79 VanDerWaalsContact C-N 3.29Å; T77-Q79 PolarHBondContact O-N 2.88Å; Q79-Y83 PolarHBondContact O-N 2.82Å; Q79-Y83 VanDerWaalsContact O-N 3.14Å
80	G	81.8	Confident	87.6	Confident	23 Å²	23	52 Å²	52	24%	0.237	30%	0.297	C	S	.	.	H	α-helix	trans	-61.2	-47.9	170.9	0	0	0	0	0	111	T77 Y83 H84	T77-G80 PolarHBondContact O-N 2.87Å; T77-G80 PolarHBondContact OG1-N 2.95Å; T77-G80 VanDerWaalsContact OG1-N 3.13Å; G80-Y83 PolarHBondContact O-N 3.34Å; G80-H84 WeakPolarHBondContact O-CB 3.4Å; G80-H84 PolarHBondContact O-N 3.34Å
81	M	92.5	Very high	86.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.7	-39.1	178.6	-172.6	55.3	83.9	0	0	112.8	L54 F58 M64 A65 L75 T77 Y83 H84 L85	L54-M81 HydrophobicContact CD2-CB 4.43Å; L54-M81 HydrophobicContact CD2-CG 3.94Å; F58-M81 HydrophobicContact CE2-CB 4Å; F58-M81 HydrophobicContact CZ-CB 4.28Å; M64-M81 HydrophobicContact CB-CE 3.77Å; M64-M81 HydrophobicContact CE-CE 4.4Å; M64-M81 HydrophobicContact CE-CG 4.02Å; M64-M81 HydrophobicContact CE-SD 4.36Å; M64-M81 HydrophobicContact CG-CE 3.99Å; M64-M81 WeakPolarHBondContact O-CE 3.17Å; M64-M81 HydrophobicContact SD-CE 4.29Å; M64-M81 HydrophobicContact SD-CG 3.72Å; A65-M81 WeakPolarHBondContact O-CE 3.39Å; L75-M81 HydrophobicContact CB-CE 4.13Å; L75-M81 HydrophobicContact CD1-CB 4.47Å; L75-M81 HydrophobicContact CD1-CE 4.32Å; L75-M81 HydrophobicContact CD1-SD 4.25Å; L75-M81 HydrophobicContact CG-CE 4.47Å; T77-M81 PolarHBondContact O-N 2.92Å; M81-Y83 VanDerWaalsContact C-N 3.34Å; M81-Y83 PolarHBondContact O-N 2.97Å; M81-H84 PolarHBondContact O-N 3.05Å; M81-H84 HydrophobicContact SD-CB 4.41Å; M81-L85 HydrophobicContact CG-CD1 3.79Å; M81-L85 HydrophobicContact CG-CG 4.08Å; M81-L85 VanDerWaalsContact O-CG 3.31Å; M81-L85 WeakPolarHBondContact O-CG 3.38Å; M81-L85 PolarHBondContact O-N 2.84Å; M81-L85 HydrophobicContact SD-CD1 3.97Å; M81-L85 HydrophobicContact SD-CD2 3.96Å; M81-L85 HydrophobicContact SD-CG 3.68Å
82	L	92.4	Very high	85.9	Confident	6 Å²	6	51.7 Å²	51.7	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-55.8	-49.1	174	178	70.6	0	0	0	111.4	R47 K50 L54 H78 D86	R47-L82 HydrophobicContact CG-CD2 4.28Å; K50-L82 HydrophobicContact CB-CD1 3.35Å; K50-L82 HydrophobicContact CD-CD1 3.92Å; K50-L82 HydrophobicContact CG-CD1 4.29Å; L54-L82 HydrophobicContact CD1-CB 3.69Å; L54-L82 HydrophobicContact CD1-CD1 4.02Å; L54-L82 HydrophobicContact CD1-CG 4.49Å; H78-L82 VanDerWaalsContact O-CB 3.26Å; H78-L82 WeakPolarHBondContact O-CB 3.18Å; H78-L82 PolarHBondContact O-N 3.11Å; L82-D86 WeakPolarHBondContact O-CB 3.38Å; L82-D86 PolarHBondContact O-N 3.24Å; L82-D86 VanDerWaalsContact O-N 3.15Å
83	Y	86.2	Confident	85.1	Confident	67 Å²	67	50.7 Å²	50.7	26%	0.263	28%	0.28	S	S	.	.	H	α-helix	trans	-66.3	-41.5	178.7	178.6	-107.4	0	0	0	112	Q79 G80 M81 D86 H87 L491	Q79-Y83 PolarHBondContact O-N 2.82Å; Q79-Y83 VanDerWaalsContact O-N 3.14Å; G80-Y83 PolarHBondContact O-N 3.34Å; M81-Y83 VanDerWaalsContact C-N 3.34Å; M81-Y83 PolarHBondContact O-N 2.97Å; Y83-D86 PolarHBondContact O-N 3.4Å; Y83-H87 AromaticContact CD2-CD2 3.51Å; Y83-H87 AromaticContact CD2-NE2 3.7Å; Y83-H87 AromaticContact CE2-CD2 3.21Å; Y83-H87 WeakPolarHBondContact CE2-CD2 3.45Å; Y83-H87 AromaticContact CE2-NE2 3.37Å; Y83-H87 WeakPolarHBondContact CE2-NE2 3.49Å; Y83-H87 AromaticContact CZ-CD2 3.69Å; Y83-H87 PolarHBondContact O-CD2 2.88Å; Y83-H87 VanDerWaalsContact O-CD2 3.31Å; Y83-H87 PolarHBondContact O-N 2.83Å; Y83-L491 HydrophobicContact CD2-CD1 4.16Å; Y83-L491 HydrophobicContact CE2-CD1 3.48Å; Y83-L491 VanDerWaalsContact CE2-CD1 3.48Å; Y83-L491 HydrophobicContact CE2-CG 3.95Å
84	H	90.1	Very high	84.9	Confident	39 Å²	39	54.4 Å²	54.4	18%	0.181	29%	0.293	C	S	.	.	H	α-helix	trans	-60.5	-51.2	176.6	179.1	72.5	0	0	0	111.6	C66 C71 L75 G80 M81 D86 H87 C88	C66-H84 PolarHBondContact SG-NE2 2.83Å; C71-H84 VanDerWaalsContact SG-CE1 3.56Å; L75-H84 HydrophobicContact CD1-CB 3.48Å; L75-H84 VanDerWaalsContact CD1-CB 3.48Å; G80-H84 WeakPolarHBondContact O-CB 3.4Å; G80-H84 PolarHBondContact O-N 3.34Å; M81-H84 PolarHBondContact O-N 3.05Å; M81-H84 HydrophobicContact SD-CB 4.41Å; H84-D86 VanDerWaalsContact C-N 3.32Å; H84-D86 PolarHBondContact O-N 3.44Å; H84-H87 CarbonylContact O-C 3.59Å; H84-H87 PolarHBondContact O-N 2.8Å; H84-H87 VanDerWaalsContact O-N 3.1Å; H84-C88 WeakPolarHBondContact O-CA 3.47Å; H84-C88 WeakPolarHBondContact O-CB 3.44Å; H84-C88 PolarHBondContact O-N 3.02Å
85	L	91.7	Very high	84.3	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.9	-28.8	-178.3	-61.8	171.9	0	0	0	113.4	L39 W42 L54 M64 L67 M81 H87	L39-L85 HydrophobicContact CD2-CB 4.37Å; L39-L85 HydrophobicContact CD2-CD2 3.7Å; W42-L85 HydrophobicContact CZ2-CD1 4.05Å; W42-L85 VanDerWaalsContact NE1-CB 3.32Å; L54-L85 HydrophobicContact CD2-CD1 4.38Å; M64-L85 HydrophobicContact CE-CD1 4.21Å; L67-L85 HydrophobicContact CB-CD2 3.86Å; L67-L85 HydrophobicContact CD1-CD1 3.86Å; L67-L85 HydrophobicContact CD1-CD2 4.09Å; L67-L85 HydrophobicContact CG-CD1 4.1Å; L67-L85 HydrophobicContact CG-CD2 3.76Å; M81-L85 HydrophobicContact CG-CD1 3.79Å; M81-L85 HydrophobicContact CG-CG 4.08Å; M81-L85 VanDerWaalsContact O-CG 3.31Å; M81-L85 WeakPolarHBondContact O-CG 3.38Å; M81-L85 PolarHBondContact O-N 2.84Å; M81-L85 HydrophobicContact SD-CD1 3.97Å; M81-L85 HydrophobicContact SD-CD2 3.96Å; M81-L85 HydrophobicContact SD-CG 3.68Å; L85-H87 PolarHBondContact O-N 2.8Å
86	D	89	Confident	83.9	Confident	24 Å²	24	52.3 Å²	52.3	13%	0.128	29%	0.287	C	S	.	.	H	α-helix	trans	-67.5	-19.2	173.6	-85.6	-7.2	0	0	0	112.9	R43 R47 K50 L82 Y83 H84	R43-D86 WeakPolarHBondContact CD-O 3.25Å; R47-D86 IonicContact NH1-OD2 2.77Å; K50-D86 IonicContact NZ-OD1 3.51Å; K50-D86 PolarHBondContact NZ-OD1 3.28Å; L82-D86 WeakPolarHBondContact O-CB 3.38Å; L82-D86 PolarHBondContact O-N 3.24Å; L82-D86 VanDerWaalsContact O-N 3.15Å; Y83-D86 PolarHBondContact O-N 3.4Å; H84-D86 VanDerWaalsContact C-N 3.32Å; H84-D86 PolarHBondContact O-N 3.44Å
87	H	86.8	Confident	83.3	Confident	55 Å²	55	50.4 Å²	50.4	26%	0.255	27%	0.272	S	S	.	.	H	α-helix	trans	-131	-8.1	-173.9	-58.9	-45.5	0	0	0	115.9	Y83 H84 L85 L90 I95	Y83-H87 AromaticContact CD2-CD2 3.51Å; Y83-H87 AromaticContact CD2-NE2 3.7Å; Y83-H87 AromaticContact CE2-CD2 3.21Å; Y83-H87 WeakPolarHBondContact CE2-CD2 3.45Å; Y83-H87 AromaticContact CE2-NE2 3.37Å; Y83-H87 WeakPolarHBondContact CE2-NE2 3.49Å; Y83-H87 AromaticContact CZ-CD2 3.69Å; Y83-H87 PolarHBondContact O-CD2 2.88Å; Y83-H87 VanDerWaalsContact O-CD2 3.31Å; Y83-H87 PolarHBondContact O-N 2.83Å; H84-H87 CarbonylContact O-C 3.59Å; H84-H87 PolarHBondContact O-N 2.8Å; H84-H87 VanDerWaalsContact O-N 3.1Å; L85-H87 PolarHBondContact O-N 2.8Å; H87-L90 WeakPolarHBondContact O-CB 3.48Å; H87-L90 PolarHBondContact O-N 3.16Å; H87-I95 HydrophobicContact CB-CD1 4.39Å
88	C	87.9	Confident	83	Confident	13 Å²	13	51.3 Å²	51.3	9%	0.088	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	139.8	179.2	-171.9	0	0	0	0	109.9	L39 R43 H84 L90	L39-C88 HydrophobicContact CD1-CB 3.86Å; R43-C88 PolarHBondContact NH2-O 2.89Å; H84-C88 WeakPolarHBondContact O-CA 3.47Å; H84-C88 WeakPolarHBondContact O-CB 3.44Å; H84-C88 PolarHBondContact O-N 3.02Å; C88-L90 PolarHBondContact O-N 3.41Å
89	S	82.8	Confident	82.3	Confident	77 Å²	77	50.6 Å²	50.6	54%	0.538	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	16.5	-173.5	-45.1	0	0	0	0	115.7
90	L	82.5	Confident	81.6	Confident	39 Å²	39	52.9 Å²	52.9	20%	0.204	29%	0.286	C	S	.	.			trans	-93.9	141.1	165.9	-68.8	-176.4	0	0	0	111.4	R43 H87 C88 E94 I95	R43-L90 VanDerWaalsContact NH1-CD2 3.26Å; H87-L90 WeakPolarHBondContact O-CB 3.48Å; H87-L90 PolarHBondContact O-N 3.16Å; C88-L90 PolarHBondContact O-N 3.41Å; L90-E94 HydrophobicContact CB-CB 4.31Å; L90-E94 HydrophobicContact CD2-CB 3.87Å; L90-E94 HydrophobicContact CD2-CG 4.47Å; L90-E94 HydrophobicContact CG-CB 4.5Å; L90-I95 HydrophobicContact CB-CD1 4.22Å; L90-I95 HydrophobicContact CB-CG1 3.73Å; L90-I95 HydrophobicContact CD1-CG1 3.98Å
91	T	74.7	Confident	80.7	Confident	60 Å²	60	58.2 Å²	58.2	37%	0.368	31%	0.308	S	S	.	.			trans	-73.8	159.7	166.3	61	0	0	0	0	111.4	E93 E94 I95	T91-E93 PolarHBondContact O-N 2.8Å; T91-E94 WeakPolarHBondContact CB-OE2 3.34Å; T91-E94 PolarHBondContact N-OE2 2.84Å; T91-E94 PolarHBondContact O-N 3.3Å; T91-E94 VanDerWaalsContact O-N 3.14Å; T91-E94 VanDerWaalsContact OG1-CD 3.31Å; T91-E94 VanDerWaalsContact OG1-CG 3.28Å; T91-E94 WeakPolarHBondContact OG1-CG 3.36Å; T91-E94 PolarHBondContact OG1-N 2.98Å; T91-E94 PolarHBondContact OG1-OE2 2.91Å; T91-I95 WeakPolarHBondContact O-CG1 3.17Å; T91-I95 PolarHBondContact O-N 2.78Å
92	P	65.4	Low	80.1	Confident	78 Å²	78	60.7 Å²	60.7	51%	0.506	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.5	176.1	-23.8	35.6	0	0	0	114.4	A108 A109	P92-A108 PolarHBondContact O-N 3.44Å; P92-A109 PolarHBondContact O-N 3.06Å
93	E	71.5	Confident	79.2	Confident	125 Å²	125	62.8 Å²	62.8	58%	0.584	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-38.2	174.1	-65.1	102.5	-123.4	0	0	112.2	T91 A107 A109	T91-E93 PolarHBondContact O-N 2.8Å; E93-A107 WeakPolarHBondContact O-CB 3.43Å; E93-A109 HydrophobicContact CG-CB 4.27Å
94	E	77.4	Confident	78.8	Confident	107 Å²	107	62 Å²	62	50%	0.5	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-24.5	-179.4	-67	166	114.3	0	0	113.7	L90 T91 T96	L90-E94 HydrophobicContact CB-CB 4.31Å; L90-E94 HydrophobicContact CD2-CB 3.87Å; L90-E94 HydrophobicContact CD2-CG 4.47Å; L90-E94 HydrophobicContact CG-CB 4.5Å; T91-E94 WeakPolarHBondContact CB-OE2 3.34Å; T91-E94 PolarHBondContact N-OE2 2.84Å; T91-E94 PolarHBondContact O-N 3.3Å; T91-E94 VanDerWaalsContact O-N 3.14Å; T91-E94 VanDerWaalsContact OG1-CD 3.31Å; T91-E94 VanDerWaalsContact OG1-CG 3.28Å; T91-E94 WeakPolarHBondContact OG1-CG 3.36Å; T91-E94 PolarHBondContact OG1-N 2.98Å; T91-E94 PolarHBondContact OG1-OE2 2.91Å; E94-T96 PolarHBondContact O-N 3.18Å; E94-T96 VanDerWaalsContact O-N 3.12Å
95	I	78.3	Confident	78.2	Confident	35 Å²	35	68.1 Å²	68.1	18%	0.179	37%	0.374	C	S	.	.			trans	-75	102.6	179	-63.3	169.7	0	0	0	109.1	H87 L90 T91 A108	H87-I95 HydrophobicContact CB-CD1 4.39Å; L90-I95 HydrophobicContact CB-CD1 4.22Å; L90-I95 HydrophobicContact CB-CG1 3.73Å; L90-I95 HydrophobicContact CD1-CG1 3.98Å; T91-I95 WeakPolarHBondContact O-CG1 3.17Å; T91-I95 PolarHBondContact O-N 2.78Å; I95-A108 HydrophobicContact CB-CB 4.28Å; I95-A108 HydrophobicContact CG2-CB 4.25Å; I95-A108 VanDerWaalsContact O-CB 3.28Å; I95-A108 WeakPolarHBondContact O-CB 3.39Å; I95-A108 PolarHBondContact O-N 3.46Å
96	T	79.3	Confident	77.7	Confident	57 Å²	57	69 Å²	69	35%	0.35	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.7	177.7	64.7	0	0	0	0	113.6	E94 R105 I106	E94-T96 PolarHBondContact O-N 3.18Å; E94-T96 VanDerWaalsContact O-N 3.12Å; T96-R105 PolarHBondContact O-NH2 2.82Å; T96-R105 PolarHBondContact OG1-NE 3.28Å; T96-I106 CarbonylContact C-O 3.44Å; T96-I106 WeakPolarHBondContact CA-O 3.28Å
97	V	76	Confident	77.1	Confident	25 Å²	25	68.7 Å²	68.7	15%	0.152	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.9	175.3	-68.2	0	0	0	0	111.3	R105 I106 V111	V97-R105 WeakPolarHBondContact O-CA 3.5Å; V97-I106 PolarHBondContact N-O 2.97Å; V97-I106 PolarHBondContact O-N 3.46Å; V97-V111 HydrophobicContact CG2-CG2 3.49Å; V97-V111 VanDerWaalsContact CG2-CG2 3.49Å
98	P	77	Confident	76.2	Confident	79 Å²	79	66.6 Å²	66.6	51%	0.513	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	131.6	177.8	30.7	-33.4	0	0	0	111.6	K100	P98-K100 PolarHBondContact O-N 3.33Å
99	C	77	Confident	75.3	Confident	19 Å²	19	68.2 Å²	68.2	13%	0.128	39%	0.385	C	S	.	.			trans	-60.9	129.3	169.5	-173.1	0	0	0	0	110.3	L101 C102 G103 S104 I106 H114	C99-L101 VanDerWaalsContact C-N 3.26Å; C99-L101 PolarHBondContact O-N 3.42Å; C99-C102 VanDerWaalsContact CB-SG 3.6Å; C99-G103 WeakPolarHBondContact O-CA 3.37Å; C99-G103 PolarHBondContact O-N 2.67Å; C99-S104 WeakPolarHBondContact CB-O 3.21Å; C99-S104 PolarHBondContact N-O 3.13Å; C99-I106 HydrophobicContact CB-CD1 3.81Å; C99-I106 HydrophobicContact CB-CG1 4.48Å; C99-H114 PolarHBondContact SG-NE2 3.43Å; C99-H114 VanDerWaalsContact SG-NE2 3.39Å
100	K	72.5	Confident	74.8	Confident	183 Å²	183	68.4 Å²	68.4	80%	0.796	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-20.7	178.8	-70.9	-176.2	-177.9	172.1	0	113.5	P98	P98-K100 PolarHBondContact O-N 3.33Å
101	L	63.7	Low	74.2	Confident	134 Å²	134	68.7 Å²	68.7	70%	0.702	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-60.2	-177.9	-63.6	173.3	0	0	0	111.8	C99	C99-L101 VanDerWaalsContact C-N 3.26Å; C99-L101 PolarHBondContact O-N 3.42Å
102	C	79.1	Confident	73.5	Confident	53 Å²	53	71.2 Å²	71.2	36%	0.358	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-6.3	-176.9	64.7	0	0	0	0	115.1	C99 S104 H114	C99-C102 VanDerWaalsContact CB-SG 3.6Å; C102-S104 PolarHBondContact O-N 3.37Å; C102-S104 PolarHBondContact SG-OG 3.03Å; C102-H114 PolarHBondContact SG-NE2 3.22Å; C102-H114 VanDerWaalsContact SG-NE2 3.42Å
103	G	75.1	Confident	73.9	Confident	50 Å²	50	73.1 Å²	73.1	52%	0.515	40%	0.395	S	S	.	.			trans	77.2	-10.7	178.1	0	0	0	0	0	116.4	C99	C99-G103 WeakPolarHBondContact O-CA 3.37Å; C99-G103 PolarHBondContact O-N 2.67Å
104	S	76.6	Confident	74.2	Confident	50 Å²	50	70 Å²	70	35%	0.35	38%	0.38	S	S	.	.			trans	-60.6	142.5	178.3	62.4	0	0	0	0	111.6	C99 C102 H114	C99-S104 WeakPolarHBondContact CB-O 3.21Å; C99-S104 PolarHBondContact N-O 3.13Å; C102-S104 PolarHBondContact O-N 3.37Å; C102-S104 PolarHBondContact SG-OG 3.03Å; S104-H114 PolarHBondContact OG-CE1 3.11Å
105	R	78.3	Confident	73.7	Confident	168 Å²	168	70.7 Å²	70.7	63%	0.634	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	125.2	173.1	-59.2	-165	76.4	101.2	5.3	109.5	T96 V97	T96-R105 PolarHBondContact O-NH2 2.82Å; T96-R105 PolarHBondContact OG1-NE 3.28Å; V97-R105 WeakPolarHBondContact O-CA 3.5Å
106	I	80.7	Confident	73.1	Confident	19 Å²	19	71 Å²	71	10%	0.097	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	140.4	-179.1	-45.1	154.9	0	0	0	107.2	T96 V97 C99 D110 V111 H114	T96-I106 CarbonylContact C-O 3.44Å; T96-I106 WeakPolarHBondContact CA-O 3.28Å; V97-I106 PolarHBondContact N-O 2.97Å; V97-I106 PolarHBondContact O-N 3.46Å; C99-I106 HydrophobicContact CB-CD1 3.81Å; C99-I106 HydrophobicContact CB-CG1 4.48Å; I106-D110 HydrophobicContact CG2-CB 3.95Å; I106-V111 HydrophobicContact CB-CG2 4.4Å; I106-V111 HydrophobicContact CG2-CG2 4.34Å; I106-H114 HydrophobicContact CD1-CB 3.7Å; I106-H114 HydrophobicContact CG1-CB 4.26Å; I106-H114 HydrophobicContact CG2-CB 4.15Å
107	A	75.7	Confident	72.1	Confident	16 Å²	16	74.2 Å²	74.2	13%	0.132	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	140.5	165.9	0	0	0	0	0	110.3	E93 A109 D110 V111	E93-A107 WeakPolarHBondContact O-CB 3.43Å; A107-A109 PolarHBondContact O-N 2.94Å; A107-D110 HydrophobicContact CB-CB 4.29Å; A107-D110 PolarHBondContact O-N 2.75Å; A107-V111 PolarHBondContact O-N 2.92Å
108	A	68.5	Low	70.9	Confident	12 Å²	12	75.1 Å²	75.1	10%	0.099	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-29.1	-176.7	0	0	0	0	0	112	P92 I95 Y463	P92-A108 PolarHBondContact O-N 3.44Å; I95-A108 HydrophobicContact CB-CB 4.28Å; I95-A108 HydrophobicContact CG2-CB 4.25Å; I95-A108 VanDerWaalsContact O-CB 3.28Å; I95-A108 WeakPolarHBondContact O-CB 3.39Å; I95-A108 PolarHBondContact O-N 3.46Å; A108-Y463 PolarHBondContact O-OH 3.37Å
109	A	69.6	Low	69.1	Low	47 Å²	47	76.6 Å²	76.6	39%	0.388	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-40.7	169.6	0	0	0	0	0	113.3	P92 E93 A107	P92-A109 PolarHBondContact O-N 3.06Å; E93-A109 HydrophobicContact CG-CB 4.27Å; A107-A109 PolarHBondContact O-N 2.94Å
110	D	72.9	Confident	67.3	Low	80 Å²	80	82 Å²	82	43%	0.428	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-90.6	0.5	-170.5	-68.6	-47.5	0	0	0	114.9	I106 A107 K112 N113 H114	I106-D110 HydrophobicContact CG2-CB 3.95Å; A107-D110 HydrophobicContact CB-CB 4.29Å; A107-D110 PolarHBondContact O-N 2.75Å; D110-K112 PolarHBondContact O-N 2.84Å; D110-K112 VanDerWaalsContact O-N 3.11Å; D110-N113 CarbonylContact O-C 3.44Å; D110-N113 WeakPolarHBondContact O-CA 3.48Å; D110-N113 PolarHBondContact O-N 3.35Å; D110-H114 PolarHBondContact O-N 3.49Å
111	V	69.4	Low	65.5	Low	45 Å²	45	77.3 Å²	77.3	27%	0.273	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-55.7	-32	178.4	177.4	0	0	0	0	112	V97 I106 A107 N113 Y463	V97-V111 HydrophobicContact CG2-CG2 3.49Å; V97-V111 VanDerWaalsContact CG2-CG2 3.49Å; I106-V111 HydrophobicContact CB-CG2 4.4Å; I106-V111 HydrophobicContact CG2-CG2 4.34Å; A107-V111 PolarHBondContact O-N 2.92Å; V111-N113 VanDerWaalsContact C-N 3.29Å; V111-N113 PolarHBondContact O-N 2.82Å; V111-Y463 WeakPolarHBondContact CB-OH 3.39Å; V111-Y463 HydrophobicContact CG1-CE2 4.49Å; V111-Y463 WeakPolarHBondContact CG2-OH 3.44Å
112	K	60.5	Low	63.9	Low	113 Å²	113	77.2 Å²	77.2	49%	0.491	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-69.2	-24.5	176.3	-159.7	-176.9	-174.4	-175.6	0	113.3	D110 P483 A486	D110-K112 PolarHBondContact O-N 2.84Å; D110-K112 VanDerWaalsContact O-N 3.11Å; K112-P483 PolarHBondContact NZ-O 3.27Å; K112-A486 HydrophobicContact CD-CB 4.13Å
113	N	71.9	Confident	61.7	Low	118 Å²	118	85.9 Å²	85.9	63%	0.631	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-4.2	-176.3	-61.9	-24.3	0	0	0	112.8	D110 V111 V115	D110-N113 CarbonylContact O-C 3.44Å; D110-N113 WeakPolarHBondContact O-CA 3.48Å; D110-N113 PolarHBondContact O-N 3.35Å; V111-N113 VanDerWaalsContact C-N 3.29Å; V111-N113 PolarHBondContact O-N 2.82Å; N113-V115 PolarHBondContact O-N 2.98Å
114	H	78.2	Confident	59.5	Low	59 Å²	59	87.6 Å²	87.6	27%	0.273	50%	0.501	S	S	.	.			trans	-69.6	98.7	-178.9	174.7	70.4	0	0	0	111.8	C99 C102 S104 I106 D110 C116	C99-H114 PolarHBondContact SG-NE2 3.43Å; C99-H114 VanDerWaalsContact SG-NE2 3.39Å; C102-H114 PolarHBondContact SG-NE2 3.22Å; C102-H114 VanDerWaalsContact SG-NE2 3.42Å; S104-H114 PolarHBondContact OG-CE1 3.11Å; I106-H114 HydrophobicContact CD1-CB 3.7Å; I106-H114 HydrophobicContact CG1-CB 4.26Å; I106-H114 HydrophobicContact CG2-CB 4.15Å; D110-H114 PolarHBondContact O-N 3.49Å; H114-C116 WeakPolarHBondContact NE2-CB 3.37Å; H114-C116 PolarHBondContact O-N 3.25Å; H114-C116 VanDerWaalsContact O-N 3.09Å
115	V	68.4	Low	57.2	Low	123 Å²	123	89.7 Å²	89.7	75%	0.745	51%	0.514	S	S	*	.			trans	-72.4	99.7	167.1	-177.2	0	0	0	0	108.4	N113 T117	N113-V115 PolarHBondContact O-N 2.98Å; V115-T117 PolarHBondContact O-N 2.96Å; V115-T117 VanDerWaalsContact O-N 3.12Å
116	C	64.2	Low	55.1	Low	42 Å²	42	88.3 Å²	88.3	28%	0.284	52%	0.524	S	S	.	.			trans	-73.4	102.9	179.5	-170.1	0	0	0	0	110.6	H114 G118	H114-C116 WeakPolarHBondContact NE2-CB 3.37Å; H114-C116 PolarHBondContact O-N 3.25Å; H114-C116 VanDerWaalsContact O-N 3.09Å; C116-G118 PolarHBondContact O-N 2.82Å
117	T	59.5	Low	52.8	Low	123 Å²	123	98.1 Å²	98.1	76%	0.755	56%	0.56	S	S	*	*			trans	-73.6	15.2	174.5	51.5	0	0	0	0	113.8	V115 T119	V115-T117 PolarHBondContact O-N 2.96Å; V115-T117 VanDerWaalsContact O-N 3.12Å; T117-T119 VanDerWaalsContact C-N 3.32Å; T117-T119 PolarHBondContact O-N 2.82Å
118	G	49.2	Very low	50.8	Low	44 Å²	44	105.3 Å²	105.3	45%	0.454	59%	0.588	S	S	.	*			trans	-68.1	85.1	176.3	0	0	0	0	0	111.5	C116	C116-G118 PolarHBondContact O-N 2.82Å
119	T	40.1	Very low	49.3	Very low	111 Å²	111	115.5 Å²	115.5	68%	0.681	62%	0.624	S	S	*	*			trans	-50.2	138.2	171.7	46.9	0	0	0	0	111.2	T117 A121	T117-T119 VanDerWaalsContact C-N 3.32Å; T117-T119 PolarHBondContact O-N 2.82Å; T119-A121 PolarHBondContact O-N 2.91Å
120	S	39.9	Very low	47.7	Very low	131 Å²	131	122.4 Å²	122.4	92%	0.916	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	12.1	179.2	54.8	0	0	0	0	115.6
121	A	34	Very low	46	Very low	85 Å²	85	127.6 Å²	127.6	70%	0.702	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-27.7	-173.7	0	0	0	0	0	113.8	T119 R123	T119-A121 PolarHBondContact O-N 2.91Å; A121-R123 PolarHBondContact O-N 2.86Å
122	D	31.4	Very low	44.5	Very low	132 Å²	132	134 Å²	134	71%	0.706	68%	0.682	S	S	*	*			trans	-98.8	79	-176.3	-154.5	-14	0	0	0	112.4	S124	D122-S124 PolarHBondContact O-N 2.82Å; D122-S124 PolarHBondContact OD1-N 3.17Å
123	R	31.9	Very low	43.6	Very low	236 Å²	236	132 Å²	132	89%	0.891	69%	0.687	S	S	*	*			trans	-69.4	58.5	163.5	-75.4	-174.4	173.1	-174.4	-0.3	110.8	A121	A121-R123 PolarHBondContact O-N 2.86Å
124	S	28.2	Very low	42	Very low	85 Å²	85	132 Å²	132	59%	0.594	69%	0.686	S	S	*	*			trans	-54	128.7	164.5	71.9	0	0	0	0	108.2	D122 V126	D122-S124 PolarHBondContact O-N 2.82Å; D122-S124 PolarHBondContact OD1-N 3.17Å; S124-V126 PolarHBondContact O-N 3.03Å; S124-V126 VanDerWaalsContact O-N 3.11Å
125	P	29.4	Very low	40.4	Very low	94 Å²	94	134 Å²	134	61%	0.61	70%	0.699	S	S	*	*			trans	-68.7	120.4	-165.1	24.5	-33.7	0	0	0	109.9	R127	P125-R127 WeakPolarHBondContact O-CA 3.08Å; P125-R127 PolarHBondContact O-N 3.36Å
126	V	32.9	Very low	39.5	Very low	140 Å²	140	135.5 Å²	135.5	85%	0.848	70%	0.695	S	S	*	*			trans	-34.2	109.5	172	174.7	0	0	0	0	109	S124 K128	S124-V126 PolarHBondContact O-N 3.03Å; S124-V126 VanDerWaalsContact O-N 3.11Å; V126-K128 PolarHBondContact O-N 3.09Å
127	R	34.1	Very low	38.6	Very low	225 Å²	225	135.5 Å²	135.5	85%	0.849	70%	0.698	S	S	*	*			trans	-45.4	110.1	-163	-78.1	177.6	168.1	176.5	-3.8	110.2	P125 R129	P125-R127 WeakPolarHBondContact O-CA 3.08Å; P125-R127 PolarHBondContact O-N 3.36Å; R127-R129 PolarHBondContact O-N 3.19Å
128	K	32.5	Very low	38.4	Very low	166 Å²	166	133 Å²	133	72%	0.722	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	7.5	-169.7	-65.7	178.5	179.1	174.6	0	115.5	V126 K130 R131	V126-K128 PolarHBondContact O-N 3.09Å; K128-K130 PolarHBondContact O-N 2.86Å; K128-R131 PolarHBondContact O-N 3.09Å; K128-R131 VanDerWaalsContact O-N 3.15Å
129	R	36.9	Very low	38.6	Very low	226 Å²	226	138.1 Å²	138.1	85%	0.853	69%	0.693	S	S	*	*	H	α-helix	trans	-64.6	-25.6	-175.8	-79.6	-173	168.6	179.6	-3.2	115	R127	R127-R129 PolarHBondContact O-N 3.19Å
130	K	37.5	Very low	39.1	Very low	192 Å²	192	138.7 Å²	138.7	84%	0.835	69%	0.689	S	S	*	*	H	α-helix	trans	-78.5	-18.7	172.4	-82.7	-170.7	174.2	-177.1	0	114.3	K128	K128-K130 PolarHBondContact O-N 2.86Å
131	R	35.7	Very low	39.3	Very low	190 Å²	190	138.8 Å²	138.8	72%	0.717	68%	0.677	S	S	*	*	H	α-helix	trans	-77.5	-29.6	-177.5	-157.2	168.5	177.8	162.7	-2.7	113	K128 L135	K128-R131 PolarHBondContact O-N 3.09Å; K128-R131 VanDerWaalsContact O-N 3.15Å; R131-L135 HydrophobicContact CG-CD1 3.78Å; R131-L135 VanDerWaalsContact O-CD1 3.29Å; R131-L135 WeakPolarHBondContact O-CD1 2.89Å; R131-L135 PolarHBondContact O-N 3.02Å
132	K	38.5	Very low	40	Very low	178 Å²	178	143.1 Å²	143.1	77%	0.774	68%	0.68	S	S	*	*	H	α-helix	trans	-67.8	-36.4	176.5	-79	-166.7	173.6	-171.5	0	113.5	K136	K132-K136 WeakPolarHBondContact O-CB 3.39Å; K132-K136 PolarHBondContact O-N 2.87Å
133	A	40.8	Very low	40.5	Very low	71 Å²	71	144.1 Å²	144.1	59%	0.587	68%	0.68	S	S	*	*	H	α-helix	trans	-67	-44	175.8	0	0	0	0	0	111.6	K136 A137	A133-K136 PolarHBondContact O-N 2.96Å; A133-A137 PolarHBondContact O-N 2.82Å
134	L	39	Very low	40.9	Very low	118 Å²	118	137.2 Å²	137.2	62%	0.618	67%	0.668	S	S	*	*	H	α-helix	trans	-64.8	-40.3	177.2	-170.9	65.9	0	0	0	112.4	T138	L134-T138 PolarHBondContact O-N 2.81Å; L134-T138 PolarHBondContact O-OG1 3.13Å
135	L	44.4	Very low	41.1	Very low	103 Å²	103	144 Å²	144	54%	0.539	68%	0.681	S	S	.	*	H	α-helix	trans	-66.1	-38.5	172.9	-97.6	89.7	0	0	0	112.7	R131 T138 K139	R131-L135 HydrophobicContact CG-CD1 3.78Å; R131-L135 VanDerWaalsContact O-CD1 3.29Å; R131-L135 WeakPolarHBondContact O-CD1 2.89Å; R131-L135 PolarHBondContact O-N 3.02Å; L135-T138 WeakPolarHBondContact CA-OG1 2.95Å; L135-T138 PolarHBondContact O-N 3.05Å; L135-T138 PolarHBondContact O-OG1 3.16Å; L135-K139 VanDerWaalsContact O-CB 3.31Å; L135-K139 WeakPolarHBondContact O-CB 3.19Å; L135-K139 PolarHBondContact O-N 2.84Å
136	K	49.6	Very low	41.1	Very low	153 Å²	153	142.5 Å²	142.5	67%	0.665	68%	0.683	S	S	*	*	H	α-helix	trans	-65.8	-42	177.3	-159.4	174.3	-176	-177	0	110.9	K132 A133 K139 M140	K132-K136 WeakPolarHBondContact O-CB 3.39Å; K132-K136 PolarHBondContact O-N 2.87Å; A133-K136 PolarHBondContact O-N 2.96Å; K136-K139 PolarHBondContact O-N 2.79Å; K136-M140 HydrophobicContact CG-SD 4.44Å; K136-M140 VanDerWaalsContact O-CG 3.3Å; K136-M140 WeakPolarHBondContact O-CG 3.25Å; K136-M140 PolarHBondContact O-N 2.92Å
137	A	45.9	Very low	41	Very low	42 Å²	42	145 Å²	145	35%	0.347	69%	0.685	S	S	.	*	H	α-helix	trans	-63.4	-43.7	174.7	0	0	0	0	0	113.2	A133 M140 M141	A133-A137 PolarHBondContact O-N 2.82Å; A137-M140 PolarHBondContact O-N 2.85Å; A137-M141 WeakPolarHBondContact O-CG 3.37Å; A137-M141 PolarHBondContact O-N 2.97Å
138	T	53.7	Low	40.9	Very low	71 Å²	71	139.7 Å²	139.7	44%	0.436	68%	0.683	S	S	.	*	H	α-helix	trans	-71.4	-31.4	177	38.3	0	0	0	0	113.3	L134 L135 M141 K142	L134-T138 PolarHBondContact O-N 2.81Å; L134-T138 PolarHBondContact O-OG1 3.13Å; L135-T138 WeakPolarHBondContact CA-OG1 2.95Å; L135-T138 PolarHBondContact O-N 3.05Å; L135-T138 PolarHBondContact O-OG1 3.16Å; T138-M141 PolarHBondContact O-N 3.21Å; T138-K142 PolarHBondContact O-N 3.34Å
139	K	54.3	Low	40.9	Very low	151 Å²	151	139.1 Å²	139.1	66%	0.657	69%	0.687	S	S	*	*	H	α-helix	trans	-68.1	-39.6	173.1	-155.1	172.5	-172.5	-176.3	0	111.3	L135 K136 K142 Q143	L135-K139 VanDerWaalsContact O-CB 3.31Å; L135-K139 WeakPolarHBondContact O-CB 3.19Å; L135-K139 PolarHBondContact O-N 2.84Å; K136-K139 PolarHBondContact O-N 2.79Å; K139-K142 PolarHBondContact O-N 3.34Å; K139-Q143 WeakPolarHBondContact O-CG 3.47Å; K139-Q143 PolarHBondContact O-N 3.48Å
140	M	49.8	Very low	40.6	Very low	123 Å²	123	133.4 Å²	133.4	61%	0.606	68%	0.682	S	S	*	*	H	α-helix	trans	-67.4	-36.9	173.4	-67.8	176.9	78	0	0	112.7	K136 A137 Q143 S144	K136-M140 HydrophobicContact CG-SD 4.44Å; K136-M140 VanDerWaalsContact O-CG 3.3Å; K136-M140 WeakPolarHBondContact O-CG 3.25Å; K136-M140 PolarHBondContact O-N 2.92Å; A137-M140 PolarHBondContact O-N 2.85Å; M140-Q143 PolarHBondContact O-N 2.9Å; M140-S144 PolarHBondContact O-N 3.5Å
141	M	45.1	Very low	40.3	Very low	134 Å²	134	129.5 Å²	129.5	66%	0.66	68%	0.679	S	S	*	*	H	α-helix	trans	-70.6	-29	173.5	-74.4	-173.8	-175.6	0	0	114	A137 T138 S144	A137-M141 WeakPolarHBondContact O-CG 3.37Å; A137-M141 PolarHBondContact O-N 2.97Å; T138-M141 PolarHBondContact O-N 3.21Å; M141-S144 PolarHBondContact O-OG 2.82Å; M141-S144 VanDerWaalsContact O-OG 3.1Å
142	K	48.6	Very low	40.1	Very low	176 Å²	176	128.7 Å²	128.7	77%	0.765	68%	0.684	S	S	*	*	H	α-helix	trans	-73.6	-31.8	171	-82	-163.8	170	-163.6	0	112.2	T138 K139 S144 R145	T138-K142 PolarHBondContact O-N 3.34Å; K139-K142 PolarHBondContact O-N 3.34Å; K142-S144 VanDerWaalsContact C-N 3.28Å; K142-S144 PolarHBondContact O-N 3.43Å; K142-R145 PolarHBondContact O-N 2.72Å
143	Q	42.1	Very low	39.9	Very low	153 Å²	153	125.5 Å²	125.5	72%	0.715	68%	0.683	S	S	*	*	H	α-helix	trans	-73.7	-16.4	173.9	-73.6	177.1	-51.8	0	0	113.5	K139 M140	K139-Q143 WeakPolarHBondContact O-CG 3.47Å; K139-Q143 PolarHBondContact O-N 3.48Å; M140-Q143 PolarHBondContact O-N 2.9Å
144	S	40.1	Very low	39.3	Very low	91 Å²	91	131.6 Å²	131.6	64%	0.636	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	19.9	170.6	69.6	0	0	0	0	113.7	M140 M141 K142	M140-S144 PolarHBondContact O-N 3.5Å; M141-S144 PolarHBondContact O-OG 2.82Å; M141-S144 VanDerWaalsContact O-OG 3.1Å; K142-S144 VanDerWaalsContact C-N 3.28Å; K142-S144 PolarHBondContact O-N 3.43Å
145	R	32.3	Very low	38.9	Very low	226 Å²	226	130.9 Å²	130.9	85%	0.853	71%	0.711	S	S	*	*			trans	-145.7	64.1	176.4	-91.9	-171.5	162	-176.5	-7.3	111.4	K142	K142-R145 PolarHBondContact O-N 2.72Å
146	G	29.7	Very low	38.2	Very low	64 Å²	64	132.8 Å²	132.8	66%	0.66	73%	0.727	S	S	*	*			trans	-109.2	157.2	139.9	0	0	0	0	0	107.5
147	E	30.3	Very low	37.3	Very low	191 Å²	191	129.4 Å²	129.4	89%	0.893	73%	0.727	S	S	*	*			cis	-140.6	142.3	14.4	-66.5	159.6	128.4	0	0	111.2
148	S	32.8	Very low	36.6	Very low	115 Å²	115	133 Å²	133	80%	0.804	75%	0.75	S	S	*	*			trans	-162.8	101.3	144.2	-35.3	0	0	0	0	110.3
149	D	31.3	Very low	35.4	Very low	153 Å²	153	134.2 Å²	134.2	82%	0.818	77%	0.768	S	S	*	*			trans	62.9	139.4	144.8	-56.4	-23	0	0	0	126.8
150	S	32	Very low	34.2	Very low	106 Å²	106	132.4 Å²	132.4	74%	0.741	77%	0.774	S	S	*	*			trans	65.6	100.7	159.9	51.6	0	0	0	0	118.2
151	S	30.4	Very low	33.1	Very low	110 Å²	110	133.9 Å²	133.9	77%	0.769	78%	0.784	S	S	*	*				76.7	132.8	81.7	70.3	0	0	0	0	113.1
152	E	30.7	Very low	32.2	Very low	174 Å²	174	133.3 Å²	133.3	81%	0.813	79%	0.793	S	S	*	*			cis	-148.9	167.2	30.3	-62.8	174.4	132.3	0	0	114.2
153	S	34.3	Very low	31.1	Very low	110 Å²	110	129.3 Å²	129.3	77%	0.769	79%	0.793	S	S	*	*			trans	55	112.5	161.6	61.6	0	0	0	0	119.4
154	E	29.1	Very low	30.2	Very low	200 Å²	200	131.3 Å²	131.3	94%	0.935	80%	0.8	S	S	*	*				80.2	105.7	62.9	-74	-152.9	149.7	0	0	116.5
155	A	31.6	Very low	29.4	Very low	103 Å²	103	132 Å²	132	85%	0.851	80%	0.804	S	S	*	*			trans	-176.4	136.5	130.2	0	0	0	0	0	112.1
156	T	29.2	Very low	29.1	Very low	142 Å²	142	129.8 Å²	129.8	87%	0.871	80%	0.804	S	S	*	*			trans	-68.1	173.1	-175.1	50.2	0	0	0	0	114.5
157	A	30.1	Very low	28.8	Very low	82 Å²	82	131.9 Å²	131.9	68%	0.678	81%	0.808	S	S	*	*			cis	-157	163.5	20.9	0	0	0	0	0	114.4
158	S	31	Very low	28.8	Very low	118 Å²	118	129.4 Å²	129.4	83%	0.825	81%	0.807	S	S	*	*			trans	35.1	140.4	147.1	60	0	0	0	0	121.4
159	A	27.8	Very low	28.3	Very low	97 Å²	97	131.9 Å²	131.9	80%	0.802	81%	0.811	S	S	*	*			cis	-165	-159.8	-7	0	0	0	0	0	106.1
160	S	30.8	Very low	28.1	Very low	112 Å²	112	128.2 Å²	128.2	78%	0.783	81%	0.809	S	S	*	*			cis	-152	-162.2	0.8	61.2	0	0	0	0	110.5
161	D	25.4	Very low	27.8	Very low	155 Å²	155	128.5 Å²	128.5	83%	0.829	81%	0.807	S	S	*	*			trans	-83.2	148.7	-165.8	-64.4	-59.8	0	0	0	118.5
162	S	27.4	Very low	27.4	Very low	121 Å²	121	129.6 Å²	129.6	85%	0.846	80%	0.804	S	S	*	*				-165.5	118.6	107.2	68.7	0	0	0	0	110.1
163	A	24.2	Very low	27.2	Very low	93 Å²	93	127.8 Å²	127.8	77%	0.769	80%	0.799	S	S	*	*			trans	-94.6	148.3	177.9	0	0	0	0	0	112.1
164	F	23.1	Very low	26.6	Very low	194 Å²	194	129 Å²	129	85%	0.851	80%	0.797	S	S	*	*			trans	-145.6	120.5	147.4	-148.2	-90.7	0	0	0	108.5
165	S	23.3	Very low	26.6	Very low	105 Å²	105	130.9 Å²	130.9	73%	0.734	80%	0.796	S	S	*	*			trans	-125.3	130.3	176.6	51.2	0	0	0	0	107.7
166	E	26.5	Very low	26.1	Very low	181 Å²	181	131 Å²	131	85%	0.846	79%	0.791	S	S	*	*			trans	-137.3	127.6	162.7	-155.8	166.7	-145.8	0	0	107.7
167	S	22.9	Very low	26	Very low	107 Å²	107	130.1 Å²	130.1	75%	0.748	79%	0.785	S	S	*	*			trans	-137.6	131	-174.1	52.8	0	0	0	0	108.1
168	T	30.9	Very low	25.6	Very low	140 Å²	140	130.7 Å²	130.7	86%	0.859	78%	0.784	S	S	*	*			trans	-137.3	112.8	161.2	50.5	0	0	0	0	108.3
169	D	22.3	Very low	25.1	Very low	167 Å²	167	134.1 Å²	134.1	89%	0.893	78%	0.784	S	S	*	*			trans	-67.1	163.9	158.9	-91.6	-47.5	0	0	0	110.5
170	G	27.6	Very low	24.8	Very low	75 Å²	75	135 Å²	135	77%	0.773	79%	0.785	S	S	*	*			trans	-176.6	90.3	173.8	0	0	0	0	0	109.4
171	T	24.5	Very low	24.6	Very low	113 Å²	113	133 Å²	133	69%	0.693	78%	0.782	S	S	*	*			trans	-93.4	163.2	173.3	54.4	0	0	0	0	111.8
172	D	23.7	Very low	24.7	Very low	133 Å²	133	135 Å²	135	71%	0.711	79%	0.786	S	S	*	*			trans	86.2	120.3	152.3	-51	-37.6	0	0	0	121.4
173	D	24.8	Very low	24.5	Very low	135 Å²	135	137.9 Å²	137.9	72%	0.722	79%	0.786	S	S	*	*			trans	96.6	123.1	130.3	-76.9	-9.6	0	0	0	124.4
174	N	23.3	Very low	25.1	Very low	136 Å²	136	138.4 Å²	138.4	73%	0.727	78%	0.781	S	S	*	*			trans	47.6	115.7	143.3	-75.9	-38.2	0	0	0	120.3
175	R	27.3	Very low	25.5	Very low	239 Å²	239	133.9 Å²	133.9	90%	0.902	77%	0.772	S	S	*	*			trans	-145.5	95.1	135.3	-126.3	171.5	-178.4	164	0.7	113.4	V177	R175-V177 HydrophobicContact CG-CG2 4.29Å
176	S	22.2	Very low	25.6	Very low	107 Å²	107	135 Å²	135	75%	0.748	78%	0.775	S	S	*	*			trans	-70.2	130	151.1	51.2	0	0	0	0	109.7
177	V	26.6	Very low	25.6	Very low	122 Å²	122	133.5 Å²	133.5	74%	0.739	78%	0.778	S	S	*	*			trans	-141.8	128.9	160.8	-174.2	0	0	0	0	108.4	R175	R175-V177 HydrophobicContact CG-CG2 4.29Å
178	S	21.1	Very low	25.9	Very low	95 Å²	95	133.6 Å²	133.6	66%	0.664	78%	0.778	S	S	*	*			trans	-146.2	151.5	172.5	50.1	0	0	0	0	109.2
179	F	21.5	Very low	25.6	Very low	190 Å²	190	133.6 Å²	133.6	83%	0.833	78%	0.778	S	S	*	*			trans	68	145.8	-177.9	-63	-86.2	0	0	0	115
180	S	22.2	Very low	25.9	Very low	115 Å²	115	131.3 Å²	131.3	80%	0.804	77%	0.772	S	S	*	*			cis	-166.2	160	-3.3	38.6	0	0	0	0	111.1
181	G	26.2	Very low	25.9	Very low	70 Å²	70	134.6 Å²	134.6	72%	0.722	77%	0.772	S	S	*	*			trans	133.1	139.2	165.3	0	0	0	0	0	112.9
182	E	26.7	Very low	26.2	Very low	198 Å²	198	141 Å²	141	93%	0.925	78%	0.784	S	S	*	*			cis	-147	156.9	-9.6	-69.3	-179	128.4	0	0	108.9
183	E	23.3	Very low	26.2	Very low	181 Å²	181	142 Å²	142	85%	0.846	79%	0.788	S	S	*	*			trans	-143.3	174.2	169.6	-118.6	-158.7	-145.5	0	0	106.1
184	P	36.4	Very low	26.3	Very low	103 Å²	103	139.7 Å²	139.7	67%	0.669	79%	0.788	S	S	*	*			cis	-117.8	-127.5	8.5	26.8	0.3	0	0	0	108.1
185	P	32.1	Very low	26.6	Very low	99 Å²	99	140.5 Å²	140.5	64%	0.643	79%	0.793	S	S	*	*			cis	-140	154.7	-13.4	41.6	-22	0	0	0	119.4
186	T	24.9	Very low	26.5	Very low	130 Å²	130	135.5 Å²	135.5	80%	0.798	79%	0.789	S	S	*	*			trans	63.8	117	142.9	52.7	0	0	0	0	122.3
187	T	27.6	Very low	26.6	Very low	149 Å²	149	136.1 Å²	136.1	91%	0.914	79%	0.79	S	S	*	*				-147	160.6	110.4	0.8	0	0	0	0	110.9
188	S	28.1	Very low	26.5	Very low	108 Å²	108	135.6 Å²	135.6	76%	0.755	79%	0.792	S	S	*	*			trans	-90.9	151.8	-156.4	47.6	0	0	0	0	115.7
189	V	25.4	Very low	26.8	Very low	140 Å²	140	141.5 Å²	141.5	85%	0.848	80%	0.8	S	S	*	*			trans	-124.5	120.3	158	-179.9	0	0	0	0	108.4
190	P	28.5	Very low	27	Very low	119 Å²	119	141 Å²	141	77%	0.773	80%	0.8	S	S	*	*			trans	-81.7	135.2	173.8	32.2	-31.7	0	0	0	110.7
191	N	27.1	Very low	27.3	Very low	145 Å²	145	140.9 Å²	140.9	78%	0.775	80%	0.795	S	S	*	*			trans	-93.6	130.7	176.7	-172	9.4	0	0	0	110.3
192	R	30.5	Very low	27.3	Very low	248 Å²	248	142.6 Å²	142.6	94%	0.936	80%	0.796	S	S	*	*			trans	-157.1	132.1	159.8	-113.6	171.1	-166.9	-157.8	2	112.8
193	N	25.4	Very low	27.5	Very low	152 Å²	152	136.7 Å²	136.7	81%	0.813	78%	0.776	S	S	*	*			trans	-60.8	145.4	-173.7	-53.3	-32.1	0	0	0	114.5
194	A	25.9	Very low	27.9	Very low	87 Å²	87	135 Å²	135	72%	0.719	77%	0.768	S	S	*	*				-164.6	134.7	129.8	0	0	0	0	0	112.6
195	N	28.8	Very low	28	Very low	154 Å²	154	135.6 Å²	135.6	82%	0.824	76%	0.762	S	S	*	*			trans	62.6	112.6	151.3	-58	-11.3	0	0	0	120.8
196	T	26.3	Very low	28	Very low	134 Å²	134	135.5 Å²	135.5	82%	0.822	76%	0.756	S	S	*	*			trans	-42.5	144.2	153.1	41.4	0	0	0	0	113.4
197	P	24.5	Very low	28.4	Very low	119 Å²	119	135.7 Å²	135.7	77%	0.773	75%	0.748	S	S	*	*				-119.5	143.6	107.7	33.4	-32.6	0	0	0	112.6	R199	P197-R199 PolarHBondContact O-N 2.91Å
198	S	24.3	Very low	28.8	Very low	112 Å²	112	133.1 Å²	133.1	78%	0.783	73%	0.734	S	S	*	*			trans	-60.6	95	173.1	49.1	0	0	0	0	111	E200	S198-E200 PolarHBondContact O-N 3.34Å
199	R	27.8	Very low	29	Very low	218 Å²	218	135 Å²	135	82%	0.823	73%	0.731	S	S	*	*			trans	-86.9	87.2	176.6	-165.3	175.3	177	171.8	-1.5	109.7	P197 T201	P197-R199 PolarHBondContact O-N 2.91Å; R199-T201 VanDerWaalsContact C-N 3.28Å; R199-T201 HydrophobicContact CG-CG2 4.33Å; R199-T201 PolarHBondContact O-N 2.82Å
200	E	24.5	Very low	29.5	Very low	181 Å²	181	135.3 Å²	135.3	85%	0.846	72%	0.716	S	S	*	*			trans	-57.1	91.6	163.8	-66.7	-175.4	147.2	0	0	109.5	S198 S202	S198-E200 PolarHBondContact O-N 3.34Å; E200-S202 VanDerWaalsContact C-N 3.29Å; E200-S202 PolarHBondContact O-N 2.91Å; E200-S202 VanDerWaalsContact O-N 3.11Å
201	T	28.5	Very low	29.8	Very low	112 Å²	112	131.3 Å²	131.3	69%	0.687	69%	0.688	S	S	*	*			trans	-81.3	86	165.6	35.6	0	0	0	0	107.8	R199 S203	R199-T201 VanDerWaalsContact C-N 3.28Å; R199-T201 HydrophobicContact CG-CG2 4.33Å; R199-T201 PolarHBondContact O-N 2.82Å; T201-S203 VanDerWaalsContact C-N 3.28Å; T201-S203 PolarHBondContact O-N 2.89Å
202	S	26.9	Very low	30.2	Very low	106 Å²	106	130.5 Å²	130.5	74%	0.741	68%	0.678	S	S	*	*			trans	-57	89.1	172.5	45.4	0	0	0	0	110.9	E200 E204	E200-S202 VanDerWaalsContact C-N 3.29Å; E200-S202 PolarHBondContact O-N 2.91Å; E200-S202 VanDerWaalsContact O-N 3.11Å; S202-E204 PolarHBondContact O-N 3.41Å
203	S	30.3	Very low	30.5	Very low	74 Å²	74	126.6 Å²	126.6	52%	0.517	67%	0.665	S	S	.	*			trans	-61.7	91	158.8	158.9	0	0	0	0	107.4	T201 Q205	T201-S203 VanDerWaalsContact C-N 3.28Å; T201-S203 PolarHBondContact O-N 2.89Å; S203-Q205 PolarHBondContact O-N 3.12Å
204	E	31.8	Very low	31	Very low	144 Å²	144	123.4 Å²	123.4	67%	0.673	64%	0.644	S	S	*	*			trans	-60.6	76.2	164.7	-79.1	-163.8	123.9	0	0	110.1	S202	S202-E204 PolarHBondContact O-N 3.41Å
205	Q	38.1	Very low	31.8	Very low	116 Å²	116	120.4 Å²	120.4	54%	0.542	62%	0.617	S	S	.	*			trans	-61.9	140.5	148.7	-59.4	-175.2	6.2	0	0	106.3	S203 Q207	S203-Q205 PolarHBondContact O-N 3.12Å; Q205-Q207 PolarHBondContact O-N 2.73Å
206	L	33.7	Very low	32.5	Very low	98 Å²	98	117.5 Å²	117.5	51%	0.513	60%	0.597	S	S	.	*			trans	-58.9	108.4	173.7	-86.6	98.1	0	0	0	109	R210	L206-R210 HydrophobicContact CD2-CB 4.04Å
207	Q	31.7	Very low	33.2	Very low	134 Å²	134	113.2 Å²	113.2	63%	0.626	58%	0.575	S	S	*	*			trans	-46.7	141.4	174.5	-73.9	-81.2	9.7	0	0	110	Q205 E209 R210	Q205-Q207 PolarHBondContact O-N 2.73Å; Q207-E209 PolarHBondContact O-N 3.42Å; Q207-R210 PolarHBondContact O-N 2.85Å
208	P	37.3	Very low	34.3	Very low	95 Å²	95	109.2 Å²	109.2	62%	0.617	55%	0.546	S	S	*	.	H	α-helix	trans	-49.8	-32.5	-178.3	-29.1	35.7	0	0	0	114.2	R210 L211 F212	P208-R210 VanDerWaalsContact C-N 3.35Å; P208-R210 PolarHBondContact O-N 3.41Å; P208-L211 WeakPolarHBondContact O-CA 3.42Å; P208-L211 VanDerWaalsContact O-CB 3.27Å; P208-L211 WeakPolarHBondContact O-CB 3.45Å; P208-L211 PolarHBondContact O-N 2.81Å; P208-F212 PolarHBondContact O-N 2.69Å
209	E	32.7	Very low	35.7	Very low	148 Å²	148	106.3 Å²	106.3	69%	0.692	52%	0.518	S	S	*	.	H	α-helix	trans	-57.5	-39.2	176.9	-59.6	-177.7	157.7	0	0	113.5	Q207 L211 F212 Y213	Q207-E209 PolarHBondContact O-N 3.42Å; E209-L211 VanDerWaalsContact C-N 3.27Å; E209-L211 PolarHBondContact O-N 3.3Å; E209-F212 WeakPolarHBondContact O-CB 3.16Å; E209-F212 PolarHBondContact O-N 3.04Å; E209-Y213 VanDerWaalsContact O-CD2 3.27Å; E209-Y213 WeakPolarHBondContact O-CD2 3.38Å; E209-Y213 PolarHBondContact O-N 3.11Å
210	R	33.9	Very low	36.6	Very low	145 Å²	145	101 Å²	101	55%	0.547	50%	0.501	S	S	.	.	H	α-helix	trans	-67.3	-29.4	174.8	-78.7	-170.6	176.8	162.3	3.7	112	L206 Q207 P208 F212 Y213 H214	L206-R210 HydrophobicContact CD2-CB 4.04Å; Q207-R210 PolarHBondContact O-N 2.85Å; P208-R210 VanDerWaalsContact C-N 3.35Å; P208-R210 PolarHBondContact O-N 3.41Å; R210-F212 VanDerWaalsContact C-N 3.34Å; R210-Y213 PolarHBondContact O-N 2.94Å; R210-H214 PolarHBondContact O-CD2 2.95Å; R210-H214 VanDerWaalsContact O-CD2 3.25Å; R210-H214 PolarHBondContact O-N 3.25Å
211	L	36.1	Very low	37.8	Very low	36 Å²	36	93.8 Å²	93.8	19%	0.188	47%	0.471	C	S	.	.	H	α-helix	trans	-67	-38.2	173.9	-147.4	79.9	0	0	0	111.3	P208 E209 Y213 H214 V215 M591	P208-L211 WeakPolarHBondContact O-CA 3.42Å; P208-L211 VanDerWaalsContact O-CB 3.27Å; P208-L211 WeakPolarHBondContact O-CB 3.45Å; P208-L211 PolarHBondContact O-N 2.81Å; E209-L211 VanDerWaalsContact C-N 3.27Å; E209-L211 PolarHBondContact O-N 3.3Å; L211-Y213 VanDerWaalsContact C-N 3.27Å; L211-Y213 PolarHBondContact O-N 2.83Å; L211-H214 PolarHBondContact O-N 2.86Å; L211-V215 WeakPolarHBondContact O-CG2 3.39Å; L211-V215 PolarHBondContact O-N 3.5Å; L211-M591 HydrophobicContact CD1-CB 4.02Å; L211-M591 HydrophobicContact CD1-CG 4.02Å; L211-M591 HydrophobicContact CD2-CB 4.49Å; L211-M591 HydrophobicContact CG-CB 4.45Å; L211-M591 HydrophobicContact CG-CG 4.23Å
212	F	35.3	Very low	39.2	Very low	127 Å²	127	90.6 Å²	90.6	56%	0.557	45%	0.446	S	S	*	.	H	α-helix	trans	-59.8	-37.4	174.4	-172.3	-112.2	0	0	0	111.9	P208 E209 R210 K216	P208-F212 PolarHBondContact O-N 2.69Å; E209-F212 WeakPolarHBondContact O-CB 3.16Å; E209-F212 PolarHBondContact O-N 3.04Å; R210-F212 VanDerWaalsContact C-N 3.34Å; F212-K216 HydrophobicContact CD1-CD 4.24Å; F212-K216 HydrophobicContact CE1-CD 3.92Å; F212-K216 VanDerWaalsContact CE1-CE 3.4Å; F212-K216 HydrophobicContact CZ-CD 4.37Å; F212-K216 VanDerWaalsContact O-CB 3.27Å; F212-K216 WeakPolarHBondContact O-CB 3.24Å; F212-K216 PolarHBondContact O-N 2.92Å
213	Y	36.5	Very low	40.6	Very low	167 Å²	167	93.4 Å²	93.4	66%	0.655	45%	0.445	S	S	*	.	H	α-helix	trans	-64.5	-36.8	170.6	-77	-78.1	0	0	0	113.3	E209 R210 L211 A217	E209-Y213 VanDerWaalsContact O-CD2 3.27Å; E209-Y213 WeakPolarHBondContact O-CD2 3.38Å; E209-Y213 PolarHBondContact O-N 3.11Å; R210-Y213 PolarHBondContact O-N 2.94Å; L211-Y213 VanDerWaalsContact C-N 3.27Å; L211-Y213 PolarHBondContact O-N 2.83Å; Y213-A217 WeakPolarHBondContact O-CB 3.49Å; Y213-A217 PolarHBondContact O-N 2.56Å
214	H	36.9	Very low	41.6	Very low	84 Å²	84	99 Å²	99	39%	0.389	46%	0.455	S	S	.	.	H	α-helix	trans	-72.8	-38.7	175.9	-78.2	-76	0	0	0	113.5	R210 L211 A217 F218	R210-H214 PolarHBondContact O-CD2 2.95Å; R210-H214 VanDerWaalsContact O-CD2 3.25Å; R210-H214 PolarHBondContact O-N 3.25Å; L211-H214 PolarHBondContact O-N 2.86Å; H214-A217 CarbonylContact O-C 3.56Å; H214-A217 WeakPolarHBondContact O-CA 2.91Å; H214-A217 WeakPolarHBondContact O-CB 3.03Å; H214-A217 PolarHBondContact O-N 2.93Å; H214-A217 VanDerWaalsContact O-N 3.12Å; H214-F218 PolarHBondContact O-N 2.82Å
215	V	41.2	Very low	42.6	Very low	24 Å²	24	94.6 Å²	94.6	15%	0.145	43%	0.434	C	S	.	.	H	α-helix	trans	-65.6	-44.7	173.6	178.8	0	0	0	0	110	L211 A217 F218 Y219 S589	L211-V215 WeakPolarHBondContact O-CG2 3.39Å; L211-V215 PolarHBondContact O-N 3.5Å; V215-A217 VanDerWaalsContact C-N 3.3Å; V215-A217 PolarHBondContact O-N 3.38Å; V215-F218 PolarHBondContact O-N 2.96Å; V215-Y219 HydrophobicContact CG1-CD2 3.95Å; V215-Y219 HydrophobicContact CG1-CE2 3.85Å; V215-Y219 WeakPolarHBondContact O-CD2 3.23Å; V215-Y219 PolarHBondContact O-N 3.44Å; V215-Y219 VanDerWaalsContact O-N 3.07Å; V215-S589 VanDerWaalsContact CG2-O 3.27Å; V215-S589 WeakPolarHBondContact CG2-O 3.3Å
216	K	43.8	Very low	43.6	Very low	94 Å²	94	91.6 Å²	91.6	41%	0.409	42%	0.42	S	S	.	.	H	α-helix	trans	-55.6	-46.3	167.2	-87.1	-174.7	172.1	-179.1	0	110.4	F212 F218 Y219 F220	F212-K216 HydrophobicContact CD1-CD 4.24Å; F212-K216 HydrophobicContact CE1-CD 3.92Å; F212-K216 VanDerWaalsContact CE1-CE 3.4Å; F212-K216 HydrophobicContact CZ-CD 4.37Å; F212-K216 VanDerWaalsContact O-CB 3.27Å; F212-K216 WeakPolarHBondContact O-CB 3.24Å; F212-K216 PolarHBondContact O-N 2.92Å; K216-F218 VanDerWaalsContact C-N 3.3Å; K216-F218 PolarHBondContact O-N 2.78Å; K216-Y219 CarbonylContact O-C 3.51Å; K216-Y219 PolarHBondContact O-N 2.59Å; K216-F220 HydrophobicContact CB-CD2 4.01Å; K216-F220 HydrophobicContact CB-CE2 4.31Å; K216-F220 HydrophobicContact CD-CE2 4.41Å; K216-F220 HydrophobicContact CG-CE2 4.42Å; K216-F220 WeakPolarHBondContact O-CA 3.22Å; K216-F220 WeakPolarHBondContact O-CB 3.4Å; K216-F220 VanDerWaalsContact O-CD2 3.23Å; K216-F220 WeakPolarHBondContact O-CD2 3.27Å; K216-F220 PolarHBondContact O-N 3.21Å
217	A	41.6	Very low	44.7	Very low	43 Å²	43	89.7 Å²	89.7	36%	0.355	41%	0.412	S	S	.	.	H	α-helix	trans	-63.2	-30.1	179.3	0	0	0	0	0	113.4	Y213 H214 V215 S221	Y213-A217 WeakPolarHBondContact O-CB 3.49Å; Y213-A217 PolarHBondContact O-N 2.56Å; H214-A217 CarbonylContact O-C 3.56Å; H214-A217 WeakPolarHBondContact O-CA 2.91Å; H214-A217 WeakPolarHBondContact O-CB 3.03Å; H214-A217 PolarHBondContact O-N 2.93Å; H214-A217 VanDerWaalsContact O-N 3.12Å; V215-A217 VanDerWaalsContact C-N 3.3Å; V215-A217 PolarHBondContact O-N 3.38Å; A217-S221 WeakPolarHBondContact O-CA 3.28Å; A217-S221 WeakPolarHBondContact O-CB 3.21Å; A217-S221 PolarHBondContact O-N 3.29Å
218	F	48.4	Very low	45.9	Very low	35 Å²	35	87.9 Å²	87.9	15%	0.154	40%	0.404	C	S	.	.	H	α-helix	trans	-67.7	-54.1	169.3	174	-113.6	0	0	0	111.6	H214 V215 K216 F220 S221 R222 L541 P588 I692	H214-F218 PolarHBondContact O-N 2.82Å; V215-F218 PolarHBondContact O-N 2.96Å; K216-F218 VanDerWaalsContact C-N 3.3Å; K216-F218 PolarHBondContact O-N 2.78Å; F218-F220 PolarHBondContact O-N 3.47Å; F218-S221 PolarHBondContact O-N 3.01Å; F218-R222 WeakPolarHBondContact O-CB 3.25Å; F218-R222 PolarHBondContact O-N 3.02Å; F218-L541 HydrophobicContact CB-CD1 3.79Å; F218-L541 HydrophobicContact CB-CD2 3.73Å; F218-L541 HydrophobicContact CB-CG 4.38Å; F218-L541 HydrophobicContact CD2-CD1 3.57Å; F218-L541 HydrophobicContact CD2-CD2 3.99Å; F218-L541 HydrophobicContact CD2-CG 4.07Å; F218-L541 HydrophobicContact CE2-CD1 4.37Å; F218-L541 HydrophobicContact CG-CD1 3.85Å; F218-L541 HydrophobicContact CG-CD2 4.32Å; F218-P588 HydrophobicContact CB-CB 4.49Å; F218-P588 HydrophobicContact CD1-CB 3.45Å; F218-P588 VanDerWaalsContact CD1-CB 3.45Å; F218-P588 HydrophobicContact CD1-CG 3.98Å; F218-P588 HydrophobicContact CD2-CB 4.45Å; F218-P588 HydrophobicContact CE1-CB 3.64Å; F218-P588 HydrophobicContact CE1-CG 3.61Å; F218-P588 HydrophobicContact CE2-CG 4.36Å; F218-P588 HydrophobicContact CG-CB 3.88Å; F218-P588 HydrophobicContact CG-CG 4.49Å; F218-P588 HydrophobicContact CZ-CB 4.2Å; F218-P588 HydrophobicContact CZ-CG 3.81Å; F218-I692 HydrophobicContact CZ-CB 4.49Å; F218-I692 HydrophobicContact CZ-CG2 4.3Å
219	Y	53.2	Low	47	Very low	52 Å²	52	90 Å²	90	20%	0.204	40%	0.399	C	S	.	.	H	α-helix	trans	-63.2	-30.7	178	-74.9	-69.4	0	0	0	112.3	V215 K216 K223 T694 A697	V215-Y219 HydrophobicContact CG1-CD2 3.95Å; V215-Y219 HydrophobicContact CG1-CE2 3.85Å; V215-Y219 WeakPolarHBondContact O-CD2 3.23Å; V215-Y219 PolarHBondContact O-N 3.44Å; V215-Y219 VanDerWaalsContact O-N 3.07Å; K216-Y219 CarbonylContact O-C 3.51Å; K216-Y219 PolarHBondContact O-N 2.59Å; Y219-K223 WeakPolarHBondContact O-CB 3.28Å; Y219-K223 VanDerWaalsContact O-CG 3.23Å; Y219-K223 WeakPolarHBondContact O-CG 3.48Å; Y219-K223 PolarHBondContact O-N 2.7Å; Y219-T694 HydrophobicContact CD1-CG2 4.43Å; Y219-T694 HydrophobicContact CE1-CG2 3.86Å; Y219-A697 WeakPolarHBondContact OH-CB 3.38Å
220	F	47.2	Very low	48.9	Very low	106 Å²	106	83 Å²	83	47%	0.465	37%	0.367	S	S	.	.	H	α-helix	trans	-78	-35.2	173.1	-87.5	-69.9	0	0	0	112.8	K216 F218 K223 R224	K216-F220 HydrophobicContact CB-CD2 4.01Å; K216-F220 HydrophobicContact CB-CE2 4.31Å; K216-F220 HydrophobicContact CD-CE2 4.41Å; K216-F220 HydrophobicContact CG-CE2 4.42Å; K216-F220 WeakPolarHBondContact O-CA 3.22Å; K216-F220 WeakPolarHBondContact O-CB 3.4Å; K216-F220 VanDerWaalsContact O-CD2 3.23Å; K216-F220 WeakPolarHBondContact O-CD2 3.27Å; K216-F220 PolarHBondContact O-N 3.21Å; F218-F220 PolarHBondContact O-N 3.47Å; F220-K223 CarbonylContact O-C 3.53Å; F220-K223 PolarHBondContact O-N 2.71Å; F220-R224 WeakPolarHBondContact O-CA 3.45Å; F220-R224 WeakPolarHBondContact O-CB 3.45Å; F220-R224 WeakPolarHBondContact O-CG 3.37Å; F220-R224 PolarHBondContact O-N 3.47Å
221	S	49.3	Very low	51	Low	30 Å²	30	76.2 Å²	76.2	21%	0.21	34%	0.341	C	S	.	.	H	α-helix	trans	-66.9	-48.5	173	175.8	0	0	0	0	109.1	A217 F218 K223 R224 H225	A217-S221 WeakPolarHBondContact O-CA 3.28Å; A217-S221 WeakPolarHBondContact O-CB 3.21Å; A217-S221 PolarHBondContact O-N 3.29Å; F218-S221 PolarHBondContact O-N 3.01Å; S221-K223 PolarHBondContact O-N 2.71Å; S221-R224 PolarHBondContact O-N 2.92Å; S221-R224 VanDerWaalsContact O-N 3.12Å; S221-H225 PolarHBondContact O-CD2 3.08Å; S221-H225 PolarHBondContact O-N 2.9Å; S221-H225 PolarHBondContact OG-CD2 3.41Å
222	R	56.7	Low	52.9	Low	44 Å²	44	78 Å²	78	17%	0.166	36%	0.355	C	S	.	.	H	α-helix	trans	-56.5	-47.5	170.2	-168.7	170.9	171.9	-143.7	-13.6	110.7	F218 R224 H225 H226 P300 P368 I692 N693	F218-R222 WeakPolarHBondContact O-CB 3.25Å; F218-R222 PolarHBondContact O-N 3.02Å; R222-R224 PolarHBondContact O-N 2.91Å; R222-H225 PolarHBondContact O-N 3.02Å; R222-H226 WeakPolarHBondContact O-CA 3.37Å; R222-H226 WeakPolarHBondContact O-CB 3.34Å; R222-H226 PolarHBondContact O-N 2.72Å; R222-P300 VanDerWaalsContact NH2-CA 3.33Å; R222-P300 PolarHBondContact NH2-O 2.94Å; R222-P368 PolarHBondContact NE-O 3Å; R222-I692 PolarHBondContact NH1-O 3.24Å; R222-N693 PolarHBondContact NH1-OD1 3.08Å; R222-N693 PolarHBondContact NH2-OD1 3.18Å; R222-N693 VanDerWaalsContact NH2-OD1 3.16Å
223	K	56.8	Low	54.8	Low	165 Å²	165	73.4 Å²	73.4	72%	0.717	34%	0.335	S	S	*	.	H	α-helix	trans	-66.2	-28.5	175.3	-79.6	-177.1	175.1	-167.1	0	115.2	Y219 F220 S221	Y219-K223 WeakPolarHBondContact O-CB 3.28Å; Y219-K223 VanDerWaalsContact O-CG 3.23Å; Y219-K223 WeakPolarHBondContact O-CG 3.48Å; Y219-K223 PolarHBondContact O-N 2.7Å; F220-K223 CarbonylContact O-C 3.53Å; F220-K223 PolarHBondContact O-N 2.71Å; S221-K223 PolarHBondContact O-N 2.71Å
224	R	52.2	Low	57	Low	193 Å²	193	65.4 Å²	65.4	73%	0.728	30%	0.304	S	S	*	.	H	α-helix	trans	-79.3	-31.8	178.6	-81	169.8	176.5	164.5	-1.9	112.7	F220 S221 R222	F220-R224 WeakPolarHBondContact O-CA 3.45Å; F220-R224 WeakPolarHBondContact O-CB 3.45Å; F220-R224 WeakPolarHBondContact O-CG 3.37Å; F220-R224 PolarHBondContact O-N 3.47Å; S221-R224 PolarHBondContact O-N 2.92Å; S221-R224 VanDerWaalsContact O-N 3.12Å; R222-R224 PolarHBondContact O-N 2.91Å
225	H	53.1	Low	59	Low	50 Å²	50	63 Å²	63	23%	0.231	29%	0.293	C	S	.	.	H	α-helix	trans	-102.1	-10	177.5	-53.3	-60.5	0	0	0	113	S221 R222 V227	S221-H225 PolarHBondContact O-CD2 3.08Å; S221-H225 PolarHBondContact O-N 2.9Å; S221-H225 PolarHBondContact OG-CD2 3.41Å; R222-H225 PolarHBondContact O-N 3.02Å; H225-V227 PolarHBondContact O-N 2.95Å
226	H	57.5	Low	61.1	Low	53 Å²	53	62.6 Å²	62.6	25%	0.245	29%	0.292	C	S	.	.			trans	-67.4	102.7	170.4	173	83.7	0	0	0	109	R222 S369 F372	R222-H226 WeakPolarHBondContact O-CA 3.37Å; R222-H226 WeakPolarHBondContact O-CB 3.34Å; R222-H226 PolarHBondContact O-N 2.72Å; H226-S369 PolarHBondContact CE1-O 2.99Å; H226-S369 PolarHBondContact ND1-O 2.96Å; H226-F372 AromaticContact CE1-CE1 3.62Å; H226-F372 AromaticContact CE1-CZ 3.55Å; H226-F372 AromaticContact NE2-CZ 4Å
227	V	56.5	Low	62.9	Low	58 Å²	58	59.1 Å²	59.1	35%	0.352	28%	0.279	S	S	.	.			trans	-95.5	113.4	166.7	178.2	0	0	0	0	107.6	H225 L230	H225-V227 PolarHBondContact O-N 2.95Å; V227-L230 HydrophobicContact CB-CD1 3.76Å; V227-L230 HydrophobicContact CB-CG 3.81Å; V227-L230 HydrophobicContact CG1-CG 4.04Å; V227-L230 HydrophobicContact CG2-CD1 4.45Å; V227-L230 PolarHBondContact O-N 2.91Å
228	Q	57.5	Low	64.7	Low	97 Å²	97	61.3 Å²	61.3	45%	0.453	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	133	171.9	-157.3	176.1	19.4	0	0	108.6	L230 E374	Q228-L230 VanDerWaalsContact C-N 3.32Å; Q228-L230 PolarHBondContact O-N 2.95Å; Q228-E374 PolarHBondContact NE2-OE1 3.04Å; Q228-E374 PolarHBondContact NE2-OE2 2.97Å
229	R	61.7	Low	66.3	Low	138 Å²	138	62.3 Å²	62.3	52%	0.521	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	41.7	-172.8	-63.9	179.7	169.7	155.4	-2.3	115.2	D373	R229-D373 IonicContact NE-OD1 3.36Å
230	L	72	Confident	67.7	Low	3 Å²	3	59.9 Å²	59.9	2%	0.016	29%	0.287	C	S	.	.			trans	-48.2	148.9	153.4	-110.6	158.9	0	0	0	110.8	V227 Q228 I371 R383 S451	V227-L230 HydrophobicContact CB-CD1 3.76Å; V227-L230 HydrophobicContact CB-CG 3.81Å; V227-L230 HydrophobicContact CG1-CG 4.04Å; V227-L230 HydrophobicContact CG2-CD1 4.45Å; V227-L230 PolarHBondContact O-N 2.91Å; Q228-L230 VanDerWaalsContact C-N 3.32Å; Q228-L230 PolarHBondContact O-N 2.95Å; L230-I371 HydrophobicContact CB-CD1 4.23Å; L230-I371 HydrophobicContact CB-CG1 4.17Å; L230-I371 HydrophobicContact CB-CG2 3.92Å; L230-I371 WeakPolarHBondContact O-CG2 3.23Å; L230-R383 PolarHBondContact O-NH2 3.19Å; L230-S451 WeakPolarHBondContact CD1-O 3.29Å; L230-S451 WeakPolarHBondContact CD2-O 3.23Å
231	F	78.3	Confident	69.1	Low	1 Å²	1	58.7 Å²	58.7	0%	0.004	29%	0.292	C	S	.	.			trans	40.7	63.6	177.2	-49	-47.9	0	0	0	114.3	E233 L234 I371 R383 W446 L469 H471 W475	F231-E233 WeakPolarHBondContact CA-OE2 3.36Å; F231-E233 PolarHBondContact O-N 3.13Å; F231-E233 VanDerWaalsContact O-N 3.08Å; F231-L234 HydrophobicContact CB-CB 4.21Å; F231-L234 HydrophobicContact CB-CD1 3.72Å; F231-L234 HydrophobicContact CB-CG 3.82Å; F231-L234 HydrophobicContact CD2-CD1 3.92Å; F231-L234 HydrophobicContact CG-CD1 4.04Å; F231-L234 PolarHBondContact O-N 3.26Å; F231-I371 HydrophobicContact CD2-CD1 3.6Å; F231-I371 HydrophobicContact CE2-CD1 4.24Å; F231-R383 PolarHBondContact O-NH1 3.15Å; F231-W446 HydrophobicContact CE2-CZ3 4Å; F231-L469 HydrophobicContact CD1-CB 4.48Å; F231-L469 HydrophobicContact CD2-CD1 4.39Å; F231-L469 HydrophobicContact CE1-CB 3.69Å; F231-L469 HydrophobicContact CE1-CD1 4.39Å; F231-L469 WeakPolarHBondContact CE1-O 3.48Å; F231-L469 HydrophobicContact CE2-CD1 3.75Å; F231-L469 HydrophobicContact CZ-CB 3.72Å; F231-L469 HydrophobicContact CZ-CD1 3.75Å; F231-L469 HydrophobicContact CZ-CG 4.38Å; F231-H471 AromaticContact CD1-CE1 3.87Å; F231-W475 HydrophobicContact CB-CZ3 3.81Å; F231-W475 AromaticContact CD1-CH2 3.66Å; F231-W475 HydrophobicContact CD1-CH2 3.66Å; F231-W475 AromaticContact CD1-CZ3 3.6Å; F231-W475 HydrophobicContact CD1-CZ3 3.6Å; F231-W475 HydrophobicContact CE1-CH2 4.11Å; F231-W475 HydrophobicContact CE1-CZ3 4.43Å; F231-W475 HydrophobicContact CG-CH2 4.28Å; F231-W475 AromaticContact CG-CZ3 3.78Å; F231-W475 HydrophobicContact CG-CZ3 3.78Å
232	P	74.6	Confident	70.2	Confident	74 Å²	74	62.1 Å²	62.1	48%	0.481	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-14.6	177.3	27.9	-36.5	0	0	0	113.2
233	E	77	Confident	71	Confident	30 Å²	30	61.5 Å²	61.5	14%	0.14	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-27.2	175.4	-46.2	80.2	-177	0	0	112.4	F231 I235 H471 W475	F231-E233 WeakPolarHBondContact CA-OE2 3.36Å; F231-E233 PolarHBondContact O-N 3.13Å; F231-E233 VanDerWaalsContact O-N 3.08Å; E233-I235 VanDerWaalsContact C-N 3.31Å; E233-I235 PolarHBondContact O-N 2.96Å; E233-H471 IonicContact OE1-ND1 3.81Å; E233-H471 IonicContact OE2-ND1 2.68Å; E233-W475 HydrophobicContact CB-CB 3.95Å; E233-W475 HydrophobicContact CB-CD2 4.17Å; E233-W475 HydrophobicContact CB-CE3 3.95Å; E233-W475 HydrophobicContact CB-CG 4.16Å
234	L	81	Confident	71.4	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.307	C	S	.	.			trans	-77.4	80.1	174.7	-63.9	179.9	0	0	0	110.5	F231 R383 L398 C400 C430 L431 W475	F231-L234 HydrophobicContact CB-CB 4.21Å; F231-L234 HydrophobicContact CB-CD1 3.72Å; F231-L234 HydrophobicContact CB-CG 3.82Å; F231-L234 HydrophobicContact CD2-CD1 3.92Å; F231-L234 HydrophobicContact CG-CD1 4.04Å; F231-L234 PolarHBondContact O-N 3.26Å; L234-R383 PolarHBondContact O-NH1 3.22Å; L234-L398 HydrophobicContact CD1-CD2 4.47Å; L234-C400 VanDerWaalsContact CB-SG 3.55Å; L234-C400 PolarHBondContact O-SG 2.9Å; L234-C430 HydrophobicContact CD2-CB 4.34Å; L234-L431 HydrophobicContact CD2-CB 3.95Å; L234-L431 HydrophobicContact CD2-CD2 4.47Å; L234-W475 HydrophobicContact CD1-CE3 4.34Å; L234-W475 HydrophobicContact CD1-CZ3 4.06Å; L234-W475 HydrophobicContact CD2-CB 4.48Å; L234-W475 HydrophobicContact CD2-CD2 4.28Å; L234-W475 HydrophobicContact CD2-CE3 3.4Å; L234-W475 HydrophobicContact CD2-CZ3 3.94Å; L234-W475 HydrophobicContact CG-CE3 3.5Å; L234-W475 HydrophobicContact CG-CZ3 3.7Å
235	I	80.4	Confident	71.6	Confident	32 Å²	32	54.9 Å²	54.9	16%	0.164	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-86	147.8	-177.9	-63.3	147.2	0	0	0	110	E233 P237 R380	E233-I235 VanDerWaalsContact C-N 3.31Å; E233-I235 PolarHBondContact O-N 2.96Å; I235-P237 WeakPolarHBondContact O-CD 3.36Å; I235-R380 VanDerWaalsContact CD1-NH1 3.29Å
236	C	83.8	Confident	71.8	Confident	16 Å²	16	58.2 Å²	58.2	11%	0.108	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-65.2	123.7	169	-72	0	0	0	0	110.3	C400 V401 P402	C236-C400 PolarHBondContact SG-O 2.98Å; C236-C400 VanDerWaalsContact SG-O 3.33Å; C236-V401 VanDerWaalsContact SG-C 3.55Å; C236-P402 HydrophobicContact CB-CB 4.31Å
237	P	82.3	Confident	71.7	Confident	21 Å²	21	57.9 Å²	57.9	14%	0.136	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-50	143.3	173.3	-29.3	34.5	0	0	0	113.1	I235 E239 W240 I427	I235-P237 WeakPolarHBondContact O-CD 3.36Å; P237-E239 WeakPolarHBondContact CB-OE2 3.38Å; P237-E239 PolarHBondContact O-N 2.79Å; P237-W240 VanDerWaalsContact O-CD1 3.29Å; P237-W240 PolarHBondContact O-N 3.19Å; P237-I427 HydrophobicContact CB-CG2 4.36Å; P237-I427 HydrophobicContact CG-CG2 4.16Å
238	S	79.3	Confident	71.5	Confident	90 Å²	90	59.2 Å²	59.2	63%	0.629	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-60.7	-29.4	174.7	34.4	0	0	0	0	113	W240 S241	S238-W240 PolarHBondContact O-N 3.48Å; S238-W240 VanDerWaalsContact O-N 3.17Å; S238-S241 WeakPolarHBondContact O-CB 3.46Å; S238-S241 PolarHBondContact O-N 3.46Å; S238-S241 PolarHBondContact O-OG 2.82Å
239	E	83	Confident	71.4	Confident	56 Å²	56	61.8 Å²	61.8	26%	0.262	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-65.3	-17.8	-174.8	-57.8	91.6	112.9	0	0	112.4	P237 S241 T242 S426 I427	P237-E239 WeakPolarHBondContact CB-OE2 3.38Å; P237-E239 PolarHBondContact O-N 2.79Å; E239-S241 PolarHBondContact O-N 2.88Å; E239-T242 WeakPolarHBondContact CA-OG1 3.43Å; E239-T242 PolarHBondContact O-N 3.25Å; E239-T242 PolarHBondContact O-OG1 2.98Å; E239-S426 VanDerWaalsContact CB-O 3.3Å; E239-S426 WeakPolarHBondContact CB-O 3.29Å; E239-I427 HydrophobicContact CB-CD1 3.64Å; E239-I427 WeakPolarHBondContact O-CD1 3.24Å
240	W	82.3	Confident	71.2	Confident	1 Å²	1	59.5 Å²	59.5	0%	0.004	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-61.4	-19	168	-75	108.8	0	0	0	113.4	P237 S238 W352 M354 L381 C400 V401 P402 W407 F422 I427	P237-W240 VanDerWaalsContact O-CD1 3.29Å; P237-W240 PolarHBondContact O-N 3.19Å; S238-W240 PolarHBondContact O-N 3.48Å; S238-W240 VanDerWaalsContact O-N 3.17Å; W240-W352 HydrophobicContact CH2-CD2 4.09Å; W240-W352 AromaticContact CH2-CE2 3.7Å; W240-W352 HydrophobicContact CH2-CE3 4.23Å; W240-W352 AromaticContact CH2-CH2 3.75Å; W240-W352 HydrophobicContact CH2-CH2 3.75Å; W240-W352 AromaticContact CH2-CZ2 3.53Å; W240-W352 HydrophobicContact CH2-CZ2 3.53Å; W240-W352 HydrophobicContact CH2-CZ3 4.09Å; W240-W352 AromaticContact CZ3-CD2 3.71Å; W240-W352 HydrophobicContact CZ3-CD2 3.71Å; W240-W352 AromaticContact CZ3-CE2 3.62Å; W240-W352 HydrophobicContact CZ3-CE3 4.09Å; W240-W352 HydrophobicContact CZ3-CG 4.12Å; W240-W352 HydrophobicContact CZ3-CH2 4.38Å; W240-W352 AromaticContact CZ3-CZ2 3.98Å; W240-W352 HydrophobicContact CZ3-CZ2 3.98Å; W240-W352 HydrophobicContact CZ3-CZ3 4.42Å; W240-W352 AromaticContact CZ3-NE1 3.91Å; W240-M354 HydrophobicContact CH2-SD 4.12Å; W240-M354 HydrophobicContact CZ2-SD 4.36Å; W240-L381 HydrophobicContact CB-CD1 4.21Å; W240-C400 PolarHBondContact NE1-O 3.27Å; W240-C400 VanDerWaalsContact NE1-O 3.13Å; W240-V401 HydrophobicContact CH2-CG2 4.48Å; W240-V401 HydrophobicContact CZ2-CG2 4.26Å; W240-P402 HydrophobicContact CB-CG 3.7Å; W240-P402 VanDerWaalsContact CD2-CD 3.46Å; W240-P402 HydrophobicContact CD2-CG 3.84Å; W240-P402 HydrophobicContact CE3-CG 4.24Å; W240-P402 HydrophobicContact CG-CG 3.61Å; W240-W407 AromaticContact CE3-CH2 3.99Å; W240-W407 HydrophobicContact CE3-CH2 3.99Å; W240-F422 HydrophobicContact CE3-CD2 4.08Å; W240-F422 HydrophobicContact CE3-CE1 4.3Å; W240-F422 AromaticContact CE3-CE2 3.52Å; W240-F422 HydrophobicContact CE3-CE2 3.52Å; W240-F422 AromaticContact CE3-CZ 3.65Å; W240-F422 HydrophobicContact CE3-CZ 3.65Å; W240-F422 AromaticContact CZ3-CD2 3.91Å; W240-F422 HydrophobicContact CZ3-CD2 3.91Å; W240-F422 AromaticContact CZ3-CE2 3.65Å; W240-F422 HydrophobicContact CZ3-CE2 3.65Å; W240-F422 HydrophobicContact CZ3-CZ 4.26Å; W240-F422 WeakPolarHBondContact O-CZ 3.05Å; W240-I427 HydrophobicContact CD2-CD1 4.23Å; W240-I427 HydrophobicContact CD2-CG1 4.49Å; W240-I427 HydrophobicContact CG-CD1 4.24Å; W240-I427 HydrophobicContact CZ2-CG2 4.16Å
241	S	76.3	Confident	70.5	Confident	81 Å²	81	59.5 Å²	59.5	57%	0.566	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-86.2	-17.2	173.6	68.1	0	0	0	0	113.8	S238 E239 A243	S238-S241 WeakPolarHBondContact O-CB 3.46Å; S238-S241 PolarHBondContact O-N 3.46Å; S238-S241 PolarHBondContact O-OG 2.82Å; E239-S241 PolarHBondContact O-N 2.88Å; S241-A243 VanDerWaalsContact C-N 3.29Å; S241-A243 PolarHBondContact O-N 2.78Å
242	T	72	Confident	69.7	Low	101 Å²	101	62.7 Å²	62.7	62%	0.62	36%	0.359	S	S	*	.			trans	-95.8	38.2	-177.7	56.9	0	0	0	0	112.2	E239 T244	E239-T242 WeakPolarHBondContact CA-OG1 3.43Å; E239-T242 PolarHBondContact O-N 3.25Å; E239-T242 PolarHBondContact O-OG1 2.98Å; T242-T244 PolarHBondContact O-N 3.42Å
243	A	72.9	Confident	69.1	Low	31 Å²	31	64.5 Å²	64.5	26%	0.256	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-61.5	130.7	175.7	0	0	0	0	0	110.8	S241 N245 P420 F422	S241-A243 VanDerWaalsContact C-N 3.29Å; S241-A243 PolarHBondContact O-N 2.78Å; A243-N245 PolarHBondContact O-N 3.39Å; A243-P420 HydrophobicContact CB-CB 3.77Å; A243-F422 HydrophobicContact CB-CD1 4.39Å; A243-F422 HydrophobicContact CB-CE1 3.61Å; A243-F422 HydrophobicContact CB-CE2 4.49Å; A243-F422 HydrophobicContact CB-CZ 3.67Å
244	T	65.1	Low	68.6	Low	85 Å²	85	65.2 Å²	65.2	52%	0.521	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-74.2	123.1	165.2	43.2	0	0	0	0	108.9	T242 F246 L421	T242-T244 PolarHBondContact O-N 3.42Å; T244-F246 PolarHBondContact O-N 3.3Å; T244-L421 PolarHBondContact OG1-O 2.8Å
245	N	57	Low	68.3	Low	134 Å²	134	65.2 Å²	65.2	72%	0.717	37%	0.373	S	S	*	.	S	Bend	trans	-66.7	127.6	163.2	-72.9	-28.2	0	0	0	108.3	A243	A243-N245 PolarHBondContact O-N 3.39Å
246	F	57.2	Low	67.1	Low	120 Å²	120	67.5 Å²	67.5	53%	0.526	39%	0.385	S	S	.	.	S	Bend	trans	83.2	150.4	173.5	-120.8	-94.3	0	0	0	119.3	T244 K417	T244-F246 PolarHBondContact O-N 3.3Å; F246-K417 VanDerWaalsContact CD2-O 3.26Å; F246-K417 WeakPolarHBondContact CD2-O 3.13Å; F246-K417 HydrophobicContact CE2-CB 3.97Å; F246-K417 HydrophobicContact CE2-CG 4.26Å; F246-K417 VanDerWaalsContact CE2-O 3.25Å; F246-K417 WeakPolarHBondContact CE2-O 3.06Å; F246-K417 HydrophobicContact CZ-CG 4.46Å
247	F	55.6	Low	66	Low	46 Å²	46	70.2 Å²	70.2	20%	0.202	40%	0.396	C	S	.	.			trans	-63.9	131.1	179.4	-93.1	-82.7	0	0	0	112.9	A251 Q252 L275 F276 L421	F247-A251 HydrophobicContact CD1-CB 4.43Å; F247-Q252 HydrophobicContact CB-CB 4.3Å; F247-Q252 HydrophobicContact CB-CG 4.38Å; F247-Q252 HydrophobicContact CD1-CB 3.45Å; F247-Q252 VanDerWaalsContact CD1-CB 3.45Å; F247-Q252 HydrophobicContact CD1-CG 3.54Å; F247-Q252 HydrophobicContact CD2-CG 4.12Å; F247-Q252 HydrophobicContact CE1-CB 3.79Å; F247-Q252 HydrophobicContact CE1-CG 3.6Å; F247-Q252 HydrophobicContact CE2-CG 4.18Å; F247-Q252 HydrophobicContact CG-CB 3.99Å; F247-Q252 HydrophobicContact CG-CG 3.79Å; F247-Q252 HydrophobicContact CZ-CG 3.9Å; F247-L275 HydrophobicContact CE1-CD2 4.41Å; F247-L275 HydrophobicContact CE2-CD2 4.45Å; F247-L275 HydrophobicContact CZ-CD2 3.7Å; F247-F276 AromaticContact CE2-CE2 3.81Å; F247-F276 HydrophobicContact CE2-CE2 3.81Å; F247-F276 AromaticContact CZ-CE2 3.5Å; F247-F276 HydrophobicContact CZ-CE2 3.5Å; F247-F276 HydrophobicContact CZ-CZ 4Å; F247-L421 HydrophobicContact CD1-CD2 4.46Å
248	T	51.9	Low	65.1	Low	86 Å²	86	77.1 Å²	77.1	53%	0.528	42%	0.419	S	S	.	.			trans	-68.8	131.6	148.4	50.9	0	0	0	0	108.6	S250 A251 Q252	T248-S250 PolarHBondContact O-N 2.83Å; T248-S250 VanDerWaalsContact O-N 3.07Å; T248-A251 PolarHBondContact O-N 2.82Å; T248-Q252 PolarHBondContact O-N 2.87Å; T248-Q252 VanDerWaalsContact O-N 3.17Å
249	E	54.9	Low	65.1	Low	151 Å²	151	73 Å²	73	71%	0.706	39%	0.39	S	S	*	.	H	α-helix	trans	-51.6	-36	179.2	-74.1	-173.3	134.6	0	0	112.1	A251 Q252 N253	E249-A251 PolarHBondContact O-N 2.82Å; E249-Q252 PolarHBondContact O-N 3.32Å; E249-N253 VanDerWaalsContact O-CB 3.31Å; E249-N253 WeakPolarHBondContact O-CB 3.39Å; E249-N253 PolarHBondContact O-N 3.46Å; E249-N253 PolarHBondContact O-ND2 2.91Å
250	S	58.2	Low	65.3	Low	90 Å²	90	73.2 Å²	73.2	63%	0.629	39%	0.39	S	S	*	.	H	α-helix	trans	-54.4	-47.4	175.3	169.7	0	0	0	0	113.8	T248 S254	T248-S250 PolarHBondContact O-N 2.83Å; T248-S250 VanDerWaalsContact O-N 3.07Å; S250-S254 PolarHBondContact O-N 2.9Å; S250-S254 PolarHBondContact O-OG 3.49Å
251	A	58	Low	65.7	Low	3 Å²	3	73.2 Å²	73.2	3%	0.025	39%	0.391	C	S	.	.	H	α-helix	trans	-72.8	-35.1	178.8	0	0	0	0	0	111.1	F247 T248 E249 S254 L255 L421	F247-A251 HydrophobicContact CD1-CB 4.43Å; T248-A251 PolarHBondContact O-N 2.82Å; E249-A251 PolarHBondContact O-N 2.82Å; A251-S254 PolarHBondContact O-N 2.84Å; A251-L255 PolarHBondContact O-N 2.77Å; A251-L421 HydrophobicContact CB-CD2 4.44Å
252	Q	60.2	Low	66.5	Low	68 Å²	68	69.4 Å²	69.4	32%	0.318	36%	0.364	S	S	.	.	H	α-helix	trans	-62.9	-53.3	174.1	-142.3	-172.2	-22	0	0	110.1	F247 T248 E249 S254 L255 I256 L275	F247-Q252 HydrophobicContact CB-CB 4.3Å; F247-Q252 HydrophobicContact CB-CG 4.38Å; F247-Q252 HydrophobicContact CD1-CB 3.45Å; F247-Q252 VanDerWaalsContact CD1-CB 3.45Å; F247-Q252 HydrophobicContact CD1-CG 3.54Å; F247-Q252 HydrophobicContact CD2-CG 4.12Å; F247-Q252 HydrophobicContact CE1-CB 3.79Å; F247-Q252 HydrophobicContact CE1-CG 3.6Å; F247-Q252 HydrophobicContact CE2-CG 4.18Å; F247-Q252 HydrophobicContact CG-CB 3.99Å; F247-Q252 HydrophobicContact CG-CG 3.79Å; F247-Q252 HydrophobicContact CZ-CG 3.9Å; T248-Q252 PolarHBondContact O-N 2.87Å; T248-Q252 VanDerWaalsContact O-N 3.17Å; E249-Q252 PolarHBondContact O-N 3.32Å; Q252-S254 PolarHBondContact O-N 2.9Å; Q252-L255 CarbonylContact O-C 3.42Å; Q252-L255 WeakPolarHBondContact O-CA 3.37Å; Q252-L255 PolarHBondContact O-N 3.35Å; Q252-I256 HydrophobicContact CB-CD1 3.84Å; Q252-I256 HydrophobicContact CB-CG1 4.4Å; Q252-I256 HydrophobicContact CG-CD1 3.54Å; Q252-I256 HydrophobicContact CG-CG1 3.84Å; Q252-I256 WeakPolarHBondContact O-CG1 3.33Å; Q252-I256 PolarHBondContact O-N 3.49Å; Q252-L275 HydrophobicContact CG-CD2 4.49Å
253	N	62.8	Low	67.5	Low	113 Å²	113	65.2 Å²	65.2	60%	0.604	34%	0.337	S	S	*	.	H	α-helix	trans	-57.7	-21	179.9	-69.2	-21.9	0	0	0	113.8	E249	E249-N253 VanDerWaalsContact O-CB 3.31Å; E249-N253 WeakPolarHBondContact O-CB 3.39Å; E249-N253 PolarHBondContact O-N 3.46Å; E249-N253 PolarHBondContact O-ND2 2.91Å
254	S	67.2	Low	68.3	Low	45 Å²	45	65.9 Å²	65.9	32%	0.315	34%	0.336	S	S	.	.	H	α-helix	trans	-81.8	-32.4	173.2	-55.5	0	0	0	0	113.3	S250 A251 Q252 L315	S250-S254 PolarHBondContact O-N 2.9Å; S250-S254 PolarHBondContact O-OG 3.49Å; A251-S254 PolarHBondContact O-N 2.84Å; Q252-S254 PolarHBondContact O-N 2.9Å; S254-L315 VanDerWaalsContact O-CD2 3.23Å; S254-L315 WeakPolarHBondContact O-CD2 3.4Å
255	L	73.1	Confident	69.4	Low	0 Å²	0	66 Å²	66	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-100.3	-7.4	178.3	-72.8	170.8	0	0	0	114.1	A251 Q252 E257 L275 F276 G290 I313 L315 F329	A251-L255 PolarHBondContact O-N 2.77Å; Q252-L255 CarbonylContact O-C 3.42Å; Q252-L255 WeakPolarHBondContact O-CA 3.37Å; Q252-L255 PolarHBondContact O-N 3.35Å; L255-E257 PolarHBondContact O-N 3.06Å; L255-L275 HydrophobicContact CB-CD1 4.24Å; L255-L275 HydrophobicContact CB-CD2 3.93Å; L255-F276 HydrophobicContact CD1-CZ 4.18Å; L255-G290 WeakPolarHBondContact O-CA 3.35Å; L255-G290 VanDerWaalsContact O-O 3.06Å; L255-I313 HydrophobicContact CD2-CG2 4.1Å; L255-L315 HydrophobicContact CD2-CD2 3.94Å; L255-L315 HydrophobicContact CG-CD2 4.43Å; L255-F329 HydrophobicContact CD1-CD1 4.34Å; L255-F329 HydrophobicContact CD1-CD2 3.92Å; L255-F329 HydrophobicContact CD1-CE1 4.07Å; L255-F329 HydrophobicContact CD1-CE2 3.6Å; L255-F329 HydrophobicContact CD1-CG 4.26Å; L255-F329 HydrophobicContact CD1-CZ 3.7Å; L255-F329 HydrophobicContact CD2-CD2 3.76Å; L255-F329 HydrophobicContact CD2-CE2 3.71Å; L255-F329 HydrophobicContact CG-CD2 4.02Å; L255-F329 HydrophobicContact CG-CE2 3.52Å; L255-F329 HydrophobicContact CG-CZ 3.97Å
256	I	56.8	Low	70.8	Confident	80 Å²	80	64.4 Å²	64.4	41%	0.41	33%	0.328	S	S	.	.			trans	-81.6	73.9	171.6	-58.6	155.6	0	0	0	108.3	Q252	Q252-I256 HydrophobicContact CB-CD1 3.84Å; Q252-I256 HydrophobicContact CB-CG1 4.4Å; Q252-I256 HydrophobicContact CG-CD1 3.54Å; Q252-I256 HydrophobicContact CG-CG1 3.84Å; Q252-I256 WeakPolarHBondContact O-CG1 3.33Å; Q252-I256 PolarHBondContact O-N 3.49Å
257	E	60.4	Low	72.2	Confident	73 Å²	73	62 Å²	62	34%	0.341	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-94.2	131.3	136.9	-70.2	-176.5	-148.8	0	0	106.8	L255 S259 F288 R317	L255-E257 PolarHBondContact O-N 3.06Å; E257-S259 PolarHBondContact O-N 2.89Å; E257-F288 VanDerWaalsContact O-CE1 3.24Å; E257-F288 WeakPolarHBondContact O-CE1 3.42Å; E257-F288 VanDerWaalsContact O-CZ 3.29Å; E257-F288 WeakPolarHBondContact O-CZ 3.05Å; E257-R317 VanDerWaalsContact CD-NH2 3.27Å; E257-R317 IonicContact OE1-CZ 3.46Å; E257-R317 IonicContact OE1-NE 2.78Å; E257-R317 PolarHBondContact OE1-NE 3.36Å; E257-R317 IonicContact OE1-NH2 3.14Å; E257-R317 PolarHBondContact OE1-NH2 3.09Å
258	R	62	Low	73.8	Confident	165 Å²	165	60.5 Å²	60.5	62%	0.623	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-59.3	137.8	167.1	-76.6	-178.1	171.4	-175.3	-6	107.1	F260	R258-F260 PolarHBondContact O-N 3.22Å
259	S	79.7	Confident	75.8	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.021	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-52.5	132.9	172.8	72.8	0	0	0	0	108.9	E257 T272 L273	E257-S259 PolarHBondContact O-N 2.89Å; S259-T272 WeakPolarHBondContact OG-CA 3.43Å; S259-T272 WeakPolarHBondContact OG-CB 3.49Å; S259-L273 WeakPolarHBondContact CB-O 3.4Å; S259-L273 PolarHBondContact OG-N 2.96Å; S259-L273 PolarHBondContact OG-O 3.15Å; S259-L273 VanDerWaalsContact OG-O 3.11Å
260	F	86.9	Confident	77.6	Confident	61 Å²	61	54.9 Å²	54.9	27%	0.268	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-50.3	137	168.8	-74.7	-87.8	0	0	0	110	R258 Y262 F653 L682	R258-F260 PolarHBondContact O-N 3.22Å; F260-Y262 PolarHBondContact O-N 3.19Å; F260-F653 HydrophobicContact CB-CD2 3.61Å; F260-F653 HydrophobicContact CB-CE2 3.33Å; F260-F653 HydrophobicContact CB-CZ 4.32Å; F260-F653 HydrophobicContact CD1-CE2 4.31Å; F260-F653 AromaticContact CD2-CE2 3.75Å; F260-F653 HydrophobicContact CD2-CE2 3.75Å; F260-F653 HydrophobicContact CD2-CZ 4.26Å; F260-F653 HydrophobicContact CG-CD2 4.3Å; F260-F653 AromaticContact CG-CE2 3.54Å; F260-F653 HydrophobicContact CG-CE2 3.54Å; F260-F653 HydrophobicContact CG-CZ 4.14Å; F260-L682 HydrophobicContact CZ-CD2 4.24Å
261	P	91.8	Very high	79.2	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.006	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-62.4	138.5	179.7	27.6	-34.4	0	0	0	109.9	W270 F271 T272 I640 C648 V651 G652 F653	P261-W270 HydrophobicContact CB-CE3 4.01Å; P261-W270 WeakPolarHBondContact O-CZ3 3.43Å; P261-F271 CarbonylContact C-O 3.53Å; P261-F271 VanDerWaalsContact CA-O 3.27Å; P261-F271 WeakPolarHBondContact CA-O 3.27Å; P261-T272 HydrophobicContact CB-CG2 4.13Å; P261-I640 HydrophobicContact CB-CB 4.49Å; P261-I640 HydrophobicContact CB-CG2 3.75Å; P261-I640 HydrophobicContact CG-CB 4.11Å; P261-I640 HydrophobicContact CG-CD1 3.89Å; P261-I640 HydrophobicContact CG-CG2 3.89Å; P261-C648 HydrophobicContact CB-CB 3.81Å; P261-C648 HydrophobicContact CG-CB 3.69Å; P261-V651 WeakPolarHBondContact CD-O 3.21Å; P261-V651 WeakPolarHBondContact CG-O 3.48Å; P261-G652 CarbonylContact O-C 3.55Å; P261-G652 WeakPolarHBondContact O-CA 3.18Å; P261-F653 PolarHBondContact O-N 2.72Å
262	Y	92.7	Very high	80.8	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.008	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	152.4	-178.6	69.2	-92.9	0	0	0	114.6	F260 L264 F271 L273 L279 I286 F653 F655 H708	F260-Y262 PolarHBondContact O-N 3.19Å; Y262-L264 HydrophobicContact CD2-CD2 4.14Å; Y262-L264 HydrophobicContact CD2-CG 4.48Å; Y262-L264 HydrophobicContact CE2-CD2 4.08Å; Y262-L264 HydrophobicContact CE2-CG 4.3Å; Y262-F271 HydrophobicContact CD1-CB 4.45Å; Y262-F271 HydrophobicContact CD2-CB 4.19Å; Y262-F271 HydrophobicContact CE1-CB 4.04Å; Y262-F271 HydrophobicContact CE2-CB 3.75Å; Y262-F271 HydrophobicContact CE2-CD2 4.28Å; Y262-F271 HydrophobicContact CE2-CG 4.3Å; Y262-F271 PolarHBondContact N-O 3.47Å; Y262-F271 PolarHBondContact O-N 3.34Å; Y262-L273 HydrophobicContact CE1-CD1 4.3Å; Y262-L273 HydrophobicContact CE1-CG 4.07Å; Y262-L279 HydrophobicContact CE2-CD2 4.35Å; Y262-I286 HydrophobicContact CD2-CD1 4.31Å; Y262-I286 HydrophobicContact CE2-CD1 3.8Å; Y262-F653 CarbonylContact C-O 3.59Å; Y262-F653 WeakPolarHBondContact CA-O 3.49Å; Y262-F653 WeakPolarHBondContact CB-O 3.48Å; Y262-F655 VanDerWaalsContact CB-CE2 3.44Å; Y262-F655 HydrophobicContact CD1-CE2 4.09Å; Y262-F655 AromaticContact CD2-CD2 3.69Å; Y262-F655 HydrophobicContact CD2-CD2 3.69Å; Y262-F655 AromaticContact CD2-CE2 3.8Å; Y262-F655 HydrophobicContact CD2-CE2 3.8Å; Y262-F655 AromaticContact CG-CD2 3.85Å; Y262-F655 HydrophobicContact CG-CD2 3.85Å; Y262-F655 AromaticContact CG-CE2 3.5Å; Y262-F655 HydrophobicContact CG-CE2 3.5Å; Y262-H708 AromaticContact CD1-NE2 3.61Å; Y262-H708 AromaticContact CE1-NE2 3.96Å
263	Q	92.4	Very high	82.2	Confident	13 Å²	13	52.8 Å²	52.8	6%	0.061	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	147.4	171	-81.6	173.3	-22.1	0	0	109.7	G268 W270 F653 L654 F655	Q263-G268 PolarHBondContact NE2-O 2.84Å; Q263-W270 HydrophobicContact CB-CE3 4.46Å; Q263-W270 HydrophobicContact CB-CZ3 4.4Å; Q263-W270 HydrophobicContact CG-CD2 3.7Å; Q263-W270 HydrophobicContact CG-CE3 3.72Å; Q263-W270 HydrophobicContact CG-CG 4.24Å; Q263-W270 HydrophobicContact CG-CH2 4.17Å; Q263-W270 HydrophobicContact CG-CZ2 4.17Å; Q263-W270 HydrophobicContact CG-CZ3 3.96Å; Q263-F653 PolarHBondContact N-O 2.96Å; Q263-L654 HydrophobicContact CB-CD1 3.57Å; Q263-F655 PolarHBondContact O-N 3.07Å
264	L	89.5	Confident	83.4	Confident	44 Å²	44	52.8 Å²	52.8	23%	0.23	29%	0.29	C	S	.	.	S	Bend	trans	-100.2	-12.7	170	-60.5	-178.9	0	0	0	113	Y262 L279 Y284 I286 F655	Y262-L264 HydrophobicContact CD2-CD2 4.14Å; Y262-L264 HydrophobicContact CD2-CG 4.48Å; Y262-L264 HydrophobicContact CE2-CD2 4.08Å; Y262-L264 HydrophobicContact CE2-CG 4.3Å; L264-L279 HydrophobicContact CD1-CD2 3.9Å; L264-Y284 HydrophobicContact CD2-CE1 4.01Å; L264-I286 HydrophobicContact CD2-CD1 3.89Å; L264-F655 HydrophobicContact CD2-CB 4.33Å; L264-F655 HydrophobicContact CD2-CD2 4.41Å
265	T	88	Confident	84.3	Confident	87 Å²	87	51.9 Å²	51.9	53%	0.534	28%	0.281	S	S	.	.	S	Bend	trans	-142.3	142.4	177.8	52.6	0	0	0	0	109.1	G267 G268	T265-G267 PolarHBondContact O-N 3.24Å; T265-G268 PolarHBondContact O-N 3.22Å
266	N	86.7	Confident	85	Confident	101 Å²	101	52.4 Å²	52.4	54%	0.54	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	120.3	-179	-173.5	57	0	0	0	110.1	G268 K634 L654	N266-G268 VanDerWaalsContact C-N 3.29Å; N266-K634 PolarHBondContact OD1-NZ 3.41Å; N266-K634 VanDerWaalsContact OD1-NZ 3.14Å; N266-L654 HydrophobicContact CB-CD2 3.82Å; N266-L654 WeakPolarHBondContact OD1-CD2 3.18Å
267	G	86.7	Confident	86.5	Confident	69 Å²	69	48.7 Å²	48.7	71%	0.711	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	6	-173.8	0	0	0	0	0	114.7	T265	T265-G267 PolarHBondContact O-N 3.24Å
268	G	90.1	Very high	88	Confident	16 Å²	16	47.1 Å²	47.1	17%	0.165	27%	0.265	C	S	.	.	S	Bend	trans	-73.6	178.1	171.2	0	0	0	0	0	113.4	Q263 T265 N266	Q263-G268 PolarHBondContact NE2-O 2.84Å; T265-G268 PolarHBondContact O-N 3.22Å; N266-G268 VanDerWaalsContact C-N 3.29Å
269	P	93.3	Very high	89.4	Confident	72 Å²	72	42.3 Å²	42.3	47%	0.468	25%	0.251	S	S	.	.			trans	-63.8	147.9	173.8	26.5	-33.6	0	0	0	112	F271 T643	P269-F271 HydrophobicContact CB-CE2 4.46Å; P269-F271 HydrophobicContact CB-CZ 4.38Å; P269-F271 HydrophobicContact CG-CE2 3.84Å; P269-F271 HydrophobicContact CG-CZ 3.68Å; P269-F271 WeakPolarHBondContact O-CD2 3.19Å; P269-F271 WeakPolarHBondContact O-CE2 3.16Å; P269-T643 HydrophobicContact CB-CG2 3.68Å
270	W	93.6	Very high	89.8	Confident	47 Å²	47	44.6 Å²	44.6	18%	0.178	27%	0.265	C	S	.	.			trans	-86.3	125.5	174.4	-72.3	103	0	0	0	110.9	P261 Q263 K634 I640 N642 T643	P261-W270 HydrophobicContact CB-CE3 4.01Å; P261-W270 WeakPolarHBondContact O-CZ3 3.43Å; Q263-W270 HydrophobicContact CB-CE3 4.46Å; Q263-W270 HydrophobicContact CB-CZ3 4.4Å; Q263-W270 HydrophobicContact CG-CD2 3.7Å; Q263-W270 HydrophobicContact CG-CE3 3.72Å; Q263-W270 HydrophobicContact CG-CG 4.24Å; Q263-W270 HydrophobicContact CG-CH2 4.17Å; Q263-W270 HydrophobicContact CG-CZ2 4.17Å; Q263-W270 HydrophobicContact CG-CZ3 3.96Å; W270-K634 HydrophobicContact CH2-CB 3.93Å; W270-K634 HydrophobicContact CH2-CG 4.18Å; W270-I640 HydrophobicContact CB-CG2 3.8Å; W270-I640 HydrophobicContact CD2-CD1 4.48Å; W270-I640 HydrophobicContact CD2-CG2 3.45Å; W270-I640 VanDerWaalsContact CD2-CG2 3.45Å; W270-I640 HydrophobicContact CE3-CD1 4.44Å; W270-I640 HydrophobicContact CE3-CG2 3.98Å; W270-I640 HydrophobicContact CG-CG2 3.36Å; W270-I640 HydrophobicContact CH2-CD1 4Å; W270-I640 HydrophobicContact CZ2-CD1 4Å; W270-I640 HydrophobicContact CZ2-CG1 4.44Å; W270-I640 HydrophobicContact CZ3-CD1 4.23Å; W270-N642 CarbonylContact O-C 3.09Å; W270-N642 WeakPolarHBondContact O-CA 3.46Å; W270-N642 WeakPolarHBondContact O-CB 3.28Å; W270-T643 PolarHBondContact O-N 3.2Å
271	F	92.2	Very high	89.7	Confident	58 Å²	58	44.9 Å²	44.9	25%	0.254	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-105.7	158.3	177.5	-59.3	-84.6	0	0	0	111	P261 Y262 P269 T643	P261-F271 CarbonylContact C-O 3.53Å; P261-F271 VanDerWaalsContact CA-O 3.27Å; P261-F271 WeakPolarHBondContact CA-O 3.27Å; Y262-F271 HydrophobicContact CD1-CB 4.45Å; Y262-F271 HydrophobicContact CD2-CB 4.19Å; Y262-F271 HydrophobicContact CE1-CB 4.04Å; Y262-F271 HydrophobicContact CE2-CB 3.75Å; Y262-F271 HydrophobicContact CE2-CD2 4.28Å; Y262-F271 HydrophobicContact CE2-CG 4.3Å; Y262-F271 PolarHBondContact N-O 3.47Å; Y262-F271 PolarHBondContact O-N 3.34Å; P269-F271 HydrophobicContact CB-CE2 4.46Å; P269-F271 HydrophobicContact CB-CZ 4.38Å; P269-F271 HydrophobicContact CG-CE2 3.84Å; P269-F271 HydrophobicContact CG-CZ 3.68Å; P269-F271 WeakPolarHBondContact O-CD2 3.19Å; P269-F271 WeakPolarHBondContact O-CE2 3.16Å; F271-T643 HydrophobicContact CD1-CG2 4.18Å; F271-T643 HydrophobicContact CE1-CG2 4.09Å
272	T	91.7	Very high	89.2	Confident	39 Å²	39	49.7 Å²	49.7	24%	0.239	30%	0.295	C	S	.	.			trans	-139.2	151.8	161.5	53.5	0	0	0	0	108.1	S259 P261 N642 C648	S259-T272 WeakPolarHBondContact OG-CA 3.43Å; S259-T272 WeakPolarHBondContact OG-CB 3.49Å; P261-T272 HydrophobicContact CB-CG2 4.13Å; T272-N642 HydrophobicContact CG2-CB 4.18Å; T272-N642 PolarHBondContact OG1-ND2 2.98Å; T272-C648 HydrophobicContact CG2-CB 4.43Å
273	L	89.3	Confident	88.9	Confident	20 Å²	20	52.1 Å²	52.1	11%	0.105	31%	0.312	C	S	.	.			trans	-104.2	136.3	168.5	-67	169.2	0	0	0	108.8	S259 Y262 L279 I286 F288	S259-L273 WeakPolarHBondContact CB-O 3.4Å; S259-L273 PolarHBondContact OG-N 2.96Å; S259-L273 PolarHBondContact OG-O 3.15Å; S259-L273 VanDerWaalsContact OG-O 3.11Å; Y262-L273 HydrophobicContact CE1-CD1 4.3Å; Y262-L273 HydrophobicContact CE1-CG 4.07Å; L273-L279 HydrophobicContact CD2-CB 4.21Å; L273-I286 HydrophobicContact CD1-CB 4.33Å; L273-I286 HydrophobicContact CD1-CG2 3.9Å; L273-F288 HydrophobicContact CB-CB 3.7Å; L273-F288 HydrophobicContact CB-CG 4.45Å; L273-F288 HydrophobicContact CD1-CB 3.97Å; L273-F288 HydrophobicContact CG-CB 4.49Å
274	D	86.6	Confident	88.7	Confident	113 Å²	113	51.9 Å²	51.9	60%	0.604	31%	0.311	S	S	*	.			trans	-63.7	165.9	162.3	-26.1	-68.4	0	0	0	109.4	F276 G277 K416	D274-F276 PolarHBondContact O-N 2.64Å; D274-G277 WeakPolarHBondContact O-CA 3.44Å; D274-G277 PolarHBondContact O-N 3.19Å; D274-K416 IonicContact OD2-NZ 3.09Å; D274-K416 PolarHBondContact OD2-NZ 3.02Å
275	L	86.7	Confident	88.9	Confident	26 Å²	26	49.8 Å²	49.8	14%	0.136	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	126.8	171.1	-173	57	0	0	0	110.9	F247 Q252 L255 G277 F288	F247-L275 HydrophobicContact CE1-CD2 4.41Å; F247-L275 HydrophobicContact CE2-CD2 4.45Å; F247-L275 HydrophobicContact CZ-CD2 3.7Å; Q252-L275 HydrophobicContact CG-CD2 4.49Å; L255-L275 HydrophobicContact CB-CD1 4.24Å; L255-L275 HydrophobicContact CB-CD2 3.93Å; L275-G277 PolarHBondContact O-N 2.93Å; L275-G277 VanDerWaalsContact O-N 3.13Å; L275-F288 HydrophobicContact CD1-CE1 4.46Å
276	F	88.3	Confident	89.2	Confident	10 Å²	10	45.7 Å²	45.7	4%	0.044	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	17.7	-174.2	-38.7	-43.6	0	0	0	115.7	F247 L255 D274 F288 W333 I350 I353	F247-F276 AromaticContact CE2-CE2 3.81Å; F247-F276 HydrophobicContact CE2-CE2 3.81Å; F247-F276 AromaticContact CZ-CE2 3.5Å; F247-F276 HydrophobicContact CZ-CE2 3.5Å; F247-F276 HydrophobicContact CZ-CZ 4Å; L255-F276 HydrophobicContact CD1-CZ 4.18Å; D274-F276 PolarHBondContact O-N 2.64Å; F276-F288 VanDerWaalsContact CA-O 3.28Å; F276-F288 WeakPolarHBondContact CA-O 3.35Å; F276-F288 PolarHBondContact N-O 3.41Å; F276-W333 HydrophobicContact CB-CH2 4.38Å; F276-W333 HydrophobicContact CD1-CZ2 4.23Å; F276-I350 HydrophobicContact CB-CB 4.26Å; F276-I350 HydrophobicContact CB-CD1 4.31Å; F276-I350 HydrophobicContact CB-CG2 3.71Å; F276-I350 HydrophobicContact CD1-CD1 3.47Å; F276-I350 VanDerWaalsContact CD1-CD1 3.47Å; F276-I350 HydrophobicContact CD2-CD1 4.14Å; F276-I350 HydrophobicContact CD2-CG2 4.34Å; F276-I350 HydrophobicContact CE1-CD1 3.75Å; F276-I350 HydrophobicContact CE2-CD1 4.35Å; F276-I350 HydrophobicContact CG-CD1 3.7Å; F276-I350 HydrophobicContact CG-CG2 4.08Å; F276-I350 HydrophobicContact CZ-CD1 4.18Å; F276-I353 HydrophobicContact CD2-CD1 4.09Å; F276-I353 HydrophobicContact CE1-CD1 4.39Å; F276-I353 HydrophobicContact CE2-CD1 3.25Å; F276-I353 HydrophobicContact CE2-CG1 4.26Å; F276-I353 HydrophobicContact CZ-CD1 3.45Å; F276-I353 VanDerWaalsContact CZ-CD1 3.45Å; F276-I353 HydrophobicContact CZ-CG1 4.05Å
277	G	88.3	Confident	89.6	Confident	3 Å²	3	40.9 Å²	40.9	3%	0.031	25%	0.249	C	C	.	.			trans	-66.3	148.5	163.9	0	0	0	0	0	111.4	D274 L275 G287 F288 K416	D274-G277 WeakPolarHBondContact O-CA 3.44Å; D274-G277 PolarHBondContact O-N 3.19Å; L275-G277 PolarHBondContact O-N 2.93Å; L275-G277 VanDerWaalsContact O-N 3.13Å; G277-G287 CarbonylContact O-C 3.57Å; G277-G287 WeakPolarHBondContact O-CA 3.49Å; G277-F288 PolarHBondContact O-N 3.21Å; G277-K416 VanDerWaalsContact CA-CE 3.45Å; G277-K416 VanDerWaalsContact CA-NZ 3.29Å
278	A	91.3	Very high	89.9	Confident	40 Å²	40	37.8 Å²	37.8	33%	0.331	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	145.3	169.8	0	0	0	0	0	110.7	I286 L348	A278-I286 CarbonylContact C-O 3.54Å; A278-I286 WeakPolarHBondContact CA-O 3.12Å; A278-L348 HydrophobicContact CB-CB 4.17Å; A278-L348 HydrophobicContact CB-CD2 4.23Å; A278-L348 HydrophobicContact CB-CG 4.12Å; A278-L348 VanDerWaalsContact CB-O 3.26Å; A278-L348 WeakPolarHBondContact CB-O 3.38Å
279	L	90.7	Very high	90	Very high	63 Å²	63	37 Å²	37	33%	0.33	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.5	167.5	178.6	67.9	0	0	0	107.9	Y262 L264 L273 C285 I286	Y262-L279 HydrophobicContact CE2-CD2 4.35Å; L264-L279 HydrophobicContact CD1-CD2 3.9Å; L273-L279 HydrophobicContact CD2-CB 4.21Å; L279-C285 CarbonylContact O-C 3.54Å; L279-C285 VanDerWaalsContact O-CA 3.24Å; L279-C285 WeakPolarHBondContact O-CA 3.43Å; L279-I286 PolarHBondContact N-O 3.48Å; L279-I286 PolarHBondContact O-N 2.92Å
280	T	89	Confident	89.8	Confident	52 Å²	52	33.7 Å²	33.7	32%	0.319	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	127.8	-173.6	52.7	0	0	0	0	111.2	C285 P346 L348	T280-C285 HydrophobicContact CG2-CB 4.28Å; T280-P346 WeakPolarHBondContact CB-O 3.33Å; T280-P346 VanDerWaalsContact CG2-O 3.22Å; T280-P346 WeakPolarHBondContact CG2-O 3.33Å; T280-L348 HydrophobicContact CG2-CB 4.15Å
281	N	85	Confident	89.4	Confident	67 Å²	67	32.2 Å²	32.2	36%	0.358	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	166.5	164.6	92.3	31.6	0	0	0	109.9	S283 Y284 P346	N281-S283 PolarHBondContact O-N 3.44Å; N281-S283 PolarHBondContact OD1-N 2.9Å; N281-S283 PolarHBondContact OD1-OG 2.89Å; N281-Y284 PolarHBondContact N-O 2.75Å; N281-Y284 PolarHBondContact O-N 3.12Å; N281-Y284 VanDerWaalsContact O-O 3.07Å; N281-Y284 PolarHBondContact OD1-N 3.02Å; N281-Y284 PolarHBondContact OD1-O 3.23Å; N281-P346 VanDerWaalsContact O-CD 3.22Å; N281-P346 WeakPolarHBondContact O-CD 3.49Å; N281-P346 WeakPolarHBondContact O-CG 3.32Å
282	N	81.9	Confident	89.2	Confident	102 Å²	102	31.1 Å²	31.1	55%	0.545	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-30.9	-171.1	-62.7	8.7	0	0	0	115.7
283	S	85.2	Confident	89.3	Confident	53 Å²	53	29.3 Å²	29.3	37%	0.371	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.7	2.2	-178.1	61.3	0	0	0	0	114.3	N281 D713	N281-S283 PolarHBondContact O-N 3.44Å; N281-S283 PolarHBondContact OD1-N 2.9Å; N281-S283 PolarHBondContact OD1-OG 2.89Å; S283-D713 PolarHBondContact O-N 2.85Å
284	Y	89.6	Confident	89.4	Confident	7 Å²	7	29.3 Å²	29.3	3%	0.027	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	134.7	-171.3	178.9	-109.4	0	0	0	112.1	L264 N281 I286 F629 P657 H710 F711 M712	L264-Y284 HydrophobicContact CD2-CE1 4.01Å; N281-Y284 PolarHBondContact N-O 2.75Å; N281-Y284 PolarHBondContact O-N 3.12Å; N281-Y284 VanDerWaalsContact O-O 3.07Å; N281-Y284 PolarHBondContact OD1-N 3.02Å; N281-Y284 PolarHBondContact OD1-O 3.23Å; Y284-I286 HydrophobicContact CD1-CG1 4.46Å; Y284-I286 HydrophobicContact CE1-CD1 3.67Å; Y284-I286 HydrophobicContact CE1-CG1 3.58Å; Y284-I286 WeakPolarHBondContact OH-CD1 3.46Å; Y284-I286 WeakPolarHBondContact OH-CG1 3.41Å; Y284-F629 HydrophobicContact CE2-CE2 4.27Å; Y284-F629 WeakPolarHBondContact OH-CE2 3.39Å; Y284-P657 HydrophobicContact CD1-CB 4.25Å; Y284-P657 HydrophobicContact CD1-CG 4.13Å; Y284-P657 HydrophobicContact CD2-CB 3.92Å; Y284-P657 HydrophobicContact CE1-CB 4.16Å; Y284-P657 HydrophobicContact CE1-CG 3.95Å; Y284-P657 HydrophobicContact CE2-CB 3.85Å; Y284-P657 HydrophobicContact CG-CB 4.12Å; Y284-P657 HydrophobicContact CG-CG 4.46Å; Y284-H710 HydrophobicContact CE2-CB 4.35Å; Y284-H710 AromaticContact CZ-ND1 3.73Å; Y284-H710 PolarHBondContact OH-CE1 3.41Å; Y284-H710 PolarHBondContact OH-ND1 3.17Å; Y284-F711 CarbonylContact C-O 3.58Å; Y284-F711 VanDerWaalsContact CA-O 3.3Å; Y284-F711 WeakPolarHBondContact CA-O 3.33Å; Y284-F711 WeakPolarHBondContact CD2-O 3.36Å; Y284-M712 HydrophobicContact CD2-CB 4.13Å; Y284-M712 HydrophobicContact CD2-CE 4.05Å; Y284-M712 HydrophobicContact CD2-CG 4.35Å; Y284-M712 HydrophobicContact CE2-CE 4.03Å
285	C	92.8	Very high	89.8	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	154.1	174.9	-48	0	0	0	0	111	L279 T280 P346 L348 H710 F711	L279-C285 CarbonylContact O-C 3.54Å; L279-C285 VanDerWaalsContact O-CA 3.24Å; L279-C285 WeakPolarHBondContact O-CA 3.43Å; T280-C285 HydrophobicContact CG2-CB 4.28Å; C285-P346 WeakPolarHBondContact SG-CG 3.45Å; C285-L348 HydrophobicContact CB-CB 4.31Å; C285-L348 HydrophobicContact CB-CD2 3.84Å; C285-H710 CarbonylContact O-C 3.59Å; C285-H710 WeakPolarHBondContact O-CA 3.39Å; C285-F711 HydrophobicContact CB-CB 4.17Å; C285-F711 PolarHBondContact N-O 2.68Å; C285-F711 PolarHBondContact O-N 3.44Å
286	I	94.3	Very high	90.3	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	124.8	170.5	-53.6	171	0	0	0	108	Y262 L264 L273 A278 L279 Y284 F655 H708 L709	Y262-I286 HydrophobicContact CD2-CD1 4.31Å; Y262-I286 HydrophobicContact CE2-CD1 3.8Å; L264-I286 HydrophobicContact CD2-CD1 3.89Å; L273-I286 HydrophobicContact CD1-CB 4.33Å; L273-I286 HydrophobicContact CD1-CG2 3.9Å; A278-I286 CarbonylContact C-O 3.54Å; A278-I286 WeakPolarHBondContact CA-O 3.12Å; L279-I286 PolarHBondContact N-O 3.48Å; L279-I286 PolarHBondContact O-N 2.92Å; Y284-I286 HydrophobicContact CD1-CG1 4.46Å; Y284-I286 HydrophobicContact CE1-CD1 3.67Å; Y284-I286 HydrophobicContact CE1-CG1 3.58Å; Y284-I286 WeakPolarHBondContact OH-CD1 3.46Å; Y284-I286 WeakPolarHBondContact OH-CG1 3.41Å; I286-F655 HydrophobicContact CD1-CD2 3.88Å; I286-F655 HydrophobicContact CD1-CE2 4.14Å; I286-H708 HydrophobicContact CG2-CB 4.05Å; I286-L709 CarbonylContact C-O 3.56Å; I286-L709 WeakPolarHBondContact CA-O 3.5Å
287	G	94.1	Very high	90.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	157	162.8	0	0	0	0	0	110.9	G277 H708 L709	G277-G287 CarbonylContact O-C 3.57Å; G277-G287 WeakPolarHBondContact O-CA 3.49Å; G287-H708 WeakPolarHBondContact O-CA 3.31Å; G287-L709 PolarHBondContact N-O 2.76Å; G287-L709 PolarHBondContact O-N 3.45Å
288	F	93.7	Very high	91	Very high	5 Å²	5	24 Å²	24	2%	0.022	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118.8	173.4	179.6	-118.7	0	0	0	112.1	E257 L273 L275 F276 G277 G707	E257-F288 VanDerWaalsContact O-CE1 3.24Å; E257-F288 WeakPolarHBondContact O-CE1 3.42Å; E257-F288 VanDerWaalsContact O-CZ 3.29Å; E257-F288 WeakPolarHBondContact O-CZ 3.05Å; L273-F288 HydrophobicContact CB-CB 3.7Å; L273-F288 HydrophobicContact CB-CG 4.45Å; L273-F288 HydrophobicContact CD1-CB 3.97Å; L273-F288 HydrophobicContact CG-CB 4.49Å; L275-F288 HydrophobicContact CD1-CE1 4.46Å; F276-F288 VanDerWaalsContact CA-O 3.28Å; F276-F288 WeakPolarHBondContact CA-O 3.35Å; F276-F288 PolarHBondContact N-O 3.41Å; G277-F288 PolarHBondContact O-N 3.21Å; F288-G707 WeakPolarHBondContact CD2-O 3.33Å
289	C	92.9	Very high	91.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.126	C	C	.	.			trans	-90.8	-5.9	-172.1	-60.3	0	0	0	0	114.7	G291 I293 I313 Q331 G707	C289-G291 PolarHBondContact O-N 3.21Å; C289-I293 HydrophobicContact CB-CD1 4.43Å; C289-I293 HydrophobicContact CB-CG1 4.29Å; C289-I313 HydrophobicContact CB-CD1 3.51Å; C289-I313 HydrophobicContact CB-CG1 4.23Å; C289-Q331 PolarHBondContact O-NE2 3.01Å; C289-G707 PolarHBondContact N-O 3.09Å
290	G	88.2	Confident	90.9	Very high	2 Å²	2	19.2 Å²	19.2	2%	0.021	11%	0.111	C	C	.	.	S	Bend	trans	82.7	1.1	178.2	0	0	0	0	0	116.4	L255	L255-G290 WeakPolarHBondContact O-CA 3.35Å; L255-G290 VanDerWaalsContact O-O 3.06Å
291	G	85.9	Confident	90.4	Very high	15 Å²	15	16.9 Å²	16.9	16%	0.155	10%	0.097	C	C	.	.	S	Bend	trans	-178	176.6	179.6	0	0	0	0	0	112.2	C289 I293 G707	C289-G291 PolarHBondContact O-N 3.21Å; G291-I293 PolarHBondContact O-N 3.08Å; G291-G707 WeakPolarHBondContact O-CA 3.39Å
292	R	88.2	Confident	89.6	Confident	36 Å²	36	15.9 Å²	15.9	14%	0.136	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	120.3	-177	173.1	177.7	-178	153.5	5.6	111.7	V294 I313 H314 F319 F686 E705	R292-V294 HydrophobicContact CG-CG2 4.08Å; R292-V294 PolarHBondContact O-N 3.36Å; R292-I313 WeakPolarHBondContact O-CA 3.49Å; R292-H314 PolarHBondContact O-N 3.43Å; R292-H314 VanDerWaalsContact O-N 3.08Å; R292-F319 VanDerWaalsContact NH1-CZ 3.33Å; R292-F686 HydrophobicContact CG-CD2 4.39Å; R292-F686 HydrophobicContact CG-CE2 4.18Å; R292-F686 VanDerWaalsContact CZ-CE2 3.44Å; R292-F686 VanDerWaalsContact NE-CE2 3.28Å; R292-F686 VanDerWaalsContact NH2-CZ 3.29Å; R292-E705 WeakPolarHBondContact CD-OE2 3.44Å; R292-E705 IonicContact CZ-OE1 2.88Å; R292-E705 IonicContact CZ-OE2 3.63Å; R292-E705 IonicContact NE-OE2 3.1Å; R292-E705 PolarHBondContact NE-OE2 3.3Å; R292-E705 IonicContact NH1-OE1 3.48Å; R292-E705 PolarHBondContact NH1-OE1 3.25Å; R292-E705 IonicContact NH1-OE2 2.88Å; R292-E705 PolarHBondContact NH1-OE2 3.01Å; R292-E705 IonicContact NH2-OE2 3.88Å; R292-E705 PolarHBondContact NH2-OE2 3.27Å
293	I	93.2	Very high	89.1	Confident	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	113.2	170.9	-63.2	166.9	0	0	0	108.2	C289 G291 L296 V311 S312 I313 F686 G704 H708 L709	C289-I293 HydrophobicContact CB-CD1 4.43Å; C289-I293 HydrophobicContact CB-CG1 4.29Å; G291-I293 PolarHBondContact O-N 3.08Å; I293-L296 HydrophobicContact CG2-CD2 4.02Å; I293-V311 HydrophobicContact CB-CG1 4.17Å; I293-V311 HydrophobicContact CD1-CG1 4.37Å; I293-V311 HydrophobicContact CG1-CG1 3.8Å; I293-V311 HydrophobicContact CG2-CG1 3.58Å; I293-S312 WeakPolarHBondContact CA-O 3.21Å; I293-I313 HydrophobicContact CB-CD1 4.34Å; I293-I313 HydrophobicContact CG1-CD1 3.6Å; I293-F686 WeakPolarHBondContact O-CD2 3.37Å; I293-G704 PolarHBondContact N-O 3.32Å; I293-G704 WeakPolarHBondContact O-CA 3.33Å; I293-H708 WeakPolarHBondContact CD1-O 3.37Å; I293-L709 HydrophobicContact CD1-CB 3.98Å
294	V	91.2	Very high	88.3	Confident	20 Å²	20	14 Å²	14	12%	0.121	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-45.1	-178.8	174.7	0	0	0	0	111.7	R292 S312 H314 L360 V361	R292-V294 HydrophobicContact CG-CG2 4.08Å; R292-V294 PolarHBondContact O-N 3.36Å; V294-S312 PolarHBondContact N-O 2.86Å; V294-H314 HydrophobicContact CG2-CB 3.47Å; V294-H314 VanDerWaalsContact CG2-CB 3.47Å; V294-L360 HydrophobicContact CB-CD1 4.37Å; V294-L360 HydrophobicContact CG1-CD1 3.73Å; V294-L360 HydrophobicContact CG1-CG 4.46Å; V294-L360 HydrophobicContact CG2-CD1 3.87Å; V294-V361 VanDerWaalsContact CG1-O 3.31Å; V294-V361 WeakPolarHBondContact CG1-O 3.48Å
295	A	94.7	Very high	87.9	Confident	6 Å²	6	20.2 Å²	20.2	5%	0.05	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	151.1	178.8	0	0	0	0	0	109.5	S312 I364	A295-S312 PolarHBondContact O-N 2.88Å; A295-I364 HydrophobicContact CB-CD1 4.23Å; A295-I364 HydrophobicContact CB-CG1 4.16Å
296	L	97.3	Very high	87.7	Confident	14 Å²	14	20.9 Å²	20.9	7%	0.073	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	152	173	66.3	85.6	0	0	0	110.8	I293 V309 L310 V311 A689 L709	I293-L296 HydrophobicContact CG2-CD2 4.02Å; L296-V309 HydrophobicContact CB-CG1 4.45Å; L296-V309 HydrophobicContact CD1-CG1 4.4Å; L296-L310 CarbonylContact C-O 3.47Å; L296-L310 WeakPolarHBondContact CA-O 3.49Å; L296-V311 HydrophobicContact CB-CG1 4.43Å; L296-V311 HydrophobicContact CB-CG2 4.31Å; L296-A689 HydrophobicContact CD1-CB 3.55Å; L296-L709 HydrophobicContact CD2-CD1 4.02Å
297	A	96.6	Very high	87.5	Confident	9 Å²	9	20.9 Å²	20.9	7%	0.074	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	127.3	-177.9	0	0	0	0	0	111.9	L310 I364 W366	A297-L310 PolarHBondContact N-O 3.07Å; A297-L310 PolarHBondContact O-N 3.14Å; A297-I364 HydrophobicContact CB-CB 4.27Å; A297-I364 HydrophobicContact CB-CG2 3.86Å; A297-I364 WeakPolarHBondContact CB-O 3.43Å; A297-W366 PolarHBondContact O-NE1 3.4Å
298	W	94.9	Very high	87.5	Confident	12 Å²	12	21.9 Å²	21.9	5%	0.045	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	127.9	174.2	-156.6	-62.6	0	0	0	110.2	P300 Q307 V309 F335 W366 A689 A696 W699 C701 F711	W298-P300 WeakPolarHBondContact O-CD 3.29Å; W298-Q307 HydrophobicContact CZ2-CB 4.05Å; W298-Q307 HydrophobicContact CZ2-CG 4.27Å; W298-V309 HydrophobicContact CD2-CG2 3.96Å; W298-V309 HydrophobicContact CE3-CG2 4.02Å; W298-V309 HydrophobicContact CG-CG2 4.26Å; W298-V309 HydrophobicContact CZ3-CG2 4.48Å; W298-F335 HydrophobicContact CH2-CD1 4.01Å; W298-F335 HydrophobicContact CH2-CE1 4.27Å; W298-F335 HydrophobicContact CZ2-CD1 4.04Å; W298-W366 VanDerWaalsContact O-CD1 3.24Å; W298-A689 HydrophobicContact CB-CB 4.06Å; W298-A696 HydrophobicContact CH2-CB 4.26Å; W298-A696 HydrophobicContact CZ2-CB 3.64Å; W298-W699 HydrophobicContact CH2-CB 3.92Å; W298-C701 HydrophobicContact CE3-CB 4.2Å; W298-C701 VanDerWaalsContact CE3-SG 3.51Å; W298-C701 HydrophobicContact CZ3-CB 3.87Å; W298-F711 AromaticContact CH2-CD1 3.96Å; W298-F711 HydrophobicContact CH2-CD1 3.96Å; W298-F711 AromaticContact CH2-CE1 3.87Å; W298-F711 HydrophobicContact CH2-CE1 3.87Å; W298-F711 HydrophobicContact CZ3-CD1 4.11Å; W298-F711 AromaticContact CZ3-CE1 3.96Å; W298-F711 HydrophobicContact CZ3-CE1 3.96Å
299	C	93.4	Very high	87.6	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.135	C	C	.	.			trans	-73	126.2	-178.7	-174.2	0	0	0	0	110.9	S301 Y308 W366	C299-S301 PolarHBondContact O-N 2.95Å; C299-Y308 WeakPolarHBondContact CB-O 3.44Å; C299-Y308 PolarHBondContact N-O 3.14Å; C299-W366 HydrophobicContact CB-CD2 4.13Å; C299-W366 HydrophobicContact CB-CH2 4.35Å; C299-W366 HydrophobicContact CB-CZ2 3.75Å
300	P	87.8	Confident	87.9	Confident	2 Å²	2	21.6 Å²	21.6	1%	0.013	14%	0.135	C	C	.	.			trans	-73.4	52.9	168.9	18.8	-15.2	0	0	0	111.9	R222 W298 W366 C367 G370 I692	R222-P300 VanDerWaalsContact NH2-CA 3.33Å; R222-P300 PolarHBondContact NH2-O 2.94Å; W298-P300 WeakPolarHBondContact O-CD 3.29Å; P300-W366 HydrophobicContact CG-CB 3.77Å; P300-C367 WeakPolarHBondContact CG-O 3.37Å; P300-G370 WeakPolarHBondContact O-CA 3.49Å; P300-I692 HydrophobicContact CB-CD1 3.65Å; P300-I692 HydrophobicContact CG-CD1 4.19Å
301	S	77.6	Confident	88.3	Confident	3 Å²	3	21.5 Å²	21.5	2%	0.021	13%	0.134	C	C	.	.			trans	-65.9	149.9	178.8	63.2	0	0	0	0	111.7	C299 N693	C299-S301 PolarHBondContact O-N 2.95Å; S301-N693 PolarHBondContact O-ND2 3.03Å; S301-N693 PolarHBondContact O-OD1 2.94Å; S301-N693 PolarHBondContact OG-ND2 2.59Å
302	G	69.1	Low	88.8	Confident	46 Å²	46	20.9 Å²	20.9	47%	0.474	13%	0.127	S	C	.	.			trans	-80.5	-0.8	169.7	0	0	0	0	0	114.1	S304 F372	G302-S304 PolarHBondContact O-N 3.47Å; G302-F372 VanDerWaalsContact CA-CZ 3.49Å; G302-F372 VanDerWaalsContact N-CD1 3.25Å
303	C	69.7	Low	89	Confident	23 Å²	23	19.1 Å²	19.1	16%	0.155	12%	0.12	C	C	.	.			trans	-73.4	125.4	-176.7	-62.4	0	0	0	0	111.3	A306 Q307	C303-A306 VanDerWaalsContact CB-O 3.25Å; C303-A306 WeakPolarHBondContact CB-O 3.45Å; C303-Q307 PolarHBondContact O-NE2 2.86Å
304	S	69.4	Low	88.6	Confident	94 Å²	94	20.2 Å²	20.2	66%	0.657	13%	0.126	S	C	*	.	S	Bend	trans	-71.7	-25.1	178.4	47.7	0	0	0	0	114.4	G302 N695	G302-S304 PolarHBondContact O-N 3.47Å; S304-N695 WeakPolarHBondContact O-CB 3.3Å; S304-N695 PolarHBondContact O-ND2 3.06Å
305	E	81.6	Confident	88	Confident	137 Å²	137	21.2 Å²	21.2	64%	0.64	13%	0.13	S	C	*	.	S	Bend	trans	-107.4	-71.1	-176.6	-63	-177.8	174.7	0	0	111.7	N695	E305-N695 PolarHBondContact O-ND2 2.74Å
306	A	87.7	Confident	86.7	Confident	14 Å²	14	24.3 Å²	24.3	12%	0.116	15%	0.146	C	C	.	.			trans	-78.2	124.7	-177	0	0	0	0	0	112.6	C303 Y308 M334 Q336	C303-A306 VanDerWaalsContact CB-O 3.25Å; C303-A306 WeakPolarHBondContact CB-O 3.45Å; A306-Y308 HydrophobicContact CB-CE2 4.01Å; A306-Y308 WeakPolarHBondContact O-CE2 3.13Å; A306-M334 HydrophobicContact CB-CG 3.91Å; A306-M334 HydrophobicContact CB-SD 3.88Å; A306-Q336 HydrophobicContact CB-CG 4.16Å
307	Q	91.5	Very high	84.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	159.7	170.5	-55.8	-56.7	-71.1	0	0	110.3	W298 C303 M334 F335 N693 N695 A696	W298-Q307 HydrophobicContact CZ2-CB 4.05Å; W298-Q307 HydrophobicContact CZ2-CG 4.27Å; C303-Q307 PolarHBondContact O-NE2 2.86Å; Q307-M334 CarbonylContact O-C 3.57Å; Q307-M334 WeakPolarHBondContact O-CA 3.12Å; Q307-F335 WeakPolarHBondContact CA-O 3.13Å; Q307-F335 HydrophobicContact CB-CB 4.4Å; Q307-F335 HydrophobicContact CB-CD1 4.36Å; Q307-F335 WeakPolarHBondContact CB-O 3.33Å; Q307-F335 PolarHBondContact N-O 2.7Å; Q307-F335 PolarHBondContact O-N 3.2Å; Q307-N693 PolarHBondContact OE1-ND2 3.41Å; Q307-N695 VanDerWaalsContact CD-OD1 3.29Å; Q307-N695 PolarHBondContact NE2-ND2 3.04Å; Q307-N695 PolarHBondContact NE2-OD1 2.81Å; Q307-A696 HydrophobicContact CG-CB 3.9Å
308	Y	93.6	Very high	82.1	Confident	21 Å²	21	32.8 Å²	32.8	8%	0.082	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	138.4	-178.8	-59.8	-92.8	0	0	0	110.7	C299 A306 L332 W333 M334 V351 L384	C299-Y308 WeakPolarHBondContact CB-O 3.44Å; C299-Y308 PolarHBondContact N-O 3.14Å; A306-Y308 HydrophobicContact CB-CE2 4.01Å; A306-Y308 WeakPolarHBondContact O-CE2 3.13Å; Y308-L332 HydrophobicContact CD1-CD2 3.8Å; Y308-L332 HydrophobicContact CD1-CG 4.16Å; Y308-L332 HydrophobicContact CE1-CD2 4.48Å; Y308-L332 HydrophobicContact CG-CD2 4.48Å; Y308-W333 CarbonylContact C-O 3.57Å; Y308-W333 VanDerWaalsContact CA-O 3.25Å; Y308-W333 WeakPolarHBondContact CA-O 3.14Å; Y308-M334 HydrophobicContact CD1-CB 4.13Å; Y308-M334 HydrophobicContact CD1-CG 4.28Å; Y308-M334 HydrophobicContact CE1-CB 3.95Å; Y308-M334 HydrophobicContact CE1-CG 3.79Å; Y308-V351 HydrophobicContact CD1-CG2 4.15Å; Y308-V351 HydrophobicContact CE1-CG2 4.14Å; Y308-L384 HydrophobicContact CD1-CD2 3.99Å; Y308-L384 HydrophobicContact CD2-CD1 3.67Å; Y308-L384 HydrophobicContact CD2-CD2 4Å; Y308-L384 HydrophobicContact CD2-CG 4.43Å; Y308-L384 HydrophobicContact CE1-CD2 4.36Å; Y308-L384 HydrophobicContact CE2-CD1 3.74Å; Y308-L384 HydrophobicContact CE2-CD2 4.4Å; Y308-L384 HydrophobicContact CG-CD1 4.32Å; Y308-L384 HydrophobicContact CG-CD2 3.78Å
309	V	96.1	Very high	79.7	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.8	173.6	178	0	0	0	0	108.1	L296 W298 V311 W333 F711	L296-V309 HydrophobicContact CB-CG1 4.45Å; L296-V309 HydrophobicContact CD1-CG1 4.4Å; W298-V309 HydrophobicContact CD2-CG2 3.96Å; W298-V309 HydrophobicContact CE3-CG2 4.02Å; W298-V309 HydrophobicContact CG-CG2 4.26Å; W298-V309 HydrophobicContact CZ3-CG2 4.48Å; V309-V311 HydrophobicContact CG1-CG2 4.18Å; V309-W333 PolarHBondContact N-O 2.85Å; V309-W333 PolarHBondContact O-N 3.48Å; V309-F711 HydrophobicContact CB-CZ 4.08Å; V309-F711 HydrophobicContact CG2-CE1 3.7Å; V309-F711 HydrophobicContact CG2-CZ 3.59Å
310	L	97.6	Very high	77.4	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	137.4	174.6	-178.4	61.3	0	0	0	109.2	L296 A297 F330 Q331 L332 W352 I364 W366 F387	L296-L310 CarbonylContact C-O 3.47Å; L296-L310 WeakPolarHBondContact CA-O 3.49Å; A297-L310 PolarHBondContact N-O 3.07Å; A297-L310 PolarHBondContact O-N 3.14Å; L310-F330 HydrophobicContact CD1-CB 4.1Å; L310-F330 HydrophobicContact CD1-CD1 4.43Å; L310-Q331 WeakPolarHBondContact CA-O 3.48Å; L310-L332 HydrophobicContact CB-CD1 4.14Å; L310-L332 HydrophobicContact CD1-CD1 4.34Å; L310-W352 HydrophobicContact CD1-CH2 3.69Å; L310-W352 HydrophobicContact CD1-CZ2 4.33Å; L310-W352 HydrophobicContact CD1-CZ3 4.4Å; L310-I364 HydrophobicContact CD2-CG2 3.85Å; L310-I364 HydrophobicContact CG-CD1 4.41Å; L310-I364 HydrophobicContact CG-CG2 4.41Å; L310-W366 HydrophobicContact CB-CZ2 3.76Å; L310-W366 HydrophobicContact CD2-CZ2 4.06Å; L310-F387 HydrophobicContact CD2-CB 4.07Å; L310-F387 HydrophobicContact CD2-CD1 3.3Å; L310-F387 HydrophobicContact CD2-CD2 3.63Å; L310-F387 HydrophobicContact CD2-CE1 3.44Å; L310-F387 VanDerWaalsContact CD2-CE1 3.44Å; L310-F387 HydrophobicContact CD2-CE2 3.79Å; L310-F387 HydrophobicContact CD2-CG 3.39Å; L310-F387 HydrophobicContact CD2-CZ 3.68Å
311	V	97.6	Very high	75.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.6	-174.7	-168.4	0	0	0	0	109.8	I293 L296 V309 I313 F330 Q331 L709	I293-V311 HydrophobicContact CB-CG1 4.17Å; I293-V311 HydrophobicContact CD1-CG1 4.37Å; I293-V311 HydrophobicContact CG1-CG1 3.8Å; I293-V311 HydrophobicContact CG2-CG1 3.58Å; L296-V311 HydrophobicContact CB-CG1 4.43Å; L296-V311 HydrophobicContact CB-CG2 4.31Å; V309-V311 HydrophobicContact CG1-CG2 4.18Å; V311-I313 HydrophobicContact CG1-CD1 3.67Å; V311-F330 CarbonylContact O-C 3.52Å; V311-F330 WeakPolarHBondContact O-CA 3.16Å; V311-Q331 PolarHBondContact N-O 2.72Å; V311-Q331 PolarHBondContact O-N 3.31Å; V311-L709 HydrophobicContact CG2-CD1 4.32Å; V311-L709 HydrophobicContact CG2-CD2 4.03Å
312	S	95.9	Very high	74.7	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.007	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.2	167.2	154.1	0	0	0	0	109.4	I293 V294 A295 V361 I364	I293-S312 WeakPolarHBondContact CA-O 3.21Å; V294-S312 PolarHBondContact N-O 2.86Å; A295-S312 PolarHBondContact O-N 2.88Å; S312-V361 PolarHBondContact OG-O 3.2Å; S312-I364 VanDerWaalsContact CB-CD1 3.49Å
313	I	92.7	Very high	74.5	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.6	174.1	-51.9	-57.4	0	0	0	109.4	L255 C289 R292 I293 V311 G328 F329 Q331	L255-I313 HydrophobicContact CD2-CG2 4.1Å; C289-I313 HydrophobicContact CB-CD1 3.51Å; C289-I313 HydrophobicContact CB-CG1 4.23Å; R292-I313 WeakPolarHBondContact O-CA 3.49Å; I293-I313 HydrophobicContact CB-CD1 4.34Å; I293-I313 HydrophobicContact CG1-CD1 3.6Å; V311-I313 HydrophobicContact CG1-CD1 3.67Å; I313-G328 WeakPolarHBondContact O-CA 3.35Å; I313-F329 HydrophobicContact CB-CB 4.34Å; I313-F329 PolarHBondContact N-O 2.86Å; I313-F329 PolarHBondContact O-N 2.89Å; I313-Q331 HydrophobicContact CG1-CG 4.28Å
314	H	85.6	Confident	74.8	Confident	23 Å²	23	53.3 Å²	53.3	11%	0.106	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132.4	174.9	-170.2	-113.6	0	0	0	110.4	R292 V294 D316 L360	R292-H314 PolarHBondContact O-N 3.43Å; R292-H314 VanDerWaalsContact O-N 3.08Å; V294-H314 HydrophobicContact CG2-CB 3.47Å; V294-H314 VanDerWaalsContact CG2-CB 3.47Å; H314-D316 WeakPolarHBondContact CE1-CB 3.41Å; H314-L360 HydrophobicContact CB-CD1 4.2Å
315	L	77	Confident	75.5	Confident	41 Å²	41	52.2 Å²	52.2	22%	0.215	28%	0.275	C	S	.	.			trans	-89.2	-20.3	-174.2	-70.5	179.6	0	0	0	114.8	S254 L255 R317 L327 F329	S254-L315 VanDerWaalsContact O-CD2 3.23Å; S254-L315 WeakPolarHBondContact O-CD2 3.4Å; L255-L315 HydrophobicContact CD2-CD2 3.94Å; L255-L315 HydrophobicContact CG-CD2 4.43Å; L315-R317 PolarHBondContact O-N 3.22Å; L315-L327 HydrophobicContact CD1-CB 4.09Å; L315-L327 HydrophobicContact CD1-CD2 3.51Å; L315-L327 HydrophobicContact CD1-CG 3.62Å; L315-F329 HydrophobicContact CD1-CE2 3.79Å; L315-F329 HydrophobicContact CD2-CD2 4.44Å; L315-F329 HydrophobicContact CD2-CE2 3.98Å; L315-F329 HydrophobicContact CG-CD2 4.41Å; L315-F329 HydrophobicContact CG-CE2 4.01Å
316	D	69.2	Low	75.6	Confident	71 Å²	71	46.8 Å²	46.8	38%	0.38	26%	0.256	S	S	.	.			trans	-69.5	119.2	-179.2	-166.4	-11.4	0	0	0	109.8	H314 G318 T320	H314-D316 WeakPolarHBondContact CE1-CB 3.41Å; D316-G318 PolarHBondContact O-N 3.38Å; D316-G318 VanDerWaalsContact O-N 3.14Å; D316-G318 PolarHBondContact OD1-N 2.83Å; D316-T320 VanDerWaalsContact CG-OG1 3.31Å; D316-T320 PolarHBondContact OD1-OG1 2.86Å; D316-T320 WeakPolarHBondContact OD2-CB 3.17Å; D316-T320 PolarHBondContact OD2-OG1 2.91Å
317	R	51.7	Low	75.5	Confident	192 Å²	192	48.9 Å²	48.9	73%	0.725	27%	0.265	S	S	*	.	S	Bend	trans	-67.5	-1.7	172.9	-64.2	-177.3	176.3	164.2	3.8	113	E257 L315	E257-R317 VanDerWaalsContact CD-NH2 3.27Å; E257-R317 IonicContact OE1-CZ 3.46Å; E257-R317 IonicContact OE1-NE 2.78Å; E257-R317 PolarHBondContact OE1-NE 3.36Å; E257-R317 IonicContact OE1-NH2 3.14Å; E257-R317 PolarHBondContact OE1-NH2 3.09Å; L315-R317 PolarHBondContact O-N 3.22Å
318	G	45.3	Very low	75.5	Confident	8 Å²	8	48.9 Å²	48.9	8%	0.082	27%	0.265	C	S	.	.	S	Bend	trans	-103.2	148.3	171.1	0	0	0	0	0	113.4	D316 T320	D316-G318 PolarHBondContact O-N 3.38Å; D316-G318 VanDerWaalsContact O-N 3.14Å; D316-G318 PolarHBondContact OD1-N 2.83Å; G318-T320 WeakPolarHBondContact CA-OG1 3.23Å; G318-T320 PolarHBondContact O-N 2.94Å
319	F	44.8	Very low	75.5	Confident	110 Å²	110	47.9 Å²	47.9	48%	0.482	26%	0.261	S	S	.	.			trans	-68.5	49.9	151	-70.4	-98.3	0	0	0	110.3	R292 L321 Y681	R292-F319 VanDerWaalsContact NH1-CZ 3.33Å; F319-L321 VanDerWaalsContact C-N 3.28Å; F319-L321 PolarHBondContact O-N 2.87Å; F319-Y681 HydrophobicContact CZ-CD2 4.45Å
320	T	43.8	Very low	75.5	Confident	55 Å²	55	47.9 Å²	47.9	34%	0.337	26%	0.261	S	S	.	.			trans	-78.2	86.5	-179.1	-25.5	0	0	0	0	106.7	D316 G318 Q322	D316-T320 VanDerWaalsContact CG-OG1 3.31Å; D316-T320 PolarHBondContact OD1-OG1 2.86Å; D316-T320 WeakPolarHBondContact OD2-CB 3.17Å; D316-T320 PolarHBondContact OD2-OG1 2.91Å; G318-T320 WeakPolarHBondContact CA-OG1 3.23Å; G318-T320 PolarHBondContact O-N 2.94Å; T320-Q322 HydrophobicContact CG2-CG 4.12Å; T320-Q322 PolarHBondContact O-N 2.88Å
321	L	51.6	Low	75.3	Confident	113 Å²	113	47.9 Å²	47.9	59%	0.592	26%	0.261	S	S	*	.			trans	-67.8	37.1	178.7	-64	173.9	0	0	0	112.6	F319 R440	F319-L321 VanDerWaalsContact C-N 3.28Å; F319-L321 PolarHBondContact O-N 2.87Å; L321-R440 VanDerWaalsContact CD2-NH1 3.3Å
322	Q	57.5	Low	75.2	Confident	149 Å²	149	48 Å²	48	70%	0.696	26%	0.261	S	S	*	.			trans	-78.7	128.9	174.5	-71.2	-177	0.8	0	0	108.7	T320	T320-Q322 HydrophobicContact CG2-CG 4.12Å; T320-Q322 PolarHBondContact O-N 2.88Å
323	S	65.4	Low	75.2	Confident	62 Å²	62	47.9 Å²	47.9	43%	0.434	26%	0.261	S	S	.	.			trans	-66.5	154.5	164.6	-47.2	0	0	0	0	110.1	R440	S323-R440 WeakPolarHBondContact OG-CG 3.21Å
324	G	75.8	Confident	75.1	Confident	29 Å²	29	48 Å²	48	30%	0.299	26%	0.261	S	S	.	.	S	Bend	trans	119.8	-175.5	175.9	0	0	0	0	0	113.6	S392 I393	G324-S392 PolarHBondContact N-O 2.91Å; G324-S392 PolarHBondContact O-OG 2.92Å; G324-I393 VanDerWaalsContact C-CG2 3.47Å; G324-I393 WeakPolarHBondContact O-CG2 3.03Å
325	A	84.1	Confident	75.5	Confident	70 Å²	70	46.9 Å²	46.9	58%	0.579	26%	0.256	S	S	*	.			trans	-72.9	152.2	-179.7	0	0	0	0	0	111.3	N357 I393	A325-N357 VanDerWaalsContact CA-O 3.27Å; A325-N357 WeakPolarHBondContact CA-O 3.38Å; A325-N357 VanDerWaalsContact CB-O 3.28Å; A325-N357 WeakPolarHBondContact CB-O 3.37Å; A325-I393 HydrophobicContact CB-CG2 4.19Å
326	G	83.7	Confident	76.1	Confident	23 Å²	23	47.2 Å²	47.2	24%	0.237	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-178.2	155.8	-179.6	0	0	0	0	0	111.7	N357 F358 G359	G326-N357 VanDerWaalsContact C-OD1 3.26Å; G326-N357 WeakPolarHBondContact CA-OD1 3.38Å; G326-N357 PolarHBondContact N-O 3.1Å; G326-N357 VanDerWaalsContact N-O 3.11Å; G326-N357 PolarHBondContact N-OD1 3.33Å; G326-N357 VanDerWaalsContact N-OD1 3.13Å; G326-N357 CarbonylContact O-C 3.55Å; G326-N357 WeakPolarHBondContact O-CA 3.36Å; G326-N357 PolarHBondContact O-OD1 2.85Å; G326-F358 PolarHBondContact O-N 3.06Å; G326-G359 VanDerWaalsContact O-CA 3.25Å; G326-G359 WeakPolarHBondContact O-CA 3.34Å; G326-G359 PolarHBondContact O-N 2.91Å
327	L	86.1	Confident	77	Confident	59 Å²	59	44.7 Å²	44.7	31%	0.309	24%	0.244	S	C	.	.			trans	-76.5	130.2	-173.9	-171	62.9	0	0	0	111.8	L315 Q355	L315-L327 HydrophobicContact CD1-CB 4.09Å; L315-L327 HydrophobicContact CD1-CD2 3.51Å; L315-L327 HydrophobicContact CD1-CG 3.62Å; L327-Q355 HydrophobicContact CD1-CG 3.42Å; L327-Q355 VanDerWaalsContact CD1-CG 3.42Å; L327-Q355 VanDerWaalsContact CD1-NE2 3.34Å
328	G	89.7	Confident	78.4	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	179	170.9	0	0	0	0	0	111.5	I313 H356	I313-G328 WeakPolarHBondContact O-CA 3.35Å; G328-H356 VanDerWaalsContact CA-CE1 3.45Å; G328-H356 WeakPolarHBondContact CA-CE1 3.33Å; G328-H356 PolarHBondContact N-O 3.33Å; G328-H356 PolarHBondContact O-N 3.31Å
329	F	93.5	Very high	79.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	141.3	-179.3	-57	-90.3	0	0	0	112.3	L255 I313 L315 I353 M354 Q355 H356	L255-F329 HydrophobicContact CD1-CD1 4.34Å; L255-F329 HydrophobicContact CD1-CD2 3.92Å; L255-F329 HydrophobicContact CD1-CE1 4.07Å; L255-F329 HydrophobicContact CD1-CE2 3.6Å; L255-F329 HydrophobicContact CD1-CG 4.26Å; L255-F329 HydrophobicContact CD1-CZ 3.7Å; L255-F329 HydrophobicContact CD2-CD2 3.76Å; L255-F329 HydrophobicContact CD2-CE2 3.71Å; L255-F329 HydrophobicContact CG-CD2 4.02Å; L255-F329 HydrophobicContact CG-CE2 3.52Å; L255-F329 HydrophobicContact CG-CZ 3.97Å; I313-F329 HydrophobicContact CB-CB 4.34Å; I313-F329 PolarHBondContact N-O 2.86Å; I313-F329 PolarHBondContact O-N 2.89Å; L315-F329 HydrophobicContact CD1-CE2 3.79Å; L315-F329 HydrophobicContact CD2-CD2 4.44Å; L315-F329 HydrophobicContact CD2-CE2 3.98Å; L315-F329 HydrophobicContact CG-CD2 4.41Å; L315-F329 HydrophobicContact CG-CE2 4.01Å; F329-I353 HydrophobicContact CB-CG2 4.36Å; F329-I353 HydrophobicContact CD1-CG2 3.7Å; F329-I353 HydrophobicContact CE1-CG2 4.4Å; F329-I353 HydrophobicContact CG-CG2 4.33Å; F329-M354 CarbonylContact C-O 3.5Å; F329-M354 WeakPolarHBondContact CA-O 3.42Å; F329-Q355 HydrophobicContact CD1-CB 3.77Å; F329-Q355 HydrophobicContact CD1-CG 4.04Å; F329-Q355 HydrophobicContact CE1-CB 3.69Å; F329-Q355 HydrophobicContact CE1-CG 3.64Å; F329-Q355 HydrophobicContact CZ-CG 4.27Å; F329-H356 PolarHBondContact N-NE2 3.18Å
330	F	96.1	Very high	80.4	Confident	0 Å²	0	42 Å²	42	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	135.1	154.6	-65.3	-70.6	0	0	0	109.2	L310 V311 W352 M354 H356 F358 V361 I364 F387 A389 Y399	L310-F330 HydrophobicContact CD1-CB 4.1Å; L310-F330 HydrophobicContact CD1-CD1 4.43Å; V311-F330 CarbonylContact O-C 3.52Å; V311-F330 WeakPolarHBondContact O-CA 3.16Å; F330-W352 HydrophobicContact CB-CH2 4.21Å; F330-W352 HydrophobicContact CB-CZ3 3.87Å; F330-M354 HydrophobicContact CB-CB 4.4Å; F330-M354 HydrophobicContact CB-CE 4.38Å; F330-M354 HydrophobicContact CD2-CE 3.38Å; F330-M354 HydrophobicContact CE2-CE 4.01Å; F330-M354 HydrophobicContact CG-CE 4.21Å; F330-M354 PolarHBondContact N-O 2.78Å; F330-M354 PolarHBondContact O-N 2.85Å; F330-H356 AromaticContact CD2-CD2 3.37Å; F330-H356 WeakPolarHBondContact CD2-CD2 3.33Å; F330-H356 HydrophobicContact CE2-CB 4.36Å; F330-H356 AromaticContact CE2-CD2 3.37Å; F330-H356 WeakPolarHBondContact CE2-CD2 3.28Å; F330-F358 HydrophobicContact CE2-CD2 4.28Å; F330-F358 HydrophobicContact CE2-CE2 4.4Å; F330-V361 HydrophobicContact CE1-CG1 3.93Å; F330-V361 HydrophobicContact CE1-CG2 4.43Å; F330-V361 HydrophobicContact CZ-CG1 4.09Å; F330-V361 HydrophobicContact CZ-CG2 3.95Å; F330-I364 HydrophobicContact CD1-CD1 4.02Å; F330-I364 HydrophobicContact CE1-CD1 3.86Å; F330-I364 HydrophobicContact CE1-CG1 4.14Å; F330-F387 HydrophobicContact CD1-CE2 4.22Å; F330-F387 HydrophobicContact CD1-CZ 4.28Å; F330-F387 HydrophobicContact CD2-CZ 4.49Å; F330-F387 AromaticContact CE1-CE2 3.88Å; F330-F387 HydrophobicContact CE1-CE2 3.88Å; F330-F387 HydrophobicContact CE1-CZ 4.34Å; F330-F387 HydrophobicContact CG-CZ 4.35Å; F330-F387 HydrophobicContact CZ-CE2 4.03Å; F330-F387 HydrophobicContact CZ-CZ 4.48Å; F330-A389 HydrophobicContact CE1-CB 4Å; F330-A389 HydrophobicContact CZ-CB 3.7Å; F330-Y399 HydrophobicContact CE2-CE2 4.45Å
331	Q	95	Very high	81.2	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128.4	172.8	-63.7	178.2	5.2	0	0	109.3	C289 L310 V311 I313 W333 I350 I353	C289-Q331 PolarHBondContact O-NE2 3.01Å; L310-Q331 WeakPolarHBondContact CA-O 3.48Å; V311-Q331 PolarHBondContact N-O 2.72Å; V311-Q331 PolarHBondContact O-N 3.31Å; I313-Q331 HydrophobicContact CG1-CG 4.28Å; Q331-W333 VanDerWaalsContact OE1-NE1 3.1Å; Q331-I350 HydrophobicContact CB-CD1 4.27Å; Q331-I350 HydrophobicContact CG-CD1 4.23Å; Q331-I353 HydrophobicContact CG-CG1 4.35Å; Q331-I353 HydrophobicContact CG-CG2 4.39Å
332	L	95.3	Very high	81.8	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	126.4	170	-167.7	75.9	0	0	0	109.4	Y308 L310 V351 W352 W366 L384 V401	Y308-L332 HydrophobicContact CD1-CD2 3.8Å; Y308-L332 HydrophobicContact CD1-CG 4.16Å; Y308-L332 HydrophobicContact CE1-CD2 4.48Å; Y308-L332 HydrophobicContact CG-CD2 4.48Å; L310-L332 HydrophobicContact CB-CD1 4.14Å; L310-L332 HydrophobicContact CD1-CD1 4.34Å; L332-V351 HydrophobicContact CB-CB 4.22Å; L332-V351 HydrophobicContact CD2-CB 4.18Å; L332-V351 HydrophobicContact CD2-CG1 4.15Å; L332-V351 HydrophobicContact CD2-CG2 4.4Å; L332-V351 HydrophobicContact CG-CB 4.34Å; L332-V351 HydrophobicContact CG-CG2 4.37Å; L332-V351 WeakPolarHBondContact O-CB 3.35Å; L332-V351 WeakPolarHBondContact O-CG2 3.39Å; L332-V351 PolarHBondContact O-N 3.33Å; L332-W352 HydrophobicContact CB-CD2 3.78Å; L332-W352 HydrophobicContact CB-CE3 4.34Å; L332-W352 HydrophobicContact CB-CG 4.21Å; L332-W352 HydrophobicContact CB-CH2 4.16Å; L332-W352 HydrophobicContact CB-CZ2 3.58Å; L332-W352 HydrophobicContact CB-CZ3 4.5Å; L332-W352 HydrophobicContact CD1-CZ2 4.45Å; L332-W352 HydrophobicContact CD2-CZ2 4.17Å; L332-W352 VanDerWaalsContact CD2-NE1 3.27Å; L332-W352 HydrophobicContact CG-CZ2 4.29Å; L332-W352 PolarHBondContact N-O 3.09Å; L332-W352 VanDerWaalsContact N-O 3.14Å; L332-W366 HydrophobicContact CD1-CH2 4.3Å; L332-W366 HydrophobicContact CD1-CZ2 3.9Å; L332-L384 HydrophobicContact CD2-CD2 3.72Å; L332-V401 HydrophobicContact CD2-CG1 4.14Å
333	W	94.6	Very high	82.4	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134.3	176.8	-72.4	77.2	0	0	0	109.6	F276 Y308 V309 Q331 L348 E349 I350 L709	F276-W333 HydrophobicContact CB-CH2 4.38Å; F276-W333 HydrophobicContact CD1-CZ2 4.23Å; Y308-W333 CarbonylContact C-O 3.57Å; Y308-W333 VanDerWaalsContact CA-O 3.25Å; Y308-W333 WeakPolarHBondContact CA-O 3.14Å; V309-W333 PolarHBondContact N-O 2.85Å; V309-W333 PolarHBondContact O-N 3.48Å; Q331-W333 VanDerWaalsContact OE1-NE1 3.1Å; W333-L348 HydrophobicContact CB-CD1 4.4Å; W333-L348 HydrophobicContact CE3-CD1 3.81Å; W333-L348 HydrophobicContact CE3-CG 4.02Å; W333-L348 HydrophobicContact CZ3-CG 4.26Å; W333-E349 CarbonylContact C-O 3.54Å; W333-E349 WeakPolarHBondContact CA-O 3.38Å; W333-I350 HydrophobicContact CD2-CB 4.31Å; W333-I350 HydrophobicContact CE3-CB 4.38Å; W333-I350 HydrophobicContact CH2-CB 4.49Å; W333-I350 HydrophobicContact CZ2-CB 4.39Å; W333-I350 HydrophobicContact CZ2-CD1 4.25Å; W333-I350 HydrophobicContact CZ3-CB 4.47Å; W333-L709 HydrophobicContact CB-CD2 4.12Å; W333-L709 HydrophobicContact CD2-CD2 3.93Å; W333-L709 HydrophobicContact CG-CD2 3.72Å
334	M	92.5	Very high	83.1	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.5	172.6	-171.5	-74.6	-69.4	0	0	108.7	A306 Q307 Y308 Q336 R347 L348 E349 V351	A306-M334 HydrophobicContact CB-CG 3.91Å; A306-M334 HydrophobicContact CB-SD 3.88Å; Q307-M334 CarbonylContact O-C 3.57Å; Q307-M334 WeakPolarHBondContact O-CA 3.12Å; Y308-M334 HydrophobicContact CD1-CB 4.13Å; Y308-M334 HydrophobicContact CD1-CG 4.28Å; Y308-M334 HydrophobicContact CE1-CB 3.95Å; Y308-M334 HydrophobicContact CE1-CG 3.79Å; M334-Q336 HydrophobicContact CE-CB 4.45Å; M334-Q336 HydrophobicContact CE-CG 4.15Å; M334-Q336 VanDerWaalsContact CE-OE1 3.3Å; M334-Q336 HydrophobicContact SD-CB 3.99Å; M334-Q336 HydrophobicContact SD-CG 3.56Å; M334-Q336 VanDerWaalsContact SD-CG 3.56Å; M334-R347 HydrophobicContact CE-CG 4.16Å; M334-L348 WeakPolarHBondContact O-CA 3.45Å; M334-E349 HydrophobicContact CB-CG 4.3Å; M334-E349 HydrophobicContact CE-CG 3.97Å; M334-E349 WeakPolarHBondContact CE-OE1 3.07Å; M334-E349 PolarHBondContact N-O 3.2Å; M334-E349 PolarHBondContact O-N 2.87Å; M334-V351 HydrophobicContact CB-CG2 3.5Å; M334-V351 VanDerWaalsContact N-CG2 3.35Å
335	F	92.3	Very high	83.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	120.9	175.4	175.8	-110	0	0	0	110	W298 Q307 P337 P346 R347 L348 W699 F711	W298-F335 HydrophobicContact CH2-CD1 4.01Å; W298-F335 HydrophobicContact CH2-CE1 4.27Å; W298-F335 HydrophobicContact CZ2-CD1 4.04Å; Q307-F335 WeakPolarHBondContact CA-O 3.13Å; Q307-F335 HydrophobicContact CB-CB 4.4Å; Q307-F335 HydrophobicContact CB-CD1 4.36Å; Q307-F335 WeakPolarHBondContact CB-O 3.33Å; Q307-F335 PolarHBondContact N-O 2.7Å; Q307-F335 PolarHBondContact O-N 3.2Å; F335-P337 HydrophobicContact CE1-CB 3.77Å; F335-P337 HydrophobicContact CE1-CG 4.2Å; F335-P337 HydrophobicContact CZ-CB 4Å; F335-P346 HydrophobicContact CE2-CB 3.92Å; F335-P346 HydrophobicContact CZ-CB 4.24Å; F335-R347 CarbonylContact C-O 3.58Å; F335-R347 WeakPolarHBondContact CA-O 3.42Å; F335-L348 HydrophobicContact CB-CD1 4.45Å; F335-W699 HydrophobicContact CE1-CB 4.37Å; F335-W699 AromaticContact CE1-CD2 3.77Å; F335-W699 HydrophobicContact CE1-CD2 3.77Å; F335-W699 AromaticContact CE1-CE3 3.95Å; F335-W699 HydrophobicContact CE1-CE3 3.95Å; F335-W699 AromaticContact CE1-CG 3.97Å; F335-W699 HydrophobicContact CE1-CG 3.97Å; F335-W699 HydrophobicContact CE2-CE3 4.21Å; F335-W699 HydrophobicContact CE2-CH2 4.44Å; F335-W699 HydrophobicContact CE2-CZ3 4.09Å; F335-W699 AromaticContact CZ-CD2 3.51Å; F335-W699 HydrophobicContact CZ-CD2 3.51Å; F335-W699 AromaticContact CZ-CE2 3.81Å; F335-W699 AromaticContact CZ-CE3 3.37Å; F335-W699 HydrophobicContact CZ-CE3 3.37Å; F335-W699 HydrophobicContact CZ-CG 4.21Å; F335-W699 AromaticContact CZ-CH2 3.88Å; F335-W699 HydrophobicContact CZ-CH2 3.88Å; F335-W699 AromaticContact CZ-CZ2 3.99Å; F335-W699 HydrophobicContact CZ-CZ2 3.99Å; F335-W699 AromaticContact CZ-CZ3 3.57Å; F335-W699 HydrophobicContact CZ-CZ3 3.57Å; F335-F711 HydrophobicContact CB-CD1 4.2Å; F335-F711 HydrophobicContact CB-CE1 3.63Å; F335-F711 HydrophobicContact CB-CZ 3.96Å; F335-F711 AromaticContact CD1-CD1 3.84Å; F335-F711 HydrophobicContact CD1-CD1 3.84Å; F335-F711 AromaticContact CD1-CE1 3.92Å; F335-F711 HydrophobicContact CD1-CE1 3.92Å; F335-F711 HydrophobicContact CD2-CB 4.48Å; F335-F711 AromaticContact CD2-CD1 3.75Å; F335-F711 HydrophobicContact CD2-CD1 3.75Å; F335-F711 HydrophobicContact CD2-CE1 4.06Å; F335-F711 HydrophobicContact CD2-CG 4.04Å; F335-F711 HydrophobicContact CE1-CD1 4.15Å; F335-F711 HydrophobicContact CE2-CB 4.19Å; F335-F711 HydrophobicContact CE2-CD1 4.07Å; F335-F711 HydrophobicContact CE2-CG 4.23Å; F335-F711 AromaticContact CG-CD1 3.63Å; F335-F711 HydrophobicContact CG-CD1 3.63Å; F335-F711 AromaticContact CG-CE1 3.58Å; F335-F711 HydrophobicContact CG-CE1 3.58Å; F335-F711 HydrophobicContact CG-CG 4.38Å; F335-F711 HydrophobicContact CG-CZ 4.28Å; F335-F711 HydrophobicContact CZ-CD1 4.28Å
336	Q	90.7	Very high	83.7	Confident	48 Å²	48	44.5 Å²	44.5	22%	0.224	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	102.5	173.3	-96.4	167.2	-28	0	0	107.7	A306 M334 P346 R347	A306-Q336 HydrophobicContact CB-CG 4.16Å; M334-Q336 HydrophobicContact CE-CB 4.45Å; M334-Q336 HydrophobicContact CE-CG 4.15Å; M334-Q336 VanDerWaalsContact CE-OE1 3.3Å; M334-Q336 HydrophobicContact SD-CB 3.99Å; M334-Q336 HydrophobicContact SD-CG 3.56Å; M334-Q336 VanDerWaalsContact SD-CG 3.56Å; Q336-P346 CarbonylContact O-C 3.52Å; Q336-P346 WeakPolarHBondContact O-CA 3.38Å; Q336-P346 WeakPolarHBondContact O-CB 3.28Å; Q336-R347 HydrophobicContact CB-CB 4.14Å; Q336-R347 PolarHBondContact N-O 2.82Å; Q336-R347 PolarHBondContact O-N 2.96Å; Q336-R347 VanDerWaalsContact OE1-NH1 3.12Å
337	P	87.7	Confident	84	Confident	19 Å²	19	46.7 Å²	46.7	12%	0.123	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-63.8	143.9	173.5	27.3	-33.3	0	0	0	109.8	F335 N695 A696 W699	F335-P337 HydrophobicContact CE1-CB 3.77Å; F335-P337 HydrophobicContact CE1-CG 4.2Å; F335-P337 HydrophobicContact CZ-CB 4Å; P337-N695 HydrophobicContact CG-CB 4.41Å; P337-N695 WeakPolarHBondContact CG-O 3.35Å; P337-A696 HydrophobicContact CG-CB 4.27Å; P337-W699 HydrophobicContact CB-CZ2 4.49Å
338	S	81.3	Confident	84.3	Confident	28 Å²	28	44.2 Å²	44.2	20%	0.196	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-71.1	140.2	174.5	-174.6	0	0	0	0	110.9	T340 V344	S338-T340 PolarHBondContact O-N 3.1Å; S338-V344 WeakPolarHBondContact CB-O 3.26Å; S338-V344 PolarHBondContact OG-O 3.46Å
339	P	69.9	Low	84.3	Confident	84 Å²	84	44.6 Å²	44.6	55%	0.545	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-56.5	132.9	163.7	-18.9	30.6	0	0	0	109.8	T341 S342	P339-T341 PolarHBondContact O-N 3.12Å; P339-S342 WeakPolarHBondContact O-CB 3.38Å; P339-S342 PolarHBondContact O-N 3.16Å
340	T	61.6	Low	84.1	Confident	142 Å²	142	45 Å²	45	87%	0.871	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-15.9	-176.2	18.7	0	0	0	0	115.1	S338	S338-T340 PolarHBondContact O-N 3.1Å
341	T	60.6	Low	83.8	Confident	145 Å²	145	45.4 Å²	45.4	89%	0.89	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-2.2	175	38.4	0	0	0	0	114.4	P339	P339-T341 PolarHBondContact O-N 3.12Å
342	S	64.7	Low	83.6	Confident	46 Å²	46	45.4 Å²	45.4	32%	0.322	26%	0.259	S	S	.	.			trans	-97.7	145	-177.2	-170.7	0	0	0	0	112.4	P339 V344	P339-S342 WeakPolarHBondContact O-CB 3.38Å; P339-S342 PolarHBondContact O-N 3.16Å; S342-V344 VanDerWaalsContact C-N 3.3Å; S342-V344 WeakPolarHBondContact OG-CB 3.49Å; S342-V344 WeakPolarHBondContact OG-CG2 3.31Å; S342-V344 PolarHBondContact OG-N 3.47Å; S342-V344 VanDerWaalsContact OG-N 3.16Å
343	Q	71	Confident	83.4	Confident	182 Å²	182	45.5 Å²	45.5	85%	0.85	26%	0.259	S	S	*	.	S	Bend	trans	-83.2	-6.6	168.4	-68.1	-171.9	-9.3	0	0	113.2
344	V	79.1	Confident	83.2	Confident	95 Å²	95	45.6 Å²	45.6	58%	0.576	26%	0.26	S	S	*	.	S	Bend	trans	-69.5	127	177	-179.1	0	0	0	0	108.6	S338 S342	S338-V344 WeakPolarHBondContact CB-O 3.26Å; S338-V344 PolarHBondContact OG-O 3.46Å; S342-V344 VanDerWaalsContact C-N 3.3Å; S342-V344 WeakPolarHBondContact OG-CB 3.49Å; S342-V344 WeakPolarHBondContact OG-CG2 3.31Å; S342-V344 PolarHBondContact OG-N 3.47Å; S342-V344 VanDerWaalsContact OG-N 3.16Å
345	P	83.2	Confident	83.2	Confident	59 Å²	59	47.4 Å²	47.4	38%	0.383	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-67.1	154.8	175	28.6	-34.7	0	0	0	110.8
346	P	89.1	Confident	83.2	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.013	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-56.9	152.4	169.5	27.9	-37.5	0	0	0	110.8	T280 N281 C285 F335 Q336 W699	T280-P346 WeakPolarHBondContact CB-O 3.33Å; T280-P346 VanDerWaalsContact CG2-O 3.22Å; T280-P346 WeakPolarHBondContact CG2-O 3.33Å; N281-P346 VanDerWaalsContact O-CD 3.22Å; N281-P346 WeakPolarHBondContact O-CD 3.49Å; N281-P346 WeakPolarHBondContact O-CG 3.32Å; C285-P346 WeakPolarHBondContact SG-CG 3.45Å; F335-P346 HydrophobicContact CE2-CB 3.92Å; F335-P346 HydrophobicContact CZ-CB 4.24Å; Q336-P346 CarbonylContact O-C 3.52Å; Q336-P346 WeakPolarHBondContact O-CA 3.38Å; Q336-P346 WeakPolarHBondContact O-CB 3.28Å; P346-W699 HydrophobicContact CB-CH2 4.31Å; P346-W699 HydrophobicContact CG-CH2 3.98Å
347	R	89.4	Confident	83.2	Confident	69 Å²	69	49.7 Å²	49.7	26%	0.26	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	136.4	-180	177.3	173.9	171.1	-140	7.2	110.3	M334 F335 Q336 E349 G408 V410	M334-R347 HydrophobicContact CE-CG 4.16Å; F335-R347 CarbonylContact C-O 3.58Å; F335-R347 WeakPolarHBondContact CA-O 3.42Å; Q336-R347 HydrophobicContact CB-CB 4.14Å; Q336-R347 PolarHBondContact N-O 2.82Å; Q336-R347 PolarHBondContact O-N 2.96Å; Q336-R347 VanDerWaalsContact OE1-NH1 3.12Å; R347-E349 VanDerWaalsContact CZ-CD 3.46Å; R347-E349 IonicContact CZ-OE1 3.39Å; R347-E349 IonicContact CZ-OE2 3.91Å; R347-E349 IonicContact NE-OE1 3.69Å; R347-E349 PolarHBondContact NE-OE1 2.88Å; R347-E349 IonicContact NE-OE2 2.73Å; R347-E349 PolarHBondContact NE-OE2 2.9Å; R347-E349 IonicContact NH1-OE1 2.75Å; R347-E349 IonicContact NH2-OE1 3.19Å; R347-E349 PolarHBondContact NH2-OE1 2.88Å; R347-E349 IonicContact NH2-OE2 3.82Å; R347-E349 PolarHBondContact NH2-OE2 2.83Å; R347-G408 PolarHBondContact NH1-O 2.92Å; R347-G408 PolarHBondContact NH2-O 3.32Å; R347-V410 PolarHBondContact NH2-O 2.88Å
348	L	92.3	Very high	83.3	Confident	7 Å²	7	50.1 Å²	50.1	4%	0.037	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	125.5	177.4	175.2	62.4	0	0	0	108.7	A278 T280 C285 W333 M334 F335 F711	A278-L348 HydrophobicContact CB-CB 4.17Å; A278-L348 HydrophobicContact CB-CD2 4.23Å; A278-L348 HydrophobicContact CB-CG 4.12Å; A278-L348 VanDerWaalsContact CB-O 3.26Å; A278-L348 WeakPolarHBondContact CB-O 3.38Å; T280-L348 HydrophobicContact CG2-CB 4.15Å; C285-L348 HydrophobicContact CB-CB 4.31Å; C285-L348 HydrophobicContact CB-CD2 3.84Å; W333-L348 HydrophobicContact CB-CD1 4.4Å; W333-L348 HydrophobicContact CE3-CD1 3.81Å; W333-L348 HydrophobicContact CE3-CG 4.02Å; W333-L348 HydrophobicContact CZ3-CG 4.26Å; M334-L348 WeakPolarHBondContact O-CA 3.45Å; F335-L348 HydrophobicContact CB-CD1 4.45Å; L348-F711 HydrophobicContact CD1-CD2 3.96Å; L348-F711 HydrophobicContact CD1-CE2 3.43Å; L348-F711 VanDerWaalsContact CD1-CE2 3.43Å; L348-F711 HydrophobicContact CD1-CZ 3.97Å; L348-F711 HydrophobicContact CD2-CD2 3.81Å; L348-F711 HydrophobicContact CD2-CE2 4.01Å; L348-F711 HydrophobicContact CG-CE2 4.39Å
349	E	89.8	Confident	83.6	Confident	9 Å²	9	49 Å²	49	4%	0.042	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	160.8	179	68.4	-161.5	-179.2	0	0	112.1	W333 M334 R347 G408	W333-E349 CarbonylContact C-O 3.54Å; W333-E349 WeakPolarHBondContact CA-O 3.38Å; M334-E349 HydrophobicContact CB-CG 4.3Å; M334-E349 HydrophobicContact CE-CG 3.97Å; M334-E349 WeakPolarHBondContact CE-OE1 3.07Å; M334-E349 PolarHBondContact N-O 3.2Å; M334-E349 PolarHBondContact O-N 2.87Å; R347-E349 VanDerWaalsContact CZ-CD 3.46Å; R347-E349 IonicContact CZ-OE1 3.39Å; R347-E349 IonicContact CZ-OE2 3.91Å; R347-E349 IonicContact NE-OE1 3.69Å; R347-E349 PolarHBondContact NE-OE1 2.88Å; R347-E349 IonicContact NE-OE2 2.73Å; R347-E349 PolarHBondContact NE-OE2 2.9Å; R347-E349 IonicContact NH1-OE1 2.75Å; R347-E349 IonicContact NH2-OE1 3.19Å; R347-E349 PolarHBondContact NH2-OE1 2.88Å; R347-E349 IonicContact NH2-OE2 3.82Å; R347-E349 PolarHBondContact NH2-OE2 2.83Å; E349-G408 WeakPolarHBondContact OE1-CA 3.45Å; E349-G408 VanDerWaalsContact OE1-O 3.07Å
350	I	90.4	Very high	84.6	Confident	9 Å²	9	46.9 Å²	46.9	5%	0.046	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	141.5	174.6	-163.9	162	0	0	0	110.7	F276 Q331 W333 I353 C419	F276-I350 HydrophobicContact CB-CB 4.26Å; F276-I350 HydrophobicContact CB-CD1 4.31Å; F276-I350 HydrophobicContact CB-CG2 3.71Å; F276-I350 HydrophobicContact CD1-CD1 3.47Å; F276-I350 VanDerWaalsContact CD1-CD1 3.47Å; F276-I350 HydrophobicContact CD2-CD1 4.14Å; F276-I350 HydrophobicContact CD2-CG2 4.34Å; F276-I350 HydrophobicContact CE1-CD1 3.75Å; F276-I350 HydrophobicContact CE2-CD1 4.35Å; F276-I350 HydrophobicContact CG-CD1 3.7Å; F276-I350 HydrophobicContact CG-CG2 4.08Å; F276-I350 HydrophobicContact CZ-CD1 4.18Å; Q331-I350 HydrophobicContact CB-CD1 4.27Å; Q331-I350 HydrophobicContact CG-CD1 4.23Å; W333-I350 HydrophobicContact CD2-CB 4.31Å; W333-I350 HydrophobicContact CE3-CB 4.38Å; W333-I350 HydrophobicContact CH2-CB 4.49Å; W333-I350 HydrophobicContact CZ2-CB 4.39Å; W333-I350 HydrophobicContact CZ2-CD1 4.25Å; W333-I350 HydrophobicContact CZ3-CB 4.47Å; I350-I353 HydrophobicContact CD1-CD1 4.04Å; I350-I353 HydrophobicContact CD1-CG1 3.55Å; I350-I353 HydrophobicContact CG1-CG1 4.37Å; I350-C419 HydrophobicContact CG2-CB 4.14Å
351	V	89.7	Confident	86.1	Confident	7 Å²	7	40.1 Å²	40.1	4%	0.042	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-45.9	-174.8	-170.5	0	0	0	0	111.2	Y308 L332 M334 W407 P420	Y308-V351 HydrophobicContact CD1-CG2 4.15Å; Y308-V351 HydrophobicContact CE1-CG2 4.14Å; L332-V351 HydrophobicContact CB-CB 4.22Å; L332-V351 HydrophobicContact CD2-CB 4.18Å; L332-V351 HydrophobicContact CD2-CG1 4.15Å; L332-V351 HydrophobicContact CD2-CG2 4.4Å; L332-V351 HydrophobicContact CG-CB 4.34Å; L332-V351 HydrophobicContact CG-CG2 4.37Å; L332-V351 WeakPolarHBondContact O-CB 3.35Å; L332-V351 WeakPolarHBondContact O-CG2 3.39Å; L332-V351 PolarHBondContact O-N 3.33Å; M334-V351 HydrophobicContact CB-CG2 3.5Å; M334-V351 VanDerWaalsContact N-CG2 3.35Å; V351-W407 HydrophobicContact CG1-CB 3.58Å; V351-W407 HydrophobicContact CG1-CD2 4.25Å; V351-W407 HydrophobicContact CG1-CE3 3.88Å; V351-W407 HydrophobicContact CG1-CG 4.2Å; V351-P420 VanDerWaalsContact O-CD 3.32Å; V351-P420 WeakPolarHBondContact O-CD 3.43Å
352	W	90.6	Very high	87.7	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	163	175.3	55.1	-107.2	0	0	0	110.7	W240 L310 F330 L332 M354 V401 W407 P420 F422	W240-W352 HydrophobicContact CH2-CD2 4.09Å; W240-W352 AromaticContact CH2-CE2 3.7Å; W240-W352 HydrophobicContact CH2-CE3 4.23Å; W240-W352 AromaticContact CH2-CH2 3.75Å; W240-W352 HydrophobicContact CH2-CH2 3.75Å; W240-W352 AromaticContact CH2-CZ2 3.53Å; W240-W352 HydrophobicContact CH2-CZ2 3.53Å; W240-W352 HydrophobicContact CH2-CZ3 4.09Å; W240-W352 AromaticContact CZ3-CD2 3.71Å; W240-W352 HydrophobicContact CZ3-CD2 3.71Å; W240-W352 AromaticContact CZ3-CE2 3.62Å; W240-W352 HydrophobicContact CZ3-CE3 4.09Å; W240-W352 HydrophobicContact CZ3-CG 4.12Å; W240-W352 HydrophobicContact CZ3-CH2 4.38Å; W240-W352 AromaticContact CZ3-CZ2 3.98Å; W240-W352 HydrophobicContact CZ3-CZ2 3.98Å; W240-W352 HydrophobicContact CZ3-CZ3 4.42Å; W240-W352 AromaticContact CZ3-NE1 3.91Å; L310-W352 HydrophobicContact CD1-CH2 3.69Å; L310-W352 HydrophobicContact CD1-CZ2 4.33Å; L310-W352 HydrophobicContact CD1-CZ3 4.4Å; F330-W352 HydrophobicContact CB-CH2 4.21Å; F330-W352 HydrophobicContact CB-CZ3 3.87Å; L332-W352 HydrophobicContact CB-CD2 3.78Å; L332-W352 HydrophobicContact CB-CE3 4.34Å; L332-W352 HydrophobicContact CB-CG 4.21Å; L332-W352 HydrophobicContact CB-CH2 4.16Å; L332-W352 HydrophobicContact CB-CZ2 3.58Å; L332-W352 HydrophobicContact CB-CZ3 4.5Å; L332-W352 HydrophobicContact CD1-CZ2 4.45Å; L332-W352 HydrophobicContact CD2-CZ2 4.17Å; L332-W352 VanDerWaalsContact CD2-NE1 3.27Å; L332-W352 HydrophobicContact CG-CZ2 4.29Å; L332-W352 PolarHBondContact N-O 3.09Å; L332-W352 VanDerWaalsContact N-O 3.14Å; W352-M354 HydrophobicContact CE3-CB 3.96Å; W352-M354 HydrophobicContact CZ3-CB 3.65Å; W352-V401 HydrophobicContact CZ2-CB 4.48Å; W352-V401 HydrophobicContact CZ2-CG1 3.68Å; W352-V401 HydrophobicContact CZ2-CG2 3.9Å; W352-W407 AromaticContact CD1-CE3 3.62Å; W352-W407 AromaticContact CD1-CZ3 3.38Å; W352-W407 HydrophobicContact CG-CZ3 4.37Å; W352-W407 AromaticContact NE1-CZ3 3.86Å; W352-P420 WeakPolarHBondContact CA-O 3.38Å; W352-P420 HydrophobicContact CB-CB 4.03Å; W352-P420 HydrophobicContact CB-CG 4.47Å; W352-F422 HydrophobicContact CB-CD2 4.46Å; W352-F422 HydrophobicContact CB-CE2 4Å; W352-F422 HydrophobicContact CG-CE2 4.42Å
353	I	90.3	Very high	89.1	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.015	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.2	174.9	-55.7	144.1	0	0	0	108.5	F276 F329 Q331 I350 P420 L421 F422	F276-I353 HydrophobicContact CD2-CD1 4.09Å; F276-I353 HydrophobicContact CE1-CD1 4.39Å; F276-I353 HydrophobicContact CE2-CD1 3.25Å; F276-I353 HydrophobicContact CE2-CG1 4.26Å; F276-I353 HydrophobicContact CZ-CD1 3.45Å; F276-I353 VanDerWaalsContact CZ-CD1 3.45Å; F276-I353 HydrophobicContact CZ-CG1 4.05Å; F329-I353 HydrophobicContact CB-CG2 4.36Å; F329-I353 HydrophobicContact CD1-CG2 3.7Å; F329-I353 HydrophobicContact CE1-CG2 4.4Å; F329-I353 HydrophobicContact CG-CG2 4.33Å; Q331-I353 HydrophobicContact CG-CG1 4.35Å; Q331-I353 HydrophobicContact CG-CG2 4.39Å; I350-I353 HydrophobicContact CD1-CD1 4.04Å; I350-I353 HydrophobicContact CD1-CG1 3.55Å; I350-I353 HydrophobicContact CG1-CG1 4.37Å; I353-P420 PolarHBondContact N-O 3.1Å; I353-L421 HydrophobicContact CB-CD1 3.85Å; I353-L421 HydrophobicContact CG2-CD1 3.69Å; I353-L421 WeakPolarHBondContact O-CA 3.4Å; I353-F422 PolarHBondContact O-N 2.97Å
354	M	92	Very high	90.4	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	114.9	174.9	-177	176.7	78.4	0	0	110.1	W240 F329 F330 W352 Y399 F422 I427	W240-M354 HydrophobicContact CH2-SD 4.12Å; W240-M354 HydrophobicContact CZ2-SD 4.36Å; F329-M354 CarbonylContact C-O 3.5Å; F329-M354 WeakPolarHBondContact CA-O 3.42Å; F330-M354 HydrophobicContact CB-CB 4.4Å; F330-M354 HydrophobicContact CB-CE 4.38Å; F330-M354 HydrophobicContact CD2-CE 3.38Å; F330-M354 HydrophobicContact CE2-CE 4.01Å; F330-M354 HydrophobicContact CG-CE 4.21Å; F330-M354 PolarHBondContact N-O 2.78Å; F330-M354 PolarHBondContact O-N 2.85Å; W352-M354 HydrophobicContact CE3-CB 3.96Å; W352-M354 HydrophobicContact CZ3-CB 3.65Å; M354-Y399 HydrophobicContact CE-CD1 4Å; M354-Y399 HydrophobicContact CE-CD2 4.18Å; M354-Y399 HydrophobicContact CE-CE1 3.71Å; M354-Y399 HydrophobicContact CE-CE2 3.91Å; M354-Y399 HydrophobicContact CE-CG 4.22Å; M354-Y399 HydrophobicContact SD-CD1 4.41Å; M354-Y399 HydrophobicContact SD-CE1 4.02Å; M354-F422 HydrophobicContact CB-CB 4.19Å; M354-F422 HydrophobicContact CG-CB 4.05Å; M354-I427 HydrophobicContact CG-CG1 4.44Å; M354-I427 HydrophobicContact SD-CB 3.62Å; M354-I427 HydrophobicContact SD-CG1 3.81Å; M354-I427 HydrophobicContact SD-CG2 4.08Å
355	Q	91.1	Very high	91.2	Very high	39 Å²	39	23.7 Å²	23.7	18%	0.182	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	141.3	175.1	-170.8	-175.3	-50	0	0	110.2	L327 F329 F422 A424	L327-Q355 HydrophobicContact CD1-CG 3.42Å; L327-Q355 VanDerWaalsContact CD1-CG 3.42Å; L327-Q355 VanDerWaalsContact CD1-NE2 3.34Å; F329-Q355 HydrophobicContact CD1-CB 3.77Å; F329-Q355 HydrophobicContact CD1-CG 4.04Å; F329-Q355 HydrophobicContact CE1-CB 3.69Å; F329-Q355 HydrophobicContact CE1-CG 3.64Å; F329-Q355 HydrophobicContact CZ-CG 4.27Å; Q355-F422 WeakPolarHBondContact CB-O 3.27Å; Q355-F422 PolarHBondContact N-O 2.86Å; Q355-A424 HydrophobicContact CB-CB 4.46Å; Q355-A424 HydrophobicContact CG-CB 4.04Å; Q355-A424 WeakPolarHBondContact O-CA 3.29Å
356	H	91.9	Very high	91.8	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.019	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	161.7	177.6	65.1	69.7	0	0	0	112.2	G328 F329 F330 F358 G359	G328-H356 VanDerWaalsContact CA-CE1 3.45Å; G328-H356 WeakPolarHBondContact CA-CE1 3.33Å; G328-H356 PolarHBondContact N-O 3.33Å; G328-H356 PolarHBondContact O-N 3.31Å; F329-H356 PolarHBondContact N-NE2 3.18Å; F330-H356 AromaticContact CD2-CD2 3.37Å; F330-H356 WeakPolarHBondContact CD2-CD2 3.33Å; F330-H356 HydrophobicContact CE2-CB 4.36Å; F330-H356 AromaticContact CE2-CD2 3.37Å; F330-H356 WeakPolarHBondContact CE2-CD2 3.28Å; H356-F358 HydrophobicContact CB-CD2 3.54Å; H356-F358 HydrophobicContact CB-CE2 3.81Å; H356-F358 HydrophobicContact CB-CG 4.29Å; H356-F358 AromaticContact CG-CD2 3.77Å; H356-F358 AromaticContact ND1-CD2 3.99Å; H356-F358 PolarHBondContact ND1-N 3.25Å; H356-G359 PolarHBondContact CE1-O 3.06Å
357	N	91	Very high	92	Very high	92 Å²	92	21.5 Å²	21.5	49%	0.492	11%	0.106	S	C	.	.			trans	-112.3	21.8	176.2	-159.2	21	0	0	0	113.5	A325 G326 G359	A325-N357 VanDerWaalsContact CA-O 3.27Å; A325-N357 WeakPolarHBondContact CA-O 3.38Å; A325-N357 VanDerWaalsContact CB-O 3.28Å; A325-N357 WeakPolarHBondContact CB-O 3.37Å; G326-N357 VanDerWaalsContact C-OD1 3.26Å; G326-N357 WeakPolarHBondContact CA-OD1 3.38Å; G326-N357 PolarHBondContact N-O 3.1Å; G326-N357 VanDerWaalsContact N-O 3.11Å; G326-N357 PolarHBondContact N-OD1 3.33Å; G326-N357 VanDerWaalsContact N-OD1 3.13Å; G326-N357 CarbonylContact O-C 3.55Å; G326-N357 WeakPolarHBondContact O-CA 3.36Å; G326-N357 PolarHBondContact O-OD1 2.85Å; N357-G359 PolarHBondContact O-N 3.17Å
358	F	91.4	Very high	91.9	Very high	29 Å²	29	19.9 Å²	19.9	13%	0.127	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-76.7	2.1	-177.9	-57.1	-47.3	0	0	0	115.5	G326 F330 H356 V361 T391 S392 I393 V397 Y399 P429	G326-F358 PolarHBondContact O-N 3.06Å; F330-F358 HydrophobicContact CE2-CD2 4.28Å; F330-F358 HydrophobicContact CE2-CE2 4.4Å; H356-F358 HydrophobicContact CB-CD2 3.54Å; H356-F358 HydrophobicContact CB-CE2 3.81Å; H356-F358 HydrophobicContact CB-CG 4.29Å; H356-F358 AromaticContact CG-CD2 3.77Å; H356-F358 AromaticContact ND1-CD2 3.99Å; H356-F358 PolarHBondContact ND1-N 3.25Å; F358-V361 HydrophobicContact CB-CG2 4.21Å; F358-T391 HydrophobicContact CB-CG2 3.68Å; F358-T391 HydrophobicContact CD1-CG2 4.32Å; F358-T391 HydrophobicContact CD2-CG2 4.32Å; F358-T391 HydrophobicContact CG-CG2 3.87Å; F358-S392 PolarHBondContact O-N 3.01Å; F358-S392 PolarHBondContact O-OG 3.17Å; F358-I393 HydrophobicContact CD1-CD1 3.74Å; F358-I393 HydrophobicContact CD1-CG1 4.37Å; F358-I393 HydrophobicContact CE1-CD1 4.33Å; F358-V397 HydrophobicContact CD2-CG2 4.17Å; F358-V397 HydrophobicContact CE1-CG1 4.06Å; F358-V397 HydrophobicContact CE2-CG1 4.44Å; F358-V397 HydrophobicContact CE2-CG2 3.88Å; F358-V397 HydrophobicContact CZ-CB 4.48Å; F358-V397 HydrophobicContact CZ-CG1 3.98Å; F358-V397 HydrophobicContact CZ-CG2 4.25Å; F358-Y399 HydrophobicContact CE2-CE2 4.05Å; F358-Y399 WeakPolarHBondContact CE2-OH 3.35Å; F358-Y399 WeakPolarHBondContact CZ-OH 3.38Å; F358-P429 HydrophobicContact CZ-CG 4.22Å
359	G	87.2	Confident	91.4	Very high	4 Å²	4	19.6 Å²	19.6	4%	0.041	10%	0.102	C	C	.	.			trans	67.7	-136.9	-172.4	0	0	0	0	0	111.9	G326 H356 N357 V361 S392	G326-G359 VanDerWaalsContact O-CA 3.25Å; G326-G359 WeakPolarHBondContact O-CA 3.34Å; G326-G359 PolarHBondContact O-N 2.91Å; H356-G359 PolarHBondContact CE1-O 3.06Å; N357-G359 PolarHBondContact O-N 3.17Å; G359-V361 PolarHBondContact O-N 3.1Å; G359-S392 VanDerWaalsContact CA-OG 3.28Å; G359-S392 WeakPolarHBondContact CA-OG 3.07Å
360	L	89.8	Confident	90.9	Very high	39 Å²	39	19.1 Å²	19.1	20%	0.204	10%	0.1	C	C	.	.			trans	-68.7	114.3	176.2	-176.2	72.3	0	0	0	109.9	V294 H314 A362 T391 S392	V294-L360 HydrophobicContact CB-CD1 4.37Å; V294-L360 HydrophobicContact CG1-CD1 3.73Å; V294-L360 HydrophobicContact CG1-CG 4.46Å; V294-L360 HydrophobicContact CG2-CD1 3.87Å; H314-L360 HydrophobicContact CB-CD1 4.2Å; L360-A362 HydrophobicContact CD2-CB 4.45Å; L360-A362 HydrophobicContact CG-CB 4.48Å; L360-T391 CarbonylContact O-C 3.41Å; L360-S392 PolarHBondContact N-OG 2.74Å; L360-S392 PolarHBondContact O-N 3.17Å
361	V	94.4	Very high	90.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.			trans	-90.9	99.3	165.4	176.6	0	0	0	0	108.4	V294 S312 F330 F358 G359 I364 A389 A390	V294-V361 VanDerWaalsContact CG1-O 3.31Å; V294-V361 WeakPolarHBondContact CG1-O 3.48Å; S312-V361 PolarHBondContact OG-O 3.2Å; F330-V361 HydrophobicContact CE1-CG1 3.93Å; F330-V361 HydrophobicContact CE1-CG2 4.43Å; F330-V361 HydrophobicContact CZ-CG1 4.09Å; F330-V361 HydrophobicContact CZ-CG2 3.95Å; F358-V361 HydrophobicContact CB-CG2 4.21Å; G359-V361 PolarHBondContact O-N 3.1Å; V361-I364 HydrophobicContact CG1-CD1 4.49Å; V361-I364 HydrophobicContact CG1-CG1 3.95Å; V361-A389 HydrophobicContact CG1-CB 3.81Å; V361-A390 CarbonylContact C-O 3.53Å; V361-A390 VanDerWaalsContact CA-O 3.26Å; V361-A390 WeakPolarHBondContact CA-O 2.93Å
362	A	92.5	Very high	90.1	Very high	20 Å²	20	19.9 Å²	19.9	17%	0.165	10%	0.103	C	C	.	.			trans	-81.9	-21.5	-166.9	0	0	0	0	0	114.5	L360 A390	L360-A362 HydrophobicContact CD2-CB 4.45Å; L360-A362 HydrophobicContact CG-CB 4.48Å; A362-A390 PolarHBondContact N-O 2.79Å
363	D	96.1	Very high	89.6	Confident	27 Å²	27	21.3 Å²	21.3	14%	0.144	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	150.2	179.8	-165.1	5.5	0	0	0	110	K365 A390 S443 I444	D363-K365 WeakPolarHBondContact OD1-CE 3.04Å; D363-K365 WeakPolarHBondContact OD2-CE 3.33Å; D363-A390 HydrophobicContact CB-CB 3.87Å; D363-A390 PolarHBondContact O-N 2.86Å; D363-S443 WeakPolarHBondContact OD2-CA 2.99Å; D363-I444 PolarHBondContact OD2-N 3.46Å
364	I	97.7	Very high	88.6	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	133.6	176.9	-63.5	165.7	0	0	0	107.9	A295 A297 L310 S312 F330 V361 F387 A388 A389	A295-I364 HydrophobicContact CB-CD1 4.23Å; A295-I364 HydrophobicContact CB-CG1 4.16Å; A297-I364 HydrophobicContact CB-CB 4.27Å; A297-I364 HydrophobicContact CB-CG2 3.86Å; A297-I364 WeakPolarHBondContact CB-O 3.43Å; L310-I364 HydrophobicContact CD2-CG2 3.85Å; L310-I364 HydrophobicContact CG-CD1 4.41Å; L310-I364 HydrophobicContact CG-CG2 4.41Å; S312-I364 VanDerWaalsContact CB-CD1 3.49Å; F330-I364 HydrophobicContact CD1-CD1 4.02Å; F330-I364 HydrophobicContact CE1-CD1 3.86Å; F330-I364 HydrophobicContact CE1-CG1 4.14Å; V361-I364 HydrophobicContact CG1-CD1 4.49Å; V361-I364 HydrophobicContact CG1-CG1 3.95Å; I364-F387 HydrophobicContact CG2-CB 4.4Å; I364-F387 HydrophobicContact CG2-CD2 4.05Å; I364-F387 HydrophobicContact CG2-CG 4.49Å; I364-A388 WeakPolarHBondContact CA-O 3.41Å; I364-A389 HydrophobicContact CG1-CB 4.48Å
365	K	96.5	Very high	87.4	Confident	76 Å²	76	35 Å²	35	33%	0.33	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	125.8	172.2	-57.5	-70.1	176.6	171.6	0	111.2	D363 F387 A388 I444 W446	D363-K365 WeakPolarHBondContact OD1-CE 3.04Å; D363-K365 WeakPolarHBondContact OD2-CE 3.33Å; K365-F387 CarbonylContact O-C 3.6Å; K365-F387 WeakPolarHBondContact O-CA 3.27Å; K365-A388 PolarHBondContact N-O 2.95Å; K365-A388 PolarHBondContact O-N 2.92Å; K365-I444 HydrophobicContact CB-CG2 4.48Å; K365-I444 WeakPolarHBondContact CE-O 3.28Å; K365-I444 HydrophobicContact CG-CB 4.44Å; K365-I444 HydrophobicContact CG-CG2 4.25Å; K365-I444 WeakPolarHBondContact CG-O 3.44Å; K365-W446 PolarHBondContact O-NE1 3.23Å; K365-W446 VanDerWaalsContact O-NE1 3.09Å
366	W	95	Very high	85.8	Confident	15 Å²	15	36.9 Å²	36.9	6%	0.057	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	148.2	163.4	-65.9	96.5	0	0	0	110.5	A297 W298 C299 P300 L310 L332 C386 F387 V401	A297-W366 PolarHBondContact O-NE1 3.4Å; W298-W366 VanDerWaalsContact O-CD1 3.24Å; C299-W366 HydrophobicContact CB-CD2 4.13Å; C299-W366 HydrophobicContact CB-CH2 4.35Å; C299-W366 HydrophobicContact CB-CZ2 3.75Å; P300-W366 HydrophobicContact CG-CB 3.77Å; L310-W366 HydrophobicContact CB-CZ2 3.76Å; L310-W366 HydrophobicContact CD2-CZ2 4.06Å; L332-W366 HydrophobicContact CD1-CH2 4.3Å; L332-W366 HydrophobicContact CD1-CZ2 3.9Å; W366-C386 WeakPolarHBondContact CA-O 3.47Å; W366-F387 HydrophobicContact CD2-CB 3.93Å; W366-F387 HydrophobicContact CE3-CB 3.89Å; W366-F387 HydrophobicContact CG-CB 4.32Å; W366-F387 HydrophobicContact CH2-CD1 4.34Å; W366-F387 HydrophobicContact CZ3-CB 4.36Å; W366-F387 HydrophobicContact CZ3-CD1 4.29Å; W366-V401 HydrophobicContact CH2-CB 4.12Å; W366-V401 HydrophobicContact CH2-CG2 3.91Å; W366-V401 HydrophobicContact CZ3-CB 4.31Å; W366-V401 HydrophobicContact CZ3-CG2 4.17Å
367	C	92	Very high	83.8	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.222	C	C	.	.			trans	-59.2	130.8	166.7	-176	0	0	0	0	109.2	P300 S369 G370 I371 C386 W446	P300-C367 WeakPolarHBondContact CG-O 3.37Å; C367-S369 VanDerWaalsContact C-N 3.27Å; C367-S369 PolarHBondContact O-N 3.37Å; C367-S369 VanDerWaalsContact O-N 3.16Å; C367-G370 WeakPolarHBondContact O-CA 3.37Å; C367-G370 PolarHBondContact O-N 2.85Å; C367-I371 HydrophobicContact CB-CD1 3.87Å; C367-I371 HydrophobicContact CB-CG1 3.97Å; C367-C386 PolarHBondContact N-O 2.73Å; C367-W446 HydrophobicContact CB-CD2 4.19Å; C367-W446 HydrophobicContact CB-CE3 4.14Å; C367-W446 HydrophobicContact CB-CH2 3.81Å; C367-W446 HydrophobicContact CB-CZ2 3.87Å; C367-W446 HydrophobicContact CB-CZ3 3.96Å
368	P	88.3	Confident	82.3	Confident	35 Å²	35	39.7 Å²	39.7	23%	0.227	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.7	-169.4	-24.4	33.1	0	0	0	115.6	R222 G370 W446	R222-P368 PolarHBondContact NE-O 3Å; P368-G370 PolarHBondContact O-N 2.8Å; P368-W446 HydrophobicContact CG-CB 3.97Å
369	S	81.8	Confident	80.7	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-10.8	172.5	58.1	0	0	0	0	113.3	H226 C367 I371 H452	H226-S369 PolarHBondContact CE1-O 2.99Å; H226-S369 PolarHBondContact ND1-O 2.96Å; C367-S369 VanDerWaalsContact C-N 3.27Å; C367-S369 PolarHBondContact O-N 3.37Å; C367-S369 VanDerWaalsContact O-N 3.16Å; S369-I371 PolarHBondContact O-N 3.12Å; S369-I371 WeakPolarHBondContact OG-CG1 3.03Å; S369-H452 VanDerWaalsContact CB-CD2 3.47Å; S369-H452 WeakPolarHBondContact CB-CD2 3.35Å; S369-H452 PolarHBondContact N-NE2 2.95Å; S369-H452 PolarHBondContact OG-CD2 3.32Å
370	G	79	Confident	79.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.296	C	S	.	.			trans	76.2	-47.7	-169.2	0	0	0	0	0	112.4	P300 C367 P368 F372 G385 C386	P300-G370 WeakPolarHBondContact O-CA 3.49Å; C367-G370 WeakPolarHBondContact O-CA 3.37Å; C367-G370 PolarHBondContact O-N 2.85Å; P368-G370 PolarHBondContact O-N 2.8Å; G370-F372 VanDerWaalsContact C-N 3.31Å; G370-G385 CarbonylContact O-C 3.55Å; G370-G385 WeakPolarHBondContact O-CA 3.45Å; G370-C386 PolarHBondContact O-N 2.75Å; G370-C386 VanDerWaalsContact O-N 3.15Å
371	I	81.8	Confident	79.1	Confident	1 Å²	1	57 Å²	57	1%	0.005	30%	0.299	C	S	.	.			trans	61.9	37.9	-171.5	-30.4	177.9	0	0	0	112.3	L230 F231 C367 S369 R383 C386	L230-I371 HydrophobicContact CB-CD1 4.23Å; L230-I371 HydrophobicContact CB-CG1 4.17Å; L230-I371 HydrophobicContact CB-CG2 3.92Å; L230-I371 WeakPolarHBondContact O-CG2 3.23Å; F231-I371 HydrophobicContact CD2-CD1 3.6Å; F231-I371 HydrophobicContact CE2-CD1 4.24Å; C367-I371 HydrophobicContact CB-CD1 3.87Å; C367-I371 HydrophobicContact CB-CG1 3.97Å; S369-I371 PolarHBondContact O-N 3.12Å; S369-I371 WeakPolarHBondContact OG-CG1 3.03Å; I371-R383 WeakPolarHBondContact O-CD 3.42Å; I371-R383 WeakPolarHBondContact O-CG 3.09Å; I371-R383 PolarHBondContact O-NE 2.91Å; I371-C386 HydrophobicContact CD1-CB 3.98Å
372	F	82.4	Confident	78.6	Confident	31 Å²	31	58 Å²	58	14%	0.136	31%	0.305	C	S	.	.			trans	-73.7	151.2	176.8	53	-91.9	0	0	0	111.8	H226 G302 G370 R383 L384	H226-F372 AromaticContact CE1-CE1 3.62Å; H226-F372 AromaticContact CE1-CZ 3.55Å; H226-F372 AromaticContact NE2-CZ 4Å; G302-F372 VanDerWaalsContact CA-CZ 3.49Å; G302-F372 VanDerWaalsContact N-CD1 3.25Å; G370-F372 VanDerWaalsContact C-N 3.31Å; F372-R383 CarbonylContact C-O 3.54Å; F372-R383 WeakPolarHBondContact CA-O 3.38Å; F372-L384 WeakPolarHBondContact CB-O 3.21Å
373	D	79.9	Confident	78.3	Confident	30 Å²	30	57.4 Å²	57.4	16%	0.16	30%	0.299	C	S	.	.			trans	-96.5	138.4	166.2	-59.9	-51.7	0	0	0	109.4	R229 P382 R383	R229-D373 IonicContact NE-OD1 3.36Å; D373-P382 HydrophobicContact CB-CB 4.04Å; D373-R383 PolarHBondContact N-O 2.76Å; D373-R383 IonicContact OD1-NH2 3.99Å; D373-R383 WeakPolarHBondContact OD2-CB 3.43Å; D373-R383 PolarHBondContact OD2-N 3.09Å
374	E	69.8	Low	77.9	Confident	132 Å²	132	56.2 Å²	56.2	62%	0.617	29%	0.293	S	S	*	.	S	Bend	trans	-72.2	-48.2	-178.6	-68.5	-176.7	150.2	0	0	111.9	Q228	Q228-E374 PolarHBondContact NE2-OE1 3.04Å; Q228-E374 PolarHBondContact NE2-OE2 2.97Å
375	E	65.9	Low	77.6	Confident	161 Å²	161	56.2 Å²	56.2	75%	0.752	29%	0.292	S	S	*	.	S	Bend	trans	-137.2	154.3	179.3	-64.6	-169.3	159.1	0	0	112.3	S377	E375-S377 PolarHBondContact O-N 3.06Å
376	S	57.4	Low	77.4	Confident	78 Å²	78	52.6 Å²	52.6	55%	0.545	28%	0.277	S	S	.	.			trans	-73	85.4	-179	51.5	0	0	0	0	112.1	G378	S376-G378 PolarHBondContact O-N 2.87Å
377	S	50	Low	77.4	Confident	94 Å²	94	51.9 Å²	51.9	66%	0.657	27%	0.274	S	S	*	.			trans	-75.3	88	172.1	51.3	0	0	0	0	111.3	E375	E375-S377 PolarHBondContact O-N 3.06Å
378	G	60.3	Low	77.7	Confident	61 Å²	61	51.9 Å²	51.9	63%	0.629	27%	0.274	S	S	*	.	S	Bend	trans	101	-162.4	174.2	0	0	0	0	0	114.4	S376 R380	S376-G378 PolarHBondContact O-N 2.87Å; G378-R380 PolarHBondContact O-N 3.44Å
379	K	57	Low	78.1	Confident	226 Å²	226	50.2 Å²	50.2	98%	0.983	26%	0.263	S	S	*	.	S	Bend	trans	-70.2	6.4	-175.6	-68.8	-172.8	175.7	-177.5	0	115.4
380	R	68.3	Low	78.8	Confident	157 Å²	157	50.2 Å²	50.2	59%	0.592	26%	0.263	S	S	*	.	S	Bend	trans	-102.6	139.8	-176.2	-70.8	178.8	174.6	171.7	-2.5	110.3	I235 G378	I235-R380 VanDerWaalsContact CD1-NH1 3.29Å; G378-R380 PolarHBondContact O-N 3.44Å
381	L	75.6	Confident	79.6	Confident	51 Å²	51	50.2 Å²	50.2	27%	0.267	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-62.6	134.6	171.4	-65.7	174.6	0	0	0	109.5	W240 P402	W240-L381 HydrophobicContact CB-CD1 4.21Å; L381-P402 HydrophobicContact CB-CB 3.64Å; L381-P402 HydrophobicContact CD1-CB 3.9Å; L381-P402 HydrophobicContact CD1-CG 4.06Å; L381-P402 HydrophobicContact CG-CB 4.41Å
382	P	82.5	Confident	80.1	Confident	21 Å²	21	50.3 Å²	50.3	14%	0.136	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-69.6	140.1	180	28.7	-31.2	0	0	0	109.6	D373 L384 P402 K403	D373-P382 HydrophobicContact CB-CB 4.04Å; P382-L384 PolarHBondContact O-N 3.1Å; P382-P402 CarbonylContact O-C 3.55Å; P382-P402 WeakPolarHBondContact O-CA 3.46Å; P382-K403 HydrophobicContact CG-CB 4.41Å; P382-K403 WeakPolarHBondContact CG-O 3.24Å; P382-K403 PolarHBondContact O-N 3.22Å
383	R	86.4	Confident	80.5	Confident	9 Å²	9	51 Å²	51	3%	0.034	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	127.3	-178	-171.3	163	46.1	175	1.1	110.7	L230 F231 L234 I371 F372 D373 C400	L230-R383 PolarHBondContact O-NH2 3.19Å; F231-R383 PolarHBondContact O-NH1 3.15Å; L234-R383 PolarHBondContact O-NH1 3.22Å; I371-R383 WeakPolarHBondContact O-CD 3.42Å; I371-R383 WeakPolarHBondContact O-CG 3.09Å; I371-R383 PolarHBondContact O-NE 2.91Å; F372-R383 CarbonylContact C-O 3.54Å; F372-R383 WeakPolarHBondContact CA-O 3.38Å; D373-R383 PolarHBondContact N-O 2.76Å; D373-R383 IonicContact OD1-NH2 3.99Å; D373-R383 WeakPolarHBondContact OD2-CB 3.43Å; D373-R383 PolarHBondContact OD2-N 3.09Å; R383-C400 VanDerWaalsContact CD-SG 3.56Å; R383-C400 HydrophobicContact CG-CB 4.41Å
384	L	88.9	Confident	81.1	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-39.3	165.7	176.4	62.2	0	0	0	110.4	Y308 L332 F372 P382 V401 K403	Y308-L384 HydrophobicContact CD1-CD2 3.99Å; Y308-L384 HydrophobicContact CD2-CD1 3.67Å; Y308-L384 HydrophobicContact CD2-CD2 4Å; Y308-L384 HydrophobicContact CD2-CG 4.43Å; Y308-L384 HydrophobicContact CE1-CD2 4.36Å; Y308-L384 HydrophobicContact CE2-CD1 3.74Å; Y308-L384 HydrophobicContact CE2-CD2 4.4Å; Y308-L384 HydrophobicContact CG-CD1 4.32Å; Y308-L384 HydrophobicContact CG-CD2 3.78Å; L332-L384 HydrophobicContact CD2-CD2 3.72Å; F372-L384 WeakPolarHBondContact CB-O 3.21Å; P382-L384 PolarHBondContact O-N 3.1Å; L384-V401 WeakPolarHBondContact CA-O 3.26Å; L384-V401 HydrophobicContact CB-CG1 4.41Å; L384-V401 WeakPolarHBondContact CB-O 3.38Å; L384-V401 HydrophobicContact CD2-CG1 4.16Å; L384-V401 PolarHBondContact N-O 2.79Å; L384-K403 HydrophobicContact CB-CB 3.98Å
385	G	91	Very high	82.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.4	-178.7	170.5	0	0	0	0	0	113.5	G370 V401	G370-G385 CarbonylContact O-C 3.55Å; G370-G385 WeakPolarHBondContact O-CA 3.45Å; G385-V401 PolarHBondContact N-O 3.45Å; G385-V401 PolarHBondContact O-N 3.02Å
386	C	92.1	Very high	83.7	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.3	175.5	-169.2	0	0	0	0	111.7	W366 C367 G370 I371 Y399 C400	W366-C386 WeakPolarHBondContact CA-O 3.47Å; C367-C386 PolarHBondContact N-O 2.73Å; G370-C386 PolarHBondContact O-N 2.75Å; G370-C386 VanDerWaalsContact O-N 3.15Å; I371-C386 HydrophobicContact CD1-CB 3.98Å; C386-Y399 WeakPolarHBondContact CA-O 3.06Å; C386-C400 VanDerWaalsContact SG-SG 3.63Å
387	F	95.9	Very high	85.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	156.5	169.8	75.5	-93.8	0	0	0	112.4	L310 F330 I364 K365 W366 A389 L398 Y399 V401	L310-F387 HydrophobicContact CD2-CB 4.07Å; L310-F387 HydrophobicContact CD2-CD1 3.3Å; L310-F387 HydrophobicContact CD2-CD2 3.63Å; L310-F387 HydrophobicContact CD2-CE1 3.44Å; L310-F387 VanDerWaalsContact CD2-CE1 3.44Å; L310-F387 HydrophobicContact CD2-CE2 3.79Å; L310-F387 HydrophobicContact CD2-CG 3.39Å; L310-F387 HydrophobicContact CD2-CZ 3.68Å; F330-F387 HydrophobicContact CD1-CE2 4.22Å; F330-F387 HydrophobicContact CD1-CZ 4.28Å; F330-F387 HydrophobicContact CD2-CZ 4.49Å; F330-F387 AromaticContact CE1-CE2 3.88Å; F330-F387 HydrophobicContact CE1-CE2 3.88Å; F330-F387 HydrophobicContact CE1-CZ 4.34Å; F330-F387 HydrophobicContact CG-CZ 4.35Å; F330-F387 HydrophobicContact CZ-CE2 4.03Å; F330-F387 HydrophobicContact CZ-CZ 4.48Å; I364-F387 HydrophobicContact CG2-CB 4.4Å; I364-F387 HydrophobicContact CG2-CD2 4.05Å; I364-F387 HydrophobicContact CG2-CG 4.49Å; K365-F387 CarbonylContact O-C 3.6Å; K365-F387 WeakPolarHBondContact O-CA 3.27Å; W366-F387 HydrophobicContact CD2-CB 3.93Å; W366-F387 HydrophobicContact CE3-CB 3.89Å; W366-F387 HydrophobicContact CG-CB 4.32Å; W366-F387 HydrophobicContact CH2-CD1 4.34Å; W366-F387 HydrophobicContact CZ3-CB 4.36Å; W366-F387 HydrophobicContact CZ3-CD1 4.29Å; F387-A389 HydrophobicContact CD2-CB 4.33Å; F387-A389 HydrophobicContact CE2-CB 4.11Å; F387-L398 VanDerWaalsContact O-CA 3.23Å; F387-L398 WeakPolarHBondContact O-CA 3.34Å; F387-Y399 VanDerWaalsContact CE1-CB 3.47Å; F387-Y399 HydrophobicContact CE1-CD2 4.48Å; F387-Y399 HydrophobicContact CE1-CG 4.26Å; F387-Y399 AromaticContact CE2-CD2 3.95Å; F387-Y399 HydrophobicContact CE2-CD2 3.95Å; F387-Y399 AromaticContact CZ-CD2 3.71Å; F387-Y399 HydrophobicContact CZ-CD2 3.71Å; F387-Y399 AromaticContact CZ-CG 3.92Å; F387-Y399 HydrophobicContact CZ-CG 3.92Å; F387-Y399 PolarHBondContact N-O 3.34Å; F387-Y399 PolarHBondContact O-N 3.45Å; F387-V401 HydrophobicContact CD1-CG2 3.67Å; F387-V401 HydrophobicContact CE1-CG2 3.54Å
388	A	97.1	Very high	87.7	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.8	169.8	0	0	0	0	0	109.7	I364 K365 V396 V397 L398 I444 W446	I364-A388 WeakPolarHBondContact CA-O 3.41Å; K365-A388 PolarHBondContact N-O 2.95Å; K365-A388 PolarHBondContact O-N 2.92Å; A388-V396 HydrophobicContact CB-CG1 4Å; A388-V397 CarbonylContact C-O 3.57Å; A388-V397 WeakPolarHBondContact CA-O 3.12Å; A388-L398 HydrophobicContact CB-CD1 4.33Å; A388-L398 HydrophobicContact CB-CG 4.03Å; A388-I444 HydrophobicContact CB-CD1 4.45Å; A388-I444 HydrophobicContact CB-CG2 4.37Å; A388-W446 HydrophobicContact CB-CZ2 4.1Å
389	A	97.8	Very high	89.3	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.6	-177	0	0	0	0	0	112.9	F330 V361 I364 F387 V396 V397	F330-A389 HydrophobicContact CE1-CB 4Å; F330-A389 HydrophobicContact CZ-CB 3.7Å; V361-A389 HydrophobicContact CG1-CB 3.81Å; I364-A389 HydrophobicContact CG1-CB 4.48Å; F387-A389 HydrophobicContact CD2-CB 4.33Å; F387-A389 HydrophobicContact CE2-CB 4.11Å; A389-V396 WeakPolarHBondContact O-CA 3.49Å; A389-V397 HydrophobicContact CB-CG2 3.97Å; A389-V397 PolarHBondContact N-O 2.83Å; A389-V397 PolarHBondContact O-N 3.15Å
390	A	96.5	Very high	90.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	105.4	-176.4	0	0	0	0	0	110.7	V361 A362 D363 I441 I444	V361-A390 CarbonylContact C-O 3.53Å; V361-A390 VanDerWaalsContact CA-O 3.26Å; V361-A390 WeakPolarHBondContact CA-O 2.93Å; A362-A390 PolarHBondContact N-O 2.79Å; D363-A390 HydrophobicContact CB-CB 3.87Å; D363-A390 PolarHBondContact O-N 2.86Å; A390-I441 HydrophobicContact CB-CB 4Å; A390-I441 HydrophobicContact CB-CG2 3.75Å; A390-I444 HydrophobicContact CB-CD1 3.61Å; A390-I444 HydrophobicContact CB-CG1 3.9Å; A390-I444 VanDerWaalsContact N-CD1 3.3Å
391	T	94.8	Very high	92	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.044	C	C	.	.			trans	-95.8	158.2	-171.7	74.5	0	0	0	0	114.3	F358 L360 I393 E395 V397 I441	F358-T391 HydrophobicContact CB-CG2 3.68Å; F358-T391 HydrophobicContact CD1-CG2 4.32Å; F358-T391 HydrophobicContact CD2-CG2 4.32Å; F358-T391 HydrophobicContact CG-CG2 3.87Å; L360-T391 CarbonylContact O-C 3.41Å; T391-I393 VanDerWaalsContact C-N 3.3Å; T391-I393 WeakPolarHBondContact OG1-CG1 3.4Å; T391-I393 PolarHBondContact OG1-N 3.49Å; T391-E395 WeakPolarHBondContact CB-O 3.33Å; T391-E395 WeakPolarHBondContact CG2-O 3.27Å; T391-E395 PolarHBondContact N-O 2.72Å; T391-E395 PolarHBondContact OG1-N 3.33Å; T391-E395 PolarHBondContact OG1-O 3.27Å; T391-V397 HydrophobicContact CG2-CG1 4.39Å; T391-V397 HydrophobicContact CG2-CG2 3.96Å; T391-I441 PolarHBondContact O-N 2.88Å
392	S	91.8	Very high	92.6	Very high	4 Å²	4	6 Å²	6	3%	0.028	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	0.1	170.6	64.2	0	0	0	0	114.7	G324 F358 G359 L360	G324-S392 PolarHBondContact N-O 2.91Å; G324-S392 PolarHBondContact O-OG 2.92Å; F358-S392 PolarHBondContact O-N 3.01Å; F358-S392 PolarHBondContact O-OG 3.17Å; G359-S392 VanDerWaalsContact CA-OG 3.28Å; G359-S392 WeakPolarHBondContact CA-OG 3.07Å; L360-S392 PolarHBondContact N-OG 2.74Å; L360-S392 PolarHBondContact O-N 3.17Å
393	I	91.7	Very high	92.6	Very high	46 Å²	46	8.9 Å²	8.9	24%	0.236	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-3.1	171.1	61.8	160.8	0	0	0	113.4	G324 A325 F358 T391 E395	G324-I393 VanDerWaalsContact C-CG2 3.47Å; G324-I393 WeakPolarHBondContact O-CG2 3.03Å; A325-I393 HydrophobicContact CB-CG2 4.19Å; F358-I393 HydrophobicContact CD1-CD1 3.74Å; F358-I393 HydrophobicContact CD1-CG1 4.37Å; F358-I393 HydrophobicContact CE1-CD1 4.33Å; T391-I393 VanDerWaalsContact C-N 3.3Å; T391-I393 WeakPolarHBondContact OG1-CG1 3.4Å; T391-I393 PolarHBondContact OG1-N 3.49Å; I393-E395 HydrophobicContact CD1-CB 4.29Å; I393-E395 HydrophobicContact CD1-CG 4.26Å; I393-E395 HydrophobicContact CG1-CB 4.33Å; I393-E395 HydrophobicContact CG1-CG 4.49Å
394	G	92.6	Very high	91.9	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.01	5%	0.051	C	C	.	.	S	Bend	trans	82.6	25.1	179.9	0	0	0	0	0	114.6	T435 T439	G394-T435 WeakPolarHBondContact O-CB 3.19Å; G394-T435 WeakPolarHBondContact O-CG2 3.42Å; G394-T435 PolarHBondContact O-OG1 3.37Å; G394-T439 VanDerWaalsContact CA-O 3.26Å; G394-T439 WeakPolarHBondContact CA-O 3.2Å
395	E	94.3	Very high	90.8	Very high	36 Å²	36	15.5 Å²	15.5	17%	0.168	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145	172.7	-63.2	-169.3	141	0	0	110.6	T391 I393 T432 L434 I441 K480	T391-E395 WeakPolarHBondContact CB-O 3.33Å; T391-E395 WeakPolarHBondContact CG2-O 3.27Å; T391-E395 PolarHBondContact N-O 2.72Å; T391-E395 PolarHBondContact OG1-N 3.33Å; T391-E395 PolarHBondContact OG1-O 3.27Å; I393-E395 HydrophobicContact CD1-CB 4.29Å; I393-E395 HydrophobicContact CD1-CG 4.26Å; I393-E395 HydrophobicContact CG1-CB 4.33Å; I393-E395 HydrophobicContact CG1-CG 4.49Å; E395-T432 HydrophobicContact CB-CG2 3.93Å; E395-T432 HydrophobicContact CG-CG2 4.11Å; E395-L434 HydrophobicContact CG-CD2 4.36Å; E395-L434 WeakPolarHBondContact OE1-CD2 3.37Å; E395-I441 VanDerWaalsContact C-CD1 3.4Å; E395-I441 WeakPolarHBondContact O-CD1 3.36Å; E395-K480 IonicContact OE1-NZ 2.77Å; E395-K480 PolarHBondContact OE1-NZ 3.21Å; E395-K480 IonicContact OE2-NZ 3.7Å
396	V	96.5	Very high	89.4	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.1	161.9	179.3	0	0	0	0	107.3	A388 A389 L398 T432 L433 I441 I444 A457 W467	A388-V396 HydrophobicContact CB-CG1 4Å; A389-V396 WeakPolarHBondContact O-CA 3.49Å; V396-L398 HydrophobicContact CG1-CD1 4.11Å; V396-T432 CarbonylContact O-C 3.58Å; V396-T432 WeakPolarHBondContact O-CA 3.45Å; V396-L433 HydrophobicContact CB-CB 3.93Å; V396-L433 HydrophobicContact CB-CD1 4Å; V396-L433 HydrophobicContact CB-CG 4.05Å; V396-L433 HydrophobicContact CG1-CD1 3.98Å; V396-L433 HydrophobicContact CG1-CG 4.31Å; V396-L433 PolarHBondContact N-O 3.02Å; V396-L433 PolarHBondContact O-N 3Å; V396-I441 HydrophobicContact CB-CD1 4.42Å; V396-I441 HydrophobicContact CG2-CD1 3.43Å; V396-I441 VanDerWaalsContact CG2-CD1 3.43Å; V396-I444 HydrophobicContact CB-CD1 4.23Å; V396-I444 HydrophobicContact CG1-CD1 3.47Å; V396-I444 VanDerWaalsContact CG1-CD1 3.47Å; V396-I444 HydrophobicContact CG1-CG1 4.43Å; V396-I444 HydrophobicContact CG2-CD1 3.87Å; V396-I444 HydrophobicContact CG2-CG1 4.2Å; V396-A457 HydrophobicContact CG2-CB 4.18Å; V396-W467 HydrophobicContact CG2-CH2 4.09Å; V396-W467 HydrophobicContact CG2-CZ3 4.35Å
397	V	95.4	Very high	88.2	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135.4	177.4	-64.2	0	0	0	0	110.2	F358 A388 A389 T391 Y399 P429	F358-V397 HydrophobicContact CD2-CG2 4.17Å; F358-V397 HydrophobicContact CE1-CG1 4.06Å; F358-V397 HydrophobicContact CE2-CG1 4.44Å; F358-V397 HydrophobicContact CE2-CG2 3.88Å; F358-V397 HydrophobicContact CZ-CB 4.48Å; F358-V397 HydrophobicContact CZ-CG1 3.98Å; F358-V397 HydrophobicContact CZ-CG2 4.25Å; A388-V397 CarbonylContact C-O 3.57Å; A388-V397 WeakPolarHBondContact CA-O 3.12Å; A389-V397 HydrophobicContact CB-CG2 3.97Å; A389-V397 PolarHBondContact N-O 2.83Å; A389-V397 PolarHBondContact O-N 3.15Å; T391-V397 HydrophobicContact CG2-CG1 4.39Å; T391-V397 HydrophobicContact CG2-CG2 3.96Å; V397-Y399 HydrophobicContact CB-CE2 4.16Å; V397-Y399 HydrophobicContact CG2-CD2 4.33Å; V397-Y399 HydrophobicContact CG2-CE2 3.85Å; V397-P429 HydrophobicContact CB-CB 4.08Å; V397-P429 HydrophobicContact CB-CG 3.88Å; V397-P429 HydrophobicContact CG1-CB 4.39Å; V397-P429 HydrophobicContact CG1-CG 3.84Å
398	L	95	Very high	86.3	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	139.6	174.7	-74.3	80.6	0	0	0	110.6	L234 F387 A388 V396 P429 C430 L431 L433 W446 I455 L469	L234-L398 HydrophobicContact CD1-CD2 4.47Å; F387-L398 VanDerWaalsContact O-CA 3.23Å; F387-L398 WeakPolarHBondContact O-CA 3.34Å; A388-L398 HydrophobicContact CB-CD1 4.33Å; A388-L398 HydrophobicContact CB-CG 4.03Å; V396-L398 HydrophobicContact CG1-CD1 4.11Å; L398-P429 CarbonylContact O-C 3.59Å; L398-P429 VanDerWaalsContact O-CA 3.25Å; L398-P429 WeakPolarHBondContact O-CA 3.2Å; L398-P429 WeakPolarHBondContact O-CB 3.41Å; L398-C430 PolarHBondContact O-N 2.88Å; L398-C430 PolarHBondContact O-SG 2.88Å; L398-C430 VanDerWaalsContact O-SG 3.34Å; L398-L431 HydrophobicContact CB-CB 4.17Å; L398-L431 HydrophobicContact CD1-CD2 4.44Å; L398-L431 HydrophobicContact CD2-CD2 4.24Å; L398-L431 PolarHBondContact N-O 3.14Å; L398-L433 HydrophobicContact CD1-CD1 3.97Å; L398-L433 HydrophobicContact CD1-CD2 4.07Å; L398-L433 HydrophobicContact CD1-CG 3.72Å; L398-W446 HydrophobicContact CD2-CH2 3.85Å; L398-W446 HydrophobicContact CD2-CZ2 3.94Å; L398-I455 HydrophobicContact CD1-CD1 4.35Å; L398-I455 HydrophobicContact CD2-CD1 4.04Å; L398-L469 HydrophobicContact CD2-CD1 4.43Å
399	Y	93.6	Very high	84.3	Confident	7 Å²	7	27.2 Å²	27.2	3%	0.027	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	130.7	177.4	-76.4	-86.2	0	0	0	110.5	F330 M354 F358 C386 F387 V397 I427 F428 P429	F330-Y399 HydrophobicContact CE2-CE2 4.45Å; M354-Y399 HydrophobicContact CE-CD1 4Å; M354-Y399 HydrophobicContact CE-CD2 4.18Å; M354-Y399 HydrophobicContact CE-CE1 3.71Å; M354-Y399 HydrophobicContact CE-CE2 3.91Å; M354-Y399 HydrophobicContact CE-CG 4.22Å; M354-Y399 HydrophobicContact SD-CD1 4.41Å; M354-Y399 HydrophobicContact SD-CE1 4.02Å; F358-Y399 HydrophobicContact CE2-CE2 4.05Å; F358-Y399 WeakPolarHBondContact CE2-OH 3.35Å; F358-Y399 WeakPolarHBondContact CZ-OH 3.38Å; C386-Y399 WeakPolarHBondContact CA-O 3.06Å; F387-Y399 VanDerWaalsContact CE1-CB 3.47Å; F387-Y399 HydrophobicContact CE1-CD2 4.48Å; F387-Y399 HydrophobicContact CE1-CG 4.26Å; F387-Y399 AromaticContact CE2-CD2 3.95Å; F387-Y399 HydrophobicContact CE2-CD2 3.95Å; F387-Y399 AromaticContact CZ-CD2 3.71Å; F387-Y399 HydrophobicContact CZ-CD2 3.71Å; F387-Y399 AromaticContact CZ-CG 3.92Å; F387-Y399 HydrophobicContact CZ-CG 3.92Å; F387-Y399 PolarHBondContact N-O 3.34Å; F387-Y399 PolarHBondContact O-N 3.45Å; V397-Y399 HydrophobicContact CB-CE2 4.16Å; V397-Y399 HydrophobicContact CG2-CD2 4.33Å; V397-Y399 HydrophobicContact CG2-CE2 3.85Å; Y399-I427 HydrophobicContact CD1-CG2 3.98Å; Y399-I427 HydrophobicContact CE1-CB 4.27Å; Y399-I427 HydrophobicContact CE1-CG2 3.8Å; Y399-I427 WeakPolarHBondContact CE1-O 3.48Å; Y399-I427 PolarHBondContact OH-O 2.68Å; Y399-F428 WeakPolarHBondContact CE1-O 3.38Å; Y399-P429 HydrophobicContact CE1-CG 4.37Å; Y399-P429 HydrophobicContact CE2-CB 4.38Å; Y399-P429 HydrophobicContact CE2-CG 4.07Å
400	C	91	Very high	82.2	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	112.9	166.1	-80.6	0	0	0	0	109.7	L234 C236 W240 R383 C386	L234-C400 VanDerWaalsContact CB-SG 3.55Å; L234-C400 PolarHBondContact O-SG 2.9Å; C236-C400 PolarHBondContact SG-O 2.98Å; C236-C400 VanDerWaalsContact SG-O 3.33Å; W240-C400 PolarHBondContact NE1-O 3.27Å; W240-C400 VanDerWaalsContact NE1-O 3.13Å; R383-C400 VanDerWaalsContact CD-SG 3.56Å; R383-C400 HydrophobicContact CG-CB 4.41Å; C386-C400 VanDerWaalsContact SG-SG 3.63Å
401	V	91.7	Very high	80.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.6	-178	179.2	0	0	0	0	108.9	C236 W240 L332 W352 W366 L384 G385 F387	C236-V401 VanDerWaalsContact SG-C 3.55Å; W240-V401 HydrophobicContact CH2-CG2 4.48Å; W240-V401 HydrophobicContact CZ2-CG2 4.26Å; L332-V401 HydrophobicContact CD2-CG1 4.14Å; W352-V401 HydrophobicContact CZ2-CB 4.48Å; W352-V401 HydrophobicContact CZ2-CG1 3.68Å; W352-V401 HydrophobicContact CZ2-CG2 3.9Å; W366-V401 HydrophobicContact CH2-CB 4.12Å; W366-V401 HydrophobicContact CH2-CG2 3.91Å; W366-V401 HydrophobicContact CZ3-CB 4.31Å; W366-V401 HydrophobicContact CZ3-CG2 4.17Å; L384-V401 WeakPolarHBondContact CA-O 3.26Å; L384-V401 HydrophobicContact CB-CG1 4.41Å; L384-V401 WeakPolarHBondContact CB-O 3.38Å; L384-V401 HydrophobicContact CD2-CG1 4.16Å; L384-V401 PolarHBondContact N-O 2.79Å; G385-V401 PolarHBondContact N-O 3.45Å; G385-V401 PolarHBondContact O-N 3.02Å; F387-V401 HydrophobicContact CD1-CG2 3.67Å; F387-V401 HydrophobicContact CE1-CG2 3.54Å
402	P	88.2	Confident	78.2	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	154.2	176.7	31.4	-33.2	0	0	0	112.7	C236 W240 L381 P382 W407	C236-P402 HydrophobicContact CB-CB 4.31Å; W240-P402 HydrophobicContact CB-CG 3.7Å; W240-P402 VanDerWaalsContact CD2-CD 3.46Å; W240-P402 HydrophobicContact CD2-CG 3.84Å; W240-P402 HydrophobicContact CE3-CG 4.24Å; W240-P402 HydrophobicContact CG-CG 3.61Å; L381-P402 HydrophobicContact CB-CB 3.64Å; L381-P402 HydrophobicContact CD1-CB 3.9Å; L381-P402 HydrophobicContact CD1-CG 4.06Å; L381-P402 HydrophobicContact CG-CB 4.41Å; P382-P402 CarbonylContact O-C 3.55Å; P382-P402 WeakPolarHBondContact O-CA 3.46Å; P402-W407 HydrophobicContact CG-CH2 3.95Å; P402-W407 HydrophobicContact CG-CZ3 3.97Å
403	K	82.3	Confident	76.3	Confident	81 Å²	81	47.4 Å²	47.4	35%	0.352	25%	0.253	S	S	.	.			trans	-95.5	89.3	166.6	-179.2	-175.6	171.2	-172.1	0	108	P382 L384	P382-K403 HydrophobicContact CG-CB 4.41Å; P382-K403 WeakPolarHBondContact CG-O 3.24Å; P382-K403 PolarHBondContact O-N 3.22Å; L384-K403 HydrophobicContact CB-CB 3.98Å
404	H	72.2	Confident	74.5	Confident	50 Å²	50	48.3 Å²	48.3	23%	0.231	26%	0.26	C	S	.	.			trans	-82	130.8	177.9	-158.3	-88.9	0	0	0	110.7	T406 W407	H404-T406 VanDerWaalsContact C-N 3.29Å; H404-T406 PolarHBondContact CE1-OG1 3.48Å; H404-T406 PolarHBondContact ND1-OG1 2.81Å; H404-T406 PolarHBondContact O-N 2.97Å; H404-W407 HydrophobicContact CB-CB 4.31Å; H404-W407 HydrophobicContact CB-CD2 3.26Å; H404-W407 VanDerWaalsContact CB-CE2 3.47Å; H404-W407 HydrophobicContact CB-CE3 3.5Å; H404-W407 VanDerWaalsContact CB-CE3 3.5Å; H404-W407 HydrophobicContact CB-CG 3.63Å; H404-W407 HydrophobicContact CB-CH2 4.13Å; H404-W407 HydrophobicContact CB-CZ2 3.92Å; H404-W407 HydrophobicContact CB-CZ3 3.93Å; H404-W407 AromaticContact CG-CD2 3.99Å; H404-W407 AromaticContact CG-CE2 3.7Å; H404-W407 AromaticContact CG-NE1 3.74Å; H404-W407 AromaticContact ND1-CD1 3.77Å; H404-W407 AromaticContact ND1-NE1 3.66Å; H404-W407 PolarHBondContact O-N 2.92Å
405	S	65.2	Low	72.6	Confident	99 Å²	99	48.8 Å²	48.8	69%	0.692	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-25.6	-173.5	52.9	0	0	0	0	114.7	N409	S405-N409 PolarHBondContact O-ND2 2.8Å
406	T	61.5	Low	70.8	Confident	79 Å²	79	50.3 Å²	50.3	49%	0.485	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-19.8	177	67.8	0	0	0	0	113.5	H404	H404-T406 VanDerWaalsContact C-N 3.29Å; H404-T406 PolarHBondContact CE1-OG1 3.48Å; H404-T406 PolarHBondContact ND1-OG1 2.81Å; H404-T406 PolarHBondContact O-N 2.97Å
407	W	68.2	Low	69	Low	29 Å²	29	57.2 Å²	57.2	11%	0.11	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	128.7	-177.8	-56.8	-14.2	0	0	0	109.6	W240 V351 W352 P402 H404 P420 F422	W240-W407 AromaticContact CE3-CH2 3.99Å; W240-W407 HydrophobicContact CE3-CH2 3.99Å; V351-W407 HydrophobicContact CG1-CB 3.58Å; V351-W407 HydrophobicContact CG1-CD2 4.25Å; V351-W407 HydrophobicContact CG1-CE3 3.88Å; V351-W407 HydrophobicContact CG1-CG 4.2Å; W352-W407 AromaticContact CD1-CE3 3.62Å; W352-W407 AromaticContact CD1-CZ3 3.38Å; W352-W407 HydrophobicContact CG-CZ3 4.37Å; W352-W407 AromaticContact NE1-CZ3 3.86Å; P402-W407 HydrophobicContact CG-CH2 3.95Å; P402-W407 HydrophobicContact CG-CZ3 3.97Å; H404-W407 HydrophobicContact CB-CB 4.31Å; H404-W407 HydrophobicContact CB-CD2 3.26Å; H404-W407 VanDerWaalsContact CB-CE2 3.47Å; H404-W407 HydrophobicContact CB-CE3 3.5Å; H404-W407 VanDerWaalsContact CB-CE3 3.5Å; H404-W407 HydrophobicContact CB-CG 3.63Å; H404-W407 HydrophobicContact CB-CH2 4.13Å; H404-W407 HydrophobicContact CB-CZ2 3.92Å; H404-W407 HydrophobicContact CB-CZ3 3.93Å; H404-W407 AromaticContact CG-CD2 3.99Å; H404-W407 AromaticContact CG-CE2 3.7Å; H404-W407 AromaticContact CG-NE1 3.74Å; H404-W407 AromaticContact ND1-CD1 3.77Å; H404-W407 AromaticContact ND1-NE1 3.66Å; H404-W407 PolarHBondContact O-N 2.92Å; W407-P420 HydrophobicContact CZ2-CG 4.3Å; W407-F422 HydrophobicContact CH2-CE2 4.47Å; W407-F422 HydrophobicContact CH2-CZ 4.31Å; W407-F422 HydrophobicContact CZ2-CZ 4.25Å
408	G	55.1	Low	67.5	Low	12 Å²	12	60.1 Å²	60.1	12%	0.124	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	4.4	-178.1	0	0	0	0	0	115.9	R347 E349	R347-G408 PolarHBondContact NH1-O 2.92Å; R347-G408 PolarHBondContact NH2-O 3.32Å; E349-G408 WeakPolarHBondContact OE1-CA 3.45Å; E349-G408 VanDerWaalsContact OE1-O 3.07Å
409	N	55.3	Low	66.6	Low	126 Å²	126	60.9 Å²	60.9	67%	0.674	32%	0.323	S	S	*	.			trans	-110.7	15.9	178.5	-78.2	-37.8	0	0	0	113.7	S405	S405-N409 PolarHBondContact O-ND2 2.8Å
410	V	53.8	Low	66.2	Low	52 Å²	52	61 Å²	61	32%	0.315	33%	0.325	S	S	.	.	S	Bend	trans	-109.6	138.5	-176.5	-176.3	0	0	0	0	109.1	R347 V414	R347-V410 PolarHBondContact NH2-O 2.88Å; V410-V414 HydrophobicContact CG1-CB 3.65Å; V410-V414 HydrophobicContact CG1-CG1 3.59Å
411	R	54.1	Low	65.9	Low	201 Å²	201	61.5 Å²	61.5	76%	0.758	33%	0.328	S	S	*	.			trans	-55.7	142.7	176.7	-70	-177.2	162.8	176.6	-4.3	110.7	D413 V414 A415	R411-D413 WeakPolarHBondContact CB-OD1 3.49Å; R411-D413 PolarHBondContact O-N 3.4Å; R411-D413 VanDerWaalsContact O-N 3.15Å; R411-V414 PolarHBondContact O-N 3.3Å; R411-A415 PolarHBondContact O-N 2.89Å
412	A	52.3	Low	65.7	Low	62 Å²	62	61.6 Å²	61.6	51%	0.512	33%	0.328	S	S	.	.	H	α-helix	trans	-61.1	-27.6	-168.5	0	0	0	0	0	114.8
413	D	53.2	Low	65.5	Low	113 Å²	113	63 Å²	63	60%	0.604	34%	0.342	S	S	*	.	H	α-helix	trans	-67.8	-33.1	173.2	57.4	-29.1	0	0	0	113	R411	R411-D413 WeakPolarHBondContact CB-OD1 3.49Å; R411-D413 PolarHBondContact O-N 3.4Å; R411-D413 VanDerWaalsContact O-N 3.15Å
414	V	53.4	Low	65.5	Low	65 Å²	65	61.5 Å²	61.5	39%	0.394	35%	0.345	S	S	.	.	H	α-helix	trans	-87.9	-34.8	175.9	-179.5	0	0	0	0	111.4	V410 R411 K416 K417 T418	V410-V414 HydrophobicContact CG1-CB 3.65Å; V410-V414 HydrophobicContact CG1-CG1 3.59Å; R411-V414 PolarHBondContact O-N 3.3Å; V414-K416 VanDerWaalsContact C-N 3.28Å; V414-K416 PolarHBondContact O-N 3.13Å; V414-K417 PolarHBondContact O-N 3.3Å; V414-T418 HydrophobicContact CG1-CG2 3.85Å; V414-T418 PolarHBondContact O-N 3.07Å; V414-T418 PolarHBondContact O-OG1 2.96Å; V414-T418 VanDerWaalsContact O-OG1 3.14Å
415	A	53	Low	66.1	Low	11 Å²	11	61.4 Å²	61.4	9%	0.091	36%	0.358	C	S	.	.	H	α-helix	trans	-53.1	-39.3	-177.8	0	0	0	0	0	113.7	R411 K417 T418 C419	R411-A415 PolarHBondContact O-N 2.89Å; A415-K417 VanDerWaalsContact C-N 3.25Å; A415-K417 PolarHBondContact O-N 3.3Å; A415-T418 PolarHBondContact O-N 3.22Å; A415-C419 WeakPolarHBondContact O-CB 3.4Å; A415-C419 PolarHBondContact O-N 2.93Å
416	K	56	Low	67.1	Low	68 Å²	68	58.7 Å²	58.7	30%	0.296	34%	0.339	S	S	.	.	H	α-helix	trans	-59.8	-33	175.6	-65.3	-167.6	-172.1	-167.9	0	113.7	D274 G277 V414	D274-K416 IonicContact OD2-NZ 3.09Å; D274-K416 PolarHBondContact OD2-NZ 3.02Å; G277-K416 VanDerWaalsContact CA-CE 3.45Å; G277-K416 VanDerWaalsContact CA-NZ 3.29Å; V414-K416 VanDerWaalsContact C-N 3.28Å; V414-K416 PolarHBondContact O-N 3.13Å
417	K	58	Low	68.4	Low	145 Å²	145	55.2 Å²	55.2	63%	0.63	32%	0.317	S	S	*	.	H	α-helix	trans	-89.4	-15.1	-178.2	-71.8	-175.3	178.9	-179.7	0	113.2	F246 V414 A415	F246-K417 VanDerWaalsContact CD2-O 3.26Å; F246-K417 WeakPolarHBondContact CD2-O 3.13Å; F246-K417 HydrophobicContact CE2-CB 3.97Å; F246-K417 HydrophobicContact CE2-CG 4.26Å; F246-K417 VanDerWaalsContact CE2-O 3.25Å; F246-K417 WeakPolarHBondContact CE2-O 3.06Å; F246-K417 HydrophobicContact CZ-CG 4.46Å; V414-K417 PolarHBondContact O-N 3.3Å; A415-K417 VanDerWaalsContact C-N 3.25Å; A415-K417 PolarHBondContact O-N 3.3Å
418	T	65	Low	69.3	Low	61 Å²	61	59.6 Å²	59.6	37%	0.374	34%	0.337	S	S	.	.	H	α-helix	trans	-118.1	1.8	-175.9	56.7	0	0	0	0	113.9	V414 A415 P420	V414-T418 HydrophobicContact CG1-CG2 3.85Å; V414-T418 PolarHBondContact O-N 3.07Å; V414-T418 PolarHBondContact O-OG1 2.96Å; V414-T418 VanDerWaalsContact O-OG1 3.14Å; A415-T418 PolarHBondContact O-N 3.22Å; T418-P420 VanDerWaalsContact O-CD 3.28Å; T418-P420 WeakPolarHBondContact O-CD 3.31Å
419	C	76.5	Confident	71.1	Confident	16 Å²	16	59.8 Å²	59.8	11%	0.108	34%	0.336	C	S	.	.			trans	-57.7	119.3	176.4	-173.8	0	0	0	0	111.1	I350 A415 L421	I350-C419 HydrophobicContact CG2-CB 4.14Å; A415-C419 WeakPolarHBondContact O-CB 3.4Å; A415-C419 PolarHBondContact O-N 2.93Å; C419-L421 PolarHBondContact O-N 2.93Å
420	P	83.6	Confident	72.7	Confident	11 Å²	11	54.3 Å²	54.3	7%	0.071	31%	0.308	C	S	.	.			trans	-54	125.8	173.5	-28.3	36.3	0	0	0	112.6	A243 V351 W352 I353 W407 T418 F422	A243-P420 HydrophobicContact CB-CB 3.77Å; V351-P420 VanDerWaalsContact O-CD 3.32Å; V351-P420 WeakPolarHBondContact O-CD 3.43Å; W352-P420 WeakPolarHBondContact CA-O 3.38Å; W352-P420 HydrophobicContact CB-CB 4.03Å; W352-P420 HydrophobicContact CB-CG 4.47Å; I353-P420 PolarHBondContact N-O 3.1Å; W407-P420 HydrophobicContact CZ2-CG 4.3Å; T418-P420 VanDerWaalsContact O-CD 3.28Å; T418-P420 WeakPolarHBondContact O-CD 3.31Å; P420-F422 HydrophobicContact CB-CE2 3.84Å; P420-F422 HydrophobicContact CB-CZ 4.15Å
421	L	85.4	Confident	74.4	Confident	10 Å²	10	51.9 Å²	51.9	5%	0.052	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.6	169	178.6	62.1	0	0	0	109.7	T244 F247 A251 I353 C419	T244-L421 PolarHBondContact OG1-O 2.8Å; F247-L421 HydrophobicContact CD1-CD2 4.46Å; A251-L421 HydrophobicContact CB-CD2 4.44Å; I353-L421 HydrophobicContact CB-CD1 3.85Å; I353-L421 HydrophobicContact CG2-CD1 3.69Å; I353-L421 WeakPolarHBondContact O-CA 3.4Å; C419-L421 PolarHBondContact O-N 2.93Å
422	F	87.4	Confident	76.3	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.009	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	114	173.4	-60.6	-77.7	0	0	0	109	W240 A243 W352 I353 M354 Q355 W407 P420 S426 I427	W240-F422 HydrophobicContact CE3-CD2 4.08Å; W240-F422 HydrophobicContact CE3-CE1 4.3Å; W240-F422 AromaticContact CE3-CE2 3.52Å; W240-F422 HydrophobicContact CE3-CE2 3.52Å; W240-F422 AromaticContact CE3-CZ 3.65Å; W240-F422 HydrophobicContact CE3-CZ 3.65Å; W240-F422 AromaticContact CZ3-CD2 3.91Å; W240-F422 HydrophobicContact CZ3-CD2 3.91Å; W240-F422 AromaticContact CZ3-CE2 3.65Å; W240-F422 HydrophobicContact CZ3-CE2 3.65Å; W240-F422 HydrophobicContact CZ3-CZ 4.26Å; W240-F422 WeakPolarHBondContact O-CZ 3.05Å; A243-F422 HydrophobicContact CB-CD1 4.39Å; A243-F422 HydrophobicContact CB-CE1 3.61Å; A243-F422 HydrophobicContact CB-CE2 4.49Å; A243-F422 HydrophobicContact CB-CZ 3.67Å; W352-F422 HydrophobicContact CB-CD2 4.46Å; W352-F422 HydrophobicContact CB-CE2 4Å; W352-F422 HydrophobicContact CG-CE2 4.42Å; I353-F422 PolarHBondContact O-N 2.97Å; M354-F422 HydrophobicContact CB-CB 4.19Å; M354-F422 HydrophobicContact CG-CB 4.05Å; Q355-F422 WeakPolarHBondContact CB-O 3.27Å; Q355-F422 PolarHBondContact N-O 2.86Å; W407-F422 HydrophobicContact CH2-CE2 4.47Å; W407-F422 HydrophobicContact CH2-CZ 4.31Å; W407-F422 HydrophobicContact CZ2-CZ 4.25Å; P420-F422 HydrophobicContact CB-CE2 3.84Å; P420-F422 HydrophobicContact CB-CZ 4.15Å; F422-S426 WeakPolarHBondContact CB-OG 3.34Å; F422-I427 HydrophobicContact CB-CG1 3.98Å; F422-I427 HydrophobicContact CD1-CD1 3.65Å; F422-I427 HydrophobicContact CD1-CG1 3.95Å; F422-I427 HydrophobicContact CE1-CD1 4.04Å; F422-I427 HydrophobicContact CG-CD1 4.22Å; F422-I427 HydrophobicContact CG-CG1 4Å
423	G	84.4	Confident	78.3	Confident	29 Å²	29	39.7 Å²	39.7	30%	0.299	24%	0.235	S	C	.	.			trans	-67.4	162.8	-179.9	0	0	0	0	0	113.4	G425 S426	G423-G425 PolarHBondContact O-N 2.87Å; G423-S426 PolarHBondContact N-OG 2.97Å; G423-S426 VanDerWaalsContact N-OG 3.14Å; G423-S426 VanDerWaalsContact O-CB 3.31Å; G423-S426 WeakPolarHBondContact O-CB 3.31Å; G423-S426 PolarHBondContact O-N 3.14Å; G423-S426 PolarHBondContact O-OG 2.78Å
424	A	82.9	Confident	80.2	Confident	50 Å²	50	36 Å²	36	41%	0.413	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	125.5	179.2	0	0	0	0	0	111.3	Q355 S426	Q355-A424 HydrophobicContact CB-CB 4.46Å; Q355-A424 HydrophobicContact CG-CB 4.04Å; Q355-A424 WeakPolarHBondContact O-CA 3.29Å; A424-S426 VanDerWaalsContact C-N 3.34Å
425	G	83.6	Confident	82	Confident	49 Å²	49	33.5 Å²	33.5	51%	0.505	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	3.6	-176.9	0	0	0	0	0	115.3	G423 F428	G423-G425 PolarHBondContact O-N 2.87Å; G425-F428 WeakPolarHBondContact O-CE2 3.35Å; G425-F428 WeakPolarHBondContact O-CZ 3.25Å
426	S	85.7	Confident	83.6	Confident	42 Å²	42	36.6 Å²	36.6	29%	0.294	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-33.1	172.9	62	0	0	0	0	113.3	E239 F422 G423 A424	E239-S426 VanDerWaalsContact CB-O 3.3Å; E239-S426 WeakPolarHBondContact CB-O 3.29Å; F422-S426 WeakPolarHBondContact CB-OG 3.34Å; G423-S426 PolarHBondContact N-OG 2.97Å; G423-S426 VanDerWaalsContact N-OG 3.14Å; G423-S426 VanDerWaalsContact O-CB 3.31Å; G423-S426 WeakPolarHBondContact O-CB 3.31Å; G423-S426 PolarHBondContact O-N 3.14Å; G423-S426 PolarHBondContact O-OG 2.78Å; A424-S426 VanDerWaalsContact C-N 3.34Å
427	I	88.9	Confident	85.1	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.026	24%	0.237	C	C	.	.	S	Bend	trans	-114.5	117.3	173	-46	-61.9	0	0	0	109	P237 E239 W240 M354 Y399 F422	P237-I427 HydrophobicContact CB-CG2 4.36Å; P237-I427 HydrophobicContact CG-CG2 4.16Å; E239-I427 HydrophobicContact CB-CD1 3.64Å; E239-I427 WeakPolarHBondContact O-CD1 3.24Å; W240-I427 HydrophobicContact CD2-CD1 4.23Å; W240-I427 HydrophobicContact CD2-CG1 4.49Å; W240-I427 HydrophobicContact CG-CD1 4.24Å; W240-I427 HydrophobicContact CZ2-CG2 4.16Å; M354-I427 HydrophobicContact CG-CG1 4.44Å; M354-I427 HydrophobicContact SD-CB 3.62Å; M354-I427 HydrophobicContact SD-CG1 3.81Å; M354-I427 HydrophobicContact SD-CG2 4.08Å; Y399-I427 HydrophobicContact CD1-CG2 3.98Å; Y399-I427 HydrophobicContact CE1-CB 4.27Å; Y399-I427 HydrophobicContact CE1-CG2 3.8Å; Y399-I427 WeakPolarHBondContact CE1-O 3.48Å; Y399-I427 PolarHBondContact OH-O 2.68Å; F422-I427 HydrophobicContact CB-CG1 3.98Å; F422-I427 HydrophobicContact CD1-CD1 3.65Å; F422-I427 HydrophobicContact CD1-CG1 3.95Å; F422-I427 HydrophobicContact CE1-CD1 4.04Å; F422-I427 HydrophobicContact CG-CD1 4.22Å; F422-I427 HydrophobicContact CG-CG1 4Å
428	F	88.7	Confident	86.5	Confident	122 Å²	122	34.4 Å²	34.4	54%	0.535	23%	0.233	S	C	.	.			trans	-82.2	147.4	173.4	-66.2	-81.2	0	0	0	111.3	Y399 G425	Y399-F428 WeakPolarHBondContact CE1-O 3.38Å; G425-F428 WeakPolarHBondContact O-CE2 3.35Å; G425-F428 WeakPolarHBondContact O-CZ 3.25Å
429	P	91.4	Very high	87.8	Confident	16 Å²	16	32.5 Å²	32.5	10%	0.104	22%	0.222	C	C	.	.			trans	-55.8	138.7	167.5	-21.8	32.6	0	0	0	110.3	F358 V397 L398 Y399	F358-P429 HydrophobicContact CZ-CG 4.22Å; V397-P429 HydrophobicContact CB-CB 4.08Å; V397-P429 HydrophobicContact CB-CG 3.88Å; V397-P429 HydrophobicContact CG1-CB 4.39Å; V397-P429 HydrophobicContact CG1-CG 3.84Å; L398-P429 CarbonylContact O-C 3.59Å; L398-P429 VanDerWaalsContact O-CA 3.25Å; L398-P429 WeakPolarHBondContact O-CA 3.2Å; L398-P429 WeakPolarHBondContact O-CB 3.41Å; Y399-P429 HydrophobicContact CE1-CG 4.37Å; Y399-P429 HydrophobicContact CE2-CB 4.38Å; Y399-P429 HydrophobicContact CE2-CG 4.07Å
430	C	88.6	Confident	88.5	Confident	11 Å²	11	32.2 Å²	32.2	7%	0.074	22%	0.218	C	C	.	.	S	Bend	trans	-70.5	-28.2	171.2	52.1	0	0	0	0	111.2	L234 L398	L234-C430 HydrophobicContact CD2-CB 4.34Å; L398-C430 PolarHBondContact O-N 2.88Å; L398-C430 PolarHBondContact O-SG 2.88Å; L398-C430 VanDerWaalsContact O-SG 3.34Å
431	L	90.5	Very high	89	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	140.8	175.5	179.5	69.1	0	0	0	110.6	L234 L398 L433 L469 E479 I481	L234-L431 HydrophobicContact CD2-CB 3.95Å; L234-L431 HydrophobicContact CD2-CD2 4.47Å; L398-L431 HydrophobicContact CB-CB 4.17Å; L398-L431 HydrophobicContact CD1-CD2 4.44Å; L398-L431 HydrophobicContact CD2-CD2 4.24Å; L398-L431 PolarHBondContact N-O 3.14Å; L431-L433 HydrophobicContact CD2-CD2 3.73Å; L431-L433 HydrophobicContact CG-CD2 3.96Å; L431-L469 HydrophobicContact CD2-CD2 3.63Å; L431-E479 HydrophobicContact CD1-CB 4.41Å; L431-E479 WeakPolarHBondContact CD1-O 3.37Å; L431-I481 HydrophobicContact CD1-CD1 3.61Å; L431-I481 HydrophobicContact CD1-CG1 3.83Å; L431-I481 HydrophobicContact CD2-CD1 4.09Å; L431-I481 HydrophobicContact CG-CD1 4.43Å
432	T	93.2	Very high	89.5	Confident	8 Å²	8	32.2 Å²	32.2	5%	0.049	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.6	173.6	-67	0	0	0	0	110.3	E395 V396 L434 E479 K480 I481	E395-T432 HydrophobicContact CB-CG2 3.93Å; E395-T432 HydrophobicContact CG-CG2 4.11Å; V396-T432 CarbonylContact O-C 3.58Å; V396-T432 WeakPolarHBondContact O-CA 3.45Å; T432-L434 HydrophobicContact CG2-CD2 4.29Å; T432-E479 PolarHBondContact N-O 3.4Å; T432-K480 HydrophobicContact CG2-CG 4.26Å; T432-K480 CarbonylContact O-C 3.55Å; T432-K480 VanDerWaalsContact O-CA 3.28Å; T432-K480 WeakPolarHBondContact O-CA 3.44Å; T432-I481 PolarHBondContact O-N 3.32Å
433	L	94.4	Very high	89.9	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	112.4	172.9	-35.3	177	0	0	0	108.9	V396 L398 L431 I455 W467 L469 I481	V396-L433 HydrophobicContact CB-CB 3.93Å; V396-L433 HydrophobicContact CB-CD1 4Å; V396-L433 HydrophobicContact CB-CG 4.05Å; V396-L433 HydrophobicContact CG1-CD1 3.98Å; V396-L433 HydrophobicContact CG1-CG 4.31Å; V396-L433 PolarHBondContact N-O 3.02Å; V396-L433 PolarHBondContact O-N 3Å; L398-L433 HydrophobicContact CD1-CD1 3.97Å; L398-L433 HydrophobicContact CD1-CD2 4.07Å; L398-L433 HydrophobicContact CD1-CG 3.72Å; L431-L433 HydrophobicContact CD2-CD2 3.73Å; L431-L433 HydrophobicContact CG-CD2 3.96Å; L433-I455 HydrophobicContact CD1-CB 4.14Å; L433-I455 HydrophobicContact CD1-CD1 3.86Å; L433-I455 HydrophobicContact CD1-CG2 4.02Å; L433-W467 HydrophobicContact CB-CD2 3.85Å; L433-W467 HydrophobicContact CB-CG 4.01Å; L433-W467 HydrophobicContact CB-CZ2 3.99Å; L433-W467 HydrophobicContact CD1-CB 4.21Å; L433-W467 HydrophobicContact CD1-CD2 3.86Å; L433-W467 HydrophobicContact CD1-CE3 4Å; L433-W467 HydrophobicContact CD1-CG 3.97Å; L433-W467 HydrophobicContact CD2-CG 4.4Å; L433-W467 HydrophobicContact CG-CD2 4.43Å; L433-W467 HydrophobicContact CG-CG 4.37Å; L433-L469 HydrophobicContact CD2-CD2 4.03Å; L433-I481 CarbonylContact C-O 3.52Å; L433-I481 WeakPolarHBondContact CA-O 3.39Å; L433-I481 HydrophobicContact CD2-CB 4.3Å
434	L	93.1	Very high	90.5	Very high	35 Å²	35	30.8 Å²	30.8	18%	0.183	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	136.1	178.3	-62.5	178.1	0	0	0	110.3	E395 T432 W467 K480 I481 R482 P483	E395-L434 HydrophobicContact CG-CD2 4.36Å; E395-L434 WeakPolarHBondContact OE1-CD2 3.37Å; T432-L434 HydrophobicContact CG2-CD2 4.29Å; L434-W467 WeakPolarHBondContact O-CZ2 3.43Å; L434-W467 PolarHBondContact O-NE1 2.83Å; L434-K480 HydrophobicContact CD1-CB 3.81Å; L434-K480 HydrophobicContact CD1-CD 4.32Å; L434-K480 HydrophobicContact CD1-CG 4.42Å; L434-K480 HydrophobicContact CD2-CB 4.26Å; L434-K480 HydrophobicContact CD2-CD 3.75Å; L434-K480 HydrophobicContact CD2-CG 4.01Å; L434-K480 HydrophobicContact CG-CB 3.9Å; L434-K480 HydrophobicContact CG-CD 4.32Å; L434-K480 HydrophobicContact CG-CG 4.2Å; L434-I481 PolarHBondContact N-O 2.84Å; L434-R482 HydrophobicContact CD1-CG 4.29Å; L434-P483 WeakPolarHBondContact O-CD 3.23Å
435	T	92.2	Very high	91.2	Very high	12 Å²	12	30 Å²	30	7%	0.074	19%	0.192	C	C	.	.			trans	-86.6	-19.9	168.7	68.3	0	0	0	0	113.2	G394 T437 I441 L459 L465 W467	G394-T435 WeakPolarHBondContact O-CB 3.19Å; G394-T435 WeakPolarHBondContact O-CG2 3.42Å; G394-T435 PolarHBondContact O-OG1 3.37Å; T435-T437 VanDerWaalsContact C-N 3.29Å; T435-T437 PolarHBondContact OG1-N 2.9Å; T435-T437 VanDerWaalsContact OG1-N 3.08Å; T435-T437 PolarHBondContact OG1-O 3.48Å; T435-T437 PolarHBondContact OG1-OG1 2.76Å; T435-T437 VanDerWaalsContact OG1-OG1 3.1Å; T435-I441 HydrophobicContact CG2-CD1 3.55Å; T435-I441 HydrophobicContact CG2-CG1 4.06Å; T435-L459 HydrophobicContact CG2-CD1 4.35Å; T435-L459 HydrophobicContact CG2-CD2 4.09Å; T435-L465 VanDerWaalsContact CB-CD1 3.48Å; T435-L465 HydrophobicContact CG2-CD1 3.69Å; T435-W467 HydrophobicContact CG2-CH2 4.31Å; T435-W467 HydrophobicContact CG2-CZ2 4.25Å
436	G	85.9	Confident	91.7	Very high	77 Å²	77	27.8 Å²	27.8	79%	0.794	17%	0.169	S	C	*	.	S	Bend	trans	79.9	6.8	-167.9	0	0	0	0	0	114
437	T	88.5	Confident	92	Very high	62 Å²	62	25.9 Å²	25.9	38%	0.38	16%	0.155	S	C	.	.	S	Bend	trans	-139.8	164	179.9	71.6	0	0	0	0	111.1	T435 T439	T435-T437 VanDerWaalsContact C-N 3.29Å; T435-T437 PolarHBondContact OG1-N 2.9Å; T435-T437 VanDerWaalsContact OG1-N 3.08Å; T435-T437 PolarHBondContact OG1-O 3.48Å; T435-T437 PolarHBondContact OG1-OG1 2.76Å; T435-T437 VanDerWaalsContact OG1-OG1 3.1Å; T437-T439 WeakPolarHBondContact OG1-CB 3.18Å; T437-T439 PolarHBondContact OG1-N 2.95Å
438	D	87.6	Confident	91.8	Very high	104 Å²	104	26.9 Å²	26.9	56%	0.556	16%	0.162	S	C	*	.	S	Bend	trans	-85.1	9.1	167.1	66.7	-22.2	0	0	0	112.8
439	T	90.7	Very high	91.5	Very high	21 Å²	21	22.6 Å²	22.6	13%	0.129	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-79.7	131.1	-172.4	-61.1	0	0	0	0	111.1	G394 T437 L459 E460 S461	G394-T439 VanDerWaalsContact CA-O 3.26Å; G394-T439 WeakPolarHBondContact CA-O 3.2Å; T437-T439 WeakPolarHBondContact OG1-CB 3.18Å; T437-T439 PolarHBondContact OG1-N 2.95Å; T439-L459 HydrophobicContact CG2-CB 4.49Å; T439-E460 HydrophobicContact CG2-CB 3.76Å; T439-S461 VanDerWaalsContact CG2-N 3.29Å
440	R	91.3	Very high	91	Very high	10 Å²	10	25.1 Å²	25.1	4%	0.038	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-56	138	-176.9	-54.5	-171.5	-68.8	150.4	3.3	112.1	L321 S323 L442 E460	L321-R440 VanDerWaalsContact CD2-NH1 3.3Å; S323-R440 WeakPolarHBondContact OG-CG 3.21Å; R440-L442 HydrophobicContact CB-CD2 4.41Å; R440-E460 HydrophobicContact CB-CB 4.38Å; R440-E460 IonicContact CZ-OE1 2.7Å; R440-E460 IonicContact CZ-OE2 3.55Å; R440-E460 IonicContact NE-OE1 3.86Å; R440-E460 IonicContact NE-OE2 3.72Å; R440-E460 PolarHBondContact NE-OE2 2.9Å; R440-E460 IonicContact NH2-OE1 2.71Å; R440-E460 PolarHBondContact NH2-OE1 2.86Å; R440-E460 IonicContact NH2-OE2 2.76Å; R440-E460 PolarHBondContact NH2-OE2 3.41Å; R440-E460 PolarHBondContact O-N 2.78Å
441	I	95.5	Very high	90.5	Very high	1 Å²	1	27 Å²	27	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.2	172.2	-47.8	-174	0	0	0	107.5	A390 T391 E395 V396 T435 I444 A457 L459	A390-I441 HydrophobicContact CB-CB 4Å; A390-I441 HydrophobicContact CB-CG2 3.75Å; T391-I441 PolarHBondContact O-N 2.88Å; E395-I441 VanDerWaalsContact C-CD1 3.4Å; E395-I441 WeakPolarHBondContact O-CD1 3.36Å; V396-I441 HydrophobicContact CB-CD1 4.42Å; V396-I441 HydrophobicContact CG2-CD1 3.43Å; V396-I441 VanDerWaalsContact CG2-CD1 3.43Å; T435-I441 HydrophobicContact CG2-CD1 3.55Å; T435-I441 HydrophobicContact CG2-CG1 4.06Å; I441-I444 HydrophobicContact CG2-CG1 4.32Å; I441-A457 HydrophobicContact CG2-CB 3.77Å; I441-L459 HydrophobicContact CG1-CD1 4.41Å; I441-L459 HydrophobicContact CG1-CG 4.42Å
442	L	94.4	Very high	90.3	Very high	20 Å²	20	27.3 Å²	27.3	11%	0.105	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-17.8	-172.9	-58.4	-177.5	0	0	0	113.5	R440 G458 E460 P493 V494	R440-L442 HydrophobicContact CB-CD2 4.41Å; L442-G458 PolarHBondContact N-O 2.84Å; L442-E460 HydrophobicContact CD1-CB 4.13Å; L442-E460 HydrophobicContact CG-CB 4.34Å; L442-P493 HydrophobicContact CD1-CB 3.65Å; L442-V494 WeakPolarHBondContact CB-O 3.47Å
443	S	96.3	Very high	90	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	151.8	177.6	50.6	0	0	0	0	111.5	D363 A457 G458 R495 T496 V497	D363-S443 WeakPolarHBondContact OD2-CA 2.99Å; S443-A457 CarbonylContact O-C 3.56Å; S443-A457 VanDerWaalsContact O-CA 3.29Å; S443-A457 WeakPolarHBondContact O-CA 3.45Å; S443-G458 PolarHBondContact N-O 3.47Å; S443-G458 PolarHBondContact O-N 3.43Å; S443-R495 WeakPolarHBondContact CB-O 3.39Å; S443-R495 PolarHBondContact OG-O 2.89Å; S443-T496 VanDerWaalsContact OG-CA 3.23Å; S443-T496 WeakPolarHBondContact OG-CA 3.49Å; S443-V497 PolarHBondContact OG-N 2.92Å; S443-V497 VanDerWaalsContact OG-N 3.15Å
444	I	97.6	Very high	89.9	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	147.4	171.5	-73.5	164.9	0	0	0	108.3	D363 K365 A388 A390 V396 I441 I455 A456 A457	D363-I444 PolarHBondContact OD2-N 3.46Å; K365-I444 HydrophobicContact CB-CG2 4.48Å; K365-I444 WeakPolarHBondContact CE-O 3.28Å; K365-I444 HydrophobicContact CG-CB 4.44Å; K365-I444 HydrophobicContact CG-CG2 4.25Å; K365-I444 WeakPolarHBondContact CG-O 3.44Å; A388-I444 HydrophobicContact CB-CD1 4.45Å; A388-I444 HydrophobicContact CB-CG2 4.37Å; A390-I444 HydrophobicContact CB-CD1 3.61Å; A390-I444 HydrophobicContact CB-CG1 3.9Å; A390-I444 VanDerWaalsContact N-CD1 3.3Å; V396-I444 HydrophobicContact CB-CD1 4.23Å; V396-I444 HydrophobicContact CG1-CD1 3.47Å; V396-I444 VanDerWaalsContact CG1-CD1 3.47Å; V396-I444 HydrophobicContact CG1-CG1 4.43Å; V396-I444 HydrophobicContact CG2-CD1 3.87Å; V396-I444 HydrophobicContact CG2-CG1 4.2Å; I441-I444 HydrophobicContact CG2-CG1 4.32Å; I444-I455 HydrophobicContact CG2-CG2 3.87Å; I444-A456 CarbonylContact C-O 3.59Å; I444-A456 VanDerWaalsContact CA-O 3.31Å; I444-A456 WeakPolarHBondContact CA-O 3.46Å; I444-A457 HydrophobicContact CG1-CB 4.07Å
445	D	96.6	Very high	90	Very high	34 Å²	34	27.9 Å²	27.9	18%	0.182	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	139.8	161.8	-161.3	30.9	0	0	0	112.3	A456 V497 G498 W499	D445-A456 PolarHBondContact N-O 3.19Å; D445-A456 PolarHBondContact O-N 3.03Å; D445-V497 HydrophobicContact CB-CG2 4.14Å; D445-G498 WeakPolarHBondContact OD2-CA 3.47Å; D445-W499 PolarHBondContact O-NE1 3.39Å; D445-W499 PolarHBondContact OD2-N 2.77Å
446	W	94.5	Very high	90.3	Very high	3 Å²	3	27.3 Å²	27.3	1%	0.011	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	137.3	174	-75.6	81.7	0	0	0	109.1	F231 K365 C367 P368 A388 L398 P448 H452 I455 L469	F231-W446 HydrophobicContact CE2-CZ3 4Å; K365-W446 PolarHBondContact O-NE1 3.23Å; K365-W446 VanDerWaalsContact O-NE1 3.09Å; C367-W446 HydrophobicContact CB-CD2 4.19Å; C367-W446 HydrophobicContact CB-CE3 4.14Å; C367-W446 HydrophobicContact CB-CH2 3.81Å; C367-W446 HydrophobicContact CB-CZ2 3.87Å; C367-W446 HydrophobicContact CB-CZ3 3.96Å; P368-W446 HydrophobicContact CG-CB 3.97Å; A388-W446 HydrophobicContact CB-CZ2 4.1Å; L398-W446 HydrophobicContact CD2-CH2 3.85Å; L398-W446 HydrophobicContact CD2-CZ2 3.94Å; W446-P448 VanDerWaalsContact O-CD 3.28Å; W446-P448 WeakPolarHBondContact O-CD 3.39Å; W446-H452 HydrophobicContact CE3-CB 4.2Å; W446-I455 HydrophobicContact CD2-CD1 4.06Å; W446-I455 HydrophobicContact CD2-CG1 3.74Å; W446-I455 HydrophobicContact CE3-CD1 4.04Å; W446-I455 HydrophobicContact CE3-CG1 3.68Å; W446-I455 HydrophobicContact CG-CG1 4.33Å; W446-I455 HydrophobicContact CH2-CD1 3.7Å; W446-I455 HydrophobicContact CH2-CG1 4.29Å; W446-I455 HydrophobicContact CZ2-CD1 3.7Å; W446-I455 HydrophobicContact CZ2-CG1 4.33Å; W446-I455 HydrophobicContact CZ3-CD1 3.86Å; W446-I455 HydrophobicContact CZ3-CG1 3.97Å; W446-L469 HydrophobicContact CH2-CD1 3.76Å; W446-L469 HydrophobicContact CZ3-CD1 3.54Å
447	C	91.7	Very high	90.9	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.007	13%	0.131	C	C	.	.			trans	-64.6	122.7	172.2	-173.3	0	0	0	0	109.1	M449 H452 K454 W499	C447-M449 PolarHBondContact O-N 2.86Å; C447-H452 WeakPolarHBondContact O-CA 3.43Å; C447-H452 PolarHBondContact O-ND1 3.38Å; C447-K454 HydrophobicContact CB-CB 3.81Å; C447-K454 HydrophobicContact CB-CG 4.47Å; C447-K454 WeakPolarHBondContact CB-O 3.32Å; C447-K454 PolarHBondContact N-O 3.35Å; C447-W499 HydrophobicContact CB-CD2 3.82Å; C447-W499 HydrophobicContact CB-CE3 4.26Å; C447-W499 HydrophobicContact CB-CG 4.13Å; C447-W499 HydrophobicContact CB-CZ2 4.11Å
448	P	85.1	Confident	91.3	Very high	27 Å²	27	20.7 Å²	20.7	18%	0.175	11%	0.113	C	C	.	.	S	Bend	trans	-77.8	-6	-178.9	28.9	-31.5	0	0	0	112.9	W446 H452 W499 P540	W446-P448 VanDerWaalsContact O-CD 3.28Å; W446-P448 WeakPolarHBondContact O-CD 3.39Å; P448-H452 PolarHBondContact O-CE1 3.11Å; P448-H452 PolarHBondContact O-ND1 3.42Å; P448-W499 HydrophobicContact CG-CB 4.47Å; P448-P540 HydrophobicContact CB-CG 4.12Å; P448-P540 HydrophobicContact CG-CG 3.29Å
449	M	83	Confident	91.7	Very high	31 Å²	31	15.8 Å²	15.8	15%	0.153	9%	0.087	C	C	.	.	S	Bend	trans	-105.9	177.5	-178	-57.4	-68.2	108.1	0	0	111	C447 S451 H452 D502 P540	C447-M449 PolarHBondContact O-N 2.86Å; M449-S451 PolarHBondContact O-N 3.11Å; M449-H452 PolarHBondContact O-N 3.17Å; M449-D502 HydrophobicContact CB-CB 3.75Å; M449-D502 HydrophobicContact CG-CB 4.31Å; M449-P540 HydrophobicContact CE-CB 4.35Å; M449-P540 HydrophobicContact CE-CG 4.42Å
450	N	79.5	Confident	91.8	Very high	70 Å²	70	17.3 Å²	17.3	37%	0.374	9%	0.092	S	C	.	.	G	3₁₀ helix	trans	42.9	56.3	170.5	-59.1	-2.8	0	0	0	114.2	H452 E453 D502	N450-H452 PolarHBondContact O-N 3.42Å; N450-E453 PolarHBondContact O-N 3.35Å; N450-D502 VanDerWaalsContact ND2-CB 3.33Å; N450-D502 WeakPolarHBondContact ND2-CB 3.38Å; N450-D502 PolarHBondContact ND2-OD2 3.3Å
451	S	79.9	Confident	91.9	Very high	50 Å²	50	18.2 Å²	18.2	35%	0.35	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	55.1	27.2	178.6	-48.4	0	0	0	0	114.1	L230 M449 E453	L230-S451 WeakPolarHBondContact CD1-O 3.29Å; L230-S451 WeakPolarHBondContact CD2-O 3.23Å; M449-S451 PolarHBondContact O-N 3.11Å; S451-E453 PolarHBondContact O-N 2.82Å; S451-E453 VanDerWaalsContact O-N 3.09Å
452	H	86.3	Confident	91.8	Very high	6 Å²	6	18.2 Å²	18.2	3%	0.028	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	55.2	28.3	179.2	-44.7	-52.4	0	0	0	114.3	S369 W446 C447 P448 M449 N450 K454	S369-H452 VanDerWaalsContact CB-CD2 3.47Å; S369-H452 WeakPolarHBondContact CB-CD2 3.35Å; S369-H452 PolarHBondContact N-NE2 2.95Å; S369-H452 PolarHBondContact OG-CD2 3.32Å; W446-H452 HydrophobicContact CE3-CB 4.2Å; C447-H452 WeakPolarHBondContact O-CA 3.43Å; C447-H452 PolarHBondContact O-ND1 3.38Å; P448-H452 PolarHBondContact O-CE1 3.11Å; P448-H452 PolarHBondContact O-ND1 3.42Å; M449-H452 PolarHBondContact O-N 3.17Å; N450-H452 PolarHBondContact O-N 3.42Å; H452-K454 PolarHBondContact O-N 3.39Å
453	E	86.2	Confident	91.9	Very high	42 Å²	42	18.8 Å²	18.8	20%	0.196	10%	0.102	C	C	.	.			trans	-65.2	-19.5	-176.5	73.4	171.8	173.7	0	0	113.2	N450 S451 R468 L469	N450-E453 PolarHBondContact O-N 3.35Å; S451-E453 PolarHBondContact O-N 2.82Å; S451-E453 VanDerWaalsContact O-N 3.09Å; E453-R468 HydrophobicContact CB-CG 4.3Å; E453-R468 HydrophobicContact CG-CG 4.09Å; E453-R468 CarbonylContact O-C 3.39Å; E453-R468 WeakPolarHBondContact O-CA 3.27Å; E453-R468 IonicContact OE1-CZ 3.63Å; E453-R468 IonicContact OE1-NH1 2.67Å; E453-R468 PolarHBondContact OE1-NH1 2.92Å; E453-R468 WeakPolarHBondContact OE2-CD 3.27Å; E453-R468 IonicContact OE2-CZ 2.71Å; E453-R468 IonicContact OE2-NE 2.87Å; E453-R468 IonicContact OE2-NH1 3.83Å; E453-R468 PolarHBondContact OE2-NH1 3.28Å; E453-L469 WeakPolarHBondContact O-CB 3.5Å; E453-L469 PolarHBondContact O-N 2.85Å
454	K	92.2	Very high	91.9	Very high	13 Å²	13	18.9 Å²	18.9	6%	0.057	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	136.5	-174.6	-45.1	-177.5	-172.1	170.4	0	112.1	C447 H452 I466 W467 W499 D502	C447-K454 HydrophobicContact CB-CB 3.81Å; C447-K454 HydrophobicContact CB-CG 4.47Å; C447-K454 WeakPolarHBondContact CB-O 3.32Å; C447-K454 PolarHBondContact N-O 3.35Å; H452-K454 PolarHBondContact O-N 3.39Å; K454-I466 HydrophobicContact CB-CG2 4.37Å; K454-W467 WeakPolarHBondContact CA-O 3.48Å; K454-W499 HydrophobicContact CB-CH2 3.82Å; K454-W499 HydrophobicContact CB-CZ2 3.64Å; K454-W499 HydrophobicContact CD-CH2 3.62Å; K454-W499 HydrophobicContact CD-CZ2 4.34Å; K454-W499 HydrophobicContact CD-CZ3 4.18Å; K454-W499 HydrophobicContact CG-CH2 4.35Å; K454-D502 PolarHBondContact NZ-O 3.28Å
455	I	95.9	Very high	91.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	135.5	166.4	-66.4	171.6	0	0	0	108	L398 L433 I444 W446 I466 W467 L469	L398-I455 HydrophobicContact CD1-CD1 4.35Å; L398-I455 HydrophobicContact CD2-CD1 4.04Å; L433-I455 HydrophobicContact CD1-CB 4.14Å; L433-I455 HydrophobicContact CD1-CD1 3.86Å; L433-I455 HydrophobicContact CD1-CG2 4.02Å; I444-I455 HydrophobicContact CG2-CG2 3.87Å; W446-I455 HydrophobicContact CD2-CD1 4.06Å; W446-I455 HydrophobicContact CD2-CG1 3.74Å; W446-I455 HydrophobicContact CE3-CD1 4.04Å; W446-I455 HydrophobicContact CE3-CG1 3.68Å; W446-I455 HydrophobicContact CG-CG1 4.33Å; W446-I455 HydrophobicContact CH2-CD1 3.7Å; W446-I455 HydrophobicContact CH2-CG1 4.29Å; W446-I455 HydrophobicContact CZ2-CD1 3.7Å; W446-I455 HydrophobicContact CZ2-CG1 4.33Å; W446-I455 HydrophobicContact CZ3-CD1 3.86Å; W446-I455 HydrophobicContact CZ3-CG1 3.97Å; I455-I466 VanDerWaalsContact O-CA 3.31Å; I455-I466 WeakPolarHBondContact O-CA 3.31Å; I455-I466 WeakPolarHBondContact O-CG2 3.23Å; I455-W467 HydrophobicContact CG2-CE3 4.49Å; I455-W467 PolarHBondContact N-O 2.58Å; I455-W467 PolarHBondContact O-N 2.95Å; I455-L469 HydrophobicContact CD1-CD1 3.84Å; I455-L469 HydrophobicContact CD1-CD2 4.33Å; I455-L469 HydrophobicContact CD1-CG 4.3Å; I455-L469 HydrophobicContact CG1-CD1 4.36Å
456	A	97.5	Very high	91.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	150.1	169.2	0	0	0	0	0	110.5	I444 D445 L465 I466 V497 W499 L505	I444-A456 CarbonylContact C-O 3.59Å; I444-A456 VanDerWaalsContact CA-O 3.31Å; I444-A456 WeakPolarHBondContact CA-O 3.46Å; D445-A456 PolarHBondContact N-O 3.19Å; D445-A456 PolarHBondContact O-N 3.03Å; A456-L465 CarbonylContact C-O 3.56Å; A456-L465 VanDerWaalsContact CA-O 3.27Å; A456-L465 WeakPolarHBondContact CA-O 3.34Å; A456-I466 HydrophobicContact CB-CG1 4.28Å; A456-V497 HydrophobicContact CB-CG2 4.36Å; A456-W499 HydrophobicContact CB-CZ2 3.86Å; A456-L505 HydrophobicContact CB-CD1 3.81Å; A456-L505 HydrophobicContact CB-CD2 3.65Å; A456-L505 HydrophobicContact CB-CG 4.42Å
457	A	98	Very high	91.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	141.7	173	0	0	0	0	0	112.4	V396 I441 S443 I444 L459 V464 L465 W467	V396-A457 HydrophobicContact CG2-CB 4.18Å; I441-A457 HydrophobicContact CG2-CB 3.77Å; S443-A457 CarbonylContact O-C 3.56Å; S443-A457 VanDerWaalsContact O-CA 3.29Å; S443-A457 WeakPolarHBondContact O-CA 3.45Å; I444-A457 HydrophobicContact CG1-CB 4.07Å; A457-L459 HydrophobicContact CB-CD1 4.36Å; A457-V464 WeakPolarHBondContact O-CA 3.47Å; A457-L465 PolarHBondContact N-O 2.94Å; A457-L465 PolarHBondContact O-N 2.81Å; A457-W467 HydrophobicContact CB-CH2 3.86Å; A457-W467 HydrophobicContact CB-CZ3 3.56Å
458	G	97	Very high	91.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.3	174.5	0	0	0	0	0	111.7	L442 S443	L442-G458 PolarHBondContact N-O 2.84Å; S443-G458 PolarHBondContact N-O 3.47Å; S443-G458 PolarHBondContact O-N 3.43Å
459	L	95.8	Very high	91.8	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	154.4	-176.5	-80.4	65	0	0	0	112.7	T435 T439 I441 A457 S461 G462 Y463 L465 V494	T435-L459 HydrophobicContact CG2-CD1 4.35Å; T435-L459 HydrophobicContact CG2-CD2 4.09Å; T439-L459 HydrophobicContact CG2-CB 4.49Å; I441-L459 HydrophobicContact CG1-CD1 4.41Å; I441-L459 HydrophobicContact CG1-CG 4.42Å; A457-L459 HydrophobicContact CB-CD1 4.36Å; L459-S461 WeakPolarHBondContact CB-OG 3.45Å; L459-S461 PolarHBondContact O-N 3.45Å; L459-G462 PolarHBondContact O-N 2.98Å; L459-Y463 PolarHBondContact N-O 3.05Å; L459-L465 HydrophobicContact CD1-CD1 3.84Å; L459-L465 HydrophobicContact CD1-CG 3.94Å; L459-L465 HydrophobicContact CD2-CD1 3.84Å; L459-L465 HydrophobicContact CD2-CG 4.39Å; L459-V494 PolarHBondContact O-N 2.7Å
460	E	93.8	Very high	91.2	Very high	52 Å²	52	23.8 Å²	23.8	24%	0.243	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.4	170.9	177.1	175.7	-147.2	0	0	113.5	T439 R440 L442 G462 P493	T439-E460 HydrophobicContact CG2-CB 3.76Å; R440-E460 HydrophobicContact CB-CB 4.38Å; R440-E460 IonicContact CZ-OE1 2.7Å; R440-E460 IonicContact CZ-OE2 3.55Å; R440-E460 IonicContact NE-OE1 3.86Å; R440-E460 IonicContact NE-OE2 3.72Å; R440-E460 PolarHBondContact NE-OE2 2.9Å; R440-E460 IonicContact NH2-OE1 2.71Å; R440-E460 PolarHBondContact NH2-OE1 2.86Å; R440-E460 IonicContact NH2-OE2 2.76Å; R440-E460 PolarHBondContact NH2-OE2 3.41Å; R440-E460 PolarHBondContact O-N 2.78Å; L442-E460 HydrophobicContact CD1-CB 4.13Å; L442-E460 HydrophobicContact CG-CB 4.34Å; E460-G462 PolarHBondContact O-N 2.88Å; E460-P493 HydrophobicContact CG-CB 4.44Å; E460-P493 HydrophobicContact CG-CG 4.08Å
461	S	92.6	Very high	90.3	Very high	30 Å²	30	25.5 Å²	25.5	21%	0.21	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-8.7	174.6	50.3	0	0	0	0	113.7	T439 L459 Y463	T439-S461 VanDerWaalsContact CG2-N 3.29Å; L459-S461 WeakPolarHBondContact CB-OG 3.45Å; L459-S461 PolarHBondContact O-N 3.45Å; S461-Y463 VanDerWaalsContact C-N 3.34Å
462	G	94.5	Very high	89	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	85	8.6	-173.7	0	0	0	0	0	114.2	L459 E460 A489 S490 A492	L459-G462 PolarHBondContact O-N 2.98Å; E460-G462 PolarHBondContact O-N 2.88Å; G462-A489 PolarHBondContact O-N 2.95Å; G462-S490 VanDerWaalsContact CA-O 3.23Å; G462-S490 WeakPolarHBondContact CA-O 3.41Å; G462-S490 PolarHBondContact O-N 3.22Å; G462-A492 VanDerWaalsContact CA-O 3.25Å; G462-A492 WeakPolarHBondContact CA-O 3.43Å
463	Y	96	Very high	87.3	Confident	33 Å²	33	35 Å²	35	13%	0.129	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	145.5	173.2	-79.1	-98.1	0	0	0	112.1	A108 V111 L459 S461 R487 F488	A108-Y463 PolarHBondContact O-OH 3.37Å; V111-Y463 WeakPolarHBondContact CB-OH 3.39Å; V111-Y463 HydrophobicContact CG1-CE2 4.49Å; V111-Y463 WeakPolarHBondContact CG2-OH 3.44Å; L459-Y463 PolarHBondContact N-O 3.05Å; S461-Y463 VanDerWaalsContact C-N 3.34Å; Y463-R487 WeakPolarHBondContact CA-O 3.42Å; Y463-F488 HydrophobicContact CD1-CB 4.34Å; Y463-F488 HydrophobicContact CD2-CD2 4.03Å; Y463-F488 HydrophobicContact CE1-CB 3.92Å; Y463-F488 HydrophobicContact CE1-CD2 4.42Å; Y463-F488 AromaticContact CE2-CD2 3.64Å; Y463-F488 HydrophobicContact CE2-CD2 3.64Å; Y463-F488 HydrophobicContact CE2-CE2 4.34Å; Y463-F488 AromaticContact CZ-CD2 3.85Å
464	V	96.9	Very high	85.7	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.8	164.1	-179.7	0	0	0	0	107.2	A457 R487 A489 V494 V497 L505 A507 I517	A457-V464 WeakPolarHBondContact O-CA 3.47Å; V464-R487 PolarHBondContact N-O 3.17Å; V464-R487 PolarHBondContact O-N 3.48Å; V464-A489 HydrophobicContact CG2-CB 4Å; V464-V494 HydrophobicContact CG2-CG1 4.23Å; V464-V494 HydrophobicContact CG2-CG2 3.98Å; V464-V497 HydrophobicContact CG1-CG1 4.23Å; V464-V497 HydrophobicContact CG2-CG1 4.33Å; V464-L505 HydrophobicContact CG1-CD2 3.53Å; V464-A507 HydrophobicContact CG2-CB 3.51Å; V464-I517 HydrophobicContact CB-CD1 4.06Å; V464-I517 HydrophobicContact CG1-CD1 4.25Å; V464-I517 HydrophobicContact CG2-CD1 3.9Å
465	L	96.7	Very high	84.1	Confident	6 Å²	6	38.6 Å²	38.6	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144	177.4	-59.8	-176	0	0	0	109.5	T435 A456 A457 L459 W467 P483 L485 A486	T435-L465 VanDerWaalsContact CB-CD1 3.48Å; T435-L465 HydrophobicContact CG2-CD1 3.69Å; A456-L465 CarbonylContact C-O 3.56Å; A456-L465 VanDerWaalsContact CA-O 3.27Å; A456-L465 WeakPolarHBondContact CA-O 3.34Å; A457-L465 PolarHBondContact N-O 2.94Å; A457-L465 PolarHBondContact O-N 2.81Å; L459-L465 HydrophobicContact CD1-CD1 3.84Å; L459-L465 HydrophobicContact CD1-CG 3.94Å; L459-L465 HydrophobicContact CD2-CD1 3.84Å; L459-L465 HydrophobicContact CD2-CG 4.39Å; L465-W467 HydrophobicContact CB-CE3 4.39Å; L465-W467 HydrophobicContact CB-CH2 3.4Å; L465-W467 VanDerWaalsContact CB-CH2 3.4Å; L465-W467 HydrophobicContact CB-CZ2 3.95Å; L465-W467 HydrophobicContact CB-CZ3 3.64Å; L465-W467 HydrophobicContact CD1-CH2 3.87Å; L465-W467 HydrophobicContact CD1-CZ2 3.96Å; L465-W467 HydrophobicContact CG-CH2 4.28Å; L465-P483 HydrophobicContact CB-CB 4.21Å; L465-P483 HydrophobicContact CD1-CG 4.4Å; L465-P483 HydrophobicContact CD2-CG 4.26Å; L465-L485 WeakPolarHBondContact CA-O 3.43Å; L465-A486 HydrophobicContact CD2-CB 3.38Å
466	I	96	Very high	81.9	Confident	10 Å²	10	42.8 Å²	42.8	5%	0.051	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.4	176.8	-46.4	-175.2	0	0	0	109	K454 I455 A456 P483 D484 L485 W499 L505 T519	K454-I466 HydrophobicContact CB-CG2 4.37Å; I455-I466 VanDerWaalsContact O-CA 3.31Å; I455-I466 WeakPolarHBondContact O-CA 3.31Å; I455-I466 WeakPolarHBondContact O-CG2 3.23Å; A456-I466 HydrophobicContact CB-CG1 4.28Å; I466-P483 CarbonylContact O-C 3.59Å; I466-P483 WeakPolarHBondContact O-CA 3.49Å; I466-P483 WeakPolarHBondContact O-CB 3.47Å; I466-D484 PolarHBondContact O-N 2.83Å; I466-L485 HydrophobicContact CB-CB 4.1Å; I466-L485 HydrophobicContact CD1-CD2 3.89Å; I466-L485 HydrophobicContact CG1-CB 4.47Å; I466-L485 HydrophobicContact CG1-CD2 4.41Å; I466-L485 PolarHBondContact N-O 2.77Å; I466-L485 PolarHBondContact O-N 3.21Å; I466-L485 VanDerWaalsContact O-N 3.14Å; I466-W499 HydrophobicContact CD1-CH2 4.12Å; I466-W499 HydrophobicContact CD1-CZ2 4.48Å; I466-W499 HydrophobicContact CG2-CH2 3.96Å; I466-W499 HydrophobicContact CG2-CZ2 3.92Å; I466-L505 HydrophobicContact CD1-CD2 3.71Å; I466-L505 HydrophobicContact CG1-CD2 4.19Å; I466-T519 HydrophobicContact CD1-CG2 3.28Å
467	W	93.6	Very high	79.7	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.4	173.2	-57.4	-104.9	0	0	0	109	V396 L433 L434 T435 K454 I455 A457 L465 I481 P483 D484	V396-W467 HydrophobicContact CG2-CH2 4.09Å; V396-W467 HydrophobicContact CG2-CZ3 4.35Å; L433-W467 HydrophobicContact CB-CD2 3.85Å; L433-W467 HydrophobicContact CB-CG 4.01Å; L433-W467 HydrophobicContact CB-CZ2 3.99Å; L433-W467 HydrophobicContact CD1-CB 4.21Å; L433-W467 HydrophobicContact CD1-CD2 3.86Å; L433-W467 HydrophobicContact CD1-CE3 4Å; L433-W467 HydrophobicContact CD1-CG 3.97Å; L433-W467 HydrophobicContact CD2-CG 4.4Å; L433-W467 HydrophobicContact CG-CD2 4.43Å; L433-W467 HydrophobicContact CG-CG 4.37Å; L434-W467 WeakPolarHBondContact O-CZ2 3.43Å; L434-W467 PolarHBondContact O-NE1 2.83Å; T435-W467 HydrophobicContact CG2-CH2 4.31Å; T435-W467 HydrophobicContact CG2-CZ2 4.25Å; K454-W467 WeakPolarHBondContact CA-O 3.48Å; I455-W467 HydrophobicContact CG2-CE3 4.49Å; I455-W467 PolarHBondContact N-O 2.58Å; I455-W467 PolarHBondContact O-N 2.95Å; A457-W467 HydrophobicContact CB-CH2 3.86Å; A457-W467 HydrophobicContact CB-CZ3 3.56Å; L465-W467 HydrophobicContact CB-CE3 4.39Å; L465-W467 HydrophobicContact CB-CH2 3.4Å; L465-W467 VanDerWaalsContact CB-CH2 3.4Å; L465-W467 HydrophobicContact CB-CZ2 3.95Å; L465-W467 HydrophobicContact CB-CZ3 3.64Å; L465-W467 HydrophobicContact CD1-CH2 3.87Å; L465-W467 HydrophobicContact CD1-CZ2 3.96Å; L465-W467 HydrophobicContact CG-CH2 4.28Å; W467-I481 PolarHBondContact NE1-O 2.92Å; W467-P483 HydrophobicContact CD2-CB 4.07Å; W467-P483 HydrophobicContact CG-CB 4.25Å; W467-P483 HydrophobicContact CZ2-CB 4.16Å; W467-D484 WeakPolarHBondContact CA-OD2 3.47Å
468	R	89.5	Confident	77.9	Confident	105 Å²	105	52 Å²	52	40%	0.396	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.8	164.8	-168.6	-171.7	-64.7	-121.9	7.9	108.8	E453 V470 D484	E453-R468 HydrophobicContact CB-CG 4.3Å; E453-R468 HydrophobicContact CG-CG 4.09Å; E453-R468 CarbonylContact O-C 3.39Å; E453-R468 WeakPolarHBondContact O-CA 3.27Å; E453-R468 IonicContact OE1-CZ 3.63Å; E453-R468 IonicContact OE1-NH1 2.67Å; E453-R468 PolarHBondContact OE1-NH1 2.92Å; E453-R468 WeakPolarHBondContact OE2-CD 3.27Å; E453-R468 IonicContact OE2-CZ 2.71Å; E453-R468 IonicContact OE2-NE 2.87Å; E453-R468 IonicContact OE2-NH1 3.83Å; E453-R468 PolarHBondContact OE2-NH1 3.28Å; R468-V470 HydrophobicContact CB-CG2 4.32Å; R468-V470 HydrophobicContact CG-CG2 4.27Å; R468-V470 WeakPolarHBondContact O-CG2 3.45Å; R468-V470 PolarHBondContact O-N 2.86Å; R468-D484 PolarHBondContact N-OD2 3.13Å
469	L	86.2	Confident	76.9	Confident	1 Å²	1	56 Å²	56	1%	0.005	29%	0.287	C	S	.	.			trans	-75.9	75	172.7	-59.6	-170.8	0	0	0	109.1	F231 L398 L431 L433 W446 E453 I455 W475	F231-L469 HydrophobicContact CD1-CB 4.48Å; F231-L469 HydrophobicContact CD2-CD1 4.39Å; F231-L469 HydrophobicContact CE1-CB 3.69Å; F231-L469 HydrophobicContact CE1-CD1 4.39Å; F231-L469 WeakPolarHBondContact CE1-O 3.48Å; F231-L469 HydrophobicContact CE2-CD1 3.75Å; F231-L469 HydrophobicContact CZ-CB 3.72Å; F231-L469 HydrophobicContact CZ-CD1 3.75Å; F231-L469 HydrophobicContact CZ-CG 4.38Å; L398-L469 HydrophobicContact CD2-CD1 4.43Å; L431-L469 HydrophobicContact CD2-CD2 3.63Å; L433-L469 HydrophobicContact CD2-CD2 4.03Å; W446-L469 HydrophobicContact CH2-CD1 3.76Å; W446-L469 HydrophobicContact CZ3-CD1 3.54Å; E453-L469 WeakPolarHBondContact O-CB 3.5Å; E453-L469 PolarHBondContact O-N 2.85Å; I455-L469 HydrophobicContact CD1-CD1 3.84Å; I455-L469 HydrophobicContact CD1-CD2 4.33Å; I455-L469 HydrophobicContact CD1-CG 4.3Å; I455-L469 HydrophobicContact CG1-CD1 4.36Å; L469-W475 HydrophobicContact CB-CH2 3.78Å; L469-W475 HydrophobicContact CB-CZ2 4.36Å
470	V	71.7	Confident	76.5	Confident	76 Å²	76	61.2 Å²	61.2	46%	0.461	31%	0.309	S	S	.	.			trans	-71.9	127	-179.6	-154.6	0	0	0	0	109.7	R468 T472 W475	R468-V470 HydrophobicContact CB-CG2 4.32Å; R468-V470 HydrophobicContact CG-CG2 4.27Å; R468-V470 WeakPolarHBondContact O-CG2 3.45Å; R468-V470 PolarHBondContact O-N 2.86Å; V470-T472 VanDerWaalsContact C-N 3.25Å; V470-T472 HydrophobicContact CB-CG2 4.48Å; V470-T472 PolarHBondContact O-N 2.83Å; V470-T472 PolarHBondContact O-OG1 2.6Å; V470-W475 WeakPolarHBondContact O-CZ2 3.42Å
471	H	60	Low	76.3	Confident	107 Å²	107	60.2 Å²	60.2	50%	0.495	31%	0.305	S	S	.	.			trans	-56	82.1	176.3	-70.5	-78.7	0	0	0	112.7	F231 E233	F231-H471 AromaticContact CD1-CE1 3.87Å; E233-H471 IonicContact OE1-ND1 3.81Å; E233-H471 IonicContact OE2-ND1 2.68Å
472	T	52.1	Low	76.2	Confident	67 Å²	67	68.1 Å²	68.1	41%	0.411	33%	0.331	S	S	.	.			trans	-110	123.5	-176.9	31.1	0	0	0	0	106.7	V470 N474 W475	V470-T472 VanDerWaalsContact C-N 3.25Å; V470-T472 HydrophobicContact CB-CG2 4.48Å; V470-T472 PolarHBondContact O-N 2.83Å; V470-T472 PolarHBondContact O-OG1 2.6Å; T472-N474 PolarHBondContact O-N 2.75Å; T472-W475 PolarHBondContact OG1-NE1 2.85Å
473	K	51.5	Low	76.1	Confident	188 Å²	188	68.5 Å²	68.5	82%	0.817	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-2.7	-147.2	-75.1	-175.9	172	-179.4	0	117.4
474	N	52.1	Low	75.9	Confident	129 Å²	129	71.7 Å²	71.7	69%	0.69	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.5	50.3	-166.6	-74.7	-35	0	0	0	114.9	T472 N476	T472-N474 PolarHBondContact O-N 2.75Å; N474-N476 PolarHBondContact O-N 3.14Å
475	W	59.7	Low	75.7	Confident	1 Å²	1	72.6 Å²	72.6	0%	0.004	36%	0.357	C	S	.	.			trans	-68.4	30.4	176.3	-66.5	-11.1	0	0	0	116.1	F231 E233 L234 L469 V470 T472 I481	F231-W475 HydrophobicContact CB-CZ3 3.81Å; F231-W475 AromaticContact CD1-CH2 3.66Å; F231-W475 HydrophobicContact CD1-CH2 3.66Å; F231-W475 AromaticContact CD1-CZ3 3.6Å; F231-W475 HydrophobicContact CD1-CZ3 3.6Å; F231-W475 HydrophobicContact CE1-CH2 4.11Å; F231-W475 HydrophobicContact CE1-CZ3 4.43Å; F231-W475 HydrophobicContact CG-CH2 4.28Å; F231-W475 AromaticContact CG-CZ3 3.78Å; F231-W475 HydrophobicContact CG-CZ3 3.78Å; E233-W475 HydrophobicContact CB-CB 3.95Å; E233-W475 HydrophobicContact CB-CD2 4.17Å; E233-W475 HydrophobicContact CB-CE3 3.95Å; E233-W475 HydrophobicContact CB-CG 4.16Å; L234-W475 HydrophobicContact CD1-CE3 4.34Å; L234-W475 HydrophobicContact CD1-CZ3 4.06Å; L234-W475 HydrophobicContact CD2-CB 4.48Å; L234-W475 HydrophobicContact CD2-CD2 4.28Å; L234-W475 HydrophobicContact CD2-CE3 3.4Å; L234-W475 HydrophobicContact CD2-CZ3 3.94Å; L234-W475 HydrophobicContact CG-CE3 3.5Å; L234-W475 HydrophobicContact CG-CZ3 3.7Å; L469-W475 HydrophobicContact CB-CH2 3.78Å; L469-W475 HydrophobicContact CB-CZ2 4.36Å; V470-W475 WeakPolarHBondContact O-CZ2 3.42Å; T472-W475 PolarHBondContact OG1-NE1 2.85Å; W475-I481 HydrophobicContact CZ2-CD1 4.42Å
476	N	47.8	Very low	75.5	Confident	88 Å²	88	73.1 Å²	73.1	47%	0.471	36%	0.362	S	S	.	.			trans	-99.2	136.2	-179.9	-71.8	-58.7	0	0	0	111.6	N474	N474-N476 PolarHBondContact O-N 3.14Å
477	N	53.1	Low	75.4	Confident	163 Å²	163	77.4 Å²	77.4	87%	0.872	38%	0.378	S	S	*	.	S	Bend	trans	73.5	67.5	-177	-61.4	0.1	0	0	0	115.9	E479	N477-E479 PolarHBondContact O-N 3.44Å
478	G	59.9	Low	75.4	Confident	30 Å²	30	80 Å²	80	31%	0.309	39%	0.389	S	S	.	.	S	Bend	trans	67.3	33.8	158.6	0	0	0	0	0	114.7
479	E	76.4	Confident	75.5	Confident	85 Å²	85	75.3 Å²	75.3	40%	0.397	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	146.7	-176.1	-158.1	173.5	-164.5	0	0	111.6	L431 T432 N477	L431-E479 HydrophobicContact CD1-CB 4.41Å; L431-E479 WeakPolarHBondContact CD1-O 3.37Å; T432-E479 PolarHBondContact N-O 3.4Å; N477-E479 PolarHBondContact O-N 3.44Å
480	K	86.9	Confident	75.7	Confident	111 Å²	111	75.3 Å²	75.3	48%	0.483	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	102.5	-168.4	-80.6	-178	178.1	-125.9	0	111.8	E395 T432 L434	E395-K480 IonicContact OE1-NZ 2.77Å; E395-K480 PolarHBondContact OE1-NZ 3.21Å; E395-K480 IonicContact OE2-NZ 3.7Å; T432-K480 HydrophobicContact CG2-CG 4.26Å; T432-K480 CarbonylContact O-C 3.55Å; T432-K480 VanDerWaalsContact O-CA 3.28Å; T432-K480 WeakPolarHBondContact O-CA 3.44Å; L434-K480 HydrophobicContact CD1-CB 3.81Å; L434-K480 HydrophobicContact CD1-CD 4.32Å; L434-K480 HydrophobicContact CD1-CG 4.42Å; L434-K480 HydrophobicContact CD2-CB 4.26Å; L434-K480 HydrophobicContact CD2-CD 3.75Å; L434-K480 HydrophobicContact CD2-CG 4.01Å; L434-K480 HydrophobicContact CG-CB 3.9Å; L434-K480 HydrophobicContact CG-CD 4.32Å; L434-K480 HydrophobicContact CG-CG 4.2Å
481	I	89.3	Confident	76.4	Confident	32 Å²	32	76.8 Å²	76.8	16%	0.164	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	133.5	-178.6	-62	177.5	0	0	0	110.7	L431 T432 L433 L434 W467 W475	L431-I481 HydrophobicContact CD1-CD1 3.61Å; L431-I481 HydrophobicContact CD1-CG1 3.83Å; L431-I481 HydrophobicContact CD2-CD1 4.09Å; L431-I481 HydrophobicContact CG-CD1 4.43Å; T432-I481 PolarHBondContact O-N 3.32Å; L433-I481 CarbonylContact C-O 3.52Å; L433-I481 WeakPolarHBondContact CA-O 3.39Å; L433-I481 HydrophobicContact CD2-CB 4.3Å; L434-I481 PolarHBondContact N-O 2.84Å; W467-I481 PolarHBondContact NE1-O 2.92Å; W475-I481 HydrophobicContact CZ2-CD1 4.42Å
482	R	90.2	Very high	77.9	Confident	195 Å²	195	72.4 Å²	72.4	74%	0.736	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-88.3	155.7	174	-73	-170.7	178.7	110.2	-3.1	110.9	L434 D484	L434-R482 HydrophobicContact CD1-CG 4.29Å; R482-D484 PolarHBondContact O-N 2.9Å
483	P	93.3	Very high	79.9	Confident	8 Å²	8	70.6 Å²	70.6	5%	0.052	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-75.9	130.3	-175.1	29.2	-28.8	0	0	0	109.8	K112 L434 L465 I466 W467 L485	K112-P483 PolarHBondContact NZ-O 3.27Å; L434-P483 WeakPolarHBondContact O-CD 3.23Å; L465-P483 HydrophobicContact CB-CB 4.21Å; L465-P483 HydrophobicContact CD1-CG 4.4Å; L465-P483 HydrophobicContact CD2-CG 4.26Å; I466-P483 CarbonylContact O-C 3.59Å; I466-P483 WeakPolarHBondContact O-CA 3.49Å; I466-P483 WeakPolarHBondContact O-CB 3.47Å; W467-P483 HydrophobicContact CD2-CB 4.07Å; W467-P483 HydrophobicContact CG-CB 4.25Å; W467-P483 HydrophobicContact CZ2-CB 4.16Å; P483-L485 VanDerWaalsContact C-N 3.26Å; P483-L485 PolarHBondContact O-N 3.06Å
484	D	90.5	Very high	82	Confident	100 Å²	100	61.7 Å²	61.7	54%	0.535	31%	0.311	S	S	.	.	S	Bend	trans	-58.3	-45	170.6	-54.8	-86.8	0	0	0	109.9	I466 W467 R468 R482	I466-D484 PolarHBondContact O-N 2.83Å; W467-D484 WeakPolarHBondContact CA-OD2 3.47Å; R468-D484 PolarHBondContact N-OD2 3.13Å; R482-D484 PolarHBondContact O-N 2.9Å
485	L	92.5	Very high	83.9	Confident	22 Å²	22	59.6 Å²	59.6	12%	0.115	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.3	-178.2	-163.9	72.7	0	0	0	111.5	L465 I466 P483 R487	L465-L485 WeakPolarHBondContact CA-O 3.43Å; I466-L485 HydrophobicContact CB-CB 4.1Å; I466-L485 HydrophobicContact CD1-CD2 3.89Å; I466-L485 HydrophobicContact CG1-CB 4.47Å; I466-L485 HydrophobicContact CG1-CD2 4.41Å; I466-L485 PolarHBondContact N-O 2.77Å; I466-L485 PolarHBondContact O-N 3.21Å; I466-L485 VanDerWaalsContact O-N 3.14Å; P483-L485 VanDerWaalsContact C-N 3.26Å; P483-L485 PolarHBondContact O-N 3.06Å; L485-R487 HydrophobicContact CD1-CG 4.33Å; L485-R487 VanDerWaalsContact CD1-CZ 3.46Å; L485-R487 HydrophobicContact CD2-CG 4.06Å; L485-R487 HydrophobicContact CG-CG 4Å
486	A	93.5	Very high	85.6	Confident	17 Å²	17	61 Å²	61	14%	0.14	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.2	165.9	0	0	0	0	0	108.3	K112 L465	K112-A486 HydrophobicContact CD-CB 4.13Å; L465-A486 HydrophobicContact CD2-CB 3.38Å
487	R	94	Very high	87.9	Confident	100 Å²	100	57.1 Å²	57.1	38%	0.377	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	135.7	178.3	-70.2	-60.3	-179.1	-101.9	4.2	111.8	Y463 V464 L485 T521 G522	Y463-R487 WeakPolarHBondContact CA-O 3.42Å; V464-R487 PolarHBondContact N-O 3.17Å; V464-R487 PolarHBondContact O-N 3.48Å; L485-R487 HydrophobicContact CD1-CG 4.33Å; L485-R487 VanDerWaalsContact CD1-CZ 3.46Å; L485-R487 HydrophobicContact CD2-CG 4.06Å; L485-R487 HydrophobicContact CG-CG 4Å; R487-T521 PolarHBondContact NH2-O 2.89Å; R487-G522 WeakPolarHBondContact CD-O 3.41Å; R487-G522 WeakPolarHBondContact CG-O 3.34Å; R487-G522 PolarHBondContact NE-O 2.85Å
488	F	92.3	Very high	89.9	Confident	56 Å²	56	49.5 Å²	49.5	25%	0.246	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	120.9	176.1	-178.9	-108.2	0	0	0	109.6	Y463 S490 L491	Y463-F488 HydrophobicContact CD1-CB 4.34Å; Y463-F488 HydrophobicContact CD2-CD2 4.03Å; Y463-F488 HydrophobicContact CE1-CB 3.92Å; Y463-F488 HydrophobicContact CE1-CD2 4.42Å; Y463-F488 AromaticContact CE2-CD2 3.64Å; Y463-F488 HydrophobicContact CE2-CD2 3.64Å; Y463-F488 HydrophobicContact CE2-CE2 4.34Å; Y463-F488 AromaticContact CZ-CD2 3.85Å; F488-S490 WeakPolarHBondContact CE2-O 3.37Å; F488-S490 WeakPolarHBondContact CZ-O 3.24Å; F488-L491 HydrophobicContact CE2-CD2 4.33Å; F488-L491 HydrophobicContact CZ-CB 4.49Å; F488-L491 HydrophobicContact CZ-CD2 3.76Å; F488-L491 HydrophobicContact CZ-CG 3.95Å
489	A	92.2	Very high	91.5	Very high	5 Å²	5	48.1 Å²	48.1	4%	0.041	23%	0.227	C	C	.	.			trans	-94.6	-48.5	179.3	0	0	0	0	0	111.9	G462 V464 V494 A507 T509 V515	G462-A489 PolarHBondContact O-N 2.95Å; V464-A489 HydrophobicContact CG2-CB 4Å; A489-V494 HydrophobicContact CB-CG2 4.12Å; A489-A507 HydrophobicContact CB-CB 4.44Å; A489-T509 HydrophobicContact CB-CG2 4.2Å; A489-V515 HydrophobicContact CB-CB 4.4Å; A489-V515 HydrophobicContact CB-CG1 4.48Å; A489-V515 HydrophobicContact CB-CG2 4.23Å
490	S	90	Very high	92.1	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.014	22%	0.215	C	C	.	.			trans	-157.9	167.4	-178.7	-174.7	0	0	0	0	111.1	G462 F488 A492 N511	G462-S490 VanDerWaalsContact CA-O 3.23Å; G462-S490 WeakPolarHBondContact CA-O 3.41Å; G462-S490 PolarHBondContact O-N 3.22Å; F488-S490 WeakPolarHBondContact CE2-O 3.37Å; F488-S490 WeakPolarHBondContact CZ-O 3.24Å; S490-A492 PolarHBondContact O-N 3.2Å; S490-A492 PolarHBondContact OG-N 3.14Å; S490-N511 PolarHBondContact OG-ND2 3.25Å; S490-N511 PolarHBondContact OG-OD1 2.98Å
491	L	87.5	Confident	92.1	Very high	106 Å²	106	42.3 Å²	42.3	56%	0.555	20%	0.203	S	C	*	.	S	Bend	trans	-72.7	-11.8	166.3	-75.7	178.1	0	0	0	112.9	Y83 F488	Y83-L491 HydrophobicContact CD2-CD1 4.16Å; Y83-L491 HydrophobicContact CE2-CD1 3.48Å; Y83-L491 VanDerWaalsContact CE2-CD1 3.48Å; Y83-L491 HydrophobicContact CE2-CG 3.95Å; F488-L491 HydrophobicContact CE2-CD2 4.33Å; F488-L491 HydrophobicContact CZ-CB 4.49Å; F488-L491 HydrophobicContact CZ-CD2 3.76Å; F488-L491 HydrophobicContact CZ-CG 3.95Å
492	A	91.2	Very high	91.9	Very high	16 Å²	16	42.9 Å²	42.9	13%	0.132	21%	0.206	C	C	.	.	S	Bend	trans	-91.1	150.4	174.9	0	0	0	0	0	111.4	G462 S490 V494 N511	G462-A492 VanDerWaalsContact CA-O 3.25Å; G462-A492 WeakPolarHBondContact CA-O 3.43Å; S490-A492 PolarHBondContact O-N 3.2Å; S490-A492 PolarHBondContact OG-N 3.14Å; A492-V494 PolarHBondContact O-N 2.91Å; A492-N511 HydrophobicContact CB-CB 3.71Å; A492-N511 VanDerWaalsContact CB-OD1 3.3Å; A492-N511 WeakPolarHBondContact CB-OD1 3.33Å
493	P	93.7	Very high	91.9	Very high	29 Å²	29	36.9 Å²	36.9	19%	0.188	19%	0.188	C	C	.	.			trans	-48.8	134.6	174.1	-30.4	36.4	0	0	0	113.3	L442 E460 R495 T509 M510	L442-P493 HydrophobicContact CD1-CB 3.65Å; E460-P493 HydrophobicContact CG-CB 4.44Å; E460-P493 HydrophobicContact CG-CG 4.08Å; P493-R495 PolarHBondContact O-N 3.45Å; P493-T509 CarbonylContact O-C 3.58Å; P493-T509 WeakPolarHBondContact O-CA 3.44Å; P493-M510 HydrophobicContact CB-CB 4.46Å; P493-M510 HydrophobicContact CB-CG 3.97Å; P493-M510 HydrophobicContact CB-SD 3.75Å; P493-M510 HydrophobicContact CG-CG 4.46Å; P493-M510 HydrophobicContact CG-SD 3.91Å; P493-M510 PolarHBondContact O-N 3.26Å
494	V	95.2	Very high	91.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	104.9	169.1	-175.2	0	0	0	0	107.9	L442 L459 V464 A489 A492 V497 A507 F508 T509	L442-V494 WeakPolarHBondContact CB-O 3.47Å; L459-V494 PolarHBondContact O-N 2.7Å; V464-V494 HydrophobicContact CG2-CG1 4.23Å; V464-V494 HydrophobicContact CG2-CG2 3.98Å; A489-V494 HydrophobicContact CB-CG2 4.12Å; A492-V494 PolarHBondContact O-N 2.91Å; V494-V497 HydrophobicContact CG1-CG1 3.75Å; V494-A507 HydrophobicContact CG1-CB 4Å; V494-F508 CarbonylContact C-O 3.5Å; V494-F508 WeakPolarHBondContact CA-O 3.31Å; V494-T509 HydrophobicContact CB-CG2 4.48Å; V494-T509 HydrophobicContact CG2-CG2 4Å
495	R	93.1	Very high	92	Very high	85 Å²	85	32.9 Å²	32.9	32%	0.321	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-37.2	-175.1	175.2	59.4	-170.2	107.1	-4.2	112.6	S443 P493 F508 M510	S443-R495 WeakPolarHBondContact CB-O 3.39Å; S443-R495 PolarHBondContact OG-O 2.89Å; P493-R495 PolarHBondContact O-N 3.45Å; R495-F508 HydrophobicContact CB-CD1 3.79Å; R495-F508 HydrophobicContact CB-CE1 3.7Å; R495-F508 HydrophobicContact CB-CG 4.5Å; R495-F508 HydrophobicContact CB-CZ 4.31Å; R495-F508 HydrophobicContact CG-CD1 3.92Å; R495-F508 HydrophobicContact CG-CE1 3.51Å; R495-F508 HydrophobicContact CG-CZ 4.32Å; R495-F508 PolarHBondContact N-O 2.74Å; R495-M510 HydrophobicContact CB-CG 3.93Å
496	T	95.1	Very high	92.2	Very high	31 Å²	31	32.1 Å²	32.1	19%	0.19	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	136.5	-178.8	-52.8	0	0	0	0	109.9	S443 F508 I536	S443-T496 VanDerWaalsContact OG-CA 3.23Å; S443-T496 WeakPolarHBondContact OG-CA 3.49Å; T496-F508 PolarHBondContact N-O 2.91Å; T496-F508 PolarHBondContact O-N 2.7Å; T496-I536 HydrophobicContact CG2-CG2 3.7Å
497	V	96.7	Very high	92.3	Very high	6 Å²	6	31.3 Å²	31.3	4%	0.036	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	152	162.2	-67.7	0	0	0	0	109.4	S443 D445 A456 V464 V494 L505 F506 A507	S443-V497 PolarHBondContact OG-N 2.92Å; S443-V497 VanDerWaalsContact OG-N 3.15Å; D445-V497 HydrophobicContact CB-CG2 4.14Å; A456-V497 HydrophobicContact CB-CG2 4.36Å; V464-V497 HydrophobicContact CG1-CG1 4.23Å; V464-V497 HydrophobicContact CG2-CG1 4.33Å; V494-V497 HydrophobicContact CG1-CG1 3.75Å; V497-L505 HydrophobicContact CB-CD1 4.45Å; V497-F506 CarbonylContact C-O 3.57Å; V497-F506 WeakPolarHBondContact CA-O 3.22Å; V497-A507 HydrophobicContact CG1-CB 4.33Å
498	G	95	Very high	92.3	Very high	4 Å²	4	26.8 Å²	26.8	4%	0.041	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	126.2	178.5	0	0	0	0	0	112.9	D445 F506	D445-G498 WeakPolarHBondContact OD2-CA 3.47Å; G498-F506 PolarHBondContact N-O 2.87Å; G498-F506 PolarHBondContact O-N 2.99Å
499	W	93	Very high	92.3	Very high	1 Å²	1	24.1 Å²	24.1	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	131.3	179.2	-71	96.2	0	0	0	111.5	D445 C447 P448 K454 A456 I466 T501 L505 T519 V538	D445-W499 PolarHBondContact O-NE1 3.39Å; D445-W499 PolarHBondContact OD2-N 2.77Å; C447-W499 HydrophobicContact CB-CD2 3.82Å; C447-W499 HydrophobicContact CB-CE3 4.26Å; C447-W499 HydrophobicContact CB-CG 4.13Å; C447-W499 HydrophobicContact CB-CZ2 4.11Å; P448-W499 HydrophobicContact CG-CB 4.47Å; K454-W499 HydrophobicContact CB-CH2 3.82Å; K454-W499 HydrophobicContact CB-CZ2 3.64Å; K454-W499 HydrophobicContact CD-CH2 3.62Å; K454-W499 HydrophobicContact CD-CZ2 4.34Å; K454-W499 HydrophobicContact CD-CZ3 4.18Å; K454-W499 HydrophobicContact CG-CH2 4.35Å; A456-W499 HydrophobicContact CB-CZ2 3.86Å; I466-W499 HydrophobicContact CD1-CH2 4.12Å; I466-W499 HydrophobicContact CD1-CZ2 4.48Å; I466-W499 HydrophobicContact CG2-CH2 3.96Å; I466-W499 HydrophobicContact CG2-CZ2 3.92Å; W499-T501 VanDerWaalsContact CE3-O 3.31Å; W499-L505 HydrophobicContact CD2-CD1 3.71Å; W499-L505 HydrophobicContact CE3-CB 4.22Å; W499-L505 HydrophobicContact CE3-CD1 4.17Å; W499-L505 HydrophobicContact CG-CD1 3.84Å; W499-L505 HydrophobicContact CZ2-CD1 4.5Å; W499-L505 HydrophobicContact CZ3-CB 4.38Å; W499-T519 HydrophobicContact CH2-CG2 3.82Å; W499-T519 HydrophobicContact CZ3-CG2 3.6Å; W499-V538 WeakPolarHBondContact O-CG1 3.35Å
500	Y	88.9	Confident	92.2	Very high	35 Å²	35	29.6 Å²	29.6	14%	0.137	15%	0.153	C	C	.	.	S	Bend	trans	-100.5	-47.9	174.8	-178.4	-110.6	0	0	0	111.5	I504 F506 F542 P543 G544 Q564	Y500-I504 HydrophobicContact CD1-CB 4.3Å; Y500-I504 HydrophobicContact CD1-CD1 4.47Å; Y500-I504 HydrophobicContact CD1-CG2 4.13Å; Y500-I504 PolarHBondContact N-O 2.69Å; Y500-F506 HydrophobicContact CD1-CE2 4.41Å; Y500-F506 HydrophobicContact CD2-CE2 4.3Å; Y500-F506 HydrophobicContact CG-CD2 4.47Å; Y500-F506 AromaticContact CG-CE2 3.86Å; Y500-F506 HydrophobicContact CG-CE2 3.86Å; Y500-F542 VanDerWaalsContact CE2-O 3.3Å; Y500-F542 WeakPolarHBondContact CE2-O 3.46Å; Y500-P543 WeakPolarHBondContact OH-CA 3.46Å; Y500-P543 PolarHBondContact OH-O 3.19Å; Y500-G544 VanDerWaalsContact CE2-CA 3.44Å; Y500-G544 VanDerWaalsContact CE2-N 3.31Å; Y500-Q564 HydrophobicContact CD1-CG 4.17Å; Y500-Q564 HydrophobicContact CE1-CB 3.92Å; Y500-Q564 HydrophobicContact CE1-CG 3.95Å
501	T	87	Confident	92.1	Very high	39 Å²	39	33.2 Å²	33.2	24%	0.239	17%	0.172	C	C	.	.	S	Bend	trans	-128.2	-167.5	168.6	68.3	0	0	0	0	110	W499 I503 I504	W499-T501 VanDerWaalsContact CE3-O 3.31Å; T501-I503 PolarHBondContact OG1-N 2.99Å; T501-I503 VanDerWaalsContact OG1-N 3.1Å; T501-I504 HydrophobicContact CG2-CD1 4.14Å; T501-I504 PolarHBondContact N-O 3.15Å; T501-I504 PolarHBondContact OG1-N 2.92Å
502	D	84.8	Confident	92.1	Very high	44 Å²	44	28.3 Å²	28.3	24%	0.235	15%	0.147	C	C	.	.	S	Bend	trans	-73.4	-16.1	167.7	67.7	-42.9	0	0	0	113.7	M449 N450 K454 T519	M449-D502 HydrophobicContact CB-CB 3.75Å; M449-D502 HydrophobicContact CG-CB 4.31Å; N450-D502 VanDerWaalsContact ND2-CB 3.33Å; N450-D502 WeakPolarHBondContact ND2-CB 3.38Å; N450-D502 PolarHBondContact ND2-OD2 3.3Å; K454-D502 PolarHBondContact NZ-O 3.28Å; D502-T519 PolarHBondContact O-OG1 3.32Å
503	I	90.6	Very high	92.1	Very high	68 Å²	68	28.3 Å²	28.3	35%	0.349	15%	0.145	S	C	.	.	S	Bend	trans	-108.5	-36.7	-178.5	-62.3	167.9	0	0	0	111.3	T501 T519 V520	T501-I503 PolarHBondContact OG1-N 2.99Å; T501-I503 VanDerWaalsContact OG1-N 3.1Å; I503-T519 WeakPolarHBondContact O-CB 3.31Å; I503-T519 WeakPolarHBondContact O-CG2 3.32Å; I503-T519 PolarHBondContact O-N 3.35Å; I503-T519 PolarHBondContact O-OG1 2.64Å; I503-V520 HydrophobicContact CG1-CG2 4.05Å; I503-V520 HydrophobicContact CG2-CG2 4.13Å
504	I	91.7	Very high	92.1	Very high	24 Å²	24	27 Å²	27	12%	0.123	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.2	-172.9	-63.9	134.9	0	0	0	111.2	Y500 T501 F506 E516 L525 Q564	Y500-I504 HydrophobicContact CD1-CB 4.3Å; Y500-I504 HydrophobicContact CD1-CD1 4.47Å; Y500-I504 HydrophobicContact CD1-CG2 4.13Å; Y500-I504 PolarHBondContact N-O 2.69Å; T501-I504 HydrophobicContact CG2-CD1 4.14Å; T501-I504 PolarHBondContact N-O 3.15Å; T501-I504 PolarHBondContact OG1-N 2.92Å; I504-F506 HydrophobicContact CG2-CE2 4.29Å; I504-F506 HydrophobicContact CG2-CZ 4.49Å; I504-E516 HydrophobicContact CG2-CG 3.81Å; I504-L525 HydrophobicContact CG1-CD1 4.32Å; I504-Q564 VanDerWaalsContact CD1-NE2 3.26Å
505	L	94.7	Very high	92	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132.7	175.4	179.1	73.7	0	0	0	109.9	A456 V464 I466 V497 W499 I517 T519	A456-L505 HydrophobicContact CB-CD1 3.81Å; A456-L505 HydrophobicContact CB-CD2 3.65Å; A456-L505 HydrophobicContact CB-CG 4.42Å; V464-L505 HydrophobicContact CG1-CD2 3.53Å; I466-L505 HydrophobicContact CD1-CD2 3.71Å; I466-L505 HydrophobicContact CG1-CD2 4.19Å; V497-L505 HydrophobicContact CB-CD1 4.45Å; W499-L505 HydrophobicContact CD2-CD1 3.71Å; W499-L505 HydrophobicContact CE3-CB 4.22Å; W499-L505 HydrophobicContact CE3-CD1 4.17Å; W499-L505 HydrophobicContact CG-CD1 3.84Å; W499-L505 HydrophobicContact CZ2-CD1 4.5Å; W499-L505 HydrophobicContact CZ3-CB 4.38Å; L505-I517 PolarHBondContact N-O 3.35Å; L505-I517 PolarHBondContact O-N 3.46Å; L505-T519 HydrophobicContact CB-CG2 3.53Å; L505-T519 HydrophobicContact CD2-CG2 4.34Å
506	F	95.2	Very high	92.1	Very high	6 Å²	6	23.4 Å²	23.4	3%	0.026	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	142.6	169.3	-71.7	-74.5	0	0	0	111.2	V497 G498 Y500 I504 V514 V515 E516 V538 F545 Q564	V497-F506 CarbonylContact C-O 3.57Å; V497-F506 WeakPolarHBondContact CA-O 3.22Å; G498-F506 PolarHBondContact N-O 2.87Å; G498-F506 PolarHBondContact O-N 2.99Å; Y500-F506 HydrophobicContact CD1-CE2 4.41Å; Y500-F506 HydrophobicContact CD2-CE2 4.3Å; Y500-F506 HydrophobicContact CG-CD2 4.47Å; Y500-F506 AromaticContact CG-CE2 3.86Å; Y500-F506 HydrophobicContact CG-CE2 3.86Å; I504-F506 HydrophobicContact CG2-CE2 4.29Å; I504-F506 HydrophobicContact CG2-CZ 4.49Å; F506-V514 HydrophobicContact CD1-CG1 3.83Å; F506-V515 CarbonylContact C-O 3.49Å; F506-V515 WeakPolarHBondContact CA-O 3.33Å; F506-E516 HydrophobicContact CD1-CB 4.01Å; F506-E516 HydrophobicContact CD1-CG 4.18Å; F506-E516 HydrophobicContact CE1-CB 3.69Å; F506-E516 HydrophobicContact CE1-CG 3.62Å; F506-E516 HydrophobicContact CZ-CG 4.03Å; F506-V538 HydrophobicContact CB-CG2 4.06Å; F506-V538 HydrophobicContact CD2-CG1 4.01Å; F506-V538 HydrophobicContact CD2-CG2 4.36Å; F506-F545 HydrophobicContact CD1-CD1 4.27Å; F506-F545 HydrophobicContact CD1-CE1 4.35Å; F506-F545 HydrophobicContact CD2-CD1 4.34Å; F506-F545 AromaticContact CE1-CD1 3.89Å; F506-F545 HydrophobicContact CE1-CD1 3.89Å; F506-F545 AromaticContact CE1-CE1 3.81Å; F506-F545 HydrophobicContact CE1-CE1 3.81Å; F506-F545 AromaticContact CE2-CD1 3.97Å; F506-F545 HydrophobicContact CE2-CD1 3.97Å; F506-F545 HydrophobicContact CG-CD1 4.48Å; F506-F545 AromaticContact CZ-CD1 3.74Å; F506-F545 HydrophobicContact CZ-CD1 3.74Å; F506-F545 AromaticContact CZ-CE1 3.98Å; F506-F545 HydrophobicContact CZ-CE1 3.98Å; F506-Q564 HydrophobicContact CZ-CG 4.17Å
507	A	96	Very high	92	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	119.6	173.8	0	0	0	0	0	110.3	V464 A489 V494 V497 V515 I517	V464-A507 HydrophobicContact CG2-CB 3.51Å; A489-A507 HydrophobicContact CB-CB 4.44Å; V494-A507 HydrophobicContact CG1-CB 4Å; V497-A507 HydrophobicContact CG1-CB 4.33Å; A507-V515 HydrophobicContact CB-CB 4.47Å; A507-V515 PolarHBondContact N-O 3.3Å; A507-V515 PolarHBondContact O-N 2.83Å; A507-I517 HydrophobicContact CB-CD1 4.39Å
508	F	94.5	Very high	91.9	Very high	5 Å²	5	22.9 Å²	22.9	2%	0.022	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130	174.3	158.2	-131.9	0	0	0	110.1	V494 R495 T496 D513 L533 I536	V494-F508 CarbonylContact C-O 3.5Å; V494-F508 WeakPolarHBondContact CA-O 3.31Å; R495-F508 HydrophobicContact CB-CD1 3.79Å; R495-F508 HydrophobicContact CB-CE1 3.7Å; R495-F508 HydrophobicContact CB-CG 4.5Å; R495-F508 HydrophobicContact CB-CZ 4.31Å; R495-F508 HydrophobicContact CG-CD1 3.92Å; R495-F508 HydrophobicContact CG-CE1 3.51Å; R495-F508 HydrophobicContact CG-CZ 4.32Å; R495-F508 PolarHBondContact N-O 2.74Å; T496-F508 PolarHBondContact N-O 2.91Å; T496-F508 PolarHBondContact O-N 2.7Å; F508-D513 WeakPolarHBondContact CA-O 3.36Å; F508-L533 HydrophobicContact CD2-CD2 3.32Å; F508-L533 HydrophobicContact CD2-CG 3.81Å; F508-L533 HydrophobicContact CE2-CB 4.14Å; F508-L533 HydrophobicContact CE2-CD2 3.41Å; F508-L533 VanDerWaalsContact CE2-CD2 3.41Å; F508-L533 HydrophobicContact CE2-CG 3.39Å; F508-L533 HydrophobicContact CG-CD2 4.24Å; F508-L533 HydrophobicContact CZ-CD2 4.34Å; F508-L533 HydrophobicContact CZ-CG 3.89Å; F508-I536 HydrophobicContact CB-CB 4.21Å; F508-I536 HydrophobicContact CB-CG2 3.5Å; F508-I536 HydrophobicContact CD1-CB 4.46Å; F508-I536 HydrophobicContact CD1-CG2 3.88Å; F508-I536 HydrophobicContact CG-CB 4.47Å; F508-I536 HydrophobicContact CG-CG2 4.01Å
509	T	93.4	Very high	91.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	148.8	-179.6	57.3	0	0	0	0	112.2	A489 P493 V494 N511 G512 D513	A489-T509 HydrophobicContact CB-CG2 4.2Å; P493-T509 CarbonylContact O-C 3.58Å; P493-T509 WeakPolarHBondContact O-CA 3.44Å; V494-T509 HydrophobicContact CB-CG2 4.48Å; V494-T509 HydrophobicContact CG2-CG2 4Å; T509-N511 WeakPolarHBondContact CB-OD1 3.46Å; T509-N511 PolarHBondContact O-N 2.98Å; T509-N511 PolarHBondContact OG1-OD1 2.97Å; T509-G512 PolarHBondContact O-N 3.38Å; T509-D513 PolarHBondContact N-O 3.31Å; T509-D513 WeakPolarHBondContact OG1-CB 3.49Å; T509-D513 PolarHBondContact OG1-O 3.45Å
510	M	89.3	Confident	91.6	Very high	121 Å²	121	28.1 Å²	28.1	60%	0.596	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-7.3	-173.5	-70.8	-171.4	72.2	0	0	115.9	P493 R495	P493-M510 HydrophobicContact CB-CB 4.46Å; P493-M510 HydrophobicContact CB-CG 3.97Å; P493-M510 HydrophobicContact CB-SD 3.75Å; P493-M510 HydrophobicContact CG-CG 4.46Å; P493-M510 HydrophobicContact CG-SD 3.91Å; P493-M510 PolarHBondContact O-N 3.26Å; R495-M510 HydrophobicContact CB-CG 3.93Å
511	N	88.1	Confident	91.6	Very high	77 Å²	77	29.7 Å²	29.7	41%	0.412	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	2.8	170	68.3	-42.9	0	0	0	113.7	S490 A492 T509 D513	S490-N511 PolarHBondContact OG-ND2 3.25Å; S490-N511 PolarHBondContact OG-OD1 2.98Å; A492-N511 HydrophobicContact CB-CB 3.71Å; A492-N511 VanDerWaalsContact CB-OD1 3.3Å; A492-N511 WeakPolarHBondContact CB-OD1 3.33Å; T509-N511 WeakPolarHBondContact CB-OD1 3.46Å; T509-N511 PolarHBondContact O-N 2.98Å; T509-N511 PolarHBondContact OG1-OD1 2.97Å; N511-D513 PolarHBondContact ND2-OD2 3.1Å; N511-D513 PolarHBondContact OD1-OD2 2.77Å
512	G	87.6	Confident	91.6	Very high	4 Å²	4	28.1 Å²	28.1	4%	0.041	16%	0.155	C	C	.	.	S	Bend	trans	94.4	9.5	176	0	0	0	0	0	115.7	T509 F530	T509-G512 PolarHBondContact O-N 3.38Å; G512-F530 WeakPolarHBondContact CA-O 3.3Å; G512-F530 WeakPolarHBondContact O-CB 3.42Å; G512-F530 PolarHBondContact O-N 3.23Å
513	D	90.9	Very high	91.8	Very high	16 Å²	16	32.7 Å²	32.7	9%	0.086	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	138.7	174.2	-53.5	-45.5	0	0	0	111.1	F508 T509 N511 V515 S529	F508-D513 WeakPolarHBondContact CA-O 3.36Å; T509-D513 PolarHBondContact N-O 3.31Å; T509-D513 WeakPolarHBondContact OG1-CB 3.49Å; T509-D513 PolarHBondContact OG1-O 3.45Å; N511-D513 PolarHBondContact ND2-OD2 3.1Å; N511-D513 PolarHBondContact OD1-OD2 2.77Å; D513-V515 HydrophobicContact CB-CG2 4.23Å; D513-S529 VanDerWaalsContact OD1-CB 3.24Å; D513-S529 WeakPolarHBondContact OD1-CB 3.31Å; D513-S529 PolarHBondContact OD1-OG 2.79Å
514	V	92.9	Very high	91.8	Very high	2 Å²	2	37 Å²	37	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	112	162.7	179.2	0	0	0	0	107.4	F506 S527 I528 F530 L533 I536 F545 I547	F506-V514 HydrophobicContact CD1-CG1 3.83Å; V514-S527 WeakPolarHBondContact O-CA 3.4Å; V514-I528 PolarHBondContact N-O 3.3Å; V514-I528 PolarHBondContact O-N 3.23Å; V514-F530 HydrophobicContact CB-CD2 4.48Å; V514-F530 HydrophobicContact CB-CE2 4.03Å; V514-F530 HydrophobicContact CG2-CD2 3.85Å; V514-F530 HydrophobicContact CG2-CE2 3.66Å; V514-L533 HydrophobicContact CG2-CD2 3.61Å; V514-I536 HydrophobicContact CG1-CD1 3.78Å; V514-I536 HydrophobicContact CG2-CD1 3.9Å; V514-F545 HydrophobicContact CG1-CE1 4.27Å; V514-F545 HydrophobicContact CG1-CE2 4.34Å; V514-F545 HydrophobicContact CG1-CZ 4.06Å; V514-I547 HydrophobicContact CG2-CG2 4.43Å
515	V	93.9	Very high	91.6	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.6	-175.7	-176.6	0	0	0	0	109.2	A489 F506 A507 D513 I517 R524	A489-V515 HydrophobicContact CB-CB 4.4Å; A489-V515 HydrophobicContact CB-CG1 4.48Å; A489-V515 HydrophobicContact CB-CG2 4.23Å; F506-V515 CarbonylContact C-O 3.49Å; F506-V515 WeakPolarHBondContact CA-O 3.33Å; A507-V515 HydrophobicContact CB-CB 4.47Å; A507-V515 PolarHBondContact N-O 3.3Å; A507-V515 PolarHBondContact O-N 2.83Å; D513-V515 HydrophobicContact CB-CG2 4.23Å; V515-I517 HydrophobicContact CG1-CD1 4.37Å; V515-I517 HydrophobicContact CG1-CG1 3.95Å; V515-R524 HydrophobicContact CG1-CG 3.67Å
516	E	94.3	Very high	91.3	Very high	7 Å²	7	43.5 Å²	43.5	3%	0.033	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	124.6	175.8	-168.7	-179.5	178.9	0	0	109.3	I504 F506 R524 L525 R526 Q564	I504-E516 HydrophobicContact CG2-CG 3.81Å; F506-E516 HydrophobicContact CD1-CB 4.01Å; F506-E516 HydrophobicContact CD1-CG 4.18Å; F506-E516 HydrophobicContact CE1-CB 3.69Å; F506-E516 HydrophobicContact CE1-CG 3.62Å; F506-E516 HydrophobicContact CZ-CG 4.03Å; E516-R524 CarbonylContact O-C 3.53Å; E516-R524 WeakPolarHBondContact O-CA 3.44Å; E516-L525 HydrophobicContact CB-CB 4.32Å; E516-L525 HydrophobicContact CG-CB 4.13Å; E516-L525 HydrophobicContact CG-CD1 4.26Å; E516-L525 PolarHBondContact O-N 3.35Å; E516-R526 HydrophobicContact CB-CB 3.78Å; E516-R526 PolarHBondContact N-O 3.45Å; E516-R526 PolarHBondContact O-N 2.89Å; E516-R526 WeakPolarHBondContact OE2-CB 3.48Å; E516-R526 IonicContact OE2-NE 3.49Å; E516-R526 PolarHBondContact OE2-NE 3.34Å; E516-Q564 PolarHBondContact OE1-NE2 3.44Å
517	I	94.6	Very high	91	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.4	-173.4	-55.1	177.8	0	0	0	109.2	V464 L505 A507 V515 T519	V464-I517 HydrophobicContact CB-CD1 4.06Å; V464-I517 HydrophobicContact CG1-CD1 4.25Å; V464-I517 HydrophobicContact CG2-CD1 3.9Å; L505-I517 PolarHBondContact N-O 3.35Å; L505-I517 PolarHBondContact O-N 3.46Å; A507-I517 HydrophobicContact CB-CD1 4.39Å; V515-I517 HydrophobicContact CG1-CD1 4.37Å; V515-I517 HydrophobicContact CG1-CG1 3.95Å; I517-T519 PolarHBondContact O-N 2.73Å
518	D	93.3	Very high	90.7	Very high	23 Å²	23	46.9 Å²	46.9	12%	0.123	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	118.4	161.6	168.9	-4.3	0	0	0	107.9	V520 T521 G522 K523 L525	D518-V520 WeakPolarHBondContact OD1-CA 3.4Å; D518-V520 WeakPolarHBondContact OD1-CB 3.26Å; D518-V520 PolarHBondContact OD1-N 2.83Å; D518-T521 PolarHBondContact OD1-N 3.36Å; D518-T521 WeakPolarHBondContact OD2-CB 3.43Å; D518-T521 WeakPolarHBondContact OD2-CG2 3.42Å; D518-T521 PolarHBondContact OD2-OG1 2.93Å; D518-G522 CarbonylContact O-C 3.58Å; D518-G522 WeakPolarHBondContact O-CA 3.03Å; D518-G522 PolarHBondContact O-N 3.5Å; D518-K523 PolarHBondContact N-O 2.82Å; D518-K523 PolarHBondContact O-N 2.83Å; D518-L525 HydrophobicContact CB-CD1 4.02Å; D518-L525 HydrophobicContact CB-CD2 3.89Å; D518-L525 HydrophobicContact CB-CG 3.88Å
519	T	92.5	Very high	90.4	Very high	16 Å²	16	49.9 Å²	49.9	10%	0.098	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-7.5	-175.7	65.3	0	0	0	0	114	I466 W499 D502 I503 L505 I517	I466-T519 HydrophobicContact CD1-CG2 3.28Å; W499-T519 HydrophobicContact CH2-CG2 3.82Å; W499-T519 HydrophobicContact CZ3-CG2 3.6Å; D502-T519 PolarHBondContact O-OG1 3.32Å; I503-T519 WeakPolarHBondContact O-CB 3.31Å; I503-T519 WeakPolarHBondContact O-CG2 3.32Å; I503-T519 PolarHBondContact O-N 3.35Å; I503-T519 PolarHBondContact O-OG1 2.64Å; L505-T519 HydrophobicContact CB-CG2 3.53Å; L505-T519 HydrophobicContact CD2-CG2 4.34Å; I517-T519 PolarHBondContact O-N 2.73Å
520	V	89	Confident	89.9	Confident	99 Å²	99	51.2 Å²	51.2	60%	0.6	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-52.2	173.7	178.1	0	0	0	0	110	I503 D518	I503-V520 HydrophobicContact CG1-CG2 4.05Å; I503-V520 HydrophobicContact CG2-CG2 4.13Å; D518-V520 WeakPolarHBondContact OD1-CA 3.4Å; D518-V520 WeakPolarHBondContact OD1-CB 3.26Å; D518-V520 PolarHBondContact OD1-N 2.83Å
521	T	89.6	Confident	89.4	Confident	68 Å²	68	49.1 Å²	49.1	42%	0.417	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-19.3	176.2	70	0	0	0	0	112.9	R487 D518 K523	R487-T521 PolarHBondContact NH2-O 2.89Å; D518-T521 PolarHBondContact OD1-N 3.36Å; D518-T521 WeakPolarHBondContact OD2-CB 3.43Å; D518-T521 WeakPolarHBondContact OD2-CG2 3.42Å; D518-T521 PolarHBondContact OD2-OG1 2.93Å; T521-K523 PolarHBondContact O-N 2.89Å; T521-K523 WeakPolarHBondContact OG1-CB 3.47Å; T521-K523 WeakPolarHBondContact OG1-CG 3.42Å; T521-K523 PolarHBondContact OG1-N 2.89Å; T521-K523 VanDerWaalsContact OG1-N 3.17Å
522	G	86.3	Confident	88.9	Confident	6 Å²	6	48.7 Å²	48.7	6%	0.062	26%	0.255	C	S	.	.			trans	69.8	11.4	-169.6	0	0	0	0	0	113.9	R487 D518	R487-G522 WeakPolarHBondContact CD-O 3.41Å; R487-G522 WeakPolarHBondContact CG-O 3.34Å; R487-G522 PolarHBondContact NE-O 2.85Å; D518-G522 CarbonylContact O-C 3.58Å; D518-G522 WeakPolarHBondContact O-CA 3.03Å; D518-G522 PolarHBondContact O-N 3.5Å
523	K	89.4	Confident	88.6	Confident	140 Å²	140	49.3 Å²	49.3	61%	0.609	26%	0.257	S	S	*	.			trans	-76	140.8	178.8	-70.6	179.1	178.1	-179.8	0	110.5	D518 T521 L525	D518-K523 PolarHBondContact N-O 2.82Å; D518-K523 PolarHBondContact O-N 2.83Å; T521-K523 PolarHBondContact O-N 2.89Å; T521-K523 WeakPolarHBondContact OG1-CB 3.47Å; T521-K523 WeakPolarHBondContact OG1-CG 3.42Å; T521-K523 PolarHBondContact OG1-N 2.89Å; T521-K523 VanDerWaalsContact OG1-N 3.17Å; K523-L525 PolarHBondContact O-N 2.82Å
524	R	90.9	Very high	88.3	Confident	158 Å²	158	50 Å²	50	60%	0.596	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	110.4	163.9	-179.8	176.3	69.6	-173.5	0.1	108.2	V515 E516 R526	V515-R524 HydrophobicContact CG1-CG 3.67Å; E516-R524 CarbonylContact O-C 3.53Å; E516-R524 WeakPolarHBondContact O-CA 3.44Å; R524-R526 WeakPolarHBondContact CG-O 3.14Å
525	L	88.2	Confident	88.1	Confident	92 Å²	92	50.3 Å²	50.3	48%	0.482	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-43.8	178.3	-62.3	-178.8	0	0	0	111.3	I504 E516 D518 K523	I504-L525 HydrophobicContact CG1-CD1 4.32Å; E516-L525 HydrophobicContact CB-CB 4.32Å; E516-L525 HydrophobicContact CG-CB 4.13Å; E516-L525 HydrophobicContact CG-CD1 4.26Å; E516-L525 PolarHBondContact O-N 3.35Å; D518-L525 HydrophobicContact CB-CD1 4.02Å; D518-L525 HydrophobicContact CB-CD2 3.89Å; D518-L525 HydrophobicContact CB-CG 3.88Å; K523-L525 PolarHBondContact O-N 2.82Å
526	R	87.7	Confident	88	Confident	68 Å²	68	50.8 Å²	50.8	26%	0.257	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	157	-173.5	-162.1	-178.3	-69.9	-153.7	-8.5	110.7	E516 R524 I528 Q564 E565 C566	E516-R526 HydrophobicContact CB-CB 3.78Å; E516-R526 PolarHBondContact N-O 3.45Å; E516-R526 PolarHBondContact O-N 2.89Å; E516-R526 WeakPolarHBondContact OE2-CB 3.48Å; E516-R526 IonicContact OE2-NE 3.49Å; E516-R526 PolarHBondContact OE2-NE 3.34Å; R524-R526 WeakPolarHBondContact CG-O 3.14Å; R526-I528 HydrophobicContact CG-CG1 4.13Å; R526-Q564 VanDerWaalsContact CZ-O 3.31Å; R526-Q564 PolarHBondContact NH1-O 2.84Å; R526-E565 VanDerWaalsContact NH1-C 3.35Å; R526-E565 PolarHBondContact NH1-O 2.92Å; R526-E565 PolarHBondContact NH2-O 2.77Å; R526-C566 VanDerWaalsContact NH1-C 3.33Å; R526-C566 PolarHBondContact NH1-O 3.27Å; R526-C566 VanDerWaalsContact NH1-O 3.16Å
527	S	89.8	Confident	87.8	Confident	50 Å²	50	51.4 Å²	51.4	35%	0.35	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	126.8	167.1	-162.5	0	0	0	0	107.9	V514	V514-S527 WeakPolarHBondContact O-CA 3.4Å
528	I	88.2	Confident	87.6	Confident	27 Å²	27	52.3 Å²	52.3	14%	0.138	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	118.1	176.7	-49.1	177.3	0	0	0	107.9	V514 R526 F530 F545	V514-I528 PolarHBondContact N-O 3.3Å; V514-I528 PolarHBondContact O-N 3.23Å; R526-I528 HydrophobicContact CG-CG1 4.13Å; I528-F530 HydrophobicContact CB-CE2 3.81Å; I528-F530 HydrophobicContact CB-CZ 4.04Å; I528-F530 HydrophobicContact CG2-CD2 4.32Å; I528-F530 HydrophobicContact CG2-CE1 3.95Å; I528-F530 HydrophobicContact CG2-CE2 3.57Å; I528-F530 HydrophobicContact CG2-CZ 3.36Å; I528-F530 WeakPolarHBondContact O-CD2 3.44Å; I528-F545 HydrophobicContact CD1-CZ 4.34Å
529	S	88.1	Confident	87.2	Confident	68 Å²	68	52 Å²	52	48%	0.476	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	130.1	-179.6	-55.3	0	0	0	0	111	D513	D513-S529 VanDerWaalsContact OD1-CB 3.24Å; D513-S529 WeakPolarHBondContact OD1-CB 3.31Å; D513-S529 PolarHBondContact OD1-OG 2.79Å
530	F	83.9	Confident	86.5	Confident	29 Å²	29	53.9 Å²	53.9	13%	0.127	29%	0.287	C	S	.	.			trans	-120.2	142.8	-178.8	-63.5	-79.1	0	0	0	111.1	G512 V514 I528 L533 F545 I547 M549 F562	G512-F530 WeakPolarHBondContact CA-O 3.3Å; G512-F530 WeakPolarHBondContact O-CB 3.42Å; G512-F530 PolarHBondContact O-N 3.23Å; V514-F530 HydrophobicContact CB-CD2 4.48Å; V514-F530 HydrophobicContact CB-CE2 4.03Å; V514-F530 HydrophobicContact CG2-CD2 3.85Å; V514-F530 HydrophobicContact CG2-CE2 3.66Å; I528-F530 HydrophobicContact CB-CE2 3.81Å; I528-F530 HydrophobicContact CB-CZ 4.04Å; I528-F530 HydrophobicContact CG2-CD2 4.32Å; I528-F530 HydrophobicContact CG2-CE1 3.95Å; I528-F530 HydrophobicContact CG2-CE2 3.57Å; I528-F530 HydrophobicContact CG2-CZ 3.36Å; I528-F530 WeakPolarHBondContact O-CD2 3.44Å; F530-L533 HydrophobicContact CB-CB 3.84Å; F530-L533 HydrophobicContact CB-CD2 4.25Å; F530-L533 HydrophobicContact CD2-CD2 3.92Å; F530-L533 HydrophobicContact CG-CD2 4.43Å; F530-F545 HydrophobicContact CZ-CE2 4.49Å; F530-I547 HydrophobicContact CD1-CD1 3.58Å; F530-I547 HydrophobicContact CD2-CD1 4.05Å; F530-I547 HydrophobicContact CE1-CD1 3.49Å; F530-I547 VanDerWaalsContact CE1-CD1 3.49Å; F530-I547 HydrophobicContact CE2-CD1 3.94Å; F530-I547 HydrophobicContact CG-CD1 3.86Å; F530-I547 HydrophobicContact CZ-CD1 3.65Å; F530-M549 HydrophobicContact CB-CE 4.26Å; F530-M549 HydrophobicContact CD1-CE 4.24Å; F530-M549 HydrophobicContact CD1-SD 4.13Å; F530-F562 HydrophobicContact CE1-CE1 4.32Å; F530-F562 AromaticContact CE1-CE2 3.9Å; F530-F562 HydrophobicContact CE1-CE2 3.9Å; F530-F562 AromaticContact CE1-CZ 3.5Å; F530-F562 HydrophobicContact CE1-CZ 3.5Å; F530-F562 HydrophobicContact CZ-CE1 4.19Å; F530-F562 AromaticContact CZ-CE2 3.78Å; F530-F562 HydrophobicContact CZ-CE2 3.78Å; F530-F562 AromaticContact CZ-CZ 3.6Å; F530-F562 HydrophobicContact CZ-CZ 3.6Å
531	V	78.8	Confident	85.9	Confident	76 Å²	76	50.6 Å²	50.6	46%	0.461	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	131.1	171.4	-178.4	0	0	0	0	108.4	T77 L533 M549	T77-V531 HydrophobicContact CG2-CG2 4.4Å; V531-L533 PolarHBondContact O-N 2.88Å; V531-M549 WeakPolarHBondContact O-CE 3.45Å
532	N	76.8	Confident	85.2	Confident	68 Å²	68	47.6 Å²	47.6	36%	0.364	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	40.9	-178.9	-52.5	-11.5	0	0	0	114.6	D534 M549 M550	N532-D534 PolarHBondContact O-N 3.05Å; N532-M549 VanDerWaalsContact O-CA 3.27Å; N532-M549 WeakPolarHBondContact O-CA 3.23Å; N532-M550 WeakPolarHBondContact CB-O 3.25Å; N532-M550 PolarHBondContact ND2-O 3.49Å; N532-M550 PolarHBondContact O-N 2.88Å
533	L	82.7	Confident	84.5	Confident	17 Å²	17	49.5 Å²	49.5	9%	0.089	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	113.9	168.7	173.8	57.6	0	0	0	110	F508 V514 F530 V531 S535 I547	F508-L533 HydrophobicContact CD2-CD2 3.32Å; F508-L533 HydrophobicContact CD2-CG 3.81Å; F508-L533 HydrophobicContact CE2-CB 4.14Å; F508-L533 HydrophobicContact CE2-CD2 3.41Å; F508-L533 VanDerWaalsContact CE2-CD2 3.41Å; F508-L533 HydrophobicContact CE2-CG 3.39Å; F508-L533 HydrophobicContact CG-CD2 4.24Å; F508-L533 HydrophobicContact CZ-CD2 4.34Å; F508-L533 HydrophobicContact CZ-CG 3.89Å; V514-L533 HydrophobicContact CG2-CD2 3.61Å; F530-L533 HydrophobicContact CB-CB 3.84Å; F530-L533 HydrophobicContact CB-CD2 4.25Å; F530-L533 HydrophobicContact CD2-CD2 3.92Å; F530-L533 HydrophobicContact CG-CD2 4.43Å; V531-L533 PolarHBondContact O-N 2.88Å; L533-S535 WeakPolarHBondContact CD1-O 3.21Å; L533-I547 HydrophobicContact CD1-CB 3.41Å; L533-I547 VanDerWaalsContact CD1-CB 3.41Å; L533-I547 HydrophobicContact CD1-CD1 4.11Å; L533-I547 HydrophobicContact CD1-CG1 4.3Å; L533-I547 HydrophobicContact CD1-CG2 3.46Å; L533-I547 VanDerWaalsContact CD1-CG2 3.46Å; L533-I547 HydrophobicContact CD2-CG2 4.42Å
534	D	84.5	Confident	84	Confident	31 Å²	31	42.8 Å²	42.8	17%	0.166	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	-46.8	-177.8	-61.8	-53.4	0	0	0	111.9	N532 S548 M550 S580 V581	N532-D534 PolarHBondContact O-N 3.05Å; D534-S548 PolarHBondContact N-O 3.47Å; D534-M550 WeakPolarHBondContact OD2-CB 3.31Å; D534-M550 PolarHBondContact OD2-N 3.39Å; D534-S580 WeakPolarHBondContact OD1-CB 3.45Å; D534-S580 PolarHBondContact OD1-OG 3.32Å; D534-V581 HydrophobicContact CB-CB 4.41Å; D534-V581 WeakPolarHBondContact CB-O 2.93Å
535	S	87.6	Confident	83.7	Confident	9 Å²	9	35.5 Å²	35.5	6%	0.063	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	158.1	-172.1	-176.6	0	0	0	0	111.3	L533 I547 S548 V581 M584	L533-S535 WeakPolarHBondContact CD1-O 3.21Å; S535-I547 CarbonylContact O-C 3.55Å; S535-I547 WeakPolarHBondContact O-CA 3.4Å; S535-S548 PolarHBondContact O-N 2.85Å; S535-V581 WeakPolarHBondContact CB-O 3.15Å; S535-M584 VanDerWaalsContact C-CE 3.47Å; S535-M584 WeakPolarHBondContact O-CE 3.42Å
536	I	91.6	Very high	83.6	Confident	10 Å²	10	31.1 Å²	31.1	5%	0.051	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.2	176.5	-169.2	167.2	0	0	0	110.2	T496 F508 V514 V538 F545 H546 I547	T496-I536 HydrophobicContact CG2-CG2 3.7Å; F508-I536 HydrophobicContact CB-CB 4.21Å; F508-I536 HydrophobicContact CB-CG2 3.5Å; F508-I536 HydrophobicContact CD1-CB 4.46Å; F508-I536 HydrophobicContact CD1-CG2 3.88Å; F508-I536 HydrophobicContact CG-CB 4.47Å; F508-I536 HydrophobicContact CG-CG2 4.01Å; V514-I536 HydrophobicContact CG1-CD1 3.78Å; V514-I536 HydrophobicContact CG2-CD1 3.9Å; I536-V538 HydrophobicContact CD1-CG2 4.13Å; I536-V538 HydrophobicContact CG1-CG2 4.11Å; I536-F545 HydrophobicContact CD1-CB 4.28Å; I536-F545 HydrophobicContact CD1-CD2 3.87Å; I536-F545 HydrophobicContact CD1-CE2 4.44Å; I536-F545 HydrophobicContact CD1-CG 4.13Å; I536-F545 HydrophobicContact CG1-CB 4.4Å; I536-F545 HydrophobicContact CG1-CD2 4.26Å; I536-H546 CarbonylContact C-O 3.52Å; I536-H546 WeakPolarHBondContact CA-O 3.44Å; I536-H546 WeakPolarHBondContact CG1-O 3.28Å; I536-I547 HydrophobicContact CB-CG2 4.07Å; I536-I547 HydrophobicContact CD1-CG2 4.06Å; I536-I547 HydrophobicContact CG1-CG2 3.79Å
537	L	90.8	Very high	83.5	Confident	21 Å²	21	27.9 Å²	27.9	11%	0.11	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116.3	170	178.8	66.9	0	0	0	108.7	F542 H546 M584 L586 V593	L537-F542 HydrophobicContact CD2-CE2 4.03Å; L537-F542 HydrophobicContact CD2-CZ 4.39Å; L537-F542 HydrophobicContact CG-CE2 4.15Å; L537-H546 PolarHBondContact N-O 2.76Å; L537-H546 PolarHBondContact O-N 3.31Å; L537-M584 HydrophobicContact CB-CB 4.26Å; L537-M584 HydrophobicContact CB-CE 3.88Å; L537-L586 HydrophobicContact CD2-CB 4.27Å; L537-V593 HydrophobicContact CD2-CB 4.27Å; L537-V593 HydrophobicContact CD2-CG1 3.78Å; L537-V593 HydrophobicContact CD2-CG2 3.49Å; L537-V593 VanDerWaalsContact CD2-CG2 3.49Å
538	V	90.3	Very high	83.3	Confident	22 Å²	22	25.5 Å²	25.5	13%	0.133	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	140.9	173.7	-169.9	0	0	0	0	107.8	W499 F506 I536 F545	W499-V538 WeakPolarHBondContact O-CG1 3.35Å; F506-V538 HydrophobicContact CB-CG2 4.06Å; F506-V538 HydrophobicContact CD2-CG1 4.01Å; F506-V538 HydrophobicContact CD2-CG2 4.36Å; I536-V538 HydrophobicContact CD1-CG2 4.13Å; I536-V538 HydrophobicContact CG1-CG2 4.11Å; V538-F545 HydrophobicContact CG2-CB 4.2Å
539	S	84.7	Confident	83	Confident	18 Å²	18	25.4 Å²	25.4	13%	0.126	15%	0.149	C	C	.	.			trans	-155.2	139.7	172.1	-175.3	0	0	0	0	109.9	L541 F542	S539-L541 PolarHBondContact O-N 2.91Å; S539-L541 VanDerWaalsContact O-N 3.09Å; S539-L541 PolarHBondContact OG-N 3.16Å; S539-F542 WeakPolarHBondContact O-CB 3.2Å; S539-F542 PolarHBondContact O-N 2.88Å
540	P	78	Confident	82.2	Confident	54 Å²	54	23.1 Å²	23.1	35%	0.351	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-12	170.6	-18.5	28.4	0	0	0	114.3	P448 M449	P448-P540 HydrophobicContact CB-CG 4.12Å; P448-P540 HydrophobicContact CG-CG 3.29Å; M449-P540 HydrophobicContact CE-CB 4.35Å; M449-P540 HydrophobicContact CE-CG 4.42Å
541	L	75.6	Confident	81.4	Confident	30 Å²	30	25 Å²	25	16%	0.157	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-10.7	172.8	-62.5	-176.2	0	0	0	113.4	F218 S539 L586 P588 M591	F218-L541 HydrophobicContact CB-CD1 3.79Å; F218-L541 HydrophobicContact CB-CD2 3.73Å; F218-L541 HydrophobicContact CB-CG 4.38Å; F218-L541 HydrophobicContact CD2-CD1 3.57Å; F218-L541 HydrophobicContact CD2-CD2 3.99Å; F218-L541 HydrophobicContact CD2-CG 4.07Å; F218-L541 HydrophobicContact CE2-CD1 4.37Å; F218-L541 HydrophobicContact CG-CD1 3.85Å; F218-L541 HydrophobicContact CG-CD2 4.32Å; S539-L541 PolarHBondContact O-N 2.91Å; S539-L541 VanDerWaalsContact O-N 3.09Å; S539-L541 PolarHBondContact OG-N 3.16Å; L541-L586 HydrophobicContact CB-CD2 4.26Å; L541-L586 HydrophobicContact CD1-CD2 3.82Å; L541-P588 HydrophobicContact CD1-CB 4.31Å; L541-M591 HydrophobicContact CB-CE 4.12Å; L541-M591 HydrophobicContact CB-SD 4.47Å; L541-M591 HydrophobicContact CD1-SD 4.12Å
542	F	75.2	Confident	80.4	Confident	6 Å²	6	27 Å²	27	3%	0.026	15%	0.15	C	C	.	.	S	Bend	trans	-102.7	151.1	176.9	-58.3	-30.6	0	0	0	109.3	Y500 L537 S539 G544 H546 L586 M591 V593 V607 F609	Y500-F542 VanDerWaalsContact CE2-O 3.3Å; Y500-F542 WeakPolarHBondContact CE2-O 3.46Å; L537-F542 HydrophobicContact CD2-CE2 4.03Å; L537-F542 HydrophobicContact CD2-CZ 4.39Å; L537-F542 HydrophobicContact CG-CE2 4.15Å; S539-F542 WeakPolarHBondContact O-CB 3.2Å; S539-F542 PolarHBondContact O-N 2.88Å; F542-G544 WeakPolarHBondContact CB-O 3.35Å; F542-G544 PolarHBondContact O-N 3.33Å; F542-G544 VanDerWaalsContact O-N 3.13Å; F542-H546 AromaticContact CD1-NE2 3.9Å; F542-H546 AromaticContact CD2-CD2 3.57Å; F542-H546 AromaticContact CD2-NE2 3.81Å; F542-H546 AromaticContact CE1-NE2 3.77Å; F542-H546 AromaticContact CE2-CD2 3.31Å; F542-H546 WeakPolarHBondContact CE2-CD2 3.36Å; F542-H546 AromaticContact CE2-NE2 3.72Å; F542-H546 AromaticContact CG-NE2 3.9Å; F542-H546 AromaticContact CZ-CD2 3.62Å; F542-H546 AromaticContact CZ-NE2 3.65Å; F542-L586 HydrophobicContact CE1-CD1 4.08Å; F542-L586 HydrophobicContact CE1-CD2 3.84Å; F542-L586 HydrophobicContact CE2-CD2 4.1Å; F542-L586 HydrophobicContact CZ-CB 4.47Å; F542-L586 HydrophobicContact CZ-CD1 3.74Å; F542-L586 HydrophobicContact CZ-CD2 3.51Å; F542-L586 HydrophobicContact CZ-CG 4.1Å; F542-M591 HydrophobicContact CD1-CE 4.16Å; F542-M591 HydrophobicContact CE1-CE 3.96Å; F542-V593 HydrophobicContact CZ-CG2 4.07Å; F542-V607 HydrophobicContact CD1-CG1 4.19Å; F542-V607 HydrophobicContact CE1-CB 4.23Å; F542-V607 HydrophobicContact CE1-CG1 3.91Å; F542-V607 HydrophobicContact CE1-CG2 3.91Å; F542-V607 HydrophobicContact CZ-CG2 4.02Å; F542-F609 HydrophobicContact CB-CE1 4.37Å; F542-F609 HydrophobicContact CB-CE2 4.03Å; F542-F609 HydrophobicContact CB-CZ 3.51Å; F542-F609 AromaticContact CD1-CE2 3.63Å; F542-F609 HydrophobicContact CD1-CE2 3.63Å; F542-F609 AromaticContact CD1-CZ 3.66Å; F542-F609 HydrophobicContact CD1-CZ 3.66Å; F542-F609 HydrophobicContact CD2-CZ 4.49Å; F542-F609 HydrophobicContact CE1-CE2 4.42Å; F542-F609 HydrophobicContact CE1-CZ 4.49Å; F542-F609 HydrophobicContact CG-CE2 4.07Å; F542-F609 AromaticContact CG-CZ 3.64Å; F542-F609 HydrophobicContact CG-CZ 3.64Å
543	P	71.9	Confident	79.3	Confident	45 Å²	45	28.2 Å²	28.2	29%	0.292	16%	0.162	S	C	.	.	S	Bend	trans	-74.1	15.6	166.9	34.3	-37.4	0	0	0	113.1	Y500 V563 Q564 F609	Y500-P543 WeakPolarHBondContact OH-CA 3.46Å; Y500-P543 PolarHBondContact OH-O 3.19Å; P543-V563 HydrophobicContact CB-CG1 4.45Å; P543-V563 HydrophobicContact CB-CG2 4.14Å; P543-V563 HydrophobicContact CG-CG2 3.95Å; P543-V563 CarbonylContact O-C 3.58Å; P543-V563 VanDerWaalsContact O-CA 3.23Å; P543-V563 WeakPolarHBondContact O-CA 3.37Å; P543-Q564 PolarHBondContact O-N 3.11Å; P543-F609 HydrophobicContact CG-CB 4.13Å; P543-F609 HydrophobicContact CG-CD1 3.62Å; P543-F609 HydrophobicContact CG-CD2 3.86Å; P543-F609 HydrophobicContact CG-CE1 3.95Å; P543-F609 HydrophobicContact CG-CE2 4.18Å; P543-F609 HydrophobicContact CG-CG 3.58Å; P543-F609 HydrophobicContact CG-CZ 4.23Å
544	G	79.6	Confident	77.8	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.3	-125.5	177.7	0	0	0	0	0	111.3	Y500 F542 F562	Y500-G544 VanDerWaalsContact CE2-CA 3.44Å; Y500-G544 VanDerWaalsContact CE2-N 3.31Å; F542-G544 WeakPolarHBondContact CB-O 3.35Å; F542-G544 PolarHBondContact O-N 3.33Å; F542-G544 VanDerWaalsContact O-N 3.13Å; G544-F562 CarbonylContact C-O 3.42Å; G544-F562 WeakPolarHBondContact CA-O 3.35Å
545	F	84.2	Confident	76.5	Confident	4 Å²	4	32.8 Å²	32.8	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	157.8	-174.7	62.9	-96	0	0	0	113.2	F506 V514 I528 F530 I536 V538 I547 F562	F506-F545 HydrophobicContact CD1-CD1 4.27Å; F506-F545 HydrophobicContact CD1-CE1 4.35Å; F506-F545 HydrophobicContact CD2-CD1 4.34Å; F506-F545 AromaticContact CE1-CD1 3.89Å; F506-F545 HydrophobicContact CE1-CD1 3.89Å; F506-F545 AromaticContact CE1-CE1 3.81Å; F506-F545 HydrophobicContact CE1-CE1 3.81Å; F506-F545 AromaticContact CE2-CD1 3.97Å; F506-F545 HydrophobicContact CE2-CD1 3.97Å; F506-F545 HydrophobicContact CG-CD1 4.48Å; F506-F545 AromaticContact CZ-CD1 3.74Å; F506-F545 HydrophobicContact CZ-CD1 3.74Å; F506-F545 AromaticContact CZ-CE1 3.98Å; F506-F545 HydrophobicContact CZ-CE1 3.98Å; V514-F545 HydrophobicContact CG1-CE1 4.27Å; V514-F545 HydrophobicContact CG1-CE2 4.34Å; V514-F545 HydrophobicContact CG1-CZ 4.06Å; I528-F545 HydrophobicContact CD1-CZ 4.34Å; F530-F545 HydrophobicContact CZ-CE2 4.49Å; I536-F545 HydrophobicContact CD1-CB 4.28Å; I536-F545 HydrophobicContact CD1-CD2 3.87Å; I536-F545 HydrophobicContact CD1-CE2 4.44Å; I536-F545 HydrophobicContact CD1-CG 4.13Å; I536-F545 HydrophobicContact CG1-CB 4.4Å; I536-F545 HydrophobicContact CG1-CD2 4.26Å; V538-F545 HydrophobicContact CG2-CB 4.2Å; F545-I547 HydrophobicContact CD2-CG2 3.93Å; F545-I547 HydrophobicContact CE2-CG2 3.97Å; F545-F562 HydrophobicContact CD1-CB 4.2Å; F545-F562 HydrophobicContact CD2-CB 4.25Å; F545-F562 AromaticContact CD2-CD2 3.95Å; F545-F562 HydrophobicContact CD2-CD2 3.95Å; F545-F562 HydrophobicContact CD2-CG 4.43Å; F545-F562 HydrophobicContact CE1-CB 3.83Å; F545-F562 HydrophobicContact CE1-CG 4.31Å; F545-F562 HydrophobicContact CE2-CB 3.9Å; F545-F562 AromaticContact CE2-CD2 3.3Å; F545-F562 HydrophobicContact CE2-CD2 3.3Å; F545-F562 HydrophobicContact CE2-CE2 4.03Å; F545-F562 AromaticContact CE2-CG 3.73Å; F545-F562 HydrophobicContact CE2-CG 3.73Å; F545-F562 HydrophobicContact CG-CB 4.4Å; F545-F562 HydrophobicContact CZ-CB 3.67Å; F545-F562 HydrophobicContact CZ-CD1 4.36Å; F545-F562 AromaticContact CZ-CD2 3.74Å; F545-F562 HydrophobicContact CZ-CD2 3.74Å; F545-F562 AromaticContact CZ-CG 3.65Å; F545-F562 HydrophobicContact CZ-CG 3.65Å; F545-F562 PolarHBondContact N-O 2.76Å; F545-F562 PolarHBondContact O-N 2.87Å
546	H	85	Confident	75	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	142.4	166.9	-61.9	-71.4	0	0	0	110.2	I536 L537 F542 S561 V607 F609	I536-H546 CarbonylContact C-O 3.52Å; I536-H546 WeakPolarHBondContact CA-O 3.44Å; I536-H546 WeakPolarHBondContact CG1-O 3.28Å; L537-H546 PolarHBondContact N-O 2.76Å; L537-H546 PolarHBondContact O-N 3.31Å; F542-H546 AromaticContact CD1-NE2 3.9Å; F542-H546 AromaticContact CD2-CD2 3.57Å; F542-H546 AromaticContact CD2-NE2 3.81Å; F542-H546 AromaticContact CE1-NE2 3.77Å; F542-H546 AromaticContact CE2-CD2 3.31Å; F542-H546 WeakPolarHBondContact CE2-CD2 3.36Å; F542-H546 AromaticContact CE2-NE2 3.72Å; F542-H546 AromaticContact CG-NE2 3.9Å; F542-H546 AromaticContact CZ-CD2 3.62Å; F542-H546 AromaticContact CZ-NE2 3.65Å; H546-S561 PolarHBondContact CE1-OG 2.87Å; H546-S561 VanDerWaalsContact ND1-CB 3.34Å; H546-S561 WeakPolarHBondContact ND1-CB 3.37Å; H546-S561 PolarHBondContact ND1-OG 3.14Å; H546-V607 VanDerWaalsContact NE2-CG1 3.26Å; H546-V607 WeakPolarHBondContact NE2-CG1 3.29Å; H546-F609 AromaticContact CE1-CE1 3.53Å; H546-F609 AromaticContact CE1-CZ 3.29Å; H546-F609 WeakPolarHBondContact CE1-CZ 3.34Å; H546-F609 AromaticContact NE2-CE1 3.84Å; H546-F609 AromaticContact NE2-CE2 3.93Å; H546-F609 AromaticContact NE2-CZ 3.16Å; H546-F609 WeakPolarHBondContact NE2-CZ 3.38Å
547	I	86.2	Confident	73.8	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	158.6	168.1	52.9	176.1	0	0	0	110.7	V514 F530 L533 S535 I536 F545 M549 Y559 P560 F562	V514-I547 HydrophobicContact CG2-CG2 4.43Å; F530-I547 HydrophobicContact CD1-CD1 3.58Å; F530-I547 HydrophobicContact CD2-CD1 4.05Å; F530-I547 HydrophobicContact CE1-CD1 3.49Å; F530-I547 VanDerWaalsContact CE1-CD1 3.49Å; F530-I547 HydrophobicContact CE2-CD1 3.94Å; F530-I547 HydrophobicContact CG-CD1 3.86Å; F530-I547 HydrophobicContact CZ-CD1 3.65Å; L533-I547 HydrophobicContact CD1-CB 3.41Å; L533-I547 VanDerWaalsContact CD1-CB 3.41Å; L533-I547 HydrophobicContact CD1-CD1 4.11Å; L533-I547 HydrophobicContact CD1-CG1 4.3Å; L533-I547 HydrophobicContact CD1-CG2 3.46Å; L533-I547 VanDerWaalsContact CD1-CG2 3.46Å; L533-I547 HydrophobicContact CD2-CG2 4.42Å; S535-I547 CarbonylContact O-C 3.55Å; S535-I547 WeakPolarHBondContact O-CA 3.4Å; I536-I547 HydrophobicContact CB-CG2 4.07Å; I536-I547 HydrophobicContact CD1-CG2 4.06Å; I536-I547 HydrophobicContact CG1-CG2 3.79Å; F545-I547 HydrophobicContact CD2-CG2 3.93Å; F545-I547 HydrophobicContact CE2-CG2 3.97Å; I547-M549 HydrophobicContact CD1-CG 3.95Å; I547-M549 HydrophobicContact CD1-SD 3.63Å; I547-M549 HydrophobicContact CG1-CG 4.3Å; I547-M549 HydrophobicContact CG1-SD 4.35Å; I547-Y559 VanDerWaalsContact O-CA 3.25Å; I547-Y559 WeakPolarHBondContact O-CA 3.42Å; I547-Y559 WeakPolarHBondContact O-CD1 3.34Å; I547-P560 HydrophobicContact CD1-CG 3.95Å; I547-P560 HydrophobicContact CG1-CB 4.34Å; I547-P560 HydrophobicContact CG1-CG 3.72Å; I547-P560 PolarHBondContact N-O 2.93Å; I547-P560 VanDerWaalsContact N-O 3.14Å; I547-F562 HydrophobicContact CD1-CE2 3.76Å; I547-F562 HydrophobicContact CG1-CE2 4Å
548	S	85.6	Confident	72.5	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.8	163.9	-176.4	0	0	0	0	109.3	D534 S535 M558 V581	D534-S548 PolarHBondContact N-O 3.47Å; S535-S548 PolarHBondContact O-N 2.85Å; S548-M558 CarbonylContact C-O 3.52Å; S548-M558 WeakPolarHBondContact CA-O 3.45Å; S548-V581 VanDerWaalsContact OG-CB 3.31Å; S548-V581 WeakPolarHBondContact OG-CB 3.42Å; S548-V581 WeakPolarHBondContact OG-CG2 3.33Å
549	M	81	Confident	71.5	Confident	26 Å²	26	33.3 Å²	33.3	13%	0.128	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	119.1	178.2	-60.2	172.6	69.5	0	0	111.4	F530 V531 N532 I547 L551 S557 M558 P560	F530-M549 HydrophobicContact CB-CE 4.26Å; F530-M549 HydrophobicContact CD1-CE 4.24Å; F530-M549 HydrophobicContact CD1-SD 4.13Å; V531-M549 WeakPolarHBondContact O-CE 3.45Å; N532-M549 VanDerWaalsContact O-CA 3.27Å; N532-M549 WeakPolarHBondContact O-CA 3.23Å; I547-M549 HydrophobicContact CD1-CG 3.95Å; I547-M549 HydrophobicContact CD1-SD 3.63Å; I547-M549 HydrophobicContact CG1-CG 4.3Å; I547-M549 HydrophobicContact CG1-SD 4.35Å; M549-L551 PolarHBondContact O-N 2.77Å; M549-S557 CarbonylContact O-C 3.5Å; M549-S557 WeakPolarHBondContact O-CA 3.47Å; M549-M558 PolarHBondContact N-O 3.01Å; M549-M558 PolarHBondContact O-N 3.16Å; M549-P560 HydrophobicContact CG-CG 4.43Å; M549-P560 HydrophobicContact SD-CG 3.61Å
550	M	72.8	Confident	70.7	Confident	20 Å²	20	32.8 Å²	32.8	10%	0.099	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	118.9	172.3	177	174	-81.3	0	0	111.6	N532 D534	N532-M550 WeakPolarHBondContact CB-O 3.25Å; N532-M550 PolarHBondContact ND2-O 3.49Å; N532-M550 PolarHBondContact O-N 2.88Å; D534-M550 WeakPolarHBondContact OD2-CB 3.31Å; D534-M550 PolarHBondContact OD2-N 3.39Å
551	L	66.4	Low	70.5	Confident	69 Å²	69	30.4 Å²	30.4	36%	0.361	18%	0.177	S	C	.	.			trans	-70.5	135	165	-70.3	171.6	0	0	0	110.7	M549 C553 T556 M558	M549-L551 PolarHBondContact O-N 2.77Å; L551-C553 PolarHBondContact O-N 2.77Å; L551-T556 WeakPolarHBondContact CB-O 3.44Å; L551-T556 HydrophobicContact CD1-CG2 4.11Å; L551-T556 PolarHBondContact N-O 3.3Å; L551-M558 HydrophobicContact CD1-CG 3.7Å; L551-M558 HydrophobicContact CD1-SD 3.91Å; L551-M558 HydrophobicContact CD2-CE 3.64Å; L551-M558 HydrophobicContact CD2-CG 4.45Å; L551-M558 HydrophobicContact CD2-SD 4.02Å; L551-M558 HydrophobicContact CG-CE 4.12Å; L551-M558 HydrophobicContact CG-CG 3.94Å; L551-M558 HydrophobicContact CG-SD 4.14Å
552	L	57.4	Low	70.4	Confident	117 Å²	117	29.1 Å²	29.1	61%	0.613	17%	0.17	S	C	*	.	S	Bend	trans	-56.2	-24	-171.6	-84.1	157.3	0	0	0	115.2	Y672	L552-Y672 PolarHBondContact O-OH 3.28Å
553	C	55	Low	70.2	Confident	93 Å²	93	29.5 Å²	29.5	63%	0.628	17%	0.173	S	C	*	.	S	Bend	trans	-165.1	141.5	167.1	-121.7	0	0	0	0	111	L551	L551-C553 PolarHBondContact O-N 2.77Å
554	P	51.2	Low	70.2	Confident	93 Å²	93	29.4 Å²	29.4	60%	0.604	17%	0.168	S	C	*	.	S	Bend	cis	-102.3	122.1	-14.5	34.5	-24	0	0	0	111.8	T556	P554-T556 PolarHBondContact O-N 2.97Å; P554-T556 PolarHBondContact O-OG1 3.48Å
555	T	56.9	Low	69.8	Low	51 Å²	51	36.6 Å²	36.6	31%	0.313	20%	0.202	S	C	.	.	S	Bend	trans	34.2	36.8	166.8	76.8	0	0	0	0	117.2	H577 K578	T555-H577 WeakPolarHBondContact CB-O 3.23Å; T555-H577 PolarHBondContact O-N 2.89Å; T555-H577 PolarHBondContact OG1-O 3.43Å; T555-K578 WeakPolarHBondContact CG2-O 3.16Å
556	T	56.1	Low	69	Low	29 Å²	29	37.7 Å²	37.7	18%	0.178	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	107.9	-177.9	-61.7	0	0	0	0	107.8	L551 P554 M558 C574 A575	L551-T556 WeakPolarHBondContact CB-O 3.44Å; L551-T556 HydrophobicContact CD1-CG2 4.11Å; L551-T556 PolarHBondContact N-O 3.3Å; P554-T556 PolarHBondContact O-N 2.97Å; P554-T556 PolarHBondContact O-OG1 3.48Å; T556-M558 PolarHBondContact O-N 2.76Å; T556-C574 HydrophobicContact CG2-CB 3.83Å; T556-A575 WeakPolarHBondContact CA-O 3.46Å
557	S	65.5	Low	68.2	Low	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	116.8	170.9	-55.1	0	0	0	0	107.8	M549 Y559 C574 A575 H577 V581	M549-S557 CarbonylContact O-C 3.5Å; M549-S557 WeakPolarHBondContact O-CA 3.47Å; S557-Y559 WeakPolarHBondContact O-CE2 3.46Å; S557-C574 CarbonylContact O-C 3.56Å; S557-C574 WeakPolarHBondContact O-CA 3.43Å; S557-A575 PolarHBondContact N-O 3.26Å; S557-A575 PolarHBondContact O-N 3.44Å; S557-H577 PolarHBondContact OG-CD2 3.05Å; S557-V581 WeakPolarHBondContact OG-CG2 3.17Å
558	M	64.7	Low	67.4	Low	44 Å²	44	48.2 Å²	48.2	22%	0.217	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	143.5	165.6	-66.1	-168.7	-56.1	0	0	109.4	S548 M549 L551 T556 P560 I572 R573	S548-M558 CarbonylContact C-O 3.52Å; S548-M558 WeakPolarHBondContact CA-O 3.45Å; M549-M558 PolarHBondContact N-O 3.01Å; M549-M558 PolarHBondContact O-N 3.16Å; L551-M558 HydrophobicContact CD1-CG 3.7Å; L551-M558 HydrophobicContact CD1-SD 3.91Å; L551-M558 HydrophobicContact CD2-CE 3.64Å; L551-M558 HydrophobicContact CD2-CG 4.45Å; L551-M558 HydrophobicContact CD2-SD 4.02Å; L551-M558 HydrophobicContact CG-CE 4.12Å; L551-M558 HydrophobicContact CG-CG 3.94Å; L551-M558 HydrophobicContact CG-SD 4.14Å; T556-M558 PolarHBondContact O-N 2.76Å; M558-P560 VanDerWaalsContact O-CD 3.29Å; M558-P560 WeakPolarHBondContact O-CD 3.38Å; M558-I572 HydrophobicContact CB-CG2 4.46Å; M558-I572 HydrophobicContact SD-CG2 4.45Å; M558-R573 CarbonylContact C-O 3.54Å; M558-R573 WeakPolarHBondContact CA-O 3.36Å
559	Y	69.1	Low	66.6	Low	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	77.9	170.1	-58.6	-90.1	0	0	0	110.6	I547 S557 R573 A575 H577 V581 M584 C595 F605	I547-Y559 VanDerWaalsContact O-CA 3.25Å; I547-Y559 WeakPolarHBondContact O-CA 3.42Å; I547-Y559 WeakPolarHBondContact O-CD1 3.34Å; S557-Y559 WeakPolarHBondContact O-CE2 3.46Å; Y559-R573 PolarHBondContact N-O 3.07Å; Y559-R573 PolarHBondContact O-N 3.31Å; Y559-R573 VanDerWaalsContact O-N 3.16Å; Y559-A575 HydrophobicContact CD2-CB 4.47Å; Y559-A575 HydrophobicContact CE2-CB 3.61Å; Y559-H577 PolarHBondContact OH-CD2 3.37Å; Y559-H577 PolarHBondContact OH-NE2 3.19Å; Y559-V581 WeakPolarHBondContact OH-CG2 3.29Å; Y559-M584 HydrophobicContact CD1-SD 4.19Å; Y559-M584 HydrophobicContact CE1-SD 3.81Å; Y559-C595 HydrophobicContact CE1-CB 4.39Å; Y559-C595 WeakPolarHBondContact CE1-SG 3.5Å; Y559-C595 WeakPolarHBondContact OH-CB 3.39Å; Y559-F605 AromaticContact CD1-CE1 3.68Å; Y559-F605 HydrophobicContact CD1-CE1 3.68Å; Y559-F605 AromaticContact CD1-CZ 3.5Å; Y559-F605 HydrophobicContact CD1-CZ 3.5Å; Y559-F605 VanDerWaalsContact CD1-CZ 3.5Å; Y559-F605 HydrophobicContact CD2-CD1 4.42Å; Y559-F605 AromaticContact CD2-CE1 3.75Å; Y559-F605 HydrophobicContact CD2-CE1 3.75Å; Y559-F605 AromaticContact CD2-CZ 3.99Å; Y559-F605 HydrophobicContact CD2-CZ 3.99Å; Y559-F605 AromaticContact CE1-CE1 3.78Å; Y559-F605 HydrophobicContact CE1-CE1 3.78Å; Y559-F605 HydrophobicContact CE1-CZ 4.05Å; Y559-F605 HydrophobicContact CE2-CD1 4.48Å; Y559-F605 AromaticContact CE2-CE1 3.86Å; Y559-F605 HydrophobicContact CE2-CE1 3.86Å; Y559-F605 HydrophobicContact CE2-CZ 4.5Å; Y559-F605 AromaticContact CG-CE1 3.64Å; Y559-F605 HydrophobicContact CG-CE1 3.64Å; Y559-F605 HydrophobicContact CG-CE2 4.32Å; Y559-F605 AromaticContact CG-CZ 3.44Å; Y559-F605 HydrophobicContact CG-CZ 3.44Å; Y559-F605 VanDerWaalsContact CG-CZ 3.44Å; Y559-F605 AromaticContact CZ-CE1 3.85Å
560	P	68	Low	65.9	Low	7 Å²	7	50 Å²	50	5%	0.045	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	133.9	167.1	11.5	-5.5	0	0	0	110.4	I547 M549 M558 F562 P569 G571 I572	I547-P560 HydrophobicContact CD1-CG 3.95Å; I547-P560 HydrophobicContact CG1-CB 4.34Å; I547-P560 HydrophobicContact CG1-CG 3.72Å; I547-P560 PolarHBondContact N-O 2.93Å; I547-P560 VanDerWaalsContact N-O 3.14Å; M549-P560 HydrophobicContact CG-CG 4.43Å; M549-P560 HydrophobicContact SD-CG 3.61Å; M558-P560 VanDerWaalsContact O-CD 3.29Å; M558-P560 WeakPolarHBondContact O-CD 3.38Å; P560-F562 HydrophobicContact CB-CE2 3.76Å; P560-F562 HydrophobicContact CB-CZ 4.19Å; P560-F562 HydrophobicContact CG-CE2 4.4Å; P560-P569 HydrophobicContact CB-CB 3.58Å; P560-P569 HydrophobicContact CB-CG 4.39Å; P560-G571 CarbonylContact C-O 3.45Å; P560-G571 VanDerWaalsContact CA-O 3.31Å; P560-G571 WeakPolarHBondContact CA-O 3.2Å; P560-I572 HydrophobicContact CB-CG1 4.43Å
561	S	72.7	Confident	65.6	Low	4 Å²	4	49 Å²	49	3%	0.028	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	132.8	178.2	-47	0	0	0	0	107.5	H546 P569 T570 G571	H546-S561 PolarHBondContact CE1-OG 2.87Å; H546-S561 VanDerWaalsContact ND1-CB 3.34Å; H546-S561 WeakPolarHBondContact ND1-CB 3.37Å; H546-S561 PolarHBondContact ND1-OG 3.14Å; S561-P569 CarbonylContact O-C 3.5Å; S561-P569 VanDerWaalsContact O-CA 3.3Å; S561-P569 WeakPolarHBondContact O-CA 3.43Å; S561-T570 PolarHBondContact O-N 3.46Å; S561-T570 PolarHBondContact O-OG1 3.02Å; S561-G571 PolarHBondContact N-O 2.69Å; S561-G571 PolarHBondContact OG-O 2.87Å
562	F	74.3	Confident	65.6	Low	4 Å²	4	48.1 Å²	48.1	2%	0.018	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.7	178.4	-67.8	-94.4	0	0	0	109.3	F530 G544 F545 I547 P560 P569	F530-F562 HydrophobicContact CE1-CE1 4.32Å; F530-F562 AromaticContact CE1-CE2 3.9Å; F530-F562 HydrophobicContact CE1-CE2 3.9Å; F530-F562 AromaticContact CE1-CZ 3.5Å; F530-F562 HydrophobicContact CE1-CZ 3.5Å; F530-F562 HydrophobicContact CZ-CE1 4.19Å; F530-F562 AromaticContact CZ-CE2 3.78Å; F530-F562 HydrophobicContact CZ-CE2 3.78Å; F530-F562 AromaticContact CZ-CZ 3.6Å; F530-F562 HydrophobicContact CZ-CZ 3.6Å; G544-F562 CarbonylContact C-O 3.42Å; G544-F562 WeakPolarHBondContact CA-O 3.35Å; F545-F562 HydrophobicContact CD1-CB 4.2Å; F545-F562 HydrophobicContact CD2-CB 4.25Å; F545-F562 AromaticContact CD2-CD2 3.95Å; F545-F562 HydrophobicContact CD2-CD2 3.95Å; F545-F562 HydrophobicContact CD2-CG 4.43Å; F545-F562 HydrophobicContact CE1-CB 3.83Å; F545-F562 HydrophobicContact CE1-CG 4.31Å; F545-F562 HydrophobicContact CE2-CB 3.9Å; F545-F562 AromaticContact CE2-CD2 3.3Å; F545-F562 HydrophobicContact CE2-CD2 3.3Å; F545-F562 HydrophobicContact CE2-CE2 4.03Å; F545-F562 AromaticContact CE2-CG 3.73Å; F545-F562 HydrophobicContact CE2-CG 3.73Å; F545-F562 HydrophobicContact CG-CB 4.4Å; F545-F562 HydrophobicContact CZ-CB 3.67Å; F545-F562 HydrophobicContact CZ-CD1 4.36Å; F545-F562 AromaticContact CZ-CD2 3.74Å; F545-F562 HydrophobicContact CZ-CD2 3.74Å; F545-F562 AromaticContact CZ-CG 3.65Å; F545-F562 HydrophobicContact CZ-CG 3.65Å; F545-F562 PolarHBondContact N-O 2.76Å; F545-F562 PolarHBondContact O-N 2.87Å; I547-F562 HydrophobicContact CD1-CE2 3.76Å; I547-F562 HydrophobicContact CG1-CE2 4Å; P560-F562 HydrophobicContact CB-CE2 3.76Å; P560-F562 HydrophobicContact CB-CZ 4.19Å; P560-F562 HydrophobicContact CG-CE2 4.4Å; F562-P569 HydrophobicContact CE1-CB 4.18Å; F562-P569 HydrophobicContact CE2-CB 4.37Å; F562-P569 HydrophobicContact CZ-CB 3.92Å; F562-P569 HydrophobicContact CZ-CG 4.46Å
563	V	70.7	Confident	66.1	Low	14 Å²	14	42.9 Å²	42.9	9%	0.085	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	139.6	157.8	170.6	0	0	0	0	106.8	P543 E565 C566 T570	P543-V563 HydrophobicContact CB-CG1 4.45Å; P543-V563 HydrophobicContact CB-CG2 4.14Å; P543-V563 HydrophobicContact CG-CG2 3.95Å; P543-V563 CarbonylContact O-C 3.58Å; P543-V563 VanDerWaalsContact O-CA 3.23Å; P543-V563 WeakPolarHBondContact O-CA 3.37Å; V563-E565 VanDerWaalsContact C-N 3.25Å; V563-E565 PolarHBondContact O-N 3.17Å; V563-E565 VanDerWaalsContact O-N 3.14Å; V563-C566 HydrophobicContact CB-CB 4.34Å; V563-C566 WeakPolarHBondContact O-CB 3.19Å; V563-C566 PolarHBondContact O-N 2.94Å; V563-T570 HydrophobicContact CB-CG2 4.07Å; V563-T570 HydrophobicContact CG2-CG2 3.86Å
564	Q	71.6	Confident	66.5	Low	42 Å²	42	40.2 Å²	40.2	20%	0.196	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-46.1	-173.7	-170.4	-153.9	-11.3	0	0	112.6	Y500 I504 F506 E516 R526 P543 C566	Y500-Q564 HydrophobicContact CD1-CG 4.17Å; Y500-Q564 HydrophobicContact CE1-CB 3.92Å; Y500-Q564 HydrophobicContact CE1-CG 3.95Å; I504-Q564 VanDerWaalsContact CD1-NE2 3.26Å; F506-Q564 HydrophobicContact CZ-CG 4.17Å; E516-Q564 PolarHBondContact OE1-NE2 3.44Å; R526-Q564 VanDerWaalsContact CZ-O 3.31Å; R526-Q564 PolarHBondContact NH1-O 2.84Å; P543-Q564 PolarHBondContact O-N 3.11Å; Q564-C566 VanDerWaalsContact C-N 3.27Å; Q564-C566 PolarHBondContact O-N 2.98Å
565	E	71.9	Confident	67.4	Low	151 Å²	151	35.9 Å²	35.9	71%	0.706	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.5	-179	-63.2	-179.3	171.3	0	0	113	R526 V563	R526-E565 VanDerWaalsContact NH1-C 3.35Å; R526-E565 PolarHBondContact NH1-O 2.92Å; R526-E565 PolarHBondContact NH2-O 2.77Å; V563-E565 VanDerWaalsContact C-N 3.25Å; V563-E565 PolarHBondContact O-N 3.17Å; V563-E565 VanDerWaalsContact O-N 3.14Å
566	C	66.8	Low	68.2	Low	27 Å²	27	40 Å²	40	18%	0.182	21%	0.207	C	C	.	.			trans	-87.3	138.7	-174.1	-62.2	0	0	0	0	113.7	R526 V563 Q564 T570	R526-C566 VanDerWaalsContact NH1-C 3.33Å; R526-C566 PolarHBondContact NH1-O 3.27Å; R526-C566 VanDerWaalsContact NH1-O 3.16Å; V563-C566 HydrophobicContact CB-CB 4.34Å; V563-C566 WeakPolarHBondContact O-CB 3.19Å; V563-C566 PolarHBondContact O-N 2.94Å; Q564-C566 VanDerWaalsContact C-N 3.27Å; Q564-C566 PolarHBondContact O-N 2.98Å; C566-T570 HydrophobicContact CB-CG2 3.99Å
567	T	69.1	Low	69.3	Low	79 Å²	79	38.7 Å²	38.7	49%	0.485	20%	0.199	S	C	.	.	S	Bend	trans	-93.2	-5	170.6	51.5	0	0	0	0	113.2
568	H	68.6	Low	69.9	Low	142 Å²	142	39.7 Å²	39.7	66%	0.657	20%	0.204	S	C	*	.	S	Bend	trans	-116.1	147.4	179	-59.6	-37.4	0	0	0	110.1	T570	H568-T570 PolarHBondContact O-N 2.98Å
569	P	69	Low	70.8	Confident	49 Å²	49	40.4 Å²	40.4	32%	0.318	21%	0.206	S	C	.	.			trans	-66.2	125.9	-179.9	27.3	-34.5	0	0	0	110.8	P560 S561 F562 G571 I572	P560-P569 HydrophobicContact CB-CB 3.58Å; P560-P569 HydrophobicContact CB-CG 4.39Å; S561-P569 CarbonylContact O-C 3.5Å; S561-P569 VanDerWaalsContact O-CA 3.3Å; S561-P569 WeakPolarHBondContact O-CA 3.43Å; F562-P569 HydrophobicContact CE1-CB 4.18Å; F562-P569 HydrophobicContact CE2-CB 4.37Å; F562-P569 HydrophobicContact CZ-CB 3.92Å; F562-P569 HydrophobicContact CZ-CG 4.46Å; P569-G571 VanDerWaalsContact C-N 3.33Å; P569-I572 HydrophobicContact CB-CD1 4.4Å; P569-I572 HydrophobicContact CB-CG1 4.05Å; P569-I572 HydrophobicContact CG-CD1 3.99Å; P569-I572 HydrophobicContact CG-CG1 4.21Å
570	T	67.2	Low	71.5	Confident	14 Å²	14	41.3 Å²	41.3	9%	0.086	21%	0.213	C	C	.	.	S	Bend	trans	-90.7	2.4	178.3	64.3	0	0	0	0	113	S561 V563 C566 H568 I610	S561-T570 PolarHBondContact O-N 3.46Å; S561-T570 PolarHBondContact O-OG1 3.02Å; V563-T570 HydrophobicContact CB-CG2 4.07Å; V563-T570 HydrophobicContact CG2-CG2 3.86Å; C566-T570 HydrophobicContact CB-CG2 3.99Å; H568-T570 PolarHBondContact O-N 2.98Å; T570-I610 WeakPolarHBondContact CB-O 3.34Å; T570-I610 WeakPolarHBondContact O-CB 3.44Å; T570-I610 VanDerWaalsContact O-CG1 3.24Å; T570-I610 WeakPolarHBondContact O-CG1 3.48Å; T570-I610 PolarHBondContact O-N 3.42Å; T570-I610 VanDerWaalsContact O-N 3.07Å
571	G	65.4	Low	72.5	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	142.3	169.8	0	0	0	0	0	108.6	P560 S561 P569	P560-G571 CarbonylContact C-O 3.45Å; P560-G571 VanDerWaalsContact CA-O 3.31Å; P560-G571 WeakPolarHBondContact CA-O 3.2Å; S561-G571 PolarHBondContact N-O 2.69Å; S561-G571 PolarHBondContact OG-O 2.87Å; P569-G571 VanDerWaalsContact C-N 3.33Å
572	I	65.5	Low	73.2	Confident	50 Å²	50	41.2 Å²	41.2	26%	0.256	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.9	174.9	-55	178.1	0	0	0	107.2	M558 P560 P569	M558-I572 HydrophobicContact CB-CG2 4.46Å; M558-I572 HydrophobicContact SD-CG2 4.45Å; P560-I572 HydrophobicContact CB-CG1 4.43Å; P569-I572 HydrophobicContact CB-CD1 4.4Å; P569-I572 HydrophobicContact CB-CG1 4.05Å; P569-I572 HydrophobicContact CG-CD1 3.99Å; P569-I572 HydrophobicContact CG-CG1 4.21Å
573	R	69.1	Low	74	Confident	7 Å²	7	41.9 Å²	41.9	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	160.8	165.5	-72.5	-70.8	179.3	-83.9	25.1	109.2	M558 Y559 F605 L620 G622 D624	M558-R573 CarbonylContact C-O 3.54Å; M558-R573 WeakPolarHBondContact CA-O 3.36Å; Y559-R573 PolarHBondContact N-O 3.07Å; Y559-R573 PolarHBondContact O-N 3.31Å; Y559-R573 VanDerWaalsContact O-N 3.16Å; R573-F605 HydrophobicContact CB-CD2 4.48Å; R573-F605 HydrophobicContact CG-CD2 4.26Å; R573-L620 PolarHBondContact NH1-O 2.64Å; R573-G622 WeakPolarHBondContact CD-O 3.25Å; R573-D624 IonicContact CZ-OD2 2.68Å; R573-D624 IonicContact NE-OD2 3.16Å; R573-D624 PolarHBondContact NE-OD2 3.15Å; R573-D624 IonicContact NH2-OD2 3.18Å; R573-D624 PolarHBondContact NH2-OD2 2.88Å
574	C	63.3	Low	75	Confident	38 Å²	38	42.2 Å²	42.2	26%	0.257	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	142.3	171.1	-65.6	0	0	0	0	109.3	T556 S557 C625	T556-C574 HydrophobicContact CG2-CB 3.83Å; S557-C574 CarbonylContact O-C 3.56Å; S557-C574 WeakPolarHBondContact O-CA 3.43Å; C574-C625 WeakPolarHBondContact O-CB 3.34Å
575	A	70.9	Confident	76.1	Confident	2 Å²	2	40.8 Å²	40.8	2%	0.017	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.2	168.1	0	0	0	0	0	111	T556 S557 Y559 H577 C603 C625	T556-A575 WeakPolarHBondContact CA-O 3.46Å; S557-A575 PolarHBondContact N-O 3.26Å; S557-A575 PolarHBondContact O-N 3.44Å; Y559-A575 HydrophobicContact CD2-CB 4.47Å; Y559-A575 HydrophobicContact CE2-CB 3.61Å; A575-H577 PolarHBondContact O-N 2.96Å; A575-C603 HydrophobicContact CB-CB 4.48Å; A575-C625 HydrophobicContact CB-CB 3.77Å; A575-C625 WeakPolarHBondContact CB-SG 3.31Å
576	K	72.4	Confident	76.9	Confident	138 Å²	138	34.7 Å²	34.7	60%	0.6	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	76.9	173.8	-67.1	-172.9	177.6	-175.3	0	110.5	R601	K576-R601 WeakPolarHBondContact O-CD 3.37Å; K576-R601 PolarHBondContact O-NH1 2.88Å
577	H	79.5	Confident	78	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.177	C	C	.	.			trans	-67.5	166.6	165.1	-83.5	-77.9	0	0	0	111.1	T555 S557 Y559 A575 E579 D597 C603	T555-H577 WeakPolarHBondContact CB-O 3.23Å; T555-H577 PolarHBondContact O-N 2.89Å; T555-H577 PolarHBondContact OG1-O 3.43Å; S557-H577 PolarHBondContact OG-CD2 3.05Å; Y559-H577 PolarHBondContact OH-CD2 3.37Å; Y559-H577 PolarHBondContact OH-NE2 3.19Å; A575-H577 PolarHBondContact O-N 2.96Å; H577-E579 WeakPolarHBondContact CB-O 3.43Å; H577-D597 WeakPolarHBondContact CB-OD2 3.48Å; H577-D597 IonicContact CG-OD2 2.64Å; H577-D597 IonicContact ND1-OD2 2.64Å; H577-D597 PolarHBondContact ND1-OD2 3.13Å; H577-C603 PolarHBondContact CE1-SG 3.47Å; H577-C603 VanDerWaalsContact NE2-CB 3.31Å; H577-C603 WeakPolarHBondContact NE2-CB 3.47Å; H577-C603 PolarHBondContact NE2-SG 3.28Å; H577-C603 VanDerWaalsContact NE2-SG 3.37Å
578	K	79	Confident	78.7	Confident	21 Å²	21	29.9 Å²	29.9	9%	0.091	16%	0.155	C	C	.	.	S	Bend	trans	-90	-35.8	167.5	-77.7	171.4	174.5	157.5	0	110.6	T555 D597 A599 R601 D630 T631 Y667	T555-K578 WeakPolarHBondContact CG2-O 3.16Å; K578-D597 PolarHBondContact N-OD2 3.08Å; K578-A599 HydrophobicContact CB-CB 3.54Å; K578-A599 HydrophobicContact CD-CB 3.97Å; K578-A599 HydrophobicContact CG-CB 4.44Å; K578-R601 HydrophobicContact CD-CB 4.37Å; K578-D630 WeakPolarHBondContact CE-OD1 3.46Å; K578-D630 WeakPolarHBondContact CE-OD2 3.29Å; K578-D630 IonicContact NZ-OD1 2.95Å; K578-D630 PolarHBondContact NZ-OD1 3.42Å; K578-D630 IonicContact NZ-OD2 3.72Å; K578-D630 PolarHBondContact NZ-OD2 3.34Å; K578-T631 PolarHBondContact NZ-O 3.11Å; K578-Y667 HydrophobicContact CG-CE2 4.15Å
579	E	83	Confident	79.2	Confident	58 Å²	58	24.2 Å²	24.2	27%	0.271	13%	0.132	S	C	.	.	S	Bend	trans	-146.4	-179.4	-171.7	-167	46.3	-132.9	0	0	111.2	H577 D597 Y598 A599 Y681	H577-E579 WeakPolarHBondContact CB-O 3.43Å; E579-D597 HydrophobicContact CB-CB 4.36Å; E579-D597 PolarHBondContact N-OD2 2.93Å; E579-D597 WeakPolarHBondContact O-CB 3.48Å; E579-Y598 HydrophobicContact CG-CD2 4.44Å; E579-A599 HydrophobicContact CB-CB 3.74Å; E579-Y681 HydrophobicContact CG-CE1 4.12Å
580	S	84.3	Confident	79.8	Confident	20 Å²	20	23.9 Å²	23.9	14%	0.14	13%	0.125	C	C	.	.			trans	-55.9	138.5	178.2	170.4	0	0	0	0	112.2	D534 C582 D597 Y598	D534-S580 WeakPolarHBondContact OD1-CB 3.45Å; D534-S580 PolarHBondContact OD1-OG 3.32Å; S580-C582 PolarHBondContact O-N 3.12Å; S580-D597 WeakPolarHBondContact O-CA 3.43Å; S580-D597 VanDerWaalsContact O-CB 3.28Å; S580-D597 WeakPolarHBondContact O-CB 3.46Å; S580-Y598 WeakPolarHBondContact O-CD2 3.27Å; S580-Y598 PolarHBondContact O-N 2.79Å
581	V	88.1	Confident	80.4	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	108	-176.5	174.3	0	0	0	0	109.5	D534 S535 S548 S557 Y559 M584 C595 G596	D534-V581 HydrophobicContact CB-CB 4.41Å; D534-V581 WeakPolarHBondContact CB-O 2.93Å; S535-V581 WeakPolarHBondContact CB-O 3.15Å; S548-V581 VanDerWaalsContact OG-CB 3.31Å; S548-V581 WeakPolarHBondContact OG-CB 3.42Å; S548-V581 WeakPolarHBondContact OG-CG2 3.33Å; S557-V581 WeakPolarHBondContact OG-CG2 3.17Å; Y559-V581 WeakPolarHBondContact OH-CG2 3.29Å; V581-M584 HydrophobicContact CG1-CG 3.8Å; V581-M584 HydrophobicContact CG1-SD 4.37Å; V581-C595 HydrophobicContact CG1-CB 3.91Å; V581-G596 CarbonylContact C-O 3.47Å
582	C	87.3	Confident	81.4	Confident	8 Å²	8	23.8 Å²	23.8	5%	0.054	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-18.6	-171.6	68.9	0	0	0	0	114.1	S580 G596 Y598 L685	S580-C582 PolarHBondContact O-N 3.12Å; C582-G596 PolarHBondContact N-O 2.76Å; C582-G596 PolarHBondContact SG-O 3.46Å; C582-G596 VanDerWaalsContact SG-O 3.4Å; C582-Y598 HydrophobicContact CB-CD1 4.1Å; C582-Y598 HydrophobicContact CB-CD2 3.91Å; C582-Y598 HydrophobicContact CB-CE1 3.68Å; C582-Y598 HydrophobicContact CB-CE2 3.5Å; C582-Y598 VanDerWaalsContact CB-CE2 3.5Å; C582-Y598 HydrophobicContact CB-CG 4.18Å; C582-L685 PolarHBondContact SG-O 3.18Å
583	S	90.7	Very high	82.6	Confident	18 Å²	18	21.4 Å²	21.4	13%	0.126	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	143.8	-175.5	-157.6	0	0	0	0	111.3	C595 G596 F686 I688	S583-C595 WeakPolarHBondContact O-CA 3.49Å; S583-G596 PolarHBondContact N-O 3.14Å; S583-G596 PolarHBondContact O-N 2.68Å; S583-F686 WeakPolarHBondContact CB-O 3.38Å; S583-F686 PolarHBondContact OG-O 3.29Å; S583-I688 WeakPolarHBondContact O-CD1 3.41Å
584	M	93	Very high	83.7	Confident	22 Å²	22	21 Å²	21	11%	0.108	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	141	177.6	-65.9	-162.6	-71.5	0	0	111	S535 L537 Y559 V581 V593 V594 C595	S535-M584 VanDerWaalsContact C-CE 3.47Å; S535-M584 WeakPolarHBondContact O-CE 3.42Å; L537-M584 HydrophobicContact CB-CB 4.26Å; L537-M584 HydrophobicContact CB-CE 3.88Å; Y559-M584 HydrophobicContact CD1-SD 4.19Å; Y559-M584 HydrophobicContact CE1-SD 3.81Å; V581-M584 HydrophobicContact CG1-CG 3.8Å; V581-M584 HydrophobicContact CG1-SD 4.37Å; M584-V593 HydrophobicContact SD-CG1 4.45Å; M584-V594 CarbonylContact C-O 3.58Å; M584-V594 VanDerWaalsContact CA-O 3.31Å; M584-V594 WeakPolarHBondContact CA-O 3.17Å; M584-C595 HydrophobicContact CG-CB 4.29Å; M584-C595 VanDerWaalsContact SD-SG 3.64Å
585	A	93.2	Very high	85.1	Confident	11 Å²	11	19.2 Å²	19.2	9%	0.091	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	150.9	175.6	0	0	0	0	0	111.6	V593 V594 I688	A585-V593 WeakPolarHBondContact O-CA 3.19Å; A585-V594 PolarHBondContact N-O 3.45Å; A585-V594 PolarHBondContact O-N 3.41Å; A585-I688 HydrophobicContact CB-CB 4.19Å; A585-I688 HydrophobicContact CB-CG2 3.74Å
586	L	90.2	Very high	86.1	Confident	23 Å²	23	19.1 Å²	19.1	12%	0.12	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	123	172.4	176.5	53.3	0	0	0	110	L537 L541 F542 P588 C592 V593 C690	L537-L586 HydrophobicContact CD2-CB 4.27Å; L541-L586 HydrophobicContact CB-CD2 4.26Å; L541-L586 HydrophobicContact CD1-CD2 3.82Å; F542-L586 HydrophobicContact CE1-CD1 4.08Å; F542-L586 HydrophobicContact CE1-CD2 3.84Å; F542-L586 HydrophobicContact CE2-CD2 4.1Å; F542-L586 HydrophobicContact CZ-CB 4.47Å; F542-L586 HydrophobicContact CZ-CD1 3.74Å; F542-L586 HydrophobicContact CZ-CD2 3.51Å; F542-L586 HydrophobicContact CZ-CG 4.1Å; L586-P588 VanDerWaalsContact O-CD 3.29Å; L586-P588 WeakPolarHBondContact O-CD 3.2Å; L586-C592 WeakPolarHBondContact CD1-O 3.01Å; L586-V593 HydrophobicContact CD1-CG2 4.36Å; L586-C690 VanDerWaalsContact C-SG 3.56Å; L586-C690 WeakPolarHBondContact O-CB 3.32Å; L586-C690 PolarHBondContact O-SG 2.77Å
587	L	90	Very high	86.9	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	104.5	163.3	-177	69.5	0	0	0	108.9	S589 K590 M591 C592 C690 A697 I700 L714	L587-S589 PolarHBondContact O-N 3.17Å; L587-K590 HydrophobicContact CD2-CB 4.19Å; L587-K590 HydrophobicContact CD2-CD 4.2Å; L587-K590 HydrophobicContact CD2-CG 3.99Å; L587-M591 PolarHBondContact O-N 2.71Å; L587-C592 HydrophobicContact CB-CB 4.36Å; L587-C592 WeakPolarHBondContact CB-O 3.37Å; L587-C592 PolarHBondContact N-O 2.69Å; L587-C592 PolarHBondContact O-N 2.57Å; L587-C592 VanDerWaalsContact O-N 3.1Å; L587-C690 HydrophobicContact CB-CB 4.24Å; L587-C690 HydrophobicContact CD1-CB 3.82Å; L587-A697 VanDerWaalsContact CD1-O 3.24Å; L587-A697 WeakPolarHBondContact CD1-O 3.32Å; L587-I700 HydrophobicContact CD1-CG2 4.07Å; L587-L714 HydrophobicContact CD2-CD1 4.03Å
588	P	82.2	Confident	87.3	Confident	5 Å²	5	15.5 Å²	15.5	3%	0.032	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-70.2	-35.4	-169.9	-19.9	34.8	0	0	0	112.9	F218 L541 L586 K590 M591	F218-P588 HydrophobicContact CB-CB 4.49Å; F218-P588 HydrophobicContact CD1-CB 3.45Å; F218-P588 VanDerWaalsContact CD1-CB 3.45Å; F218-P588 HydrophobicContact CD1-CG 3.98Å; F218-P588 HydrophobicContact CD2-CB 4.45Å; F218-P588 HydrophobicContact CE1-CB 3.64Å; F218-P588 HydrophobicContact CE1-CG 3.61Å; F218-P588 HydrophobicContact CE2-CG 4.36Å; F218-P588 HydrophobicContact CG-CB 3.88Å; F218-P588 HydrophobicContact CG-CG 4.49Å; F218-P588 HydrophobicContact CZ-CB 4.2Å; F218-P588 HydrophobicContact CZ-CG 3.81Å; L541-P588 HydrophobicContact CD1-CB 4.31Å; L586-P588 VanDerWaalsContact O-CD 3.29Å; L586-P588 WeakPolarHBondContact O-CD 3.2Å; P588-K590 PolarHBondContact O-N 3.12Å; P588-M591 PolarHBondContact O-N 2.81Å; P588-M591 VanDerWaalsContact O-N 3.15Å
589	S	80.7	Confident	87.8	Confident	24 Å²	24	15.4 Å²	15.4	17%	0.168	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-56.3	-34.7	-177.4	64.8	0	0	0	0	113.6	V215 L587 A697 D698	V215-S589 VanDerWaalsContact CG2-O 3.27Å; V215-S589 WeakPolarHBondContact CG2-O 3.3Å; L587-S589 PolarHBondContact O-N 3.17Å; S589-A697 WeakPolarHBondContact CB-O 3.42Å; S589-A697 PolarHBondContact OG-O 3Å; S589-D698 WeakPolarHBondContact CB-OD1 3.37Å; S589-D698 PolarHBondContact OG-OD1 3.41Å
590	K	80.4	Confident	88.1	Confident	41 Å²	41	12.6 Å²	12.6	18%	0.178	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-109.4	0.2	-179.6	-52.2	-162.4	-176.3	-159.4	0	113.5	L587 P588 C592 D698 L714 S715 I719	L587-K590 HydrophobicContact CD2-CB 4.19Å; L587-K590 HydrophobicContact CD2-CD 4.2Å; L587-K590 HydrophobicContact CD2-CG 3.99Å; P588-K590 PolarHBondContact O-N 3.12Å; K590-C592 HydrophobicContact CB-CB 3.97Å; K590-C592 PolarHBondContact O-N 3Å; K590-D698 WeakPolarHBondContact CE-OD1 3.48Å; K590-D698 WeakPolarHBondContact CE-OD2 3.36Å; K590-D698 IonicContact NZ-OD2 3.69Å; K590-D698 PolarHBondContact NZ-OD2 2.63Å; K590-L714 PolarHBondContact NZ-O 3.46Å; K590-S715 PolarHBondContact NZ-O 2.93Å; K590-I719 HydrophobicContact CD-CD1 4.33Å
591	M	80.8	Confident	88.4	Confident	12 Å²	12	13.1 Å²	13.1	6%	0.059	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	46	49	-167.2	-70.5	-65.8	-69.7	0	0	111.5	L211 L541 F542 L587 P588 V607	L211-M591 HydrophobicContact CD1-CB 4.02Å; L211-M591 HydrophobicContact CD1-CG 4.02Å; L211-M591 HydrophobicContact CD2-CB 4.49Å; L211-M591 HydrophobicContact CG-CB 4.45Å; L211-M591 HydrophobicContact CG-CG 4.23Å; L541-M591 HydrophobicContact CB-CE 4.12Å; L541-M591 HydrophobicContact CB-SD 4.47Å; L541-M591 HydrophobicContact CD1-SD 4.12Å; F542-M591 HydrophobicContact CD1-CE 4.16Å; F542-M591 HydrophobicContact CE1-CE 3.96Å; L587-M591 PolarHBondContact O-N 2.71Å; P588-M591 PolarHBondContact O-N 2.81Å; P588-M591 VanDerWaalsContact O-N 3.15Å; M591-V607 PolarHBondContact O-N 3Å
592	C	86.6	Confident	88.6	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.6	-173	177.2	0	0	0	0	110.2	L586 L587 K590 F605	L586-C592 WeakPolarHBondContact CD1-O 3.01Å; L587-C592 HydrophobicContact CB-CB 4.36Å; L587-C592 WeakPolarHBondContact CB-O 3.37Å; L587-C592 PolarHBondContact N-O 2.69Å; L587-C592 PolarHBondContact O-N 2.57Å; L587-C592 VanDerWaalsContact O-N 3.1Å; K590-C592 HydrophobicContact CB-CB 3.97Å; K590-C592 PolarHBondContact O-N 3Å; C592-F605 CarbonylContact C-O 3.52Å; C592-F605 WeakPolarHBondContact CA-O 3.38Å; C592-F605 VanDerWaalsContact SG-C 3.56Å; C592-F605 PolarHBondContact SG-O 3.32Å
593	V	88.9	Confident	88.7	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.9	172.7	172.5	0	0	0	0	108.9	L537 F542 M584 A585 L586 A604 F605 V607	L537-V593 HydrophobicContact CD2-CB 4.27Å; L537-V593 HydrophobicContact CD2-CG1 3.78Å; L537-V593 HydrophobicContact CD2-CG2 3.49Å; L537-V593 VanDerWaalsContact CD2-CG2 3.49Å; F542-V593 HydrophobicContact CZ-CG2 4.07Å; M584-V593 HydrophobicContact SD-CG1 4.45Å; A585-V593 WeakPolarHBondContact O-CA 3.19Å; L586-V593 HydrophobicContact CD1-CG2 4.36Å; V593-A604 WeakPolarHBondContact O-CA 3.45Å; V593-F605 HydrophobicContact CB-CD2 4.49Å; V593-F605 HydrophobicContact CB-CE1 4.13Å; V593-F605 HydrophobicContact CB-CE2 3.92Å; V593-F605 HydrophobicContact CB-CZ 3.72Å; V593-F605 HydrophobicContact CG1-CE1 4Å; V593-F605 HydrophobicContact CG1-CE2 4.43Å; V593-F605 HydrophobicContact CG1-CZ 3.74Å; V593-F605 HydrophobicContact CG2-CE2 4.48Å; V593-F605 PolarHBondContact N-O 3.14Å; V593-F605 PolarHBondContact O-N 2.79Å; V593-V607 HydrophobicContact CB-CG2 4.33Å; V593-V607 HydrophobicContact CG2-CG2 3.44Å; V593-V607 VanDerWaalsContact CG2-CG2 3.44Å
594	V	92.3	Very high	88.6	Confident	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.3	177.3	-179.2	0	0	0	0	108.4	M584 A585 L602 C603 A604 I628 I688 I700 L714	M584-V594 CarbonylContact C-O 3.58Å; M584-V594 VanDerWaalsContact CA-O 3.31Å; M584-V594 WeakPolarHBondContact CA-O 3.17Å; A585-V594 PolarHBondContact N-O 3.45Å; A585-V594 PolarHBondContact O-N 3.41Å; V594-L602 HydrophobicContact CG1-CD1 3.87Å; V594-L602 HydrophobicContact CG1-CD2 3.88Å; V594-L602 HydrophobicContact CG1-CG 3.71Å; V594-C603 CarbonylContact C-O 3.58Å; V594-C603 VanDerWaalsContact CA-O 3.32Å; V594-C603 WeakPolarHBondContact CA-O 3.42Å; V594-A604 HydrophobicContact CG2-CB 4.25Å; V594-I628 HydrophobicContact CG1-CD1 4.14Å; V594-I688 HydrophobicContact CG1-CG2 4.11Å; V594-I700 HydrophobicContact CG1-CD1 4.14Å; V594-I700 HydrophobicContact CG2-CG2 4.43Å; V594-L714 HydrophobicContact CG2-CD1 4.47Å
595	C	92.7	Very high	88.2	Confident	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.5	-172	-61.2	0	0	0	0	111.1	Y559 V581 S583 M584 L602 C603	Y559-C595 HydrophobicContact CE1-CB 4.39Å; Y559-C595 WeakPolarHBondContact CE1-SG 3.5Å; Y559-C595 WeakPolarHBondContact OH-CB 3.39Å; V581-C595 HydrophobicContact CG1-CB 3.91Å; S583-C595 WeakPolarHBondContact O-CA 3.49Å; M584-C595 HydrophobicContact CG-CB 4.29Å; M584-C595 VanDerWaalsContact SD-SG 3.64Å; C595-L602 CarbonylContact O-C 3.46Å; C595-L602 WeakPolarHBondContact O-CA 3.33Å; C595-C603 PolarHBondContact N-O 3.37Å; C595-C603 PolarHBondContact O-N 2.87Å
596	G	92.3	Very high	87.5	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139.4	177.4	0	0	0	0	0	112.5	V581 C582 S583 R601 I688	V581-G596 CarbonylContact C-O 3.47Å; C582-G596 PolarHBondContact N-O 2.76Å; C582-G596 PolarHBondContact SG-O 3.46Å; C582-G596 VanDerWaalsContact SG-O 3.4Å; S583-G596 PolarHBondContact N-O 3.14Å; S583-G596 PolarHBondContact O-N 2.68Å; G596-R601 WeakPolarHBondContact CA-O 3.44Å; G596-I688 VanDerWaalsContact N-CD1 3.26Å
597	D	90.1	Very high	86.6	Confident	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	167.8	177.9	66.9	29.9	0	0	0	114.4	H577 K578 E579 S580 A599 G600 R601 L685	H577-D597 WeakPolarHBondContact CB-OD2 3.48Å; H577-D597 IonicContact CG-OD2 2.64Å; H577-D597 IonicContact ND1-OD2 2.64Å; H577-D597 PolarHBondContact ND1-OD2 3.13Å; K578-D597 PolarHBondContact N-OD2 3.08Å; E579-D597 HydrophobicContact CB-CB 4.36Å; E579-D597 PolarHBondContact N-OD2 2.93Å; E579-D597 WeakPolarHBondContact O-CB 3.48Å; S580-D597 WeakPolarHBondContact O-CA 3.43Å; S580-D597 VanDerWaalsContact O-CB 3.28Å; S580-D597 WeakPolarHBondContact O-CB 3.46Å; D597-A599 PolarHBondContact O-N 3.31Å; D597-A599 VanDerWaalsContact O-N 3.13Å; D597-A599 WeakPolarHBondContact OD1-CA 3.44Å; D597-A599 PolarHBondContact OD1-N 3.22Å; D597-G600 PolarHBondContact O-N 3.41Å; D597-G600 PolarHBondContact OD1-N 3.19Å; D597-R601 PolarHBondContact N-O 3.1Å; D597-R601 VanDerWaalsContact N-O 3.14Å; D597-R601 PolarHBondContact OD1-N 2.71Å; D597-R601 WeakPolarHBondContact OD2-CB 3.45Å; D597-L685 PolarHBondContact O-N 3.46Å; D597-L685 VanDerWaalsContact O-N 3.16Å
598	Y	88.1	Confident	85.6	Confident	62 Å²	62	15 Å²	15	24%	0.243	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-9	176.6	-67.3	-78.6	0	0	0	114.3	E579 S580 C582 Y681 G684 F686	E579-Y598 HydrophobicContact CG-CD2 4.44Å; S580-Y598 WeakPolarHBondContact O-CD2 3.27Å; S580-Y598 PolarHBondContact O-N 2.79Å; C582-Y598 HydrophobicContact CB-CD1 4.1Å; C582-Y598 HydrophobicContact CB-CD2 3.91Å; C582-Y598 HydrophobicContact CB-CE1 3.68Å; C582-Y598 HydrophobicContact CB-CE2 3.5Å; C582-Y598 VanDerWaalsContact CB-CE2 3.5Å; C582-Y598 HydrophobicContact CB-CG 4.18Å; Y598-Y681 WeakPolarHBondContact O-CD1 3.44Å; Y598-G684 VanDerWaalsContact O-CA 3.24Å; Y598-G684 WeakPolarHBondContact O-CA 3.03Å; Y598-G684 PolarHBondContact O-N 3.14Å; Y598-F686 HydrophobicContact CD1-CD1 4.43Å; Y598-F686 AromaticContact CD1-CE1 3.79Å; Y598-F686 HydrophobicContact CD1-CE1 3.79Å; Y598-F686 HydrophobicContact CE1-CD1 4.33Å; Y598-F686 AromaticContact CE1-CE1 3.99Å; Y598-F686 HydrophobicContact CE1-CE1 3.99Å
599	A	88	Confident	84.7	Confident	19 Å²	19	16.8 Å²	16.8	16%	0.157	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	9.6	-178.8	0	0	0	0	0	113.3	K578 E579 D597	K578-A599 HydrophobicContact CB-CB 3.54Å; K578-A599 HydrophobicContact CD-CB 3.97Å; K578-A599 HydrophobicContact CG-CB 4.44Å; E579-A599 HydrophobicContact CB-CB 3.74Å; D597-A599 PolarHBondContact O-N 3.31Å; D597-A599 VanDerWaalsContact O-N 3.13Å; D597-A599 WeakPolarHBondContact OD1-CA 3.44Å; D597-A599 PolarHBondContact OD1-N 3.22Å
600	G	90.1	Very high	83.9	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	87	16.8	170.5	0	0	0	0	0	115.8	D597 T631 A683	D597-G600 PolarHBondContact O-N 3.41Å; D597-G600 PolarHBondContact OD1-N 3.19Å; G600-T631 PolarHBondContact O-N 3.38Å; G600-T631 PolarHBondContact O-OG1 2.97Å; G600-A683 WeakPolarHBondContact CA-O 3.26Å; G600-A683 PolarHBondContact N-O 3.26Å
601	R	90.4	Very high	82.9	Confident	31 Å²	31	20.1 Å²	20.1	12%	0.117	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	135.1	176.2	-177.4	166.4	-76	-171.1	-7.4	111.4	K576 K578 G596 D597 V627 D630	K576-R601 WeakPolarHBondContact O-CD 3.37Å; K576-R601 PolarHBondContact O-NH1 2.88Å; K578-R601 HydrophobicContact CD-CB 4.37Å; G596-R601 WeakPolarHBondContact CA-O 3.44Å; D597-R601 PolarHBondContact N-O 3.1Å; D597-R601 VanDerWaalsContact N-O 3.14Å; D597-R601 PolarHBondContact OD1-N 2.71Å; D597-R601 WeakPolarHBondContact OD2-CB 3.45Å; R601-V627 HydrophobicContact CG-CG1 3.98Å; R601-V627 HydrophobicContact CG-CG2 4.45Å; R601-D630 VanDerWaalsContact CB-OD1 3.22Å; R601-D630 WeakPolarHBondContact CB-OD1 3.2Å; R601-D630 WeakPolarHBondContact CG-OD1 3.3Å; R601-D630 IonicContact CZ-OD1 2.92Å; R601-D630 IonicContact CZ-OD2 2.91Å; R601-D630 IonicContact NE-OD1 3.22Å; R601-D630 PolarHBondContact NE-OD1 3.13Å; R601-D630 IonicContact NE-OD2 2.7Å; R601-D630 PolarHBondContact NE-OD2 3.09Å; R601-D630 IonicContact NH2-OD1 3.52Å; R601-D630 IonicContact NH2-OD2 3.99Å; R601-D630 PolarHBondContact NH2-OD2 3.41Å
602	L	92	Very high	81.5	Confident	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.7	172.2	-154.6	72.7	0	0	0	110.3	V594 C595 I628 F629 L685 I688 I700 F702	V594-L602 HydrophobicContact CG1-CD1 3.87Å; V594-L602 HydrophobicContact CG1-CD2 3.88Å; V594-L602 HydrophobicContact CG1-CG 3.71Å; C595-L602 CarbonylContact O-C 3.46Å; C595-L602 WeakPolarHBondContact O-CA 3.33Å; L602-I628 HydrophobicContact CB-CG1 4.07Å; L602-I628 HydrophobicContact CD2-CD1 3.68Å; L602-I628 HydrophobicContact CD2-CG1 4Å; L602-I628 HydrophobicContact CG-CD1 4.07Å; L602-I628 HydrophobicContact CG-CG1 4.06Å; L602-I628 WeakPolarHBondContact O-CG1 3.13Å; L602-I628 PolarHBondContact O-N 3.35Å; L602-F629 HydrophobicContact CB-CB 3.7Å; L602-F629 HydrophobicContact CD2-CB 4.31Å; L602-F629 PolarHBondContact N-O 3.43Å; L602-F629 PolarHBondContact O-N 3.07Å; L602-L685 HydrophobicContact CB-CD1 4.23Å; L602-L685 HydrophobicContact CD1-CD1 4.01Å; L602-I688 HydrophobicContact CD1-CD1 3.68Å; L602-I688 HydrophobicContact CD1-CG1 4.17Å; L602-I700 HydrophobicContact CD2-CD1 3.58Å; L602-F702 HydrophobicContact CD2-CD1 3.56Å; L602-F702 HydrophobicContact CD2-CD2 4.41Å; L602-F702 HydrophobicContact CD2-CE1 3.6Å; L602-F702 HydrophobicContact CD2-CE2 4.44Å; L602-F702 HydrophobicContact CD2-CG 3.99Å; L602-F702 HydrophobicContact CD2-CZ 4.05Å
603	C	89.8	Confident	80	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	147.4	-179.3	-75	0	0	0	0	110	A575 H577 V594 C595 R626	A575-C603 HydrophobicContact CB-CB 4.48Å; H577-C603 PolarHBondContact CE1-SG 3.47Å; H577-C603 VanDerWaalsContact NE2-CB 3.31Å; H577-C603 WeakPolarHBondContact NE2-CB 3.47Å; H577-C603 PolarHBondContact NE2-SG 3.28Å; H577-C603 VanDerWaalsContact NE2-SG 3.37Å; V594-C603 CarbonylContact C-O 3.58Å; V594-C603 VanDerWaalsContact CA-O 3.32Å; V594-C603 WeakPolarHBondContact CA-O 3.42Å; C595-C603 PolarHBondContact N-O 3.37Å; C595-C603 PolarHBondContact O-N 2.87Å; C603-R626 CarbonylContact C-O 3.6Å; C603-R626 WeakPolarHBondContact CA-O 3.43Å
604	A	88.9	Confident	78.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	134.1	175.8	0	0	0	0	0	111.3	V593 V594 C625 R626 I628 I719	V593-A604 WeakPolarHBondContact O-CA 3.45Å; V594-A604 HydrophobicContact CG2-CB 4.25Å; A604-C625 WeakPolarHBondContact O-CA 3.31Å; A604-R626 PolarHBondContact N-O 2.9Å; A604-R626 PolarHBondContact O-N 3.47Å; A604-I628 HydrophobicContact CB-CD1 3.91Å; A604-I628 HydrophobicContact CB-CG1 4.21Å; A604-I628 HydrophobicContact CB-CG2 3.66Å; A604-I719 HydrophobicContact CB-CD1 4.38Å
605	F	84.6	Confident	76.7	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.009	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	147.4	175.3	60.5	-89.6	0	0	0	111.5	Y559 R573 C592 V593 C625	Y559-F605 AromaticContact CD1-CE1 3.68Å; Y559-F605 HydrophobicContact CD1-CE1 3.68Å; Y559-F605 AromaticContact CD1-CZ 3.5Å; Y559-F605 HydrophobicContact CD1-CZ 3.5Å; Y559-F605 VanDerWaalsContact CD1-CZ 3.5Å; Y559-F605 HydrophobicContact CD2-CD1 4.42Å; Y559-F605 AromaticContact CD2-CE1 3.75Å; Y559-F605 HydrophobicContact CD2-CE1 3.75Å; Y559-F605 AromaticContact CD2-CZ 3.99Å; Y559-F605 HydrophobicContact CD2-CZ 3.99Å; Y559-F605 AromaticContact CE1-CE1 3.78Å; Y559-F605 HydrophobicContact CE1-CE1 3.78Å; Y559-F605 HydrophobicContact CE1-CZ 4.05Å; Y559-F605 HydrophobicContact CE2-CD1 4.48Å; Y559-F605 AromaticContact CE2-CE1 3.86Å; Y559-F605 HydrophobicContact CE2-CE1 3.86Å; Y559-F605 HydrophobicContact CE2-CZ 4.5Å; Y559-F605 AromaticContact CG-CE1 3.64Å; Y559-F605 HydrophobicContact CG-CE1 3.64Å; Y559-F605 HydrophobicContact CG-CE2 4.32Å; Y559-F605 AromaticContact CG-CZ 3.44Å; Y559-F605 HydrophobicContact CG-CZ 3.44Å; Y559-F605 VanDerWaalsContact CG-CZ 3.44Å; Y559-F605 AromaticContact CZ-CE1 3.85Å; R573-F605 HydrophobicContact CB-CD2 4.48Å; R573-F605 HydrophobicContact CG-CD2 4.26Å; C592-F605 CarbonylContact C-O 3.52Å; C592-F605 WeakPolarHBondContact CA-O 3.38Å; C592-F605 VanDerWaalsContact SG-C 3.56Å; C592-F605 PolarHBondContact SG-O 3.32Å; V593-F605 HydrophobicContact CB-CD2 4.49Å; V593-F605 HydrophobicContact CB-CE1 4.13Å; V593-F605 HydrophobicContact CB-CE2 3.92Å; V593-F605 HydrophobicContact CB-CZ 3.72Å; V593-F605 HydrophobicContact CG1-CE1 4Å; V593-F605 HydrophobicContact CG1-CE2 4.43Å; V593-F605 HydrophobicContact CG1-CZ 3.74Å; V593-F605 HydrophobicContact CG2-CE2 4.48Å; V593-F605 PolarHBondContact N-O 3.14Å; V593-F605 PolarHBondContact O-N 2.79Å; F605-C625 HydrophobicContact CB-CB 3.9Å; F605-C625 HydrophobicContact CD1-CB 4.48Å
606	R	78.4	Confident	74.9	Confident	51 Å²	51	46.4 Å²	46.4	19%	0.192	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	137	174.4	-169.9	171.6	173	-159.5	-3.7	110.7	I719 G720	R606-I719 HydrophobicContact CB-CG2 4.47Å; R606-G720 WeakPolarHBondContact CB-O 3.38Å; R606-G720 WeakPolarHBondContact CD-O 3.47Å
607	V	71.9	Confident	73	Confident	13 Å²	13	48.8 Å²	48.8	8%	0.079	26%	0.259	C	S	.	.			trans	-75.8	132.9	177.9	171	0	0	0	0	110.4	F542 H546 M591 V593 F609	F542-V607 HydrophobicContact CD1-CG1 4.19Å; F542-V607 HydrophobicContact CE1-CB 4.23Å; F542-V607 HydrophobicContact CE1-CG1 3.91Å; F542-V607 HydrophobicContact CE1-CG2 3.91Å; F542-V607 HydrophobicContact CZ-CG2 4.02Å; H546-V607 VanDerWaalsContact NE2-CG1 3.26Å; H546-V607 WeakPolarHBondContact NE2-CG1 3.29Å; M591-V607 PolarHBondContact O-N 3Å; V593-V607 HydrophobicContact CB-CG2 4.33Å; V593-V607 HydrophobicContact CG2-CG2 3.44Å; V593-V607 VanDerWaalsContact CG2-CG2 3.44Å; V607-F609 HydrophobicContact CG1-CD2 3.77Å; V607-F609 HydrophobicContact CG1-CE2 3.13Å; V607-F609 HydrophobicContact CG1-CZ 3.64Å
608	R	68.2	Low	71	Confident	54 Å²	54	56.8 Å²	56.8	20%	0.204	30%	0.296	C	S	.	.			trans	-138.2	121.9	170.1	-56.3	-170.4	-166.7	-174.2	2.3	109.4	L620 D624 G720	R608-L620 HydrophobicContact CB-CD2 3.89Å; R608-D624 IonicContact CZ-OD2 2.71Å; R608-G720 PolarHBondContact NH2-OXT 3.29Å
609	F	64.7	Low	69.1	Low	43 Å²	43	60.8 Å²	60.8	19%	0.189	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-98.7	145.4	170.8	-60.6	-86.7	0	0	0	109.9	F542 P543 H546 V607	F542-F609 HydrophobicContact CB-CE1 4.37Å; F542-F609 HydrophobicContact CB-CE2 4.03Å; F542-F609 HydrophobicContact CB-CZ 3.51Å; F542-F609 AromaticContact CD1-CE2 3.63Å; F542-F609 HydrophobicContact CD1-CE2 3.63Å; F542-F609 AromaticContact CD1-CZ 3.66Å; F542-F609 HydrophobicContact CD1-CZ 3.66Å; F542-F609 HydrophobicContact CD2-CZ 4.49Å; F542-F609 HydrophobicContact CE1-CE2 4.42Å; F542-F609 HydrophobicContact CE1-CZ 4.49Å; F542-F609 HydrophobicContact CG-CE2 4.07Å; F542-F609 AromaticContact CG-CZ 3.64Å; F542-F609 HydrophobicContact CG-CZ 3.64Å; P543-F609 HydrophobicContact CG-CB 4.13Å; P543-F609 HydrophobicContact CG-CD1 3.62Å; P543-F609 HydrophobicContact CG-CD2 3.86Å; P543-F609 HydrophobicContact CG-CE1 3.95Å; P543-F609 HydrophobicContact CG-CE2 4.18Å; P543-F609 HydrophobicContact CG-CG 3.58Å; P543-F609 HydrophobicContact CG-CZ 4.23Å; H546-F609 AromaticContact CE1-CE1 3.53Å; H546-F609 AromaticContact CE1-CZ 3.29Å; H546-F609 WeakPolarHBondContact CE1-CZ 3.34Å; H546-F609 AromaticContact NE2-CE1 3.84Å; H546-F609 AromaticContact NE2-CE2 3.93Å; H546-F609 AromaticContact NE2-CZ 3.16Å; H546-F609 WeakPolarHBondContact NE2-CZ 3.38Å; V607-F609 HydrophobicContact CG1-CD2 3.77Å; V607-F609 HydrophobicContact CG1-CE2 3.13Å; V607-F609 HydrophobicContact CG1-CZ 3.64Å
610	I	63.1	Low	67.3	Low	15 Å²	15	61.6 Å²	61.6	8%	0.077	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-101.1	134.8	164.9	-51.7	177	0	0	0	107.1	T570 K614 L616 L620	T570-I610 WeakPolarHBondContact CB-O 3.34Å; T570-I610 WeakPolarHBondContact O-CB 3.44Å; T570-I610 VanDerWaalsContact O-CG1 3.24Å; T570-I610 WeakPolarHBondContact O-CG1 3.48Å; T570-I610 PolarHBondContact O-N 3.42Å; T570-I610 VanDerWaalsContact O-N 3.07Å; I610-K614 HydrophobicContact CG2-CB 3.64Å; I610-L616 HydrophobicContact CD1-CB 4.27Å; I610-L616 HydrophobicContact CD1-CD1 3.65Å; I610-L616 HydrophobicContact CD1-CG 3.62Å; I610-L620 HydrophobicContact CD1-CB 4.12Å; I610-L620 HydrophobicContact CD1-CD1 3.71Å; I610-L620 HydrophobicContact CD1-CD2 4.22Å; I610-L620 HydrophobicContact CD1-CG 4.21Å; I610-L620 HydrophobicContact CG1-CD1 4.01Å; I610-L620 HydrophobicContact CG1-CD2 4.07Å
611	L	58.4	Low	65.4	Low	119 Å²	119	65.4 Å²	65.4	62%	0.623	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-69.8	149.1	176.3	-69.2	171.3	0	0	0	110.5	G613 K614	L611-G613 PolarHBondContact O-N 3.33Å; L611-K614 PolarHBondContact O-N 3.13Å
612	P	53.3	Low	63.5	Low	72 Å²	72	65 Å²	65	47%	0.468	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	140.4	175.5	-26.3	34.5	0	0	0	112.2	K614	P612-K614 VanDerWaalsContact C-N 3.34Å; P612-K614 PolarHBondContact O-N 3.31Å
613	G	54.8	Low	61.8	Low	89 Å²	89	70.3 Å²	70.3	92%	0.918	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-14.4	179.8	0	0	0	0	0	116.2	L611	L611-G613 PolarHBondContact O-N 3.33Å
614	K	58.1	Low	60.7	Low	135 Å²	135	71.9 Å²	71.9	59%	0.587	38%	0.384	S	S	*	.	S	Bend	trans	-88.6	131	170.6	-68.5	-170.6	176.6	-171	0	110.6	I610 L611 P612	I610-K614 HydrophobicContact CG2-CB 3.64Å; L611-K614 PolarHBondContact O-N 3.13Å; P612-K614 VanDerWaalsContact C-N 3.34Å; P612-K614 PolarHBondContact O-N 3.31Å
615	K	53.7	Low	60	Low	200 Å²	200	72.9 Å²	72.9	87%	0.87	39%	0.391	S	S	*	.			trans	-64.5	142.8	176.3	-71.8	-174	177.3	-178.4	0	110.8	S617	K615-S617 PolarHBondContact O-N 2.9Å; K615-S617 VanDerWaalsContact O-N 3.13Å
616	L	54.7	Low	59.8	Low	69 Å²	69	78.4 Å²	78.4	36%	0.361	41%	0.412	S	S	.	.			trans	-58.2	114.9	166.4	-117.9	90.4	0	0	0	108.6	I610 T621	I610-L616 HydrophobicContact CD1-CB 4.27Å; I610-L616 HydrophobicContact CD1-CD1 3.65Å; I610-L616 HydrophobicContact CD1-CG 3.62Å; L616-T621 HydrophobicContact CD2-CG2 3.89Å
617	S	51	Low	60.2	Low	49 Å²	49	77.5 Å²	77.5	34%	0.343	41%	0.411	S	S	.	.			trans	-79.4	150.1	170.7	86.1	0	0	0	0	109.9	K615 H619 L620	K615-S617 PolarHBondContact O-N 2.9Å; K615-S617 VanDerWaalsContact O-N 3.13Å; S617-H619 PolarHBondContact O-N 2.74Å; S617-H619 VanDerWaalsContact O-N 3.08Å; S617-H619 PolarHBondContact OG-N 3.1Å; S617-L620 PolarHBondContact O-N 2.97Å
618	H	50.2	Low	61	Low	169 Å²	169	76.9 Å²	76.9	78%	0.782	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-59.5	-19.5	175.4	-75.4	-79.3	0	0	0	113.3	L620 T621	H618-L620 VanDerWaalsContact C-N 3.31Å; H618-T621 WeakPolarHBondContact CA-OG1 3.31Å; H618-T621 PolarHBondContact O-N 3.01Å; H618-T621 PolarHBondContact O-OG1 3.15Å
619	H	46.7	Very low	62.2	Low	145 Å²	145	74.3 Å²	74.3	67%	0.671	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-77.8	-14.3	172.8	-59.7	-41.7	0	0	0	113.8	S617	S617-H619 PolarHBondContact O-N 2.74Å; S617-H619 VanDerWaalsContact O-N 3.08Å; S617-H619 PolarHBondContact OG-N 3.1Å
620	L	50.2	Low	63.4	Low	36 Å²	36	73 Å²	73	19%	0.188	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-90.4	-4.6	168.6	-81.8	132.6	0	0	0	112.7	R573 R608 I610 S617 H618	R573-L620 PolarHBondContact NH1-O 2.64Å; R608-L620 HydrophobicContact CB-CD2 3.89Å; I610-L620 HydrophobicContact CD1-CB 4.12Å; I610-L620 HydrophobicContact CD1-CD1 3.71Å; I610-L620 HydrophobicContact CD1-CD2 4.22Å; I610-L620 HydrophobicContact CD1-CG 4.21Å; I610-L620 HydrophobicContact CG1-CD1 4.01Å; I610-L620 HydrophobicContact CG1-CD2 4.07Å; S617-L620 PolarHBondContact O-N 2.97Å; H618-L620 VanDerWaalsContact C-N 3.31Å
621	T	51.1	Low	64.7	Low	80 Å²	80	72.4 Å²	72.4	49%	0.491	39%	0.39	S	S	.	.	S	Bend	trans	-99.7	62.9	166.4	53.7	0	0	0	0	110.6	L616 H618	L616-T621 HydrophobicContact CD2-CG2 3.89Å; H618-T621 WeakPolarHBondContact CA-OG1 3.31Å; H618-T621 PolarHBondContact O-N 3.01Å; H618-T621 PolarHBondContact O-OG1 3.15Å
622	G	50.2	Low	66.2	Low	22 Å²	22	68.1 Å²	68.1	23%	0.227	37%	0.369	C	S	.	.	S	Bend	trans	-115.4	148.5	-179.3	0	0	0	0	0	113.2	R573 D624	R573-G622 WeakPolarHBondContact CD-O 3.25Å; G622-D624 PolarHBondContact O-N 3.12Å
623	N	56.2	Low	67.9	Low	112 Å²	112	67.6 Å²	67.6	60%	0.599	36%	0.364	S	S	*	.			trans	-74.7	63.4	167.9	-81.9	-23.6	0	0	0	110.5	C625	N623-C625 PolarHBondContact O-N 2.86Å
624	D	65.9	Low	69.5	Low	34 Å²	34	66.6 Å²	66.6	18%	0.182	34%	0.335	C	S	.	.			trans	-70.2	-9	171.6	-63.4	-24.3	0	0	0	112	R573 R608 G622	R573-D624 IonicContact CZ-OD2 2.68Å; R573-D624 IonicContact NE-OD2 3.16Å; R573-D624 PolarHBondContact NE-OD2 3.15Å; R573-D624 IonicContact NH2-OD2 3.18Å; R573-D624 PolarHBondContact NH2-OD2 2.88Å; R608-D624 IonicContact CZ-OD2 2.71Å; G622-D624 PolarHBondContact O-N 3.12Å
625	C	74.3	Confident	70.9	Confident	22 Å²	22	68.1 Å²	68.1	15%	0.149	34%	0.344	C	S	.	.			trans	-77.9	125.9	178.6	-166	0	0	0	0	112.4	C574 A575 A604 F605 N623	C574-C625 WeakPolarHBondContact O-CB 3.34Å; A575-C625 HydrophobicContact CB-CB 3.77Å; A575-C625 WeakPolarHBondContact CB-SG 3.31Å; A604-C625 WeakPolarHBondContact O-CA 3.31Å; F605-C625 HydrophobicContact CB-CB 3.9Å; F605-C625 HydrophobicContact CD1-CB 4.48Å; N623-C625 PolarHBondContact O-N 2.86Å
626	R	81.6	Confident	72.4	Confident	118 Å²	118	60.2 Å²	60.2	45%	0.445	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	138.2	176.9	-60.4	-175.4	179.1	-139.5	-8.2	109.7	C603 A604 I628 K718	C603-R626 CarbonylContact C-O 3.6Å; C603-R626 WeakPolarHBondContact CA-O 3.43Å; A604-R626 PolarHBondContact N-O 2.9Å; A604-R626 PolarHBondContact O-N 3.47Å; R626-I628 HydrophobicContact CB-CG2 4.39Å; R626-I628 PolarHBondContact O-N 3.39Å; R626-K718 VanDerWaalsContact CD-O 3.23Å; R626-K718 WeakPolarHBondContact CD-O 3.39Å; R626-K718 PolarHBondContact NE-O 3.3Å; R626-K718 PolarHBondContact NH1-O 3.3Å
627	V	86.4	Confident	74	Confident	31 Å²	31	65 Å²	65	19%	0.188	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	120.1	163.3	179.7	0	0	0	0	106.4	R601 F629 D630 G659	R601-V627 HydrophobicContact CG-CG1 3.98Å; R601-V627 HydrophobicContact CG-CG2 4.45Å; V627-F629 WeakPolarHBondContact CG1-O 3.24Å; V627-D630 HydrophobicContact CG1-CB 4.18Å; V627-G659 VanDerWaalsContact O-CA 3.31Å; V627-G659 WeakPolarHBondContact O-CA 3.24Å
628	I	89.3	Confident	75.8	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-23.5	-177.4	60.4	161.5	0	0	0	112.3	V594 L602 A604 R626 I700 L714 Q717	V594-I628 HydrophobicContact CG1-CD1 4.14Å; L602-I628 HydrophobicContact CB-CG1 4.07Å; L602-I628 HydrophobicContact CD2-CD1 3.68Å; L602-I628 HydrophobicContact CD2-CG1 4Å; L602-I628 HydrophobicContact CG-CD1 4.07Å; L602-I628 HydrophobicContact CG-CG1 4.06Å; L602-I628 WeakPolarHBondContact O-CG1 3.13Å; L602-I628 PolarHBondContact O-N 3.35Å; A604-I628 HydrophobicContact CB-CD1 3.91Å; A604-I628 HydrophobicContact CB-CG1 4.21Å; A604-I628 HydrophobicContact CB-CG2 3.66Å; R626-I628 HydrophobicContact CB-CG2 4.39Å; R626-I628 PolarHBondContact O-N 3.39Å; I628-I700 HydrophobicContact CD1-CD1 3.71Å; I628-L714 HydrophobicContact CB-CD2 4.42Å; I628-L714 HydrophobicContact CD1-CD1 4.04Å; I628-L714 HydrophobicContact CD1-CD2 3.89Å; I628-Q717 VanDerWaalsContact CG2-OE1 3.27Å
629	F	91.8	Very high	77.6	Confident	1 Å²	1	65 Å²	65	0%	0.004	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	146	172.4	-177.5	-103.1	0	0	0	109.5	Y284 L602 V627 T631 F655 Y656 P657 L685 F702 H710 M712	Y284-F629 HydrophobicContact CE2-CE2 4.27Å; Y284-F629 WeakPolarHBondContact OH-CE2 3.39Å; L602-F629 HydrophobicContact CB-CB 3.7Å; L602-F629 HydrophobicContact CD2-CB 4.31Å; L602-F629 PolarHBondContact N-O 3.43Å; L602-F629 PolarHBondContact O-N 3.07Å; V627-F629 WeakPolarHBondContact CG1-O 3.24Å; F629-T631 VanDerWaalsContact CE1-OG1 3.28Å; F629-T631 WeakPolarHBondContact CE1-OG1 3.44Å; F629-F655 HydrophobicContact CE1-CD1 4.4Å; F629-F655 HydrophobicContact CE2-CB 3.86Å; F629-F655 HydrophobicContact CE2-CD1 4.48Å; F629-F655 HydrophobicContact CE2-CG 4.38Å; F629-F655 HydrophobicContact CZ-CB 3.86Å; F629-F655 AromaticContact CZ-CD1 3.63Å; F629-F655 HydrophobicContact CZ-CD1 3.63Å; F629-F655 HydrophobicContact CZ-CE1 4.44Å; F629-F655 AromaticContact CZ-CG 3.94Å; F629-F655 HydrophobicContact CZ-CG 3.94Å; F629-Y656 WeakPolarHBondContact CA-O 3.4Å; F629-P657 HydrophobicContact CD2-CB 4.17Å; F629-P657 HydrophobicContact CE2-CB 4.44Å; F629-L685 HydrophobicContact CD1-CD1 4.36Å; F629-F702 HydrophobicContact CB-CZ 4.09Å; F629-F702 AromaticContact CD1-CE2 3.54Å; F629-F702 HydrophobicContact CD1-CE2 3.54Å; F629-F702 AromaticContact CD1-CZ 3.84Å; F629-F702 HydrophobicContact CD1-CZ 3.84Å; F629-F702 HydrophobicContact CD2-CE2 4.33Å; F629-F702 AromaticContact CD2-CZ 3.91Å; F629-F702 HydrophobicContact CD2-CZ 3.91Å; F629-F702 AromaticContact CE1-CE2 3.59Å; F629-F702 HydrophobicContact CE1-CE2 3.59Å; F629-F702 HydrophobicContact CE1-CZ 4.16Å; F629-F702 HydrophobicContact CE2-CE2 4.38Å; F629-F702 HydrophobicContact CE2-CZ 4.23Å; F629-F702 AromaticContact CG-CE2 3.91Å; F629-F702 HydrophobicContact CG-CE2 3.91Å; F629-F702 AromaticContact CG-CZ 3.69Å; F629-F702 HydrophobicContact CG-CZ 3.69Å; F629-F702 HydrophobicContact CZ-CE2 4.02Å; F629-F702 HydrophobicContact CZ-CZ 4.33Å; F629-H710 AromaticContact CZ-CE1 3.73Å; F629-H710 AromaticContact CZ-ND1 3.86Å; F629-M712 HydrophobicContact CB-CE 3.85Å; F629-M712 HydrophobicContact CD2-CE 3.72Å; F629-M712 HydrophobicContact CG-CE 4.18Å
630	D	91	Very high	79.8	Confident	14 Å²	14	58.5 Å²	58.5	8%	0.075	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	130.3	172.2	-154.2	29.8	0	0	0	110.8	K578 R601 V627 Y656	K578-D630 WeakPolarHBondContact CE-OD1 3.46Å; K578-D630 WeakPolarHBondContact CE-OD2 3.29Å; K578-D630 IonicContact NZ-OD1 2.95Å; K578-D630 PolarHBondContact NZ-OD1 3.42Å; K578-D630 IonicContact NZ-OD2 3.72Å; K578-D630 PolarHBondContact NZ-OD2 3.34Å; R601-D630 VanDerWaalsContact CB-OD1 3.22Å; R601-D630 WeakPolarHBondContact CB-OD1 3.2Å; R601-D630 WeakPolarHBondContact CG-OD1 3.3Å; R601-D630 IonicContact CZ-OD1 2.92Å; R601-D630 IonicContact CZ-OD2 2.91Å; R601-D630 IonicContact NE-OD1 3.22Å; R601-D630 PolarHBondContact NE-OD1 3.13Å; R601-D630 IonicContact NE-OD2 2.7Å; R601-D630 PolarHBondContact NE-OD2 3.09Å; R601-D630 IonicContact NH2-OD1 3.52Å; R601-D630 IonicContact NH2-OD2 3.99Å; R601-D630 PolarHBondContact NH2-OD2 3.41Å; V627-D630 HydrophobicContact CG1-CB 4.18Å; D630-Y656 PolarHBondContact N-O 2.95Å; D630-Y656 WeakPolarHBondContact O-CB 3.31Å; D630-Y656 PolarHBondContact O-N 3.09Å
631	T	91	Very high	81.8	Confident	4 Å²	4	60.2 Å²	60.2	3%	0.025	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	133.8	168.7	-52.6	0	0	0	0	109.7	K578 G600 F629 F653 F655 A683	K578-T631 PolarHBondContact NZ-O 3.11Å; G600-T631 PolarHBondContact O-N 3.38Å; G600-T631 PolarHBondContact O-OG1 2.97Å; F629-T631 VanDerWaalsContact CE1-OG1 3.28Å; F629-T631 WeakPolarHBondContact CE1-OG1 3.44Å; T631-F653 HydrophobicContact CG2-CB 4.11Å; T631-F653 HydrophobicContact CG2-CD1 3.73Å; T631-F653 HydrophobicContact CG2-CG 4.19Å; T631-F655 HydrophobicContact CG2-CD1 3.99Å; T631-F655 HydrophobicContact CG2-CE1 3.96Å; T631-A683 HydrophobicContact CG2-CB 3.61Å
632	V	88.9	Confident	83.7	Confident	28 Å²	28	56.9 Å²	56.9	17%	0.17	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	118.2	168.1	175.4	0	0	0	0	108.2	K634 L654 Y656	V632-K634 HydrophobicContact CG1-CD 4.45Å; V632-L654 HydrophobicContact CB-CB 4.29Å; V632-L654 PolarHBondContact N-O 2.97Å; V632-L654 PolarHBondContact O-N 3.33Å; V632-Y656 HydrophobicContact CB-CE2 4.43Å; V632-Y656 HydrophobicContact CG2-CD2 4.2Å; V632-Y656 HydrophobicContact CG2-CE2 3.87Å
633	V	88.9	Confident	85.7	Confident	61 Å²	61	60.2 Å²	60.2	37%	0.37	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	130.6	170.2	-172.5	0	0	0	0	108.2	V651 F653 A683	V633-V651 HydrophobicContact CG1-CG1 3.79Å; V633-F653 HydrophobicContact CG2-CD1 4.24Å; V633-F653 HydrophobicContact CG2-CE1 4.08Å; V633-A683 HydrophobicContact CG2-CB 4.09Å
634	K	88.3	Confident	87.2	Confident	69 Å²	69	58.2 Å²	58.2	30%	0.3	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119.9	176.7	-69	-73.9	-168	163.7	0	107.9	N266 W270 V632 V651 G652 L654	N266-K634 PolarHBondContact OD1-NZ 3.41Å; N266-K634 VanDerWaalsContact OD1-NZ 3.14Å; W270-K634 HydrophobicContact CH2-CB 3.93Å; W270-K634 HydrophobicContact CH2-CG 4.18Å; V632-K634 HydrophobicContact CG1-CD 4.45Å; K634-V651 WeakPolarHBondContact O-CA 3.42Å; K634-G652 PolarHBondContact N-O 3.5Å; K634-G652 PolarHBondContact O-N 3.01Å; K634-L654 HydrophobicContact CG-CB 4.17Å
635	E	87.9	Confident	88.3	Confident	166 Å²	166	59.2 Å²	59.2	78%	0.776	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	134.9	165.3	-61.4	-176.9	164.4	0	0	107.5	N650 V651	E635-N650 WeakPolarHBondContact CA-O 3.3Å; E635-V651 HydrophobicContact CG-CG2 4.38Å
636	A	85.7	Confident	89	Confident	35 Å²	35	61.3 Å²	61.3	29%	0.289	35%	0.347	S	S	.	.			trans	-121.8	139.4	178.9	0	0	0	0	0	110	Q638 I640 N650	A636-Q638 WeakPolarHBondContact CB-O 3.48Å; A636-Q638 PolarHBondContact O-N 3.47Å; A636-I640 HydrophobicContact CB-CG1 4.1Å; A636-N650 PolarHBondContact N-O 3.04Å; A636-N650 WeakPolarHBondContact O-CB 3.12Å; A636-N650 PolarHBondContact O-ND2 3.08Å; A636-N650 VanDerWaalsContact O-ND2 3.09Å
637	D	86.9	Confident	89.4	Confident	169 Å²	169	63 Å²	63	90%	0.904	36%	0.357	S	S	*	.	S	Bend	trans	-64.9	-29.6	179.8	-55.8	-51.6	0	0	0	112	N650	D637-N650 PolarHBondContact O-ND2 3.2Å
638	Q	88.7	Confident	89.3	Confident	156 Å²	156	62.9 Å²	62.9	73%	0.729	36%	0.358	S	S	*	.	S	Bend	trans	-108.5	151.7	175.5	-63.3	-172.5	2.1	0	0	111.4	A636 I640	A636-Q638 WeakPolarHBondContact CB-O 3.48Å; A636-Q638 PolarHBondContact O-N 3.47Å; Q638-I640 PolarHBondContact O-N 2.88Å
639	P	89.8	Confident	89.1	Confident	62 Å²	62	64.6 Å²	64.6	40%	0.403	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-57.2	126.1	175.7	-24.5	34.1	0	0	0	112	V641 K647 N650	P639-V641 PolarHBondContact O-N 2.95Å; P639-K647 HydrophobicContact CB-CB 4.47Å; P639-N650 WeakPolarHBondContact CA-OD1 3.5Å
640	I	91.5	Very high	89	Confident	8 Å²	8	67.9 Å²	67.9	4%	0.041	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-61.6	127.4	174.8	-63.9	170	0	0	0	108.7	P261 W270 A636 Q638 C648 G649	P261-I640 HydrophobicContact CB-CB 4.49Å; P261-I640 HydrophobicContact CB-CG2 3.75Å; P261-I640 HydrophobicContact CG-CB 4.11Å; P261-I640 HydrophobicContact CG-CD1 3.89Å; P261-I640 HydrophobicContact CG-CG2 3.89Å; W270-I640 HydrophobicContact CB-CG2 3.8Å; W270-I640 HydrophobicContact CD2-CD1 4.48Å; W270-I640 HydrophobicContact CD2-CG2 3.45Å; W270-I640 VanDerWaalsContact CD2-CG2 3.45Å; W270-I640 HydrophobicContact CE3-CD1 4.44Å; W270-I640 HydrophobicContact CE3-CG2 3.98Å; W270-I640 HydrophobicContact CG-CG2 3.36Å; W270-I640 HydrophobicContact CH2-CD1 4Å; W270-I640 HydrophobicContact CZ2-CD1 4Å; W270-I640 HydrophobicContact CZ2-CG1 4.44Å; W270-I640 HydrophobicContact CZ3-CD1 4.23Å; A636-I640 HydrophobicContact CB-CG1 4.1Å; Q638-I640 PolarHBondContact O-N 2.88Å; I640-C648 PolarHBondContact O-N 2.96Å; I640-G649 WeakPolarHBondContact CB-O 3.36Å; I640-G649 PolarHBondContact N-O 3.48Å
641	V	92.3	Very high	88.9	Confident	72 Å²	72	69 Å²	69	44%	0.436	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-103.2	126.5	172.8	-176.2	0	0	0	0	108.3	P639 N646 K647	P639-V641 PolarHBondContact O-N 2.95Å; V641-N646 WeakPolarHBondContact CA-O 3.24Å; V641-K647 HydrophobicContact CG2-CG 4.26Å
642	N	91	Very high	88.8	Confident	11 Å²	11	68.8 Å²	68.8	6%	0.059	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-83.2	173.8	178.4	73.2	4.5	0	0	0	112.6	W270 T272 A644 G645 N646	W270-N642 CarbonylContact O-C 3.09Å; W270-N642 WeakPolarHBondContact O-CA 3.46Å; W270-N642 WeakPolarHBondContact O-CB 3.28Å; T272-N642 HydrophobicContact CG2-CB 4.18Å; T272-N642 PolarHBondContact OG1-ND2 2.98Å; N642-A644 PolarHBondContact O-N 2.95Å; N642-A644 VanDerWaalsContact O-N 3.11Å; N642-A644 VanDerWaalsContact OD1-C 3.31Å; N642-A644 WeakPolarHBondContact OD1-CA 3.28Å; N642-A644 WeakPolarHBondContact OD1-CB 3.46Å; N642-A644 PolarHBondContact OD1-N 3.13Å; N642-G645 PolarHBondContact O-N 3.47Å; N642-G645 PolarHBondContact OD1-N 2.64Å; N642-G645 VanDerWaalsContact OD1-N 3.15Å; N642-N646 PolarHBondContact N-O 3.33Å; N642-N646 WeakPolarHBondContact OD1-CB 3.37Å; N642-N646 PolarHBondContact OD1-N 3.32Å; N642-N646 PolarHBondContact OD1-O 2.68Å
643	T	91.5	Very high	88.9	Confident	91 Å²	91	67.5 Å²	67.5	56%	0.558	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.3	175	46.5	0	0	0	0	114.7	P269 W270 F271 G645	P269-T643 HydrophobicContact CB-CG2 3.68Å; W270-T643 PolarHBondContact O-N 3.2Å; F271-T643 HydrophobicContact CD1-CG2 4.18Å; F271-T643 HydrophobicContact CE1-CG2 4.09Å; T643-G645 VanDerWaalsContact C-N 3.35Å
644	A	88.8	Confident	89	Confident	70 Å²	70	64.6 Å²	64.6	58%	0.579	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	10.5	174.6	0	0	0	0	0	113.3	N642 N646	N642-A644 PolarHBondContact O-N 2.95Å; N642-A644 VanDerWaalsContact O-N 3.11Å; N642-A644 VanDerWaalsContact OD1-C 3.31Å; N642-A644 WeakPolarHBondContact OD1-CA 3.28Å; N642-A644 WeakPolarHBondContact OD1-CB 3.46Å; N642-A644 PolarHBondContact OD1-N 3.13Å; A644-N646 PolarHBondContact O-N 3.31Å; A644-N646 PolarHBondContact O-ND2 3.02Å
645	G	89.6	Confident	89.2	Confident	56 Å²	56	61.3 Å²	61.3	58%	0.577	36%	0.359	S	S	*	.	S	Bend	trans	73.5	4.5	-179.9	0	0	0	0	0	115.2	N642 T643	N642-G645 PolarHBondContact O-N 3.47Å; N642-G645 PolarHBondContact OD1-N 2.64Å; N642-G645 VanDerWaalsContact OD1-N 3.15Å; T643-G645 VanDerWaalsContact C-N 3.35Å
646	N	88.8	Confident	89.1	Confident	66 Å²	66	55.7 Å²	55.7	35%	0.353	33%	0.331	S	S	.	.			trans	-83	134.5	-178.6	-71.5	-82.2	0	0	0	111.2	V641 N642 A644 C648	V641-N646 WeakPolarHBondContact CA-O 3.24Å; N642-N646 PolarHBondContact N-O 3.33Å; N642-N646 WeakPolarHBondContact OD1-CB 3.37Å; N642-N646 PolarHBondContact OD1-N 3.32Å; N642-N646 PolarHBondContact OD1-O 2.68Å; A644-N646 PolarHBondContact O-N 3.31Å; A644-N646 PolarHBondContact O-ND2 3.02Å; N646-C648 PolarHBondContact O-SG 3.06Å
647	K	89.1	Confident	88.5	Confident	153 Å²	153	55.5 Å²	55.5	67%	0.665	33%	0.327	S	S	*	.	B	Isolated β-bridge	trans	-71.1	126.7	166.5	-66.2	-179.7	-179.3	179.8	0	109.4	P639 V641	P639-K647 HydrophobicContact CB-CB 4.47Å; V641-K647 HydrophobicContact CG2-CG 4.26Å
648	C	84.8	Confident	87.4	Confident	29 Å²	29	52.1 Å²	52.1	20%	0.196	31%	0.312	C	S	.	.			trans	-118.1	12.6	-169.4	-61.9	0	0	0	0	113.8	P261 T272 I640 N646	P261-C648 HydrophobicContact CB-CB 3.81Å; P261-C648 HydrophobicContact CG-CB 3.69Å; T272-C648 HydrophobicContact CG2-CB 4.43Å; I640-C648 PolarHBondContact O-N 2.96Å; N646-C648 PolarHBondContact O-SG 3.06Å
649	G	85.7	Confident	85.6	Confident	36 Å²	36	47.1 Å²	47.1	37%	0.371	30%	0.303	S	S	.	.			trans	86.6	-174.8	-173.3	0	0	0	0	0	112.8	I640	I640-G649 WeakPolarHBondContact CB-O 3.36Å; I640-G649 PolarHBondContact N-O 3.48Å
650	N	88.5	Confident	83.3	Confident	69 Å²	69	52.7 Å²	52.7	37%	0.369	32%	0.321	S	S	.	.	S	Bend	trans	-99.4	-3.3	-170.4	-71.9	38.3	0	0	0	113.8	E635 A636 D637 P639	E635-N650 WeakPolarHBondContact CA-O 3.3Å; A636-N650 PolarHBondContact N-O 3.04Å; A636-N650 WeakPolarHBondContact O-CB 3.12Å; A636-N650 PolarHBondContact O-ND2 3.08Å; A636-N650 VanDerWaalsContact O-ND2 3.09Å; D637-N650 PolarHBondContact O-ND2 3.2Å; P639-N650 WeakPolarHBondContact CA-OD1 3.5Å
651	V	89	Confident	80.8	Confident	38 Å²	38	55.6 Å²	55.6	23%	0.23	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.5	-178	-173.2	0	0	0	0	109.2	P261 V633 K634 E635 L682	P261-V651 WeakPolarHBondContact CD-O 3.21Å; P261-V651 WeakPolarHBondContact CG-O 3.48Å; V633-V651 HydrophobicContact CG1-CG1 3.79Å; K634-V651 WeakPolarHBondContact O-CA 3.42Å; E635-V651 HydrophobicContact CG-CG2 4.38Å; V651-L682 HydrophobicContact CG1-CD1 4.2Å
652	G	89.4	Confident	78.1	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	172.5	175.5	0	0	0	0	0	112.8	P261 K634	P261-G652 CarbonylContact O-C 3.55Å; P261-G652 WeakPolarHBondContact O-CA 3.18Å; K634-G652 PolarHBondContact N-O 3.5Å; K634-G652 PolarHBondContact O-N 3.01Å
653	F	91.8	Very high	75.3	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.1	179.5	-60.1	-60.9	0	0	0	111.7	F260 P261 Y262 Q263 T631 V633 F655 L682 A683 S706	F260-F653 HydrophobicContact CB-CD2 3.61Å; F260-F653 HydrophobicContact CB-CE2 3.33Å; F260-F653 HydrophobicContact CB-CZ 4.32Å; F260-F653 HydrophobicContact CD1-CE2 4.31Å; F260-F653 AromaticContact CD2-CE2 3.75Å; F260-F653 HydrophobicContact CD2-CE2 3.75Å; F260-F653 HydrophobicContact CD2-CZ 4.26Å; F260-F653 HydrophobicContact CG-CD2 4.3Å; F260-F653 AromaticContact CG-CE2 3.54Å; F260-F653 HydrophobicContact CG-CE2 3.54Å; F260-F653 HydrophobicContact CG-CZ 4.14Å; P261-F653 PolarHBondContact O-N 2.72Å; Y262-F653 CarbonylContact C-O 3.59Å; Y262-F653 WeakPolarHBondContact CA-O 3.49Å; Y262-F653 WeakPolarHBondContact CB-O 3.48Å; Q263-F653 PolarHBondContact N-O 2.96Å; T631-F653 HydrophobicContact CG2-CB 4.11Å; T631-F653 HydrophobicContact CG2-CD1 3.73Å; T631-F653 HydrophobicContact CG2-CG 4.19Å; V633-F653 HydrophobicContact CG2-CD1 4.24Å; V633-F653 HydrophobicContact CG2-CE1 4.08Å; F653-F655 HydrophobicContact CB-CD1 4.06Å; F653-F655 HydrophobicContact CB-CE1 3.54Å; F653-F655 HydrophobicContact CB-CE2 4.48Å; F653-F655 HydrophobicContact CB-CZ 3.79Å; F653-F655 HydrophobicContact CD2-CE1 4.34Å; F653-F655 HydrophobicContact CD2-CZ 4.13Å; F653-F655 HydrophobicContact CG-CE1 4.04Å; F653-F655 HydrophobicContact CG-CZ 4.23Å; F653-L682 HydrophobicContact CE1-CB 3.98Å; F653-L682 HydrophobicContact CZ-CB 4.01Å; F653-L682 WeakPolarHBondContact CZ-O 3.31Å; F653-A683 HydrophobicContact CE1-CB 4.31Å; F653-S706 VanDerWaalsContact CE2-CB 3.41Å
654	L	90.7	Very high	72.5	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	108.1	164.7	173.2	58.4	0	0	0	107.9	Q263 N266 V632 K634 Y656	Q263-L654 HydrophobicContact CB-CD1 3.57Å; N266-L654 HydrophobicContact CB-CD2 3.82Å; N266-L654 WeakPolarHBondContact OD1-CD2 3.18Å; V632-L654 HydrophobicContact CB-CB 4.29Å; V632-L654 PolarHBondContact N-O 2.97Å; V632-L654 PolarHBondContact O-N 3.33Å; K634-L654 HydrophobicContact CG-CB 4.17Å; L654-Y656 HydrophobicContact CD1-CE2 4.43Å; L654-Y656 HydrophobicContact CD2-CD2 4.43Å; L654-Y656 HydrophobicContact CD2-CE1 4.49Å; L654-Y656 HydrophobicContact CD2-CE2 3.47Å; L654-Y656 VanDerWaalsContact CD2-CE2 3.47Å; L654-Y656 WeakPolarHBondContact CD2-OH 3.47Å; L654-Y656 HydrophobicContact CG-CD2 3.99Å; L654-Y656 HydrophobicContact CG-CE2 3.51Å
655	F	91.1	Very high	69.9	Low	0 Å²	0	62.5 Å²	62.5	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	124.2	177.6	-61	-40.9	0	0	0	109.4	Y262 Q263 L264 I286 F629 T631 F653 P657 H708 H710	Y262-F655 VanDerWaalsContact CB-CE2 3.44Å; Y262-F655 HydrophobicContact CD1-CE2 4.09Å; Y262-F655 AromaticContact CD2-CD2 3.69Å; Y262-F655 HydrophobicContact CD2-CD2 3.69Å; Y262-F655 AromaticContact CD2-CE2 3.8Å; Y262-F655 HydrophobicContact CD2-CE2 3.8Å; Y262-F655 AromaticContact CG-CD2 3.85Å; Y262-F655 HydrophobicContact CG-CD2 3.85Å; Y262-F655 AromaticContact CG-CE2 3.5Å; Y262-F655 HydrophobicContact CG-CE2 3.5Å; Q263-F655 PolarHBondContact O-N 3.07Å; L264-F655 HydrophobicContact CD2-CB 4.33Å; L264-F655 HydrophobicContact CD2-CD2 4.41Å; I286-F655 HydrophobicContact CD1-CD2 3.88Å; I286-F655 HydrophobicContact CD1-CE2 4.14Å; F629-F655 HydrophobicContact CE1-CD1 4.4Å; F629-F655 HydrophobicContact CE2-CB 3.86Å; F629-F655 HydrophobicContact CE2-CD1 4.48Å; F629-F655 HydrophobicContact CE2-CG 4.38Å; F629-F655 HydrophobicContact CZ-CB 3.86Å; F629-F655 AromaticContact CZ-CD1 3.63Å; F629-F655 HydrophobicContact CZ-CD1 3.63Å; F629-F655 HydrophobicContact CZ-CE1 4.44Å; F629-F655 AromaticContact CZ-CG 3.94Å; F629-F655 HydrophobicContact CZ-CG 3.94Å; T631-F655 HydrophobicContact CG2-CD1 3.99Å; T631-F655 HydrophobicContact CG2-CE1 3.96Å; F653-F655 HydrophobicContact CB-CD1 4.06Å; F653-F655 HydrophobicContact CB-CE1 3.54Å; F653-F655 HydrophobicContact CB-CE2 4.48Å; F653-F655 HydrophobicContact CB-CZ 3.79Å; F653-F655 HydrophobicContact CD2-CE1 4.34Å; F653-F655 HydrophobicContact CD2-CZ 4.13Å; F653-F655 HydrophobicContact CG-CE1 4.04Å; F653-F655 HydrophobicContact CG-CZ 4.23Å; F655-P657 VanDerWaalsContact C-CD 3.42Å; F655-P657 WeakPolarHBondContact O-CD 2.82Å; F655-H708 HydrophobicContact CZ-CB 4.42Å; F655-H710 AromaticContact CD2-CE1 3.98Å; F655-H710 AromaticContact CE1-CE1 3.88Å; F655-H710 AromaticContact CE2-CE1 3.8Å; F655-H710 AromaticContact CZ-CE1 3.75Å
656	Y	86.4	Confident	67	Low	48 Å²	48	65.3 Å²	65.3	19%	0.188	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	84	175.7	-74.1	-83.8	0	0	0	111.8	F629 D630 V632 L654 T658	F629-Y656 WeakPolarHBondContact CA-O 3.4Å; D630-Y656 PolarHBondContact N-O 2.95Å; D630-Y656 WeakPolarHBondContact O-CB 3.31Å; D630-Y656 PolarHBondContact O-N 3.09Å; V632-Y656 HydrophobicContact CB-CE2 4.43Å; V632-Y656 HydrophobicContact CG2-CD2 4.2Å; V632-Y656 HydrophobicContact CG2-CE2 3.87Å; L654-Y656 HydrophobicContact CD1-CE2 4.43Å; L654-Y656 HydrophobicContact CD2-CD2 4.43Å; L654-Y656 HydrophobicContact CD2-CE1 4.49Å; L654-Y656 HydrophobicContact CD2-CE2 3.47Å; L654-Y656 VanDerWaalsContact CD2-CE2 3.47Å; L654-Y656 WeakPolarHBondContact CD2-OH 3.47Å; L654-Y656 HydrophobicContact CG-CD2 3.99Å; L654-Y656 HydrophobicContact CG-CE2 3.51Å; Y656-T658 PolarHBondContact O-N 2.97Å
657	P	73	Confident	64.3	Low	31 Å²	31	68.9 Å²	68.9	20%	0.201	40%	0.395	C	S	.	.			trans	-82	59	173.2	35.6	-36.9	0	0	0	112	Y284 F629 F655 M712	Y284-P657 HydrophobicContact CD1-CB 4.25Å; Y284-P657 HydrophobicContact CD1-CG 4.13Å; Y284-P657 HydrophobicContact CD2-CB 3.92Å; Y284-P657 HydrophobicContact CE1-CB 4.16Å; Y284-P657 HydrophobicContact CE1-CG 3.95Å; Y284-P657 HydrophobicContact CE2-CB 3.85Å; Y284-P657 HydrophobicContact CG-CB 4.12Å; Y284-P657 HydrophobicContact CG-CG 4.46Å; F629-P657 HydrophobicContact CD2-CB 4.17Å; F629-P657 HydrophobicContact CE2-CB 4.44Å; F655-P657 VanDerWaalsContact C-CD 3.42Å; F655-P657 WeakPolarHBondContact O-CD 2.82Å; P657-M712 HydrophobicContact CB-CE 3.86Å
658	T	64.9	Low	61.4	Low	98 Å²	98	70.7 Å²	70.7	60%	0.601	40%	0.403	S	S	*	.	S	Bend	trans	-163.3	142	165	31	0	0	0	0	111.9	Y656 K660	Y656-T658 PolarHBondContact O-N 2.97Å; T658-K660 PolarHBondContact O-N 3.26Å
659	G	50.3	Low	58.7	Low	51 Å²	51	74.7 Å²	74.7	53%	0.526	43%	0.427	S	S	.	.	S	Bend	trans	-71	23.9	-173.4	0	0	0	0	0	118	V627	V627-G659 VanDerWaalsContact O-CA 3.31Å; V627-G659 WeakPolarHBondContact O-CA 3.24Å
660	K	42.2	Very low	55.9	Low	180 Å²	180	82.5 Å²	82.5	78%	0.783	45%	0.445	S	S	*	.			trans	-104.7	79	168.7	-72.8	-174.6	179.8	179.2	0	109.2	T658 T662	T658-K660 PolarHBondContact O-N 3.26Å; K660-T662 PolarHBondContact O-N 2.96Å
661	S	38.6	Very low	53	Low	68 Å²	68	88.4 Å²	88.4	48%	0.476	47%	0.468	S	S	.	.			trans	-57.5	98.6	173.2	177.1	0	0	0	0	110.6	S663	S661-S663 PolarHBondContact O-N 3.05Å
662	T	34.5	Very low	50	Low	85 Å²	85	94.9 Å²	94.9	52%	0.521	49%	0.489	S	S	.	.			trans	-74.7	122.4	173.4	46.8	0	0	0	0	110.2	K660	K660-T662 PolarHBondContact O-N 2.96Å
663	S	33.7	Very low	46.9	Very low	74 Å²	74	103.4 Å²	103.4	52%	0.517	53%	0.526	S	S	.	.			trans	66.5	124.8	-177.4	74.9	0	0	0	0	116.2	S661 I665	S661-S663 PolarHBondContact O-N 3.05Å; S663-I665 VanDerWaalsContact C-N 3.35Å; S663-I665 PolarHBondContact O-N 3.32Å
664	P	32.8	Very low	43.9	Very low	125 Å²	125	111.6 Å²	111.6	81%	0.812	57%	0.569	S	S	*	*			trans	-73.6	96.2	149.3	31.3	-26.6	0	0	0	106.6	P666	P664-P666 VanDerWaalsContact O-CD 3.31Å; P664-P666 WeakPolarHBondContact O-CD 3.44Å; P664-P666 VanDerWaalsContact O-N 3.12Å
665	I	33.8	Very low	40.8	Very low	106 Å²	106	119 Å²	119	54%	0.544	60%	0.603	S	S	.	*			trans	-56.5	120.8	166.9	-60.1	175.6	0	0	0	106.1	S663 Y667	S663-I665 VanDerWaalsContact C-N 3.35Å; S663-I665 PolarHBondContact O-N 3.32Å; I665-Y667 PolarHBondContact O-N 2.78Å
666	P	28.7	Very low	37.9	Very low	115 Å²	115	123 Å²	123	75%	0.747	63%	0.628	S	S	*	*			trans	-66.3	103.2	177.3	26.4	-32	0	0	0	107.2	P664 K668	P664-P666 VanDerWaalsContact O-CD 3.31Å; P664-P666 WeakPolarHBondContact O-CD 3.44Å; P664-P666 VanDerWaalsContact O-N 3.12Å; P666-K668 PolarHBondContact O-N 3.35Å
667	Y	32.3	Very low	35.2	Very low	140 Å²	140	123.1 Å²	123.1	55%	0.549	64%	0.638	S	S	.	*			trans	-60.8	103.6	175.4	-113.5	-97.1	0	0	0	107.5	K578 I665 T669	K578-Y667 HydrophobicContact CG-CE2 4.15Å; I665-Y667 PolarHBondContact O-N 2.78Å; Y667-T669 PolarHBondContact O-N 3.03Å
668	K	27.7	Very low	33.5	Very low	191 Å²	191	131.7 Å²	131.7	83%	0.83	67%	0.667	S	S	*	*			trans	-57	113.7	162	-76.8	-173.8	177.1	-179.7	0	105.6	P666 R670	P666-K668 PolarHBondContact O-N 3.35Å; K668-R670 VanDerWaalsContact C-N 3.28Å; K668-R670 PolarHBondContact O-N 3.19Å
669	T	27.1	Very low	32.3	Very low	114 Å²	114	133.6 Å²	133.6	70%	0.699	67%	0.669	S	S	*	*			trans	-59.3	92.3	175.7	34.9	0	0	0	0	108.7	Y667 K671	Y667-T669 PolarHBondContact O-N 3.03Å; T669-K671 PolarHBondContact O-N 3.48Å
670	R	27.4	Very low	32.3	Very low	199 Å²	199	135 Å²	135	75%	0.751	66%	0.664	S	S	*	*			trans	-59.9	97.3	161.7	-82	-171.6	174.5	-178.6	3.4	105.1	K668 Y672 D680	K668-R670 VanDerWaalsContact C-N 3.28Å; K668-R670 PolarHBondContact O-N 3.19Å; R670-Y672 PolarHBondContact O-N 3.4Å; R670-Y672 VanDerWaalsContact O-N 3.12Å; R670-D680 IonicContact NH1-OD1 3.68Å; R670-D680 PolarHBondContact NH1-OD1 3.26Å; R670-D680 IonicContact NH1-OD2 3.49Å
671	K	27.2	Very low	33.7	Very low	194 Å²	194	129 Å²	129	84%	0.843	64%	0.637	S	S	*	*			trans	-39.8	122.2	175.1	-77.8	-178	174.8	178.2	0	107.8	T669 K673	T669-K671 PolarHBondContact O-N 3.48Å; K671-K673 VanDerWaalsContact C-N 3.31Å; K671-K673 PolarHBondContact O-N 3.05Å
672	Y	27	Very low	35.8	Very low	173 Å²	173	127.9 Å²	127.9	68%	0.678	63%	0.625	S	S	*	*			trans	-43.6	90.5	-175.1	-77.6	-94.3	0	0	0	111.8	L552 R670 L674	L552-Y672 PolarHBondContact O-OH 3.28Å; R670-Y672 PolarHBondContact O-N 3.4Å; R670-Y672 VanDerWaalsContact O-N 3.12Å; Y672-L674 PolarHBondContact O-N 3.03Å
673	K	23.7	Very low	38.3	Very low	180 Å²	180	124.1 Å²	124.1	78%	0.783	60%	0.602	S	S	*	*			trans	-84.4	111.6	165.1	-98	-177.6	174.4	175.9	0	104.8	K671 H675	K671-K673 VanDerWaalsContact C-N 3.31Å; K671-K673 PolarHBondContact O-N 3.05Å; K673-H675 PolarHBondContact O-N 3.03Å
674	L	28.3	Very low	40.9	Very low	172 Å²	172	120.6 Å²	120.6	90%	0.901	58%	0.578	S	S	*	*	S	Bend	trans	-70.1	46.2	173.1	-155.3	86.3	0	0	0	111.4	Y672	Y672-L674 PolarHBondContact O-N 3.03Å
675	H	26.8	Very low	43.8	Very low	154 Å²	154	114.7 Å²	114.7	71%	0.713	54%	0.539	S	S	*	.			trans	-150.6	71.6	-176.3	-76.4	-50.6	0	0	0	106.1	K673 A677	K673-H675 PolarHBondContact O-N 3.03Å; H675-A677 PolarHBondContact O-N 2.82Å
676	V	29.9	Very low	46.5	Very low	85 Å²	85	110.9 Å²	110.9	52%	0.515	52%	0.519	S	S	.	.			trans	-52	114.3	165.8	172.6	0	0	0	0	107	Y681	V676-Y681 HydrophobicContact CB-CE2 4.46Å; V676-Y681 HydrophobicContact CG1-CD2 4.03Å; V676-Y681 HydrophobicContact CG1-CE2 3.5Å; V676-Y681 VanDerWaalsContact CG1-CE2 3.5Å; V676-Y681 HydrophobicContact CG2-CE2 4.09Å
677	A	29.9	Very low	49.6	Very low	50 Å²	50	105.5 Å²	105.5	41%	0.413	49%	0.485	S	S	.	.			trans	-67.8	147.9	171.4	0	0	0	0	0	108	H675 H679 D680	H675-A677 PolarHBondContact O-N 2.82Å; A677-H679 PolarHBondContact O-N 3.42Å; A677-D680 PolarHBondContact O-N 3Å
678	R	37.6	Very low	52.6	Low	211 Å²	211	99.5 Å²	99.5	80%	0.796	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-1.5	-174.7	-95.1	-179.9	168.7	178.7	-8.5	116.6
679	H	38.3	Very low	55.8	Low	139 Å²	139	91 Å²	91	64%	0.644	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.2	-4.1	-166.9	-55.3	78	0	0	0	114.1	A677 Y681 L682	A677-H679 PolarHBondContact O-N 3.42Å; H679-Y681 VanDerWaalsContact C-N 3.32Å; H679-Y681 PolarHBondContact O-N 2.78Å; H679-L682 WeakPolarHBondContact O-CG 3.09Å
680	D	50.8	Low	59	Low	81 Å²	81	85.9 Å²	85.9	43%	0.433	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-4.3	-169.3	-76.3	-44.2	0	0	0	115	R670 A677	R670-D680 IonicContact NH1-OD1 3.68Å; R670-D680 PolarHBondContact NH1-OD1 3.26Å; R670-D680 IonicContact NH1-OD2 3.49Å; A677-D680 PolarHBondContact O-N 3Å
681	Y	72.4	Confident	62	Low	54 Å²	54	76.5 Å²	76.5	21%	0.212	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	28.2	-176.2	-57	-47.6	0	0	0	115.2	F319 E579 Y598 V676 H679 A683 G684 E705	F319-Y681 HydrophobicContact CZ-CD2 4.45Å; E579-Y681 HydrophobicContact CG-CE1 4.12Å; Y598-Y681 WeakPolarHBondContact O-CD1 3.44Å; V676-Y681 HydrophobicContact CB-CE2 4.46Å; V676-Y681 HydrophobicContact CG1-CD2 4.03Å; V676-Y681 HydrophobicContact CG1-CE2 3.5Å; V676-Y681 VanDerWaalsContact CG1-CE2 3.5Å; V676-Y681 HydrophobicContact CG2-CE2 4.09Å; H679-Y681 VanDerWaalsContact C-N 3.32Å; H679-Y681 PolarHBondContact O-N 2.78Å; Y681-A683 PolarHBondContact O-N 3.45Å; Y681-G684 PolarHBondContact O-N 3.42Å; Y681-E705 WeakPolarHBondContact O-CB 3.38Å
682	L	81.9	Confident	64.5	Low	44 Å²	44	69 Å²	69	23%	0.23	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-20.8	178.8	-70.5	171.1	0	0	0	114.9	F260 V651 F653 H679 S706	F260-L682 HydrophobicContact CZ-CD2 4.24Å; V651-L682 HydrophobicContact CG1-CD1 4.2Å; F653-L682 HydrophobicContact CE1-CB 3.98Å; F653-L682 HydrophobicContact CZ-CB 4.01Å; F653-L682 WeakPolarHBondContact CZ-O 3.31Å; H679-L682 WeakPolarHBondContact O-CG 3.09Å; L682-S706 PolarHBondContact O-N 3.45Å
683	A	86.3	Confident	67.2	Low	5 Å²	5	61.3 Å²	61.3	4%	0.041	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-3.1	-179	0	0	0	0	0	114.9	G600 T631 V633 F653 Y681	G600-A683 WeakPolarHBondContact CA-O 3.26Å; G600-A683 PolarHBondContact N-O 3.26Å; T631-A683 HydrophobicContact CG2-CB 3.61Å; V633-A683 HydrophobicContact CG2-CB 4.09Å; F653-A683 HydrophobicContact CE1-CB 4.31Å; Y681-A683 PolarHBondContact O-N 3.45Å
684	G	89.8	Confident	69.9	Low	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.296	C	S	.	.			trans	-62	141.4	-169.3	0	0	0	0	0	114.4	Y598 Y681 G704 E705	Y598-G684 VanDerWaalsContact O-CA 3.24Å; Y598-G684 WeakPolarHBondContact O-CA 3.03Å; Y598-G684 PolarHBondContact O-N 3.14Å; Y681-G684 PolarHBondContact O-N 3.42Å; G684-G704 VanDerWaalsContact O-CA 3.25Å; G684-G704 WeakPolarHBondContact O-CA 3.37Å; G684-E705 PolarHBondContact O-N 3.45Å
685	L	93	Very high	72.5	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	27%	0.265	C	S	.	.			trans	-107.9	82.8	-173.3	-60.2	-179.7	0	0	0	112.7	C582 D597 L602 F629 F702 G703	C582-L685 PolarHBondContact SG-O 3.18Å; D597-L685 PolarHBondContact O-N 3.46Å; D597-L685 VanDerWaalsContact O-N 3.16Å; L602-L685 HydrophobicContact CB-CD1 4.23Å; L602-L685 HydrophobicContact CD1-CD1 4.01Å; F629-L685 HydrophobicContact CD1-CD1 4.36Å; L685-F702 HydrophobicContact CD1-CD2 3.98Å; L685-F702 HydrophobicContact CD1-CE2 4.35Å; L685-F702 HydrophobicContact CD2-CD2 4.01Å; L685-G703 CarbonylContact C-O 3.58Å
686	F	90.6	Very high	75.4	Confident	26 Å²	26	44.8 Å²	44.8	11%	0.114	23%	0.231	C	C	.	.			trans	-75.6	-34.3	-173.5	-45.6	-48.4	0	0	0	113.8	R292 I293 S583 Y598 G703 E705	R292-F686 HydrophobicContact CG-CD2 4.39Å; R292-F686 HydrophobicContact CG-CE2 4.18Å; R292-F686 VanDerWaalsContact CZ-CE2 3.44Å; R292-F686 VanDerWaalsContact NE-CE2 3.28Å; R292-F686 VanDerWaalsContact NH2-CZ 3.29Å; I293-F686 WeakPolarHBondContact O-CD2 3.37Å; S583-F686 WeakPolarHBondContact CB-O 3.38Å; S583-F686 PolarHBondContact OG-O 3.29Å; Y598-F686 HydrophobicContact CD1-CD1 4.43Å; Y598-F686 AromaticContact CD1-CE1 3.79Å; Y598-F686 HydrophobicContact CD1-CE1 3.79Å; Y598-F686 HydrophobicContact CE1-CD1 4.33Å; Y598-F686 AromaticContact CE1-CE1 3.99Å; Y598-F686 HydrophobicContact CE1-CE1 3.99Å; F686-G703 PolarHBondContact N-O 2.9Å; F686-G703 VanDerWaalsContact N-O 3.1Å; F686-E705 HydrophobicContact CE2-CB 3.75Å; F686-E705 VanDerWaalsContact CE2-N 3.31Å; F686-E705 WeakPolarHBondContact CE2-OE2 3.27Å; F686-E705 HydrophobicContact CZ-CB 3.94Å; F686-E705 WeakPolarHBondContact CZ-OE2 3.23Å
687	G	92.9	Very high	78.1	Confident	3 Å²	3	41.6 Å²	41.6	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	131.8	-179.9	0	0	0	0	0	112.1	F702 G703	G687-F702 CarbonylContact O-C 3.45Å; G687-F702 WeakPolarHBondContact O-CA 3.37Å; G687-F702 WeakPolarHBondContact O-CB 3.41Å; G687-G703 PolarHBondContact N-O 3.31Å; G687-G703 PolarHBondContact O-N 3.04Å
688	I	96.3	Very high	81	Confident	13 Å²	13	41.1 Å²	41.1	7%	0.067	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	133.3	170.8	-51.7	169.2	0	0	0	108	S583 A585 V594 G596 L602 C701 F702	S583-I688 WeakPolarHBondContact O-CD1 3.41Å; A585-I688 HydrophobicContact CB-CB 4.19Å; A585-I688 HydrophobicContact CB-CG2 3.74Å; V594-I688 HydrophobicContact CG1-CG2 4.11Å; G596-I688 VanDerWaalsContact N-CD1 3.26Å; L602-I688 HydrophobicContact CD1-CD1 3.68Å; L602-I688 HydrophobicContact CD1-CG1 4.17Å; I688-C701 WeakPolarHBondContact CA-O 3.4Å; I688-F702 HydrophobicContact CG1-CB 4.14Å; I688-F702 HydrophobicContact CG2-CB 4.5Å
689	A	95.7	Very high	83.6	Confident	12 Å²	12	31.8 Å²	31.8	10%	0.099	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	149.4	167.4	0	0	0	0	0	110.8	L296 W298 C701	L296-A689 HydrophobicContact CD1-CB 3.55Å; W298-A689 HydrophobicContact CB-CB 4.06Å; A689-C701 PolarHBondContact N-O 2.71Å; A689-C701 PolarHBondContact O-N 2.77Å; A689-C701 VanDerWaalsContact O-O 3.11Å; A689-C701 PolarHBondContact O-SG 3.32Å
690	C	93.8	Very high	86.3	Confident	8 Å²	8	25.1 Å²	25.1	5%	0.054	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	152.2	-180	-59.4	0	0	0	0	110.8	L586 L587 I692 I700	L586-C690 VanDerWaalsContact C-SG 3.56Å; L586-C690 WeakPolarHBondContact O-CB 3.32Å; L586-C690 PolarHBondContact O-SG 2.77Å; L587-C690 HydrophobicContact CB-CB 4.24Å; L587-C690 HydrophobicContact CD1-CB 3.82Å; C690-I692 PolarHBondContact O-N 3.47Å; C690-I700 HydrophobicContact CB-CG2 4.24Å
691	G	89.5	Confident	88.5	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.01	12%	0.118	C	C	.	.			trans	-64.2	123.1	172.9	0	0	0	0	0	111.4	A696 W699	G691-A696 WeakPolarHBondContact CA-O 3.37Å; G691-W699 PolarHBondContact N-O 3.08Å
692	I	80.4	Confident	89.7	Confident	36 Å²	36	18.7 Å²	18.7	19%	0.185	11%	0.108	C	C	.	.			trans	-107.5	-5.8	-177.8	55.2	178.9	0	0	0	113.4	F218 R222 P300 C690	F218-I692 HydrophobicContact CZ-CB 4.49Å; F218-I692 HydrophobicContact CZ-CG2 4.3Å; R222-I692 PolarHBondContact NH1-O 3.24Å; P300-I692 HydrophobicContact CB-CD1 3.65Å; P300-I692 HydrophobicContact CG-CD1 4.19Å; C690-I692 PolarHBondContact O-N 3.47Å
693	N	83.1	Confident	90.3	Very high	13 Å²	13	16.6 Å²	16.6	7%	0.07	10%	0.097	C	C	.	.	S	Bend	trans	-104.8	153.1	178.4	-69.7	-19.8	0	0	0	110	R222 S301 Q307 N695 A696 A697	R222-N693 PolarHBondContact NH1-OD1 3.08Å; R222-N693 PolarHBondContact NH2-OD1 3.18Å; R222-N693 VanDerWaalsContact NH2-OD1 3.16Å; S301-N693 PolarHBondContact O-ND2 3.03Å; S301-N693 PolarHBondContact O-OD1 2.94Å; S301-N693 PolarHBondContact OG-ND2 2.59Å; Q307-N693 PolarHBondContact OE1-ND2 3.41Å; N693-N695 PolarHBondContact O-N 3.14Å; N693-A696 CarbonylContact O-C 3.5Å; N693-A696 PolarHBondContact O-N 3.05Å; N693-A697 WeakPolarHBondContact O-CA 3.3Å; N693-A697 PolarHBondContact O-N 3.15Å
694	T	79.9	Confident	90.6	Very high	112 Å²	112	16.4 Å²	16.4	69%	0.687	10%	0.095	S	C	*	.	G	3₁₀ helix	trans	-64.7	-34.5	-165.6	46.5	0	0	0	0	114.6	Y219 A696	Y219-T694 HydrophobicContact CD1-CG2 4.43Å; Y219-T694 HydrophobicContact CE1-CG2 3.86Å; T694-A696 VanDerWaalsContact C-N 3.32Å
695	N	83.9	Confident	90.6	Very high	46 Å²	46	18.4 Å²	18.4	25%	0.246	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-71.8	-22.3	178	62.9	-24.7	0	0	0	114	S304 E305 Q307 P337 N693	S304-N695 WeakPolarHBondContact O-CB 3.3Å; S304-N695 PolarHBondContact O-ND2 3.06Å; E305-N695 PolarHBondContact O-ND2 2.74Å; Q307-N695 VanDerWaalsContact CD-OD1 3.29Å; Q307-N695 PolarHBondContact NE2-ND2 3.04Å; Q307-N695 PolarHBondContact NE2-OD1 2.81Å; P337-N695 HydrophobicContact CG-CB 4.41Å; P337-N695 WeakPolarHBondContact CG-O 3.35Å; N693-N695 PolarHBondContact O-N 3.14Å
696	A	87.7	Confident	90.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-120.5	20.2	-179.6	0	0	0	0	0	112.2	W298 Q307 P337 G691 N693 T694 D698 W699	W298-A696 HydrophobicContact CH2-CB 4.26Å; W298-A696 HydrophobicContact CZ2-CB 3.64Å; Q307-A696 HydrophobicContact CG-CB 3.9Å; P337-A696 HydrophobicContact CG-CB 4.27Å; G691-A696 WeakPolarHBondContact CA-O 3.37Å; N693-A696 CarbonylContact O-C 3.5Å; N693-A696 PolarHBondContact O-N 3.05Å; T694-A696 VanDerWaalsContact C-N 3.32Å; A696-D698 PolarHBondContact O-N 3.45Å; A696-D698 VanDerWaalsContact O-N 3.11Å; A696-W699 HydrophobicContact CB-CB 4.32Å; A696-W699 WeakPolarHBondContact O-CB 3.38Å; A696-W699 PolarHBondContact O-N 3.34Å
697	A	87.2	Confident	90.4	Very high	18 Å²	18	17.5 Å²	17.5	15%	0.149	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.9	-166.6	0	0	0	0	0	114.6	Y219 L587 S589 N693	Y219-A697 WeakPolarHBondContact OH-CB 3.38Å; L587-A697 VanDerWaalsContact CD1-O 3.24Å; L587-A697 WeakPolarHBondContact CD1-O 3.32Å; S589-A697 WeakPolarHBondContact CB-O 3.42Å; S589-A697 PolarHBondContact OG-O 3Å; N693-A697 WeakPolarHBondContact O-CA 3.3Å; N693-A697 PolarHBondContact O-N 3.15Å
698	D	89.5	Confident	90.4	Very high	41 Å²	41	17.3 Å²	17.3	22%	0.219	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	0.5	177.4	-82.8	-1.1	0	0	0	113.7	S589 K590 A696 L714 S715	S589-D698 WeakPolarHBondContact CB-OD1 3.37Å; S589-D698 PolarHBondContact OG-OD1 3.41Å; K590-D698 WeakPolarHBondContact CE-OD1 3.48Å; K590-D698 WeakPolarHBondContact CE-OD2 3.36Å; K590-D698 IonicContact NZ-OD2 3.69Å; K590-D698 PolarHBondContact NZ-OD2 2.63Å; A696-D698 PolarHBondContact O-N 3.45Å; A696-D698 VanDerWaalsContact O-N 3.11Å; D698-L714 WeakPolarHBondContact O-CB 3.43Å; D698-L714 PolarHBondContact O-N 3.35Å; D698-S715 WeakPolarHBondContact OD2-CA 3.43Å
699	W	92.7	Very high	90.4	Very high	14 Å²	14	16.7 Å²	16.7	5%	0.053	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	148.4	176.7	-72.3	78.4	0	0	0	111.5	W298 F335 P337 P346 G691 A696 F711 M712 D713	W298-W699 HydrophobicContact CH2-CB 3.92Å; F335-W699 HydrophobicContact CE1-CB 4.37Å; F335-W699 AromaticContact CE1-CD2 3.77Å; F335-W699 HydrophobicContact CE1-CD2 3.77Å; F335-W699 AromaticContact CE1-CE3 3.95Å; F335-W699 HydrophobicContact CE1-CE3 3.95Å; F335-W699 AromaticContact CE1-CG 3.97Å; F335-W699 HydrophobicContact CE1-CG 3.97Å; F335-W699 HydrophobicContact CE2-CE3 4.21Å; F335-W699 HydrophobicContact CE2-CH2 4.44Å; F335-W699 HydrophobicContact CE2-CZ3 4.09Å; F335-W699 AromaticContact CZ-CD2 3.51Å; F335-W699 HydrophobicContact CZ-CD2 3.51Å; F335-W699 AromaticContact CZ-CE2 3.81Å; F335-W699 AromaticContact CZ-CE3 3.37Å; F335-W699 HydrophobicContact CZ-CE3 3.37Å; F335-W699 HydrophobicContact CZ-CG 4.21Å; F335-W699 AromaticContact CZ-CH2 3.88Å; F335-W699 HydrophobicContact CZ-CH2 3.88Å; F335-W699 AromaticContact CZ-CZ2 3.99Å; F335-W699 HydrophobicContact CZ-CZ2 3.99Å; F335-W699 AromaticContact CZ-CZ3 3.57Å; F335-W699 HydrophobicContact CZ-CZ3 3.57Å; P337-W699 HydrophobicContact CB-CZ2 4.49Å; P346-W699 HydrophobicContact CB-CH2 4.31Å; P346-W699 HydrophobicContact CG-CH2 3.98Å; G691-W699 PolarHBondContact N-O 3.08Å; A696-W699 HydrophobicContact CB-CB 4.32Å; A696-W699 WeakPolarHBondContact O-CB 3.38Å; A696-W699 PolarHBondContact O-N 3.34Å; W699-F711 HydrophobicContact CE3-CB 4.21Å; W699-F711 HydrophobicContact CZ3-CB 4.28Å; W699-M712 CarbonylContact C-O 3.54Å; W699-M712 WeakPolarHBondContact CA-O 3.3Å; W699-D713 HydrophobicContact CD2-CB 3.89Å; W699-D713 HydrophobicContact CE3-CB 4.11Å; W699-D713 HydrophobicContact CH2-CB 3.93Å; W699-D713 HydrophobicContact CZ2-CB 3.7Å; W699-D713 HydrophobicContact CZ3-CB 4.13Å
700	I	95.3	Very high	90.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	155.7	170.3	60.5	160.9	0	0	0	110.1	L587 V594 L602 I628 C690 F702 F711 M712 L714	L587-I700 HydrophobicContact CD1-CG2 4.07Å; V594-I700 HydrophobicContact CG1-CD1 4.14Å; V594-I700 HydrophobicContact CG2-CG2 4.43Å; L602-I700 HydrophobicContact CD2-CD1 3.58Å; I628-I700 HydrophobicContact CD1-CD1 3.71Å; C690-I700 HydrophobicContact CB-CG2 4.24Å; I700-F702 HydrophobicContact CD1-CD1 4.03Å; I700-F702 HydrophobicContact CD1-CE1 4.11Å; I700-F702 HydrophobicContact CG1-CD1 4.45Å; I700-F711 CarbonylContact O-C 3.57Å; I700-F711 VanDerWaalsContact O-CA 3.29Å; I700-F711 WeakPolarHBondContact O-CA 3.48Å; I700-M712 HydrophobicContact CG1-CB 4.03Å; I700-M712 WeakPolarHBondContact CG1-O 3.49Å; I700-M712 PolarHBondContact N-O 3.01Å; I700-M712 PolarHBondContact O-N 2.7Å; I700-L714 HydrophobicContact CD1-CD1 4Å; I700-L714 HydrophobicContact CD1-CG 4.43Å; I700-L714 HydrophobicContact CG1-CD1 4.14Å; I700-L714 HydrophobicContact CG1-CG 4.28Å; I700-L714 HydrophobicContact CG2-CD1 3.84Å
701	C	96.6	Very high	90.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145.2	169.8	69.6	0	0	0	0	111.1	W298 I688 A689 H710 F711	W298-C701 HydrophobicContact CE3-CB 4.2Å; W298-C701 VanDerWaalsContact CE3-SG 3.51Å; W298-C701 HydrophobicContact CZ3-CB 3.87Å; I688-C701 WeakPolarHBondContact CA-O 3.4Å; A689-C701 PolarHBondContact N-O 2.71Å; A689-C701 PolarHBondContact O-N 2.77Å; A689-C701 VanDerWaalsContact O-O 3.11Å; A689-C701 PolarHBondContact O-SG 3.32Å; C701-H710 CarbonylContact C-O 3.57Å; C701-H710 WeakPolarHBondContact CA-O 3.49Å; C701-H710 WeakPolarHBondContact CB-O 3.22Å; C701-F711 HydrophobicContact CB-CD1 3.76Å; C701-F711 HydrophobicContact CB-CD2 4.34Å; C701-F711 HydrophobicContact CB-CE1 3.69Å; C701-F711 HydrophobicContact CB-CE2 4.29Å; C701-F711 HydrophobicContact CB-CG 4.09Å; C701-F711 HydrophobicContact CB-CZ 3.97Å
702	F	97.3	Very high	90.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	157.7	-177.6	57.1	-87.8	0	0	0	112	L602 F629 L685 G687 I688 I700 H710 M712	L602-F702 HydrophobicContact CD2-CD1 3.56Å; L602-F702 HydrophobicContact CD2-CD2 4.41Å; L602-F702 HydrophobicContact CD2-CE1 3.6Å; L602-F702 HydrophobicContact CD2-CE2 4.44Å; L602-F702 HydrophobicContact CD2-CG 3.99Å; L602-F702 HydrophobicContact CD2-CZ 4.05Å; F629-F702 HydrophobicContact CB-CZ 4.09Å; F629-F702 AromaticContact CD1-CE2 3.54Å; F629-F702 HydrophobicContact CD1-CE2 3.54Å; F629-F702 AromaticContact CD1-CZ 3.84Å; F629-F702 HydrophobicContact CD1-CZ 3.84Å; F629-F702 HydrophobicContact CD2-CE2 4.33Å; F629-F702 AromaticContact CD2-CZ 3.91Å; F629-F702 HydrophobicContact CD2-CZ 3.91Å; F629-F702 AromaticContact CE1-CE2 3.59Å; F629-F702 HydrophobicContact CE1-CE2 3.59Å; F629-F702 HydrophobicContact CE1-CZ 4.16Å; F629-F702 HydrophobicContact CE2-CE2 4.38Å; F629-F702 HydrophobicContact CE2-CZ 4.23Å; F629-F702 AromaticContact CG-CE2 3.91Å; F629-F702 HydrophobicContact CG-CE2 3.91Å; F629-F702 AromaticContact CG-CZ 3.69Å; F629-F702 HydrophobicContact CG-CZ 3.69Å; F629-F702 HydrophobicContact CZ-CE2 4.02Å; F629-F702 HydrophobicContact CZ-CZ 4.33Å; L685-F702 HydrophobicContact CD1-CD2 3.98Å; L685-F702 HydrophobicContact CD1-CE2 4.35Å; L685-F702 HydrophobicContact CD2-CD2 4.01Å; G687-F702 CarbonylContact O-C 3.45Å; G687-F702 WeakPolarHBondContact O-CA 3.37Å; G687-F702 WeakPolarHBondContact O-CB 3.41Å; I688-F702 HydrophobicContact CG1-CB 4.14Å; I688-F702 HydrophobicContact CG2-CB 4.5Å; I700-F702 HydrophobicContact CD1-CD1 4.03Å; I700-F702 HydrophobicContact CD1-CE1 4.11Å; I700-F702 HydrophobicContact CG1-CD1 4.45Å; F702-H710 HydrophobicContact CD1-CB 4.14Å; F702-H710 HydrophobicContact CD2-CB 3.78Å; F702-H710 AromaticContact CD2-CD2 3.98Å; F702-H710 HydrophobicContact CE1-CB 3.79Å; F702-H710 HydrophobicContact CE2-CB 3.39Å; F702-H710 AromaticContact CE2-CD2 3.75Å; F702-H710 AromaticContact CE2-CG 3.49Å; F702-H710 VanDerWaalsContact CE2-CG 3.49Å; F702-H710 HydrophobicContact CG-CB 4.14Å; F702-H710 HydrophobicContact CZ-CB 3.4Å; F702-H710 AromaticContact CZ-CG 3.89Å; F702-H710 PolarHBondContact N-O 3.01Å; F702-H710 PolarHBondContact O-N 3.36Å; F702-M712 HydrophobicContact CE1-CB 4.28Å; F702-M712 HydrophobicContact CE1-CE 4.23Å; F702-M712 HydrophobicContact CZ-CE 4.1Å
703	G	95.4	Very high	91.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	172.3	179.6	0	0	0	0	0	112.7	L685 F686 G687 H708	L685-G703 CarbonylContact C-O 3.58Å; F686-G703 PolarHBondContact N-O 2.9Å; F686-G703 VanDerWaalsContact N-O 3.1Å; G687-G703 PolarHBondContact N-O 3.31Å; G687-G703 PolarHBondContact O-N 3.04Å; G703-H708 WeakPolarHBondContact CA-O 3.35Å
704	G	92.4	Very high	91.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.083	C	C	.	.			trans	-175.9	-130.2	179.4	0	0	0	0	0	114.8	I293 G684 S706 G707	I293-G704 PolarHBondContact N-O 3.32Å; I293-G704 WeakPolarHBondContact O-CA 3.33Å; G684-G704 VanDerWaalsContact O-CA 3.25Å; G684-G704 WeakPolarHBondContact O-CA 3.37Å; G704-S706 VanDerWaalsContact C-N 3.3Å; G704-S706 PolarHBondContact O-N 2.96Å; G704-G707 PolarHBondContact O-N 2.89Å; G704-G707 VanDerWaalsContact O-N 3.15Å
705	E	89	Confident	91.5	Very high	42 Å²	42	11.7 Å²	11.7	20%	0.196	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-39.3	-168.8	-161.7	73.4	-148.7	0	0	113	R292 Y681 G684 F686 G707	R292-E705 WeakPolarHBondContact CD-OE2 3.44Å; R292-E705 IonicContact CZ-OE1 2.88Å; R292-E705 IonicContact CZ-OE2 3.63Å; R292-E705 IonicContact NE-OE2 3.1Å; R292-E705 PolarHBondContact NE-OE2 3.3Å; R292-E705 IonicContact NH1-OE1 3.48Å; R292-E705 PolarHBondContact NH1-OE1 3.25Å; R292-E705 IonicContact NH1-OE2 2.88Å; R292-E705 PolarHBondContact NH1-OE2 3.01Å; R292-E705 IonicContact NH2-OE2 3.88Å; R292-E705 PolarHBondContact NH2-OE2 3.27Å; Y681-E705 WeakPolarHBondContact O-CB 3.38Å; G684-E705 PolarHBondContact O-N 3.45Å; F686-E705 HydrophobicContact CE2-CB 3.75Å; F686-E705 VanDerWaalsContact CE2-N 3.31Å; F686-E705 WeakPolarHBondContact CE2-OE2 3.27Å; F686-E705 HydrophobicContact CZ-CB 3.94Å; F686-E705 WeakPolarHBondContact CZ-OE2 3.23Å; E705-G707 PolarHBondContact O-N 3.45Å; E705-G707 VanDerWaalsContact O-N 3.13Å
706	S	88.8	Confident	90.6	Very high	8 Å²	8	14 Å²	14	6%	0.056	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-8.2	-177.5	71	0	0	0	0	115	F653 L682 G704 H708	F653-S706 VanDerWaalsContact CE2-CB 3.41Å; L682-S706 PolarHBondContact O-N 3.45Å; G704-S706 VanDerWaalsContact C-N 3.3Å; G704-S706 PolarHBondContact O-N 2.96Å; S706-H708 PolarHBondContact O-N 3.11Å; S706-H708 PolarHBondContact O-ND1 3.26Å; S706-H708 PolarHBondContact OG-N 3.18Å; S706-H708 PolarHBondContact OG-ND1 3.39Å
707	G	91.1	Very high	89.5	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.094	C	C	.	.			trans	67	8.8	-175.3	0	0	0	0	0	115.9	F288 C289 G291 G704 E705	F288-G707 WeakPolarHBondContact CD2-O 3.33Å; C289-G707 PolarHBondContact N-O 3.09Å; G291-G707 WeakPolarHBondContact O-CA 3.39Å; G704-G707 PolarHBondContact O-N 2.89Å; G704-G707 VanDerWaalsContact O-N 3.15Å; E705-G707 PolarHBondContact O-N 3.45Å; E705-G707 VanDerWaalsContact O-N 3.13Å
708	H	93.8	Very high	87.9	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	128.4	173.9	-63.8	78.6	0	0	0	110.2	Y262 I286 G287 I293 F655 G703 S706 H710	Y262-H708 AromaticContact CD1-NE2 3.61Å; Y262-H708 AromaticContact CE1-NE2 3.96Å; I286-H708 HydrophobicContact CG2-CB 4.05Å; G287-H708 WeakPolarHBondContact O-CA 3.31Å; I293-H708 WeakPolarHBondContact CD1-O 3.37Å; F655-H708 HydrophobicContact CZ-CB 4.42Å; G703-H708 WeakPolarHBondContact CA-O 3.35Å; S706-H708 PolarHBondContact O-N 3.11Å; S706-H708 PolarHBondContact O-ND1 3.26Å; S706-H708 PolarHBondContact OG-N 3.18Å; S706-H708 PolarHBondContact OG-ND1 3.39Å; H708-H710 WeakPolarHBondContact CB-NE2 3.48Å; H708-H710 PolarHBondContact O-CD2 3.33Å
709	L	96.5	Very high	86.2	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	108.6	173.5	177.2	66.5	0	0	0	108.7	I286 G287 I293 L296 V311 W333 F711	I286-L709 CarbonylContact C-O 3.56Å; I286-L709 WeakPolarHBondContact CA-O 3.5Å; G287-L709 PolarHBondContact N-O 2.76Å; G287-L709 PolarHBondContact O-N 3.45Å; I293-L709 HydrophobicContact CD1-CB 3.98Å; L296-L709 HydrophobicContact CD2-CD1 4.02Å; V311-L709 HydrophobicContact CG2-CD1 4.32Å; V311-L709 HydrophobicContact CG2-CD2 4.03Å; W333-L709 HydrophobicContact CB-CD2 4.12Å; W333-L709 HydrophobicContact CD2-CD2 3.93Å; W333-L709 HydrophobicContact CG-CD2 3.72Å; L709-F711 HydrophobicContact CD1-CE2 4.42Å; L709-F711 HydrophobicContact CD2-CE2 3.72Å; L709-F711 HydrophobicContact CD2-CZ 4.36Å; L709-F711 HydrophobicContact CG-CD2 4.37Å; L709-F711 HydrophobicContact CG-CE2 3.77Å
710	H	96.3	Very high	83.8	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	142.7	-177.7	-58.3	-99.2	0	0	0	110.4	Y284 C285 F629 F655 C701 F702 H708	Y284-H710 HydrophobicContact CE2-CB 4.35Å; Y284-H710 AromaticContact CZ-ND1 3.73Å; Y284-H710 PolarHBondContact OH-CE1 3.41Å; Y284-H710 PolarHBondContact OH-ND1 3.17Å; C285-H710 CarbonylContact O-C 3.59Å; C285-H710 WeakPolarHBondContact O-CA 3.39Å; F629-H710 AromaticContact CZ-CE1 3.73Å; F629-H710 AromaticContact CZ-ND1 3.86Å; F655-H710 AromaticContact CD2-CE1 3.98Å; F655-H710 AromaticContact CE1-CE1 3.88Å; F655-H710 AromaticContact CE2-CE1 3.8Å; F655-H710 AromaticContact CZ-CE1 3.75Å; C701-H710 CarbonylContact C-O 3.57Å; C701-H710 WeakPolarHBondContact CA-O 3.49Å; C701-H710 WeakPolarHBondContact CB-O 3.22Å; F702-H710 HydrophobicContact CD1-CB 4.14Å; F702-H710 HydrophobicContact CD2-CB 3.78Å; F702-H710 AromaticContact CD2-CD2 3.98Å; F702-H710 HydrophobicContact CE1-CB 3.79Å; F702-H710 HydrophobicContact CE2-CB 3.39Å; F702-H710 AromaticContact CE2-CD2 3.75Å; F702-H710 AromaticContact CE2-CG 3.49Å; F702-H710 VanDerWaalsContact CE2-CG 3.49Å; F702-H710 HydrophobicContact CG-CB 4.14Å; F702-H710 HydrophobicContact CZ-CB 3.4Å; F702-H710 AromaticContact CZ-CG 3.89Å; F702-H710 PolarHBondContact N-O 3.01Å; F702-H710 PolarHBondContact O-N 3.36Å; H708-H710 WeakPolarHBondContact CB-NE2 3.48Å; H708-H710 PolarHBondContact O-CD2 3.33Å
711	F	95.3	Very high	83.2	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.8	165.1	-73.1	-105.6	0	0	0	108.7	Y284 C285 W298 V309 F335 L348 W699 I700 C701 L709	Y284-F711 CarbonylContact C-O 3.58Å; Y284-F711 VanDerWaalsContact CA-O 3.3Å; Y284-F711 WeakPolarHBondContact CA-O 3.33Å; Y284-F711 WeakPolarHBondContact CD2-O 3.36Å; C285-F711 HydrophobicContact CB-CB 4.17Å; C285-F711 PolarHBondContact N-O 2.68Å; C285-F711 PolarHBondContact O-N 3.44Å; W298-F711 AromaticContact CH2-CD1 3.96Å; W298-F711 HydrophobicContact CH2-CD1 3.96Å; W298-F711 AromaticContact CH2-CE1 3.87Å; W298-F711 HydrophobicContact CH2-CE1 3.87Å; W298-F711 HydrophobicContact CZ3-CD1 4.11Å; W298-F711 AromaticContact CZ3-CE1 3.96Å; W298-F711 HydrophobicContact CZ3-CE1 3.96Å; V309-F711 HydrophobicContact CB-CZ 4.08Å; V309-F711 HydrophobicContact CG2-CE1 3.7Å; V309-F711 HydrophobicContact CG2-CZ 3.59Å; F335-F711 HydrophobicContact CB-CD1 4.2Å; F335-F711 HydrophobicContact CB-CE1 3.63Å; F335-F711 HydrophobicContact CB-CZ 3.96Å; F335-F711 AromaticContact CD1-CD1 3.84Å; F335-F711 HydrophobicContact CD1-CD1 3.84Å; F335-F711 AromaticContact CD1-CE1 3.92Å; F335-F711 HydrophobicContact CD1-CE1 3.92Å; F335-F711 HydrophobicContact CD2-CB 4.48Å; F335-F711 AromaticContact CD2-CD1 3.75Å; F335-F711 HydrophobicContact CD2-CD1 3.75Å; F335-F711 HydrophobicContact CD2-CE1 4.06Å; F335-F711 HydrophobicContact CD2-CG 4.04Å; F335-F711 HydrophobicContact CE1-CD1 4.15Å; F335-F711 HydrophobicContact CE2-CB 4.19Å; F335-F711 HydrophobicContact CE2-CD1 4.07Å; F335-F711 HydrophobicContact CE2-CG 4.23Å; F335-F711 AromaticContact CG-CD1 3.63Å; F335-F711 HydrophobicContact CG-CD1 3.63Å; F335-F711 AromaticContact CG-CE1 3.58Å; F335-F711 HydrophobicContact CG-CE1 3.58Å; F335-F711 HydrophobicContact CG-CG 4.38Å; F335-F711 HydrophobicContact CG-CZ 4.28Å; F335-F711 HydrophobicContact CZ-CD1 4.28Å; L348-F711 HydrophobicContact CD1-CD2 3.96Å; L348-F711 HydrophobicContact CD1-CE2 3.43Å; L348-F711 VanDerWaalsContact CD1-CE2 3.43Å; L348-F711 HydrophobicContact CD1-CZ 3.97Å; L348-F711 HydrophobicContact CD2-CD2 3.81Å; L348-F711 HydrophobicContact CD2-CE2 4.01Å; L348-F711 HydrophobicContact CG-CE2 4.39Å; W699-F711 HydrophobicContact CE3-CB 4.21Å; W699-F711 HydrophobicContact CZ3-CB 4.28Å; I700-F711 CarbonylContact O-C 3.57Å; I700-F711 VanDerWaalsContact O-CA 3.29Å; I700-F711 WeakPolarHBondContact O-CA 3.48Å; C701-F711 HydrophobicContact CB-CD1 3.76Å; C701-F711 HydrophobicContact CB-CD2 4.34Å; C701-F711 HydrophobicContact CB-CE1 3.69Å; C701-F711 HydrophobicContact CB-CE2 4.29Å; C701-F711 HydrophobicContact CB-CG 4.09Å; C701-F711 HydrophobicContact CB-CZ 3.97Å; L709-F711 HydrophobicContact CD1-CE2 4.42Å; L709-F711 HydrophobicContact CD2-CE2 3.72Å; L709-F711 HydrophobicContact CD2-CZ 4.36Å; L709-F711 HydrophobicContact CG-CD2 4.37Å; L709-F711 HydrophobicContact CG-CE2 3.77Å
712	M	92.5	Very high	82.5	Confident	4 Å²	4	26.1 Å²	26.1	2%	0.02	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	133.9	-179.4	-173.4	-177.8	-60.2	0	0	111.2	Y284 F629 P657 W699 I700 F702 L714	Y284-M712 HydrophobicContact CD2-CB 4.13Å; Y284-M712 HydrophobicContact CD2-CE 4.05Å; Y284-M712 HydrophobicContact CD2-CG 4.35Å; Y284-M712 HydrophobicContact CE2-CE 4.03Å; F629-M712 HydrophobicContact CB-CE 3.85Å; F629-M712 HydrophobicContact CD2-CE 3.72Å; F629-M712 HydrophobicContact CG-CE 4.18Å; P657-M712 HydrophobicContact CB-CE 3.86Å; W699-M712 CarbonylContact C-O 3.54Å; W699-M712 WeakPolarHBondContact CA-O 3.3Å; I700-M712 HydrophobicContact CG1-CB 4.03Å; I700-M712 WeakPolarHBondContact CG1-O 3.49Å; I700-M712 PolarHBondContact N-O 3.01Å; I700-M712 PolarHBondContact O-N 2.7Å; F702-M712 HydrophobicContact CE1-CB 4.28Å; F702-M712 HydrophobicContact CE1-CE 4.23Å; F702-M712 HydrophobicContact CZ-CE 4.1Å; M712-L714 HydrophobicContact CG-CD2 4.27Å; M712-L714 HydrophobicContact SD-CD2 3.92Å
713	D	90.3	Very high	81.7	Confident	20 Å²	20	27.5 Å²	27.5	11%	0.107	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	126.6	169.6	-174.6	13.4	0	0	0	110.7	S283 W699 S715	S283-D713 PolarHBondContact O-N 2.85Å; W699-D713 HydrophobicContact CD2-CB 3.89Å; W699-D713 HydrophobicContact CE3-CB 4.11Å; W699-D713 HydrophobicContact CH2-CB 3.93Å; W699-D713 HydrophobicContact CZ2-CB 3.7Å; W699-D713 HydrophobicContact CZ3-CB 4.13Å; D713-S715 WeakPolarHBondContact OD1-CB 3.43Å; D713-S715 PolarHBondContact OD1-N 3.44Å; D713-S715 PolarHBondContact OD1-OG 3.02Å; D713-S715 WeakPolarHBondContact OD2-CB 3.37Å; D713-S715 PolarHBondContact OD2-OG 3.5Å
714	L	87.8	Confident	80.8	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.167	C	C	.	.			trans	-100.3	4.9	174.9	-59.9	-179.7	0	0	0	112.9	L587 K590 V594 I628 D698 I700 M712 S716 Q717	L587-L714 HydrophobicContact CD2-CD1 4.03Å; K590-L714 PolarHBondContact NZ-O 3.46Å; V594-L714 HydrophobicContact CG2-CD1 4.47Å; I628-L714 HydrophobicContact CB-CD2 4.42Å; I628-L714 HydrophobicContact CD1-CD1 4.04Å; I628-L714 HydrophobicContact CD1-CD2 3.89Å; D698-L714 WeakPolarHBondContact O-CB 3.43Å; D698-L714 PolarHBondContact O-N 3.35Å; I700-L714 HydrophobicContact CD1-CD1 4Å; I700-L714 HydrophobicContact CD1-CG 4.43Å; I700-L714 HydrophobicContact CG1-CD1 4.14Å; I700-L714 HydrophobicContact CG1-CG 4.28Å; I700-L714 HydrophobicContact CG2-CD1 3.84Å; M712-L714 HydrophobicContact CG-CD2 4.27Å; M712-L714 HydrophobicContact SD-CD2 3.92Å; L714-S716 PolarHBondContact O-N 3.47Å; L714-Q717 HydrophobicContact CD2-CG 4.22Å; L714-Q717 PolarHBondContact O-N 3.02Å
715	S	81.5	Confident	80.1	Confident	51 Å²	51	30.9 Å²	30.9	36%	0.357	18%	0.177	S	C	.	.	S	Bend	trans	-49.9	-55.2	179.3	71	0	0	0	0	112.5	K590 D698 D713 Q717	K590-S715 PolarHBondContact NZ-O 2.93Å; D698-S715 WeakPolarHBondContact OD2-CA 3.43Å; D713-S715 WeakPolarHBondContact OD1-CB 3.43Å; D713-S715 PolarHBondContact OD1-N 3.44Å; D713-S715 PolarHBondContact OD1-OG 3.02Å; D713-S715 WeakPolarHBondContact OD2-CB 3.37Å; D713-S715 PolarHBondContact OD2-OG 3.5Å; S715-Q717 PolarHBondContact O-N 3.36Å
716	S	65.4	Low	79.5	Confident	94 Å²	94	30.2 Å²	30.2	66%	0.657	18%	0.176	S	C	*	.	S	Bend	trans	-75.8	-17.3	-177.7	63.1	0	0	0	0	114.3	L714 K718	L714-S716 PolarHBondContact O-N 3.47Å; S716-K718 PolarHBondContact O-N 3.34Å
717	Q	64.4	Low	78.9	Confident	33 Å²	33	31.8 Å²	31.8	15%	0.154	18%	0.184	C	C	.	.	S	Bend	trans	-76.4	109.9	176.8	-61.1	-152.6	29.1	0	0	109.6	I628 L714 S715 I719	I628-Q717 VanDerWaalsContact CG2-OE1 3.27Å; L714-Q717 HydrophobicContact CD2-CG 4.22Å; L714-Q717 PolarHBondContact O-N 3.02Å; S715-Q717 PolarHBondContact O-N 3.36Å; Q717-I719 PolarHBondContact O-N 3.32Å; Q717-I719 VanDerWaalsContact O-N 3.1Å
718	K	54.3	Low	77.9	Confident	177 Å²	177	34.2 Å²	34.2	77%	0.77	20%	0.198	S	C	*	.			trans	-59.5	115.2	162.8	-69	-171.9	179.4	-175.7	0	107.8	R626 S716	R626-K718 VanDerWaalsContact CD-O 3.23Å; R626-K718 WeakPolarHBondContact CD-O 3.39Å; R626-K718 PolarHBondContact NE-O 3.3Å; R626-K718 PolarHBondContact NH1-O 3.3Å; S716-K718 PolarHBondContact O-N 3.34Å
719	I	53.6	Low	76.6	Confident	31 Å²	31	37.1 Å²	37.1	16%	0.159	22%	0.215	C	C	.	.			trans	-107.2	136	169.2	-58.4	174.7	0	0	0	106	K590 A604 R606 Q717	K590-I719 HydrophobicContact CD-CD1 4.33Å; A604-I719 HydrophobicContact CB-CD1 4.38Å; R606-I719 HydrophobicContact CB-CG2 4.47Å; Q717-I719 PolarHBondContact O-N 3.32Å; Q717-I719 VanDerWaalsContact O-N 3.1Å
720	G	41.5	Very low	74.8	Confident	34 Å²	34	40.5 Å²	40.5	35%	0.351	23%	0.234	S	C	.	.			trans	-74.8	0	-171.4	0	0	0	0	0	114.7	R606 R608	R606-G720 WeakPolarHBondContact CB-O 3.38Å; R606-G720 WeakPolarHBondContact CD-O 3.47Å; R608-G720 PolarHBondContact NH2-OXT 3.29Å

Retrieved 720 of 720 residues in 1004.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).