A0A087X6W5_POEFO Loading...

E3 ubiquitin-protein ligase

AlphaFold DB , UniProt , Accession A0A087X6W5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 636 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.7	Very low	29.2	Very low	241 Å²	241	138.4 Å²	138.4	100%	1.187	84%	0.844	S	S	*	*				0	162.7	0	-77.1	176.9	171.2	0	0	108.9
2	A	27.2	Very low	29.1	Very low	97 Å²	97	140.4 Å²	140.4	80%	0.802	85%	0.846	S	S	*	*			trans	-62.4	140.7	-151.8	0	0	0	0	0	116.3
3	I	28.7	Very low	29	Very low	157 Å²	157	134.8 Å²	134.8	81%	0.805	84%	0.835	S	S	*	*			trans	-99.4	124	166.1	-52	170.2	0	0	0	106.4
4	V	27.1	Very low	28.9	Very low	138 Å²	138	134 Å²	134	84%	0.836	84%	0.837	S	S	*	*			trans	-107.8	100.8	174.3	178.4	0	0	0	0	109.1
5	S	29.8	Very low	29.2	Very low	102 Å²	102	140 Å²	140	71%	0.713	84%	0.837	S	S	*	*			trans	-84.5	116.7	172.9	-62.6	0	0	0	0	110.4	S7	S5-S7 PolarHBondContact O-N 3.37Å
6	G	27.9	Very low	29.3	Very low	80 Å²	80	141.4 Å²	141.4	83%	0.825	84%	0.839	S	S	*	*			trans	-83.9	105.6	171.9	0	0	0	0	0	111.9
7	S	28.8	Very low	29.3	Very low	123 Å²	123	137.1 Å²	137.1	86%	0.86	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-71.2	127.5	177.3	-64.5	0	0	0	0	112.2	S5	S5-S7 PolarHBondContact O-N 3.37Å
8	C	30.6	Very low	29.7	Very low	94 Å²	94	136.9 Å²	136.9	64%	0.635	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-90.2	133.8	164.8	49.3	0	0	0	0	110.7
9	A	29.5	Very low	29.6	Very low	98 Å²	98	135.8 Å²	135.8	81%	0.81	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-72.7	138.9	-173.1	0	0	0	0	0	112.6	V11	A9-V11 PolarHBondContact O-N 3.39Å
10	R	29.1	Very low	29.9	Very low	249 Å²	249	136.1 Å²	136.1	94%	0.94	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-76.6	118.6	168.1	-72.2	178	175	160.6	-0.8	109.6
11	V	31.1	Very low	29.8	Very low	143 Å²	143	135.2 Å²	135.2	87%	0.867	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-88.9	119.2	160.2	178.3	0	0	0	0	107.8	A9	A9-V11 PolarHBondContact O-N 3.39Å
12	N	27.6	Very low	30	Very low	163 Å²	163	128.8 Å²	128.8	87%	0.872	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-93.1	120.2	-179.6	-161.2	28.7	0	0	0	109.1
13	G	27.4	Very low	30	Very low	68 Å²	68	130.7 Å²	130.7	70%	0.701	82%	0.82	S	S	*	*			trans	-123.1	134	178.5	0	0	0	0	0	110.4
14	S	28.6	Very low	30.3	Very low	123 Å²	123	130 Å²	130	86%	0.86	82%	0.823	S	S	*	*			trans	-68	149.7	-161.6	-170.2	0	0	0	0	115.2
15	R	33.1	Very low	30.4	Very low	224 Å²	224	128.5 Å²	128.5	85%	0.845	83%	0.825	S	S	*	*			trans	-55	137.9	160.2	-74.6	169.3	153.4	179.5	-8.8	110.9
16	N	30.1	Very low	30.6	Very low	163 Å²	163	129.8 Å²	129.8	87%	0.872	83%	0.834	S	S	*	*				-169	127.5	122.4	-90.5	-17.8	0	0	0	109.6
17	G	30.4	Very low	31	Very low	68 Å²	68	129.5 Å²	129.5	70%	0.701	83%	0.831	S	S	*	*			trans	-82.7	170	162	0	0	0	0	0	110.4
18	P	35.3	Very low	31	Very low	134 Å²	134	129.2 Å²	129.2	87%	0.87	83%	0.829	S	S	*	*				-140.7	172.8	88	37.1	-22.7	0	0	0	116.6
19	S	28.9	Very low	31.2	Very low	115 Å²	115	131.6 Å²	131.6	80%	0.804	84%	0.84	S	S	*	*			trans	-28.6	152.3	179.2	-50.4	0	0	0	0	121
20	V	36	Very low	31.5	Very low	142 Å²	142	130.4 Å²	130.4	86%	0.861	84%	0.838	S	S	*	*			trans	-58.5	138.3	165	-67.9	0	0	0	0	113.1
21	S	27.2	Very low	32.1	Very low	118 Å²	118	127.3 Å²	127.3	83%	0.825	83%	0.833	S	S	*	*			trans	-148.4	132.6	155.7	-87.9	0	0	0	0	108.1
22	A	36.5	Very low	33.3	Very low	105 Å²	105	125.9 Å²	125.9	87%	0.868	83%	0.83	S	S	*	*			trans	-86.8	122.5	179.5	0	0	0	0	0	110.7
23	T	25.8	Very low	35.1	Very low	137 Å²	137	124.5 Å²	124.5	84%	0.84	82%	0.818	S	S	*	*			trans	-149.2	130.1	163.6	-6.8	0	0	0	0	111.2
24	T	36	Very low	37.5	Very low	144 Å²	144	124.1 Å²	124.1	88%	0.883	80%	0.803	S	S	*	*			trans	-76.8	125.2	173.1	45.9	0	0	0	0	111.2
25	A	29	Very low	40.2	Very low	105 Å²	105	121.7 Å²	121.7	87%	0.868	78%	0.779	S	S	*	*			trans	-153	149.5	161.5	0	0	0	0	0	111.8
26	S	32.9	Very low	42.9	Very low	130 Å²	130	111 Å²	111	91%	0.909	74%	0.739	S	S	*	*			trans	-85.3	156.8	-171.2	-171	0	0	0	0	113.6
27	G	37	Very low	45.8	Very low	73 Å²	73	103.3 Å²	103.3	75%	0.753	70%	0.698	S	S	*	*			trans	91.9	87.7	148.1	0	0	0	0	0	117.9
28	S	29.2	Very low	48.7	Very low	117 Å²	117	100 Å²	100	82%	0.818	66%	0.664	S	S	*	*			trans	-140.9	140.3	150	66.6	0	0	0	0	110.9	G30	S28-G30 PolarHBondContact O-N 3.47Å
29	V	35.1	Very low	51.5	Low	145 Å²	145	94 Å²	94	88%	0.879	62%	0.624	S	S	*	*			trans	-70.5	117.9	-179.5	178.5	0	0	0	0	108.3	Q31	V29-Q31 PolarHBondContact O-N 3.21Å; V29-Q31 VanDerWaalsContact O-N 3.08Å
30	G	34.7	Very low	54.6	Low	73 Å²	73	88.6 Å²	88.6	75%	0.753	59%	0.586	S	S	*	*			trans	-63.3	108.8	-167.8	0	0	0	0	0	113.7	S28 S32	S28-G30 PolarHBondContact O-N 3.47Å; G30-S32 PolarHBondContact O-N 3.3Å
31	Q	42.2	Very low	57.4	Low	183 Å²	183	84.8 Å²	84.8	86%	0.855	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-66.5	122.8	162.3	-67.7	-177.2	-4.6	0	0	108.9	V29 Q33	V29-Q31 PolarHBondContact O-N 3.21Å; V29-Q31 VanDerWaalsContact O-N 3.08Å; Q31-Q33 PolarHBondContact O-N 3.32Å
32	S	55.4	Low	60.7	Low	114 Å²	114	81.8 Å²	81.8	80%	0.797	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-62.2	118.4	176.2	54.4	0	0	0	0	110.4	G30	G30-S32 PolarHBondContact O-N 3.3Å
33	Q	65.4	Low	63.2	Low	134 Å²	134	77.9 Å²	77.9	63%	0.626	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-58.3	136.2	173.8	-72.4	-68.8	-38.2	0	0	109.7	Q31 M35	Q31-Q33 PolarHBondContact O-N 3.32Å; Q33-M35 PolarHBondContact O-N 2.95Å
34	P	78.2	Confident	66.1	Low	59 Å²	59	76.3 Å²	76.3	38%	0.383	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-64.8	128.5	179.6	25.8	-33.1	0	0	0	110.2	Q118 L198	P34-Q118 HydrophobicContact CB-CB 4.29Å; P34-Q118 HydrophobicContact CG-CB 4.08Å; P34-Q118 VanDerWaalsContact CG-OE1 3.24Å; P34-Q118 WeakPolarHBondContact O-CB 3.49Å; P34-Q118 PolarHBondContact O-N 3.16Å; P34-L198 HydrophobicContact CB-CD2 4.19Å
35	M	86.4	Confident	68.5	Low	72 Å²	72	76.1 Å²	76.1	36%	0.355	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	142.1	179.5	-60.6	-65	-73.7	0	0	110	Q33 L115 F116 A117 A199	Q33-M35 PolarHBondContact O-N 2.95Å; M35-L115 HydrophobicContact CE-CB 3.85Å; M35-F116 CarbonylContact C-O 3.58Å; M35-F116 VanDerWaalsContact CA-O 3.27Å; M35-F116 WeakPolarHBondContact CA-O 3.33Å; M35-F116 VanDerWaalsContact CE-C 3.44Å; M35-A117 HydrophobicContact SD-CB 4.32Å; M35-A199 HydrophobicContact CB-CB 4.29Å; M35-A199 WeakPolarHBondContact O-CB 3.4Å; M35-A199 PolarHBondContact O-N 2.83Å
36	I	88.8	Confident	71.3	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.005	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	148.1	169.5	55.5	168.9	0	0	0	110.3	V38 L115 F116 Q118 L122 P197 L198	I36-V38 HydrophobicContact CD1-CG2 4.4Å; I36-L115 WeakPolarHBondContact O-CA 3.39Å; I36-F116 HydrophobicContact CD1-CB 4.33Å; I36-F116 HydrophobicContact CG1-CB 4.05Å; I36-F116 WeakPolarHBondContact CG1-O 3.44Å; I36-F116 PolarHBondContact N-O 2.85Å; I36-F116 PolarHBondContact O-N 3.25Å; I36-F116 VanDerWaalsContact O-N 3.13Å; I36-Q118 HydrophobicContact CG2-CB 4.13Å; I36-Q118 HydrophobicContact CG2-CG 4.07Å; I36-L122 HydrophobicContact CD1-CB 3.46Å; I36-L122 VanDerWaalsContact CD1-CB 3.46Å; I36-L122 HydrophobicContact CD1-CD1 4.37Å; I36-P197 CarbonylContact C-O 3.51Å; I36-P197 VanDerWaalsContact CA-O 3.27Å; I36-P197 WeakPolarHBondContact CA-O 3.4Å; I36-L198 HydrophobicContact CG2-CD2 4.25Å
37	A	90.6	Very high	73.9	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	119.5	174.1	0	0	0	0	0	110.6	E60 L115 P197 A199	A37-E60 HydrophobicContact CB-CG 3.98Å; A37-L115 HydrophobicContact CB-CD2 4.09Å; A37-P197 HydrophobicContact CB-CG 4.37Å; A37-P197 PolarHBondContact N-O 3.18Å; A37-P197 WeakPolarHBondContact O-CD 3.17Å; A37-A199 HydrophobicContact CB-CB 4.18Å
38	V	91.9	Very high	76.6	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.5	173.3	-179.6	0	0	0	0	107.6	I36 E40 P50 S114 F116 L122 T142 Y196	I36-V38 HydrophobicContact CD1-CG2 4.4Å; V38-E40 HydrophobicContact CG1-CG 3.96Å; V38-P50 HydrophobicContact CG1-CB 4.07Å; V38-S114 PolarHBondContact N-O 3.41Å; V38-S114 PolarHBondContact O-N 3.23Å; V38-F116 HydrophobicContact CB-CD2 4.04Å; V38-F116 HydrophobicContact CB-CE2 3.97Å; V38-F116 HydrophobicContact CG2-CD2 3.65Å; V38-F116 HydrophobicContact CG2-CE2 4.04Å; V38-L122 HydrophobicContact CG2-CD1 4.41Å; V38-T142 HydrophobicContact CB-CG2 4.45Å; V38-T142 HydrophobicContact CG1-CG2 4.08Å; V38-T142 HydrophobicContact CG2-CG2 4.2Å; V38-Y196 HydrophobicContact CB-CD1 4.19Å; V38-Y196 HydrophobicContact CB-CE1 4.21Å; V38-Y196 HydrophobicContact CG1-CD1 4.22Å; V38-Y196 HydrophobicContact CG1-CE1 3.73Å; V38-Y196 HydrophobicContact CG2-CD1 3.74Å; V38-Y196 HydrophobicContact CG2-CD2 4.27Å; V38-Y196 HydrophobicContact CG2-CE1 3.99Å; V38-Y196 HydrophobicContact CG2-CE2 4.49Å; V38-Y196 HydrophobicContact CG2-CG 3.9Å
39	W	93.6	Very high	79.6	Confident	6 Å²	6	64.7 Å²	64.7	2%	0.023	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	133.8	170.9	-76.2	79.5	0	0	0	109.5	Y51 S56 I59 E60 L63 L98 V111 R113	W39-Y51 HydrophobicContact CB-CD2 3.79Å; W39-Y51 WeakPolarHBondContact O-CD2 3.22Å; W39-Y51 PolarHBondContact O-N 3.49Å; W39-S56 PolarHBondContact N-OG 3.33Å; W39-I59 HydrophobicContact CB-CD1 3.84Å; W39-I59 HydrophobicContact CD2-CB 4.26Å; W39-I59 HydrophobicContact CD2-CD1 4.18Å; W39-I59 HydrophobicContact CD2-CG2 3.5Å; W39-I59 HydrophobicContact CE3-CD1 4.44Å; W39-I59 HydrophobicContact CE3-CG2 3.91Å; W39-I59 HydrophobicContact CG-CB 4.24Å; W39-I59 HydrophobicContact CG-CD1 3.88Å; W39-I59 HydrophobicContact CG-CG2 4Å; W39-I59 HydrophobicContact CH2-CG2 3.97Å; W39-I59 HydrophobicContact CZ2-CG2 3.58Å; W39-I59 HydrophobicContact CZ3-CG2 4.11Å; W39-E60 PolarHBondContact NE1-OE1 2.79Å; W39-L63 HydrophobicContact CH2-CD1 3.67Å; W39-L63 HydrophobicContact CZ2-CD1 3.27Å; W39-L98 HydrophobicContact CH2-CD2 3.96Å; W39-L98 HydrophobicContact CZ3-CD2 3.82Å; W39-V111 HydrophobicContact CE3-CG1 3.53Å; W39-V111 HydrophobicContact CZ3-CG1 3.76Å; W39-R113 HydrophobicContact CD2-CB 4.19Å; W39-R113 HydrophobicContact CD2-CG 4.46Å; W39-R113 HydrophobicContact CE3-CB 4.4Å; W39-R113 HydrophobicContact CH2-CB 3.95Å; W39-R113 HydrophobicContact CZ2-CB 3.67Å; W39-R113 HydrophobicContact CZ2-CG 3.82Å; W39-R113 HydrophobicContact CZ3-CB 4.31Å
40	E	95.1	Very high	82.4	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.009	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	148.2	-176.2	-58.2	177.5	113.8	0	0	110.4	V38 W48 R49 V111 R112 S114 T142	V38-E40 HydrophobicContact CG1-CG 3.96Å; E40-W48 HydrophobicContact CB-CB 4.43Å; E40-W48 HydrophobicContact CB-CE3 3.95Å; E40-R49 CarbonylContact C-O 3.58Å; E40-R49 VanDerWaalsContact CA-O 3.25Å; E40-R49 WeakPolarHBondContact CA-O 3.41Å; E40-V111 CarbonylContact O-C 3.58Å; E40-V111 VanDerWaalsContact O-CA 3.27Å; E40-V111 WeakPolarHBondContact O-CA 3.39Å; E40-R112 HydrophobicContact CB-CG 4.17Å; E40-R112 PolarHBondContact N-O 3.39Å; E40-R112 PolarHBondContact O-N 2.83Å; E40-R112 IonicContact OE1-NH2 2.73Å; E40-R112 IonicContact OE2-CZ 3.76Å; E40-R112 IonicContact OE2-NE 3.72Å; E40-R112 PolarHBondContact OE2-NE 2.71Å; E40-R112 IonicContact OE2-NH2 3.65Å; E40-R112 PolarHBondContact OE2-NH2 2.99Å; E40-S114 WeakPolarHBondContact OE2-CB 3.24Å; E40-S114 PolarHBondContact OE2-OG 2.95Å; E40-T142 VanDerWaalsContact OE1-CB 3.27Å; E40-T142 WeakPolarHBondContact OE1-CB 3.49Å; E40-T142 PolarHBondContact OE1-OG1 3.08Å
41	W	95.1	Very high	85.1	Confident	63 Å²	63	55.3 Å²	55.3	24%	0.239	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	149.8	173.5	63	-86.5	0	0	0	111.3	D43 R49 Y51 R109 S110 V111	W41-D43 HydrophobicContact CE3-CB 4.45Å; W41-D43 HydrophobicContact CH2-CB 4.28Å; W41-D43 HydrophobicContact CZ3-CB 3.73Å; W41-R49 HydrophobicContact CD2-CB 4.04Å; W41-R49 HydrophobicContact CG-CB 4.45Å; W41-R49 HydrophobicContact CH2-CB 4.42Å; W41-R49 HydrophobicContact CH2-CG 4.14Å; W41-R49 HydrophobicContact CZ2-CB 3.82Å; W41-R49 HydrophobicContact CZ2-CG 3.99Å; W41-R49 HydrophobicContact CZ3-CG 4.45Å; W41-R49 PolarHBondContact N-O 3.22Å; W41-R49 PolarHBondContact O-N 3.25Å; W41-Y51 HydrophobicContact CB-CE1 4.45Å; W41-Y51 HydrophobicContact CB-CE2 3.93Å; W41-Y51 AromaticContact CD1-CD1 3.68Å; W41-Y51 AromaticContact CD1-CE1 3.4Å; W41-Y51 AromaticContact CD1-CE2 3.9Å; W41-Y51 AromaticContact CD1-CZ 3.53Å; W41-Y51 HydrophobicContact CG-CE1 4.1Å; W41-Y51 HydrophobicContact CG-CE2 4.31Å; W41-Y51 AromaticContact CG-CZ 3.88Å; W41-R109 VanDerWaalsContact CE3-CD 3.42Å; W41-S110 CarbonylContact C-O 3.51Å; W41-S110 VanDerWaalsContact CA-O 3.31Å; W41-S110 WeakPolarHBondContact CA-O 3.25Å; W41-V111 HydrophobicContact CB-CG2 4.25Å
42	Q	95.4	Very high	87.4	Confident	54 Å²	54	47.9 Å²	47.9	25%	0.252	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.9	-175.3	-163.7	174.3	26	0	0	111.6	G46 Y47 W48 R109 S110	Q42-G46 WeakPolarHBondContact CG-O 3.41Å; Q42-G46 PolarHBondContact NE2-O 3.42Å; Q42-Y47 CarbonylContact C-O 3.58Å; Q42-Y47 WeakPolarHBondContact CA-O 3.42Å; Q42-W48 HydrophobicContact CB-CD2 4.14Å; Q42-W48 HydrophobicContact CB-CE3 4.05Å; Q42-W48 HydrophobicContact CB-CH2 4.06Å; Q42-W48 HydrophobicContact CB-CZ2 4.09Å; Q42-W48 HydrophobicContact CB-CZ3 4Å; Q42-W48 HydrophobicContact CG-CD2 4.34Å; Q42-W48 HydrophobicContact CG-CZ2 4.24Å; Q42-R109 WeakPolarHBondContact O-CB 3.28Å; Q42-R109 WeakPolarHBondContact O-CD 3.38Å; Q42-R109 PolarHBondContact O-NH1 2.92Å; Q42-S110 PolarHBondContact N-O 3.45Å; Q42-S110 PolarHBondContact OE1-OG 2.7Å; Q42-S110 VanDerWaalsContact OE1-OG 3.12Å
43	D	90.3	Very high	88.9	Confident	24 Å²	24	42.5 Å²	42.5	13%	0.128	22%	0.217	C	C	.	.			trans	-77.1	176.7	176.8	75.2	22.3	0	0	0	113.2	W41 L45 G46 Y47 R49	W41-D43 HydrophobicContact CE3-CB 4.45Å; W41-D43 HydrophobicContact CH2-CB 4.28Å; W41-D43 HydrophobicContact CZ3-CB 3.73Å; D43-L45 PolarHBondContact O-N 2.9Å; D43-L45 WeakPolarHBondContact OD1-CA 3.42Å; D43-L45 WeakPolarHBondContact OD1-CB 3.48Å; D43-L45 PolarHBondContact OD1-N 2.96Å; D43-G46 PolarHBondContact O-N 3.09Å; D43-G46 VanDerWaalsContact O-N 3.09Å; D43-G46 PolarHBondContact OD1-N 3.17Å; D43-G46 VanDerWaalsContact OD1-N 3.11Å; D43-Y47 PolarHBondContact N-O 3.44Å; D43-Y47 PolarHBondContact OD1-N 2.99Å; D43-R49 HydrophobicContact CB-CG 4.27Å; D43-R49 IonicContact OD2-CZ 3.52Å; D43-R49 IonicContact OD2-NE 2.73Å; D43-R49 PolarHBondContact OD2-NE 2.97Å; D43-R49 IonicContact OD2-NH2 3.5Å; D43-R49 PolarHBondContact OD2-NH2 3.06Å
44	D	86.6	Confident	90.1	Very high	103 Å²	103	40.9 Å²	40.9	55%	0.551	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-18.3	-176.7	-64.1	-46.6	0	0	0	113.7	G46 K107 R109	D44-G46 VanDerWaalsContact C-N 3.33Å; D44-K107 WeakPolarHBondContact OD1-CE 3.23Å; D44-K107 IonicContact OD1-NZ 3.43Å; D44-K107 PolarHBondContact OD1-NZ 2.91Å; D44-K107 IonicContact OD2-NZ 2.76Å; D44-K107 PolarHBondContact OD2-NZ 2.79Å; D44-R109 VanDerWaalsContact CG-NH1 3.25Å; D44-R109 VanDerWaalsContact CG-NH2 3.28Å; D44-R109 IonicContact OD1-CZ 3.79Å; D44-R109 IonicContact OD1-NH1 3.66Å; D44-R109 PolarHBondContact OD1-NH1 3.3Å; D44-R109 IonicContact OD1-NH2 2.72Å; D44-R109 PolarHBondContact OD1-NH2 3.07Å; D44-R109 IonicContact OD2-CZ 3.54Å; D44-R109 IonicContact OD2-NH1 3.18Å; D44-R109 IonicContact OD2-NH2 2.75Å; D44-R109 PolarHBondContact OD2-NH2 3.18Å
45	L	86	Confident	90.8	Very high	141 Å²	141	38 Å²	38	74%	0.738	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	2.3	177.7	-56.2	176.2	0	0	0	111.2	D43 Y47	D43-L45 PolarHBondContact O-N 2.9Å; D43-L45 WeakPolarHBondContact OD1-CA 3.42Å; D43-L45 WeakPolarHBondContact OD1-CB 3.48Å; D43-L45 PolarHBondContact OD1-N 2.96Å; L45-Y47 HydrophobicContact CB-CD2 3.67Å; L45-Y47 HydrophobicContact CB-CE2 3.76Å; L45-Y47 HydrophobicContact CD1-CE2 4.38Å
46	G	86.4	Confident	91	Very high	32 Å²	32	34.6 Å²	34.6	33%	0.33	17%	0.174	S	C	.	.	S	Bend	trans	87.3	-2.3	177.2	0	0	0	0	0	115.1	Q42 D43 D44	Q42-G46 WeakPolarHBondContact CG-O 3.41Å; Q42-G46 PolarHBondContact NE2-O 3.42Å; D43-G46 PolarHBondContact O-N 3.09Å; D43-G46 VanDerWaalsContact O-N 3.09Å; D43-G46 PolarHBondContact OD1-N 3.17Å; D43-G46 VanDerWaalsContact OD1-N 3.11Å; D44-G46 VanDerWaalsContact C-N 3.33Å
47	Y	89.4	Confident	91.1	Very high	92 Å²	92	36.1 Å²	36.1	36%	0.361	19%	0.186	S	C	.	.			trans	-76.8	152.1	179.4	-61.2	-73	0	0	0	111.7	Q42 D43 L45 E141 Y166	Q42-Y47 CarbonylContact C-O 3.58Å; Q42-Y47 WeakPolarHBondContact CA-O 3.42Å; D43-Y47 PolarHBondContact N-O 3.44Å; D43-Y47 PolarHBondContact OD1-N 2.99Å; L45-Y47 HydrophobicContact CB-CD2 3.67Å; L45-Y47 HydrophobicContact CB-CE2 3.76Å; L45-Y47 HydrophobicContact CD1-CE2 4.38Å; Y47-E141 WeakPolarHBondContact CA-OE1 3.4Å; Y47-E141 WeakPolarHBondContact CB-OE1 3.48Å; Y47-E141 WeakPolarHBondContact CD1-OE1 3.46Å; Y47-Y166 HydrophobicContact CD1-CE1 4.31Å; Y47-Y166 WeakPolarHBondContact CD1-OH 3.34Å; Y47-Y166 AromaticContact CE1-CE1 3.73Å; Y47-Y166 HydrophobicContact CE1-CE1 3.73Å; Y47-Y166 AromaticContact CE1-CZ 3.96Å; Y47-Y166 WeakPolarHBondContact CE1-OH 3.26Å
48	W	92.9	Very high	91.1	Very high	41 Å²	41	38 Å²	38	16%	0.155	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	114.3	-178.4	-70.7	86.9	0	0	0	111.4	E40 Q42 R112 E141	E40-W48 HydrophobicContact CB-CB 4.43Å; E40-W48 HydrophobicContact CB-CE3 3.95Å; Q42-W48 HydrophobicContact CB-CD2 4.14Å; Q42-W48 HydrophobicContact CB-CE3 4.05Å; Q42-W48 HydrophobicContact CB-CH2 4.06Å; Q42-W48 HydrophobicContact CB-CZ2 4.09Å; Q42-W48 HydrophobicContact CB-CZ3 4Å; Q42-W48 HydrophobicContact CG-CD2 4.34Å; Q42-W48 HydrophobicContact CG-CZ2 4.24Å; W48-R112 VanDerWaalsContact CB-NH2 3.34Å; W48-R112 HydrophobicContact CD2-CG 4.4Å; W48-R112 VanDerWaalsContact CD2-CZ 3.43Å; W48-R112 VanDerWaalsContact CE2-NH1 3.32Å; W48-R112 HydrophobicContact CE3-CG 3.73Å; W48-R112 VanDerWaalsContact CG-NH1 3.34Å; W48-R112 HydrophobicContact CH2-CB 4.04Å; W48-R112 HydrophobicContact CH2-CG 3.98Å; W48-R112 HydrophobicContact CZ3-CB 3.87Å; W48-R112 HydrophobicContact CZ3-CG 3.5Å; W48-E141 PolarHBondContact N-OE1 3.44Å; W48-E141 WeakPolarHBondContact O-CG 3.13Å
49	R	92.9	Very high	91.1	Very high	20 Å²	20	38 Å²	38	8%	0.075	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.6	-179.3	-55.7	-59.1	173.5	-168.5	-11.9	109.7	E40 W41 D43 P139	E40-R49 CarbonylContact C-O 3.58Å; E40-R49 VanDerWaalsContact CA-O 3.25Å; E40-R49 WeakPolarHBondContact CA-O 3.41Å; W41-R49 HydrophobicContact CD2-CB 4.04Å; W41-R49 HydrophobicContact CG-CB 4.45Å; W41-R49 HydrophobicContact CH2-CB 4.42Å; W41-R49 HydrophobicContact CH2-CG 4.14Å; W41-R49 HydrophobicContact CZ2-CB 3.82Å; W41-R49 HydrophobicContact CZ2-CG 3.99Å; W41-R49 HydrophobicContact CZ3-CG 4.45Å; W41-R49 PolarHBondContact N-O 3.22Å; W41-R49 PolarHBondContact O-N 3.25Å; D43-R49 HydrophobicContact CB-CG 4.27Å; D43-R49 IonicContact OD2-CZ 3.52Å; D43-R49 IonicContact OD2-NE 2.73Å; D43-R49 PolarHBondContact OD2-NE 2.97Å; D43-R49 IonicContact OD2-NH2 3.5Å; D43-R49 PolarHBondContact OD2-NH2 3.06Å; R49-P139 PolarHBondContact NH1-O 3.19Å
50	P	92.4	Very high	91	Very high	13 Å²	13	38.5 Å²	38.5	8%	0.084	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	139.6	174.6	27.4	-32.7	0	0	0	110.9	V38 P139	V38-P50 HydrophobicContact CG1-CB 4.07Å; P50-P139 HydrophobicContact CG-CB 4.37Å
51	Y	92.3	Very high	90.6	Very high	7 Å²	7	46.3 Å²	46.3	3%	0.027	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-71.6	156.1	155.6	-68.4	-68.7	0	0	0	109.4	W39 W41 V55 I59 L81 L88 I93 Q100 V111 Y196	W39-Y51 HydrophobicContact CB-CD2 3.79Å; W39-Y51 WeakPolarHBondContact O-CD2 3.22Å; W39-Y51 PolarHBondContact O-N 3.49Å; W41-Y51 HydrophobicContact CB-CE1 4.45Å; W41-Y51 HydrophobicContact CB-CE2 3.93Å; W41-Y51 AromaticContact CD1-CD1 3.68Å; W41-Y51 AromaticContact CD1-CE1 3.4Å; W41-Y51 AromaticContact CD1-CE2 3.9Å; W41-Y51 AromaticContact CD1-CZ 3.53Å; W41-Y51 HydrophobicContact CG-CE1 4.1Å; W41-Y51 HydrophobicContact CG-CE2 4.31Å; W41-Y51 AromaticContact CG-CZ 3.88Å; Y51-V55 HydrophobicContact CD1-CG1 3.88Å; Y51-V55 HydrophobicContact CG-CG1 3.86Å; Y51-I59 HydrophobicContact CD2-CD1 4.3Å; Y51-L81 HydrophobicContact CD1-CD1 4.39Å; Y51-L81 HydrophobicContact CE1-CD1 3.57Å; Y51-L88 HydrophobicContact CD1-CD1 4.21Å; Y51-L88 HydrophobicContact CE1-CD1 4.41Å; Y51-I93 HydrophobicContact CE2-CD1 3.84Å; Y51-Q100 VanDerWaalsContact OH-CD 3.23Å; Y51-Q100 PolarHBondContact OH-NE2 3.28Å; Y51-V111 HydrophobicContact CE2-CG1 4.39Å; Y51-V111 HydrophobicContact CE2-CG2 4.34Å; Y51-Y196 VanDerWaalsContact O-CE1 3.31Å; Y51-Y196 WeakPolarHBondContact O-CE1 3.48Å; Y51-Y196 PolarHBondContact O-OH 2.82Å; Y51-Y196 VanDerWaalsContact O-OH 3.06Å
52	S	89.7	Confident	90.1	Very high	28 Å²	28	45.3 Å²	45.3	20%	0.196	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-60.2	159.8	175.7	70.9	0	0	0	0	112.1	Q54 V55 S56	S52-Q54 PolarHBondContact O-N 3.5Å; S52-V55 PolarHBondContact O-N 3.29Å; S52-V55 VanDerWaalsContact O-N 3.16Å; S52-V55 WeakPolarHBondContact OG-CG2 3.27Å; S52-V55 PolarHBondContact OG-N 3.15Å; S52-S56 WeakPolarHBondContact O-CB 3.45Å; S52-S56 PolarHBondContact O-N 3.18Å; S52-S56 PolarHBondContact O-OG 3.05Å; S52-S56 VanDerWaalsContact O-OG 3.14Å
53	G	88.3	Confident	89.4	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-58.6	-34.3	175.9	0	0	0	0	0	113.1	S56 A57 L194	G53-S56 PolarHBondContact O-N 3.26Å; G53-A57 VanDerWaalsContact O-CB 3.23Å; G53-A57 WeakPolarHBondContact O-CB 3.19Å; G53-A57 PolarHBondContact O-N 2.91Å; G53-L194 WeakPolarHBondContact CA-O 3.35Å
54	Q	90.1	Very high	88.6	Confident	99 Å²	99	46.9 Å²	46.9	46%	0.463	24%	0.241	S	C	.	.	H	α-helix	trans	-62.4	-48.2	173	171.9	169.3	-19.2	0	0	112.5	S52 A57 Y58 S84 L194	S52-Q54 PolarHBondContact O-N 3.5Å; Q54-A57 PolarHBondContact O-N 3.26Å; Q54-Y58 WeakPolarHBondContact O-CB 3.36Å; Q54-Y58 PolarHBondContact O-N 3.09Å; Q54-S84 PolarHBondContact NE2-O 3.38Å; Q54-L194 HydrophobicContact CB-CB 4.31Å; Q54-L194 HydrophobicContact CB-CD2 4.5Å
55	V	91.8	Very high	87.1	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.1	-41.4	177.8	174.2	0	0	0	0	110.4	Y51 S52 A57 Y58 I59 L81 D85 L88	Y51-V55 HydrophobicContact CD1-CG1 3.88Å; Y51-V55 HydrophobicContact CG-CG1 3.86Å; S52-V55 PolarHBondContact O-N 3.29Å; S52-V55 VanDerWaalsContact O-N 3.16Å; S52-V55 WeakPolarHBondContact OG-CG2 3.27Å; S52-V55 PolarHBondContact OG-N 3.15Å; V55-A57 PolarHBondContact O-N 2.89Å; V55-Y58 WeakPolarHBondContact O-CB 3.23Å; V55-Y58 PolarHBondContact O-N 2.87Å; V55-I59 HydrophobicContact CG1-CD1 3.92Å; V55-I59 VanDerWaalsContact O-CG1 3.29Å; V55-I59 WeakPolarHBondContact O-CG1 3.38Å; V55-I59 PolarHBondContact O-N 2.65Å; V55-L81 HydrophobicContact CG1-CD2 3.98Å; V55-D85 HydrophobicContact CG2-CB 3.98Å; V55-L88 HydrophobicContact CG1-CD1 4.37Å; V55-L88 HydrophobicContact CG2-CD1 3.92Å
56	S	92.1	Very high	85.5	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-42.8	175.1	-63.3	0	0	0	0	112.2	W39 S52 G53 I59 E60	W39-S56 PolarHBondContact N-OG 3.33Å; S52-S56 WeakPolarHBondContact O-CB 3.45Å; S52-S56 PolarHBondContact O-N 3.18Å; S52-S56 PolarHBondContact O-OG 3.05Å; S52-S56 VanDerWaalsContact O-OG 3.14Å; G53-S56 PolarHBondContact O-N 3.26Å; S56-I59 PolarHBondContact O-N 2.67Å; S56-E60 WeakPolarHBondContact O-CG 3.31Å; S56-E60 PolarHBondContact O-N 3.14Å
57	A	90.2	Very high	83.4	Confident	33 Å²	33	53 Å²	53	27%	0.273	27%	0.269	S	S	.	.	H	α-helix	trans	-66.2	-36.3	175.6	0	0	0	0	0	112.5	G53 Q54 V55 R61 P197	G53-A57 VanDerWaalsContact O-CB 3.23Å; G53-A57 WeakPolarHBondContact O-CB 3.19Å; G53-A57 PolarHBondContact O-N 2.91Å; Q54-A57 PolarHBondContact O-N 3.26Å; V55-A57 PolarHBondContact O-N 2.89Å; A57-R61 VanDerWaalsContact O-CB 3.29Å; A57-R61 WeakPolarHBondContact O-CB 3.16Å; A57-R61 PolarHBondContact O-N 3.06Å; A57-P197 HydrophobicContact CB-CB 4.18Å; A57-P197 HydrophobicContact CB-CG 4.22Å
58	Y	91.1	Very high	81.1	Confident	39 Å²	39	57 Å²	57	15%	0.153	29%	0.29	C	S	.	.	H	α-helix	trans	-62.8	-45.7	172.3	177.6	-117.3	0	0	0	111.6	Q54 V55 R61 C62 I79 Q83	Q54-Y58 WeakPolarHBondContact O-CB 3.36Å; Q54-Y58 PolarHBondContact O-N 3.09Å; V55-Y58 WeakPolarHBondContact O-CB 3.23Å; V55-Y58 PolarHBondContact O-N 2.87Å; Y58-R61 PolarHBondContact O-N 2.96Å; Y58-C62 PolarHBondContact O-N 2.69Å; Y58-C62 PolarHBondContact O-SG 2.99Å; Y58-I79 HydrophobicContact CD1-CG2 3.86Å; Y58-I79 HydrophobicContact CE1-CG2 3.37Å; Y58-Q83 HydrophobicContact CE1-CB 4.11Å; Y58-Q83 HydrophobicContact CE2-CB 4.37Å; Y58-Q83 WeakPolarHBondContact OH-CB 3.4Å
59	I	91.8	Very high	78.8	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61.7	-51.1	177.5	-64.3	159.8	0	0	0	110.9	W39 Y51 V55 S56 R61 C62 L63 I79 L81 I93	W39-I59 HydrophobicContact CB-CD1 3.84Å; W39-I59 HydrophobicContact CD2-CB 4.26Å; W39-I59 HydrophobicContact CD2-CD1 4.18Å; W39-I59 HydrophobicContact CD2-CG2 3.5Å; W39-I59 HydrophobicContact CE3-CD1 4.44Å; W39-I59 HydrophobicContact CE3-CG2 3.91Å; W39-I59 HydrophobicContact CG-CB 4.24Å; W39-I59 HydrophobicContact CG-CD1 3.88Å; W39-I59 HydrophobicContact CG-CG2 4Å; W39-I59 HydrophobicContact CH2-CG2 3.97Å; W39-I59 HydrophobicContact CZ2-CG2 3.58Å; W39-I59 HydrophobicContact CZ3-CG2 4.11Å; Y51-I59 HydrophobicContact CD2-CD1 4.3Å; V55-I59 HydrophobicContact CG1-CD1 3.92Å; V55-I59 VanDerWaalsContact O-CG1 3.29Å; V55-I59 WeakPolarHBondContact O-CG1 3.38Å; V55-I59 PolarHBondContact O-N 2.65Å; S56-I59 PolarHBondContact O-N 2.67Å; I59-R61 PolarHBondContact O-N 2.89Å; I59-C62 PolarHBondContact O-N 3.41Å; I59-C62 VanDerWaalsContact O-N 3.17Å; I59-L63 HydrophobicContact CG2-CD1 3.79Å; I59-L63 HydrophobicContact CG2-CG 4.45Å; I59-L63 VanDerWaalsContact O-CG 3.29Å; I59-L63 WeakPolarHBondContact O-CG 3.37Å; I59-L63 PolarHBondContact O-N 2.85Å; I59-L63 VanDerWaalsContact O-N 3.07Å; I59-I79 HydrophobicContact CB-CD1 4.3Å; I59-I79 HydrophobicContact CG1-CD1 4.38Å; I59-I79 HydrophobicContact CG1-CG2 4.42Å; I59-I79 HydrophobicContact CG2-CD1 3.89Å; I59-L81 HydrophobicContact CD1-CD2 4.21Å; I59-L81 HydrophobicContact CG1-CD2 4.28Å; I59-I93 HydrophobicContact CD1-CD1 3.59Å; I59-I93 HydrophobicContact CG1-CD1 4.24Å
60	E	90.5	Very high	76.1	Confident	16 Å²	16	69 Å²	69	8%	0.075	36%	0.357	C	S	.	.	H	α-helix	trans	-56.8	-37	175.6	-70.2	-66.6	118.4	0	0	112.5	A37 W39 S56 L63 S64 R113 P197	A37-E60 HydrophobicContact CB-CG 3.98Å; W39-E60 PolarHBondContact NE1-OE1 2.79Å; S56-E60 WeakPolarHBondContact O-CG 3.31Å; S56-E60 PolarHBondContact O-N 3.14Å; E60-L63 PolarHBondContact O-N 3.22Å; E60-S64 WeakPolarHBondContact O-CB 3.21Å; E60-S64 PolarHBondContact O-N 2.93Å; E60-S64 PolarHBondContact O-OG 2.9Å; E60-R113 IonicContact OE1-CZ 2.98Å; E60-R113 IonicContact OE1-NE 3.55Å; E60-R113 PolarHBondContact OE1-NE 2.66Å; E60-R113 IonicContact OE1-NH2 3.59Å; E60-R113 IonicContact OE2-CZ 2.83Å; E60-R113 IonicContact OE2-NE 2.74Å; E60-R113 PolarHBondContact OE2-NE 3.22Å; E60-R113 IonicContact OE2-NH2 2.73Å; E60-R113 PolarHBondContact OE2-NH2 3.06Å; E60-P197 HydrophobicContact CB-CB 4.45Å; E60-P197 HydrophobicContact CB-CG 4.27Å; E60-P197 HydrophobicContact CG-CB 4.14Å; E60-P197 HydrophobicContact CG-CG 3.59Å
61	R	87.1	Confident	73.5	Confident	167 Å²	167	73 Å²	73	63%	0.63	40%	0.401	S	S	*	.	H	α-helix	trans	-67.7	-41.9	177.7	-176.3	173.4	68	173.6	1.7	112.3	A57 Y58 I59 L63 S64	A57-R61 VanDerWaalsContact O-CB 3.29Å; A57-R61 WeakPolarHBondContact O-CB 3.16Å; A57-R61 PolarHBondContact O-N 3.06Å; Y58-R61 PolarHBondContact O-N 2.96Å; I59-R61 PolarHBondContact O-N 2.89Å; R61-L63 PolarHBondContact O-N 3.3Å; R61-S64 PolarHBondContact O-N 3.12Å
62	C	84.4	Confident	70.7	Confident	41 Å²	41	75.8 Å²	75.8	28%	0.277	43%	0.432	S	S	.	.	H	α-helix	trans	-65.7	-26.9	174.9	-73.4	0	0	0	0	112.9	Y58 I59 I79	Y58-C62 PolarHBondContact O-N 2.69Å; Y58-C62 PolarHBondContact O-SG 2.99Å; I59-C62 PolarHBondContact O-N 3.41Å; I59-C62 VanDerWaalsContact O-N 3.17Å; C62-I79 HydrophobicContact CB-CD1 3.44Å; C62-I79 VanDerWaalsContact CB-CD1 3.44Å; C62-I79 HydrophobicContact CB-CG1 3.89Å
63	L	80.3	Confident	68	Low	65 Å²	65	78 Å²	78	34%	0.34	46%	0.459	S	S	.	.	H	α-helix	trans	-88.5	-9.9	176.9	-63.3	172.9	0	0	0	114	W39 I59 E60 R61 P65 I79 I95	W39-L63 HydrophobicContact CH2-CD1 3.67Å; W39-L63 HydrophobicContact CZ2-CD1 3.27Å; I59-L63 HydrophobicContact CG2-CD1 3.79Å; I59-L63 HydrophobicContact CG2-CG 4.45Å; I59-L63 VanDerWaalsContact O-CG 3.29Å; I59-L63 WeakPolarHBondContact O-CG 3.37Å; I59-L63 PolarHBondContact O-N 2.85Å; I59-L63 VanDerWaalsContact O-N 3.07Å; E60-L63 PolarHBondContact O-N 3.22Å; R61-L63 PolarHBondContact O-N 3.3Å; L63-P65 WeakPolarHBondContact O-CD 3.34Å; L63-I79 HydrophobicContact CG-CD1 4.46Å; L63-I95 HydrophobicContact CD2-CB 4.45Å; L63-I95 HydrophobicContact CD2-CD1 4.18Å; L63-I95 HydrophobicContact CD2-CG1 4.19Å; L63-I95 HydrophobicContact CD2-CG2 3.46Å; L63-I95 VanDerWaalsContact CD2-CG2 3.46Å
64	S	74	Confident	65.7	Low	46 Å²	46	82.5 Å²	82.5	32%	0.322	50%	0.496	S	S	.	.			trans	-80.6	122.6	-173.9	-74.1	0	0	0	0	112.3	E60 R61 R66 G67	E60-S64 WeakPolarHBondContact O-CB 3.21Å; E60-S64 PolarHBondContact O-N 2.93Å; E60-S64 PolarHBondContact O-OG 2.9Å; R61-S64 PolarHBondContact O-N 3.12Å; S64-R66 PolarHBondContact O-N 3.49Å; S64-G67 PolarHBondContact O-N 3.14Å
65	P	56	Low	63.9	Low	116 Å²	116	80.9 Å²	80.9	75%	0.753	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-8.8	-178.8	-24.2	34.1	0	0	0	116	L63	L63-P65 WeakPolarHBondContact O-CD 3.34Å
66	R	51	Low	62.2	Low	235 Å²	235	83 Å²	83	89%	0.887	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	15.5	-176.7	-70.1	-176	170.5	-177.3	-2.8	113.7	S64	S64-R66 PolarHBondContact O-N 3.49Å
67	G	43.9	Very low	61.3	Low	54 Å²	54	87.3 Å²	87.3	56%	0.557	55%	0.55	S	S	*	.			trans	-54.9	137.9	167.9	0	0	0	0	0	111.6	S64	S64-G67 PolarHBondContact O-N 3.14Å
68	H	40.2	Very low	60.9	Low	175 Å²	175	88.1 Å²	88.1	81%	0.81	55%	0.554	S	S	*	*			trans	-75.7	154.2	-159.3	-121.4	54.9	0	0	0	115.8	G70	H68-G70 PolarHBondContact O-N 3.22Å; H68-G70 VanDerWaalsContact O-N 3.09Å
69	R	44.3	Very low	60.9	Low	244 Å²	244	86.4 Å²	86.4	92%	0.921	55%	0.547	S	S	*	.	S	Bend	trans	-33.7	105.7	166.9	-66.4	169.9	171.8	175.1	-4.3	112.8
70	G	36.3	Very low	60.8	Low	70 Å²	70	89 Å²	89	72%	0.722	57%	0.565	S	S	*	*	S	Bend	trans	172.9	66	-179.8	0	0	0	0	0	114.2	H68 G72	H68-G70 PolarHBondContact O-N 3.22Å; H68-G70 VanDerWaalsContact O-N 3.09Å; G70-G72 VanDerWaalsContact C-N 3.27Å; G70-G72 PolarHBondContact O-N 2.95Å
71	G	38.2	Very low	60.8	Low	98 Å²	98	88.3 Å²	88.3	100%	1.01	56%	0.561	S	S	*	*	S	Bend	trans	69.3	-1.1	159.7	0	0	0	0	0	119.2
72	G	34.4	Very low	60.9	Low	65 Å²	65	81.3 Å²	81.3	67%	0.67	54%	0.542	S	S	*	.			trans	-127.8	123.3	175.4	0	0	0	0	0	111.7	G70	G70-G72 VanDerWaalsContact C-N 3.27Å; G70-G72 PolarHBondContact O-N 2.95Å
73	G	32.5	Very low	60.9	Low	74 Å²	74	86.5 Å²	86.5	76%	0.763	56%	0.562	S	S	*	*			trans	-69.3	152.3	178.8	0	0	0	0	0	113	G75	G73-G75 PolarHBondContact O-N 2.81Å
74	A	39	Very low	61.4	Low	96 Å²	96	84 Å²	84	79%	0.793	55%	0.55	S	S	*	.	S	Bend	trans	-61.5	128.5	171.2	0	0	0	0	0	110.3
75	G	51.9	Low	62.2	Low	65 Å²	65	84.1 Å²	84.1	67%	0.67	55%	0.547	S	S	*	.			trans	125.1	43.2	-177.8	0	0	0	0	0	114.7	G73 T77	G73-G75 PolarHBondContact O-N 2.81Å; G75-T77 PolarHBondContact O-N 3.14Å
76	A	57.7	Low	63.7	Low	45 Å²	45	83.5 Å²	83.5	37%	0.372	54%	0.543	S	S	.	.			trans	-64.4	106.3	172.5	0	0	0	0	0	110.3	S78	A76-S78 VanDerWaalsContact C-N 3.25Å; A76-S78 PolarHBondContact O-N 2.92Å
77	T	72.4	Confident	65.5	Low	90 Å²	90	76.4 Å²	76.4	55%	0.552	53%	0.529	S	S	*	.	S	Bend	trans	-70.4	-24.1	175.9	51.2	0	0	0	0	112.2	G75 I95 P96	G75-T77 PolarHBondContact O-N 3.14Å; T77-I95 PolarHBondContact O-N 3.3Å; T77-P96 WeakPolarHBondContact O-CD 3.12Å
78	S	82.5	Confident	67.8	Low	50 Å²	50	75.2 Å²	75.2	35%	0.35	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	150.6	175.5	57.1	0	0	0	0	112.9	A76 I93	A76-S78 VanDerWaalsContact C-N 3.25Å; A76-S78 PolarHBondContact O-N 2.92Å; S78-I93 CarbonylContact C-O 3.5Å; S78-I93 VanDerWaalsContact CA-O 3.22Å; S78-I93 WeakPolarHBondContact CA-O 3.48Å
79	I	90.6	Very high	70	Confident	3 Å²	3	70.4 Å²	70.4	2%	0.015	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	115.7	178.8	-60.5	-179.6	0	0	0	109.5	Y58 I59 C62 L63 L81 L92 I93 I95	Y58-I79 HydrophobicContact CD1-CG2 3.86Å; Y58-I79 HydrophobicContact CE1-CG2 3.37Å; I59-I79 HydrophobicContact CB-CD1 4.3Å; I59-I79 HydrophobicContact CG1-CD1 4.38Å; I59-I79 HydrophobicContact CG1-CG2 4.42Å; I59-I79 HydrophobicContact CG2-CD1 3.89Å; C62-I79 HydrophobicContact CB-CD1 3.44Å; C62-I79 VanDerWaalsContact CB-CD1 3.44Å; C62-I79 HydrophobicContact CB-CG1 3.89Å; L63-I79 HydrophobicContact CG-CD1 4.46Å; I79-L81 HydrophobicContact CG2-CD2 4.28Å; I79-L81 PolarHBondContact O-N 2.71Å; I79-L92 CarbonylContact O-C 3.55Å; I79-L92 WeakPolarHBondContact O-CA 3.29Å; I79-I93 PolarHBondContact N-O 2.76Å; I79-I93 PolarHBondContact O-N 2.83Å; I79-I95 HydrophobicContact CB-CD1 4.45Å; I79-I95 HydrophobicContact CD1-CD1 3.4Å; I79-I95 VanDerWaalsContact CD1-CD1 3.4Å; I79-I95 HydrophobicContact CD1-CG1 3.96Å; I79-I95 HydrophobicContact CG1-CD1 3.75Å; I79-I95 HydrophobicContact CG1-CG1 3.88Å
80	C	90.3	Very high	72.1	Confident	55 Å²	55	60.3 Å²	60.3	37%	0.372	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	109.5	175.1	-61.3	0	0	0	0	110.5	G82 Q83	C80-G82 PolarHBondContact O-N 3.45Å; C80-Q83 HydrophobicContact CB-CG 4.1Å; C80-Q83 WeakPolarHBondContact O-CB 3.27Å; C80-Q83 PolarHBondContact O-N 3.09Å
81	L	90.7	Very high	74.7	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-66.9	-27.3	-173.9	-62	-174.3	0	0	0	113.2	Y51 V55 I59 I79 Q83 S84 D85 L88 Y91 I93	Y51-L81 HydrophobicContact CD1-CD1 4.39Å; Y51-L81 HydrophobicContact CE1-CD1 3.57Å; V55-L81 HydrophobicContact CG1-CD2 3.98Å; I59-L81 HydrophobicContact CD1-CD2 4.21Å; I59-L81 HydrophobicContact CG1-CD2 4.28Å; I79-L81 HydrophobicContact CG2-CD2 4.28Å; I79-L81 PolarHBondContact O-N 2.71Å; L81-Q83 PolarHBondContact O-N 2.99Å; L81-Q83 VanDerWaalsContact O-N 3.07Å; L81-S84 PolarHBondContact O-N 3.22Å; L81-S84 PolarHBondContact O-OG 3.35Å; L81-D85 PolarHBondContact O-N 3.16Å; L81-L88 HydrophobicContact CB-CB 3.61Å; L81-L88 HydrophobicContact CB-CD1 4.24Å; L81-L88 HydrophobicContact CD1-CB 4.48Å; L81-L88 HydrophobicContact CD1-CD1 4.18Å; L81-Y91 WeakPolarHBondContact CB-O 3.44Å; L81-Y91 PolarHBondContact N-O 2.92Å; L81-I93 HydrophobicContact CD1-CD1 4.08Å; L81-I93 HydrophobicContact CD1-CG1 3.98Å; L81-I93 HydrophobicContact CD2-CD1 3.71Å; L81-I93 HydrophobicContact CD2-CG1 3.94Å; L81-I93 HydrophobicContact CG-CD1 4.29Å; L81-I93 HydrophobicContact CG-CG1 4.08Å
82	G	88.3	Confident	77.2	Confident	21 Å²	21	56.3 Å²	56.3	22%	0.216	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-50.5	-27.5	171.7	0	0	0	0	0	115.9	C80 S84 D85 L88	C80-G82 PolarHBondContact O-N 3.45Å; G82-S84 PolarHBondContact O-N 3.42Å; G82-D85 WeakPolarHBondContact CA-O 3.38Å; G82-L88 PolarHBondContact N-O 3.46Å
83	Q	85.4	Confident	80	Confident	150 Å²	150	53.2 Å²	53.2	70%	0.701	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-73.2	-15.7	177.2	-62.2	-64.1	-33.5	0	0	113	Y58 C80 L81	Y58-Q83 HydrophobicContact CE1-CB 4.11Å; Y58-Q83 HydrophobicContact CE2-CB 4.37Å; Y58-Q83 WeakPolarHBondContact OH-CB 3.4Å; C80-Q83 HydrophobicContact CB-CG 4.1Å; C80-Q83 WeakPolarHBondContact O-CB 3.27Å; C80-Q83 PolarHBondContact O-N 3.09Å; L81-Q83 PolarHBondContact O-N 2.99Å; L81-Q83 VanDerWaalsContact O-N 3.07Å
84	S	90.9	Very high	82.6	Confident	12 Å²	12	52.1 Å²	52.1	8%	0.084	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-32.5	176.1	62.6	0	0	0	0	113.4	Q54 L81 G82	Q54-S84 PolarHBondContact NE2-O 3.38Å; L81-S84 PolarHBondContact O-N 3.22Å; L81-S84 PolarHBondContact O-OG 3.35Å; G82-S84 PolarHBondContact O-N 3.42Å
85	D	89.2	Confident	84.8	Confident	49 Å²	49	48.9 Å²	48.9	26%	0.262	31%	0.311	S	S	.	.			trans	-146.6	112.6	179	-175.8	-29.9	0	0	0	108.9	V55 L81 G82 S87 L88	V55-D85 HydrophobicContact CG2-CB 3.98Å; L81-D85 PolarHBondContact O-N 3.16Å; G82-D85 WeakPolarHBondContact CA-O 3.38Å; D85-S87 VanDerWaalsContact CG-OG 3.26Å; D85-S87 PolarHBondContact O-N 2.94Å; D85-S87 VanDerWaalsContact O-N 3.16Å; D85-S87 VanDerWaalsContact OD1-CB 3.3Å; D85-S87 WeakPolarHBondContact OD1-CB 3.21Å; D85-S87 PolarHBondContact OD1-N 2.88Å; D85-S87 PolarHBondContact OD1-OG 3.31Å; D85-S87 PolarHBondContact OD2-OG 3.49Å; D85-L88 HydrophobicContact CB-CB 4.35Å; D85-L88 HydrophobicContact CB-CD1 4.15Å; D85-L88 HydrophobicContact CB-CG 4.14Å; D85-L88 WeakPolarHBondContact O-CA 3.27Å; D85-L88 WeakPolarHBondContact O-CB 3.39Å; D85-L88 PolarHBondContact O-N 3.5Å
86	P	88.7	Confident	86.1	Confident	103 Å²	103	50.2 Å²	50.2	67%	0.669	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-58.8	-25.9	-178.9	-27.2	35.9	0	0	0	114.7	L88 S89	P86-L88 PolarHBondContact O-N 2.88Å; P86-S89 WeakPolarHBondContact O-CB 3.48Å; P86-S89 PolarHBondContact O-N 3.03Å; P86-S89 VanDerWaalsContact O-N 3.11Å; P86-S89 PolarHBondContact O-OG 2.79Å
87	S	89.3	Confident	87.2	Confident	85 Å²	85	51 Å²	51	59%	0.594	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-67.4	-23.2	174.7	73.9	0	0	0	0	112.2	D85	D85-S87 VanDerWaalsContact CG-OG 3.26Å; D85-S87 PolarHBondContact O-N 2.94Å; D85-S87 VanDerWaalsContact O-N 3.16Å; D85-S87 VanDerWaalsContact OD1-CB 3.3Å; D85-S87 WeakPolarHBondContact OD1-CB 3.21Å; D85-S87 PolarHBondContact OD1-N 2.88Å; D85-S87 PolarHBondContact OD1-OG 3.31Å; D85-S87 PolarHBondContact OD2-OG 3.49Å
88	L	91	Very high	88.1	Confident	30 Å²	30	50 Å²	50	16%	0.157	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-94.5	12.8	174.9	-56.2	-178.5	0	0	0	113	Y51 V55 L81 G82 D85 P86 P90 Y91	Y51-L88 HydrophobicContact CD1-CD1 4.21Å; Y51-L88 HydrophobicContact CE1-CD1 4.41Å; V55-L88 HydrophobicContact CG1-CD1 4.37Å; V55-L88 HydrophobicContact CG2-CD1 3.92Å; L81-L88 HydrophobicContact CB-CB 3.61Å; L81-L88 HydrophobicContact CB-CD1 4.24Å; L81-L88 HydrophobicContact CD1-CB 4.48Å; L81-L88 HydrophobicContact CD1-CD1 4.18Å; G82-L88 PolarHBondContact N-O 3.46Å; D85-L88 HydrophobicContact CB-CB 4.35Å; D85-L88 HydrophobicContact CB-CD1 4.15Å; D85-L88 HydrophobicContact CB-CG 4.14Å; D85-L88 WeakPolarHBondContact O-CA 3.27Å; D85-L88 WeakPolarHBondContact O-CB 3.39Å; D85-L88 PolarHBondContact O-N 3.5Å; P86-L88 PolarHBondContact O-N 2.88Å; L88-P90 VanDerWaalsContact C-CD 3.44Å; L88-Y91 HydrophobicContact CB-CD2 4.28Å; L88-Y91 HydrophobicContact CD2-CD2 4.03Å; L88-Y91 HydrophobicContact CD2-CE2 4.2Å; L88-Y91 WeakPolarHBondContact O-CB 3.28Å; L88-Y91 PolarHBondContact O-N 3.43Å
89	S	85.9	Confident	88.6	Confident	74 Å²	74	51.2 Å²	51.2	52%	0.517	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-38.8	177	50.9	0	0	0	0	116.6	P86 Y91	P86-S89 WeakPolarHBondContact O-CB 3.48Å; P86-S89 PolarHBondContact O-N 3.03Å; P86-S89 VanDerWaalsContact O-N 3.11Å; P86-S89 PolarHBondContact O-OG 2.79Å; S89-Y91 PolarHBondContact O-N 2.89Å
90	P	88.4	Confident	88.7	Confident	31 Å²	31	51.3 Å²	51.3	20%	0.201	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	0.9	176.3	32.3	-36.4	0	0	0	113.3	L88 R102 Q103	L88-P90 VanDerWaalsContact C-CD 3.44Å; P90-R102 HydrophobicContact CB-CG 4.35Å; P90-R102 CarbonylContact O-C 3.57Å; P90-R102 WeakPolarHBondContact O-CA 3.38Å; P90-Q103 WeakPolarHBondContact O-CG 3.39Å; P90-Q103 PolarHBondContact O-N 3.25Å
91	Y	91	Very high	88.6	Confident	53 Å²	53	52.6 Å²	52.6	21%	0.208	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.7	-176.2	-59.5	-88.4	0	0	0	112.6	L81 L88 S89 Q100 F101 R102	L81-Y91 WeakPolarHBondContact CB-O 3.44Å; L81-Y91 PolarHBondContact N-O 2.92Å; L88-Y91 HydrophobicContact CB-CD2 4.28Å; L88-Y91 HydrophobicContact CD2-CD2 4.03Å; L88-Y91 HydrophobicContact CD2-CE2 4.2Å; L88-Y91 WeakPolarHBondContact O-CB 3.28Å; L88-Y91 PolarHBondContact O-N 3.43Å; S89-Y91 PolarHBondContact O-N 2.89Å; Y91-Q100 HydrophobicContact CD1-CG 3.76Å; Y91-Q100 HydrophobicContact CG-CG 4.32Å; Y91-F101 WeakPolarHBondContact CA-O 3.49Å; Y91-R102 HydrophobicContact CD1-CB 3.85Å; Y91-R102 HydrophobicContact CD1-CG 3.71Å; Y91-R102 HydrophobicContact CE1-CB 3.81Å; Y91-R102 VanDerWaalsContact CE1-CD 3.43Å; Y91-R102 HydrophobicContact CE1-CG 3.44Å; Y91-R102 VanDerWaalsContact CE1-CG 3.44Å; Y91-R102 HydrophobicContact CE2-CG 4.47Å; Y91-R102 HydrophobicContact CG-CG 4.36Å; Y91-R102 WeakPolarHBondContact OH-CD 3.38Å; Y91-R102 PolarHBondContact OH-NE 3.26Å
92	L	91.7	Very high	88.6	Confident	31 Å²	31	55.7 Å²	55.7	16%	0.162	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.9	176.3	171.5	154.1	0	0	0	108.4	I79 Q100 F101	I79-L92 CarbonylContact O-C 3.55Å; I79-L92 WeakPolarHBondContact O-CA 3.29Å; L92-Q100 CarbonylContact O-C 3.6Å; L92-Q100 WeakPolarHBondContact O-CA 3.32Å; L92-F101 PolarHBondContact N-O 3.48Å; L92-F101 PolarHBondContact O-N 3.02Å
93	I	92.6	Very high	88.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	119.1	172	-58.4	-179.6	0	0	0	108.2	Y51 I59 S78 I79 L81 I95 K99 Q100 V111	Y51-I93 HydrophobicContact CE2-CD1 3.84Å; I59-I93 HydrophobicContact CD1-CD1 3.59Å; I59-I93 HydrophobicContact CG1-CD1 4.24Å; S78-I93 CarbonylContact C-O 3.5Å; S78-I93 VanDerWaalsContact CA-O 3.22Å; S78-I93 WeakPolarHBondContact CA-O 3.48Å; I79-I93 PolarHBondContact N-O 2.76Å; I79-I93 PolarHBondContact O-N 2.83Å; L81-I93 HydrophobicContact CD1-CD1 4.08Å; L81-I93 HydrophobicContact CD1-CG1 3.98Å; L81-I93 HydrophobicContact CD2-CD1 3.71Å; L81-I93 HydrophobicContact CD2-CG1 3.94Å; L81-I93 HydrophobicContact CG-CD1 4.29Å; L81-I93 HydrophobicContact CG-CG1 4.08Å; I93-I95 HydrophobicContact CB-CD1 4.35Å; I93-I95 HydrophobicContact CG2-CD1 3.75Å; I93-K99 CarbonylContact C-O 3.53Å; I93-K99 WeakPolarHBondContact CA-O 3.38Å; I93-Q100 HydrophobicContact CG1-CB 4.47Å; I93-V111 HydrophobicContact CD1-CG1 4.22Å; I93-V111 HydrophobicContact CD1-CG2 4.36Å; I93-V111 HydrophobicContact CG1-CG2 4.39Å; I93-V111 HydrophobicContact CG2-CB 4.5Å; I93-V111 HydrophobicContact CG2-CG1 4.24Å; I93-V111 HydrophobicContact CG2-CG2 4.41Å
94	D	86.4	Confident	87.7	Confident	52 Å²	52	56.6 Å²	56.6	28%	0.278	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	121	162	179.8	77.3	0	0	0	108.8	S97 L98 K99	D94-S97 WeakPolarHBondContact OD2-CB 3.34Å; D94-S97 PolarHBondContact OD2-N 3.08Å; D94-S97 PolarHBondContact OD2-OG 3.3Å; D94-L98 WeakPolarHBondContact O-CA 3.25Å; D94-L98 PolarHBondContact O-N 2.91Å; D94-L98 VanDerWaalsContact O-N 3.13Å; D94-K99 PolarHBondContact N-O 3.22Å; D94-K99 PolarHBondContact O-N 3.35Å; D94-K99 VanDerWaalsContact O-N 3.13Å
95	I	84.9	Confident	87.1	Confident	28 Å²	28	60.1 Å²	60.1	14%	0.144	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-43.6	-172.2	-59.5	-59.3	0	0	0	112.4	L63 T77 I79 I93 S97 L98	L63-I95 HydrophobicContact CD2-CB 4.45Å; L63-I95 HydrophobicContact CD2-CD1 4.18Å; L63-I95 HydrophobicContact CD2-CG1 4.19Å; L63-I95 HydrophobicContact CD2-CG2 3.46Å; L63-I95 VanDerWaalsContact CD2-CG2 3.46Å; T77-I95 PolarHBondContact O-N 3.3Å; I79-I95 HydrophobicContact CB-CD1 4.45Å; I79-I95 HydrophobicContact CD1-CD1 3.4Å; I79-I95 VanDerWaalsContact CD1-CD1 3.4Å; I79-I95 HydrophobicContact CD1-CG1 3.96Å; I79-I95 HydrophobicContact CG1-CD1 3.75Å; I79-I95 HydrophobicContact CG1-CG1 3.88Å; I93-I95 HydrophobicContact CB-CD1 4.35Å; I93-I95 HydrophobicContact CG2-CD1 3.75Å; I95-S97 PolarHBondContact O-N 3.4Å; I95-L98 WeakPolarHBondContact O-CD2 3.48Å; I95-L98 PolarHBondContact O-N 2.63Å
96	P	79.4	Confident	86.5	Confident	93 Å²	93	59.6 Å²	59.6	60%	0.604	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-42.8	176.4	-26.8	36	0	0	0	114	T77	T77-P96 WeakPolarHBondContact O-CD 3.12Å
97	S	81.4	Confident	86.3	Confident	62 Å²	62	58.8 Å²	58.8	43%	0.434	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-8.1	-179.5	68.6	0	0	0	0	114.5	D94 I95 K99	D94-S97 WeakPolarHBondContact OD2-CB 3.34Å; D94-S97 PolarHBondContact OD2-N 3.08Å; D94-S97 PolarHBondContact OD2-OG 3.3Å; I95-S97 PolarHBondContact O-N 3.4Å; S97-K99 VanDerWaalsContact C-N 3.33Å; S97-K99 PolarHBondContact O-N 2.97Å; S97-K99 WeakPolarHBondContact OG-CB 3.25Å; S97-K99 WeakPolarHBondContact OG-CG 3.11Å
98	L	91.5	Very high	86.3	Confident	67 Å²	67	58.6 Å²	58.6	35%	0.351	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	55	-169	-62	174.5	0	0	0	111.3	W39 D94 I95 V111	W39-L98 HydrophobicContact CH2-CD2 3.96Å; W39-L98 HydrophobicContact CZ3-CD2 3.82Å; D94-L98 WeakPolarHBondContact O-CA 3.25Å; D94-L98 PolarHBondContact O-N 2.91Å; D94-L98 VanDerWaalsContact O-N 3.13Å; I95-L98 WeakPolarHBondContact O-CD2 3.48Å; I95-L98 PolarHBondContact O-N 2.63Å; L98-V111 WeakPolarHBondContact CB-O 3.44Å; L98-V111 WeakPolarHBondContact O-CA 3.49Å; L98-V111 WeakPolarHBondContact O-CB 3.44Å; L98-V111 PolarHBondContact O-N 2.9Å
99	K	92.2	Very high	86.4	Confident	77 Å²	77	58.8 Å²	58.8	34%	0.335	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.9	177.9	-64.4	-57.2	-177.3	177.1	0	111.5	I93 D94 S97 T108 R109 S110	I93-K99 CarbonylContact C-O 3.53Å; I93-K99 WeakPolarHBondContact CA-O 3.38Å; D94-K99 PolarHBondContact N-O 3.22Å; D94-K99 PolarHBondContact O-N 3.35Å; D94-K99 VanDerWaalsContact O-N 3.13Å; S97-K99 VanDerWaalsContact C-N 3.33Å; S97-K99 PolarHBondContact O-N 2.97Å; S97-K99 WeakPolarHBondContact OG-CB 3.25Å; S97-K99 WeakPolarHBondContact OG-CG 3.11Å; K99-T108 HydrophobicContact CB-CG2 3.76Å; K99-T108 HydrophobicContact CD-CG2 4.18Å; K99-T108 HydrophobicContact CG-CG2 4.03Å; K99-R109 CarbonylContact C-O 3.59Å; K99-R109 VanDerWaalsContact CA-O 3.32Å; K99-R109 WeakPolarHBondContact CA-O 3.22Å; K99-S110 PolarHBondContact NZ-OG 3.38Å
100	Q	93.9	Very high	86.8	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.019	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123.8	164.4	-178.1	-165.4	59.2	0	0	108.2	Y51 Y91 L92 I93 T108 R109 V111	Y51-Q100 VanDerWaalsContact OH-CD 3.23Å; Y51-Q100 PolarHBondContact OH-NE2 3.28Å; Y91-Q100 HydrophobicContact CD1-CG 3.76Å; Y91-Q100 HydrophobicContact CG-CG 4.32Å; L92-Q100 CarbonylContact O-C 3.6Å; L92-Q100 WeakPolarHBondContact O-CA 3.32Å; I93-Q100 HydrophobicContact CG1-CB 4.47Å; Q100-T108 CarbonylContact O-C 3.27Å; Q100-T108 VanDerWaalsContact O-CA 3.31Å; Q100-T108 WeakPolarHBondContact O-CA 3.35Å; Q100-R109 HydrophobicContact CB-CB 4.35Å; Q100-R109 PolarHBondContact N-O 2.9Å; Q100-R109 PolarHBondContact O-N 3.45Å; Q100-V111 HydrophobicContact CB-CG2 3.58Å
101	F	88	Confident	87.2	Confident	82 Å²	82	55.5 Å²	55.5	36%	0.36	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.1	173.6	-178.4	-106.2	0	0	0	110.1	Y91 L92 Q103 G106	Y91-F101 WeakPolarHBondContact CA-O 3.49Å; L92-F101 PolarHBondContact N-O 3.48Å; L92-F101 PolarHBondContact O-N 3.02Å; F101-Q103 HydrophobicContact CD1-CG 4.15Å; F101-Q103 HydrophobicContact CE1-CB 4.49Å; F101-Q103 HydrophobicContact CE1-CG 4.34Å; F101-G106 WeakPolarHBondContact CE2-O 3.46Å
102	R	89.6	Confident	87.4	Confident	65 Å²	65	56.4 Å²	56.4	25%	0.245	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	111.8	173.1	-157.6	-179	176.5	-95.6	-18.2	109.5	P90 Y91 D104 T105 G106 K107	P90-R102 HydrophobicContact CB-CG 4.35Å; P90-R102 CarbonylContact O-C 3.57Å; P90-R102 WeakPolarHBondContact O-CA 3.38Å; Y91-R102 HydrophobicContact CD1-CB 3.85Å; Y91-R102 HydrophobicContact CD1-CG 3.71Å; Y91-R102 HydrophobicContact CE1-CB 3.81Å; Y91-R102 VanDerWaalsContact CE1-CD 3.43Å; Y91-R102 HydrophobicContact CE1-CG 3.44Å; Y91-R102 VanDerWaalsContact CE1-CG 3.44Å; Y91-R102 HydrophobicContact CE2-CG 4.47Å; Y91-R102 HydrophobicContact CG-CG 4.36Å; Y91-R102 WeakPolarHBondContact OH-CD 3.38Å; Y91-R102 PolarHBondContact OH-NE 3.26Å; R102-D104 WeakPolarHBondContact CG-OD1 3.4Å; R102-D104 IonicContact CZ-OD1 2.82Å; R102-D104 IonicContact CZ-OD2 3.53Å; R102-D104 IonicContact NE-OD1 3.31Å; R102-D104 IonicContact NH1-OD1 2.71Å; R102-D104 PolarHBondContact NH1-OD1 2.85Å; R102-D104 IonicContact NH1-OD2 2.73Å; R102-D104 PolarHBondContact NH1-OD2 3.44Å; R102-D104 IonicContact NH2-OD1 2.72Å; R102-D104 IonicContact NH2-OD2 3.55Å; R102-D104 PolarHBondContact NH2-OD2 2.91Å; R102-D104 PolarHBondContact O-N 3.17Å; R102-T105 WeakPolarHBondContact CD-OG1 3.48Å; R102-T105 VanDerWaalsContact NH1-CG2 3.3Å; R102-T105 PolarHBondContact NH1-OG1 3.43Å; R102-T105 PolarHBondContact O-N 3.32Å; R102-G106 WeakPolarHBondContact O-CA 3.48Å; R102-G106 PolarHBondContact O-N 3.16Å; R102-K107 HydrophobicContact CB-CB 4.31Å; R102-K107 WeakPolarHBondContact CB-O 2.95Å; R102-K107 PolarHBondContact N-O 2.82Å
103	Q	77.9	Confident	87.4	Confident	93 Å²	93	59.2 Å²	59.2	44%	0.435	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-29.8	-163.6	-66	178.8	-3.1	0	0	115	P90 F101	P90-Q103 WeakPolarHBondContact O-CG 3.39Å; P90-Q103 PolarHBondContact O-N 3.25Å; F101-Q103 HydrophobicContact CD1-CG 4.15Å; F101-Q103 HydrophobicContact CE1-CB 4.49Å; F101-Q103 HydrophobicContact CE1-CG 4.34Å
104	D	76.7	Confident	87.4	Confident	98 Å²	98	60.1 Å²	60.1	52%	0.524	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-29.4	-178.1	66.1	-18.9	0	0	0	113.6	R102	R102-D104 WeakPolarHBondContact CG-OD1 3.4Å; R102-D104 IonicContact CZ-OD1 2.82Å; R102-D104 IonicContact CZ-OD2 3.53Å; R102-D104 IonicContact NE-OD1 3.31Å; R102-D104 IonicContact NH1-OD1 2.71Å; R102-D104 PolarHBondContact NH1-OD1 2.85Å; R102-D104 IonicContact NH1-OD2 2.73Å; R102-D104 PolarHBondContact NH1-OD2 3.44Å; R102-D104 IonicContact NH2-OD1 2.72Å; R102-D104 IonicContact NH2-OD2 3.55Å; R102-D104 PolarHBondContact NH2-OD2 2.91Å; R102-D104 PolarHBondContact O-N 3.17Å
105	T	80.1	Confident	87.6	Confident	86 Å²	86	61.6 Å²	61.6	53%	0.528	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-6.9	-166.5	38.7	0	0	0	0	112.9	R102 K107	R102-T105 WeakPolarHBondContact CD-OG1 3.48Å; R102-T105 VanDerWaalsContact NH1-CG2 3.3Å; R102-T105 PolarHBondContact NH1-OG1 3.43Å; R102-T105 PolarHBondContact O-N 3.32Å; T105-K107 PolarHBondContact O-N 3.24Å; T105-K107 VanDerWaalsContact O-N 3.1Å
106	G	76.8	Confident	87.6	Confident	38 Å²	38	61.5 Å²	61.5	39%	0.392	32%	0.322	S	S	.	.			trans	68.8	0.7	-175.8	0	0	0	0	0	114.5	F101 R102 T108	F101-G106 WeakPolarHBondContact CE2-O 3.46Å; R102-G106 WeakPolarHBondContact O-CA 3.48Å; R102-G106 PolarHBondContact O-N 3.16Å; G106-T108 PolarHBondContact O-N 3.35Å; G106-T108 PolarHBondContact O-OG1 2.77Å
107	K	84.3	Confident	87.8	Confident	86 Å²	86	58.3 Å²	58.3	37%	0.374	30%	0.303	S	S	.	.			trans	-67.6	123.5	-172.5	-166.7	170.1	-168	172.6	0	110	D44 R102 T105	D44-K107 WeakPolarHBondContact OD1-CE 3.23Å; D44-K107 IonicContact OD1-NZ 3.43Å; D44-K107 PolarHBondContact OD1-NZ 2.91Å; D44-K107 IonicContact OD2-NZ 2.76Å; D44-K107 PolarHBondContact OD2-NZ 2.79Å; R102-K107 HydrophobicContact CB-CB 4.31Å; R102-K107 WeakPolarHBondContact CB-O 2.95Å; R102-K107 PolarHBondContact N-O 2.82Å; T105-K107 PolarHBondContact O-N 3.24Å; T105-K107 VanDerWaalsContact O-N 3.1Å
108	T	87.6	Confident	87.7	Confident	80 Å²	80	59.4 Å²	59.4	49%	0.491	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135	-177	-55.5	0	0	0	0	110.1	K99 Q100 G106	K99-T108 HydrophobicContact CB-CG2 3.76Å; K99-T108 HydrophobicContact CD-CG2 4.18Å; K99-T108 HydrophobicContact CG-CG2 4.03Å; Q100-T108 CarbonylContact O-C 3.27Å; Q100-T108 VanDerWaalsContact O-CA 3.31Å; Q100-T108 WeakPolarHBondContact O-CA 3.35Å; G106-T108 PolarHBondContact O-N 3.35Å; G106-T108 PolarHBondContact O-OG1 2.77Å
109	R	94.6	Very high	86.7	Confident	35 Å²	35	60.8 Å²	60.8	13%	0.132	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147	179.9	-59.6	-169.4	173.7	-70.3	3.2	110.2	W41 Q42 D44 K99 Q100	W41-R109 VanDerWaalsContact CE3-CD 3.42Å; Q42-R109 WeakPolarHBondContact O-CB 3.28Å; Q42-R109 WeakPolarHBondContact O-CD 3.38Å; Q42-R109 PolarHBondContact O-NH1 2.92Å; D44-R109 VanDerWaalsContact CG-NH1 3.25Å; D44-R109 VanDerWaalsContact CG-NH2 3.28Å; D44-R109 IonicContact OD1-CZ 3.79Å; D44-R109 IonicContact OD1-NH1 3.66Å; D44-R109 PolarHBondContact OD1-NH1 3.3Å; D44-R109 IonicContact OD1-NH2 2.72Å; D44-R109 PolarHBondContact OD1-NH2 3.07Å; D44-R109 IonicContact OD2-CZ 3.54Å; D44-R109 IonicContact OD2-NH1 3.18Å; D44-R109 IonicContact OD2-NH2 2.75Å; D44-R109 PolarHBondContact OD2-NH2 3.18Å; K99-R109 CarbonylContact C-O 3.59Å; K99-R109 VanDerWaalsContact CA-O 3.32Å; K99-R109 WeakPolarHBondContact CA-O 3.22Å; Q100-R109 HydrophobicContact CB-CB 4.35Å; Q100-R109 PolarHBondContact N-O 2.9Å; Q100-R109 PolarHBondContact O-N 3.45Å
110	S	94.4	Very high	85.4	Confident	28 Å²	28	58.7 Å²	58.7	20%	0.196	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	141.8	171.4	-53.5	0	0	0	0	110.3	W41 Q42 K99	W41-S110 CarbonylContact C-O 3.51Å; W41-S110 VanDerWaalsContact CA-O 3.31Å; W41-S110 WeakPolarHBondContact CA-O 3.25Å; Q42-S110 PolarHBondContact N-O 3.45Å; Q42-S110 PolarHBondContact OE1-OG 2.7Å; Q42-S110 VanDerWaalsContact OE1-OG 3.12Å; K99-S110 PolarHBondContact NZ-OG 3.38Å
111	V	96.3	Very high	83.9	Confident	7 Å²	7	58.8 Å²	58.8	4%	0.042	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	152.3	170.4	170.1	0	0	0	0	108	W39 E40 W41 Y51 I93 L98 Q100	W39-V111 HydrophobicContact CE3-CG1 3.53Å; W39-V111 HydrophobicContact CZ3-CG1 3.76Å; E40-V111 CarbonylContact O-C 3.58Å; E40-V111 VanDerWaalsContact O-CA 3.27Å; E40-V111 WeakPolarHBondContact O-CA 3.39Å; W41-V111 HydrophobicContact CB-CG2 4.25Å; Y51-V111 HydrophobicContact CE2-CG1 4.39Å; Y51-V111 HydrophobicContact CE2-CG2 4.34Å; I93-V111 HydrophobicContact CD1-CG1 4.22Å; I93-V111 HydrophobicContact CD1-CG2 4.36Å; I93-V111 HydrophobicContact CG1-CG2 4.39Å; I93-V111 HydrophobicContact CG2-CB 4.5Å; I93-V111 HydrophobicContact CG2-CG1 4.24Å; I93-V111 HydrophobicContact CG2-CG2 4.41Å; L98-V111 WeakPolarHBondContact CB-O 3.44Å; L98-V111 WeakPolarHBondContact O-CA 3.49Å; L98-V111 WeakPolarHBondContact O-CB 3.44Å; L98-V111 PolarHBondContact O-N 2.9Å; Q100-V111 HydrophobicContact CB-CG2 3.58Å
112	R	94.2	Very high	82.8	Confident	72 Å²	72	55.1 Å²	55.1	27%	0.272	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	158.3	169	72.5	-174.4	-174.4	-158.9	-4	111.4	E40 W48 S114	E40-R112 HydrophobicContact CB-CG 4.17Å; E40-R112 PolarHBondContact N-O 3.39Å; E40-R112 PolarHBondContact O-N 2.83Å; E40-R112 IonicContact OE1-NH2 2.73Å; E40-R112 IonicContact OE2-CZ 3.76Å; E40-R112 IonicContact OE2-NE 3.72Å; E40-R112 PolarHBondContact OE2-NE 2.71Å; E40-R112 IonicContact OE2-NH2 3.65Å; E40-R112 PolarHBondContact OE2-NH2 2.99Å; W48-R112 VanDerWaalsContact CB-NH2 3.34Å; W48-R112 HydrophobicContact CD2-CG 4.4Å; W48-R112 VanDerWaalsContact CD2-CZ 3.43Å; W48-R112 VanDerWaalsContact CE2-NH1 3.32Å; W48-R112 HydrophobicContact CE3-CG 3.73Å; W48-R112 VanDerWaalsContact CG-NH1 3.34Å; W48-R112 HydrophobicContact CH2-CB 4.04Å; W48-R112 HydrophobicContact CH2-CG 3.98Å; W48-R112 HydrophobicContact CZ3-CB 3.87Å; W48-R112 HydrophobicContact CZ3-CG 3.5Å; R112-S114 PolarHBondContact NE-OG 2.65Å
113	R	93.3	Very high	81.5	Confident	91 Å²	91	52.7 Å²	52.7	34%	0.343	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.3	167.1	-173.6	-175.7	-173.2	-111.3	8.8	108.8	W39 E60	W39-R113 HydrophobicContact CD2-CB 4.19Å; W39-R113 HydrophobicContact CD2-CG 4.46Å; W39-R113 HydrophobicContact CE3-CB 4.4Å; W39-R113 HydrophobicContact CH2-CB 3.95Å; W39-R113 HydrophobicContact CZ2-CB 3.67Å; W39-R113 HydrophobicContact CZ2-CG 3.82Å; W39-R113 HydrophobicContact CZ3-CB 4.31Å; E60-R113 IonicContact OE1-CZ 2.98Å; E60-R113 IonicContact OE1-NE 3.55Å; E60-R113 PolarHBondContact OE1-NE 2.66Å; E60-R113 IonicContact OE1-NH2 3.59Å; E60-R113 IonicContact OE2-CZ 2.83Å; E60-R113 IonicContact OE2-NE 2.74Å; E60-R113 PolarHBondContact OE2-NE 3.22Å; E60-R113 IonicContact OE2-NH2 2.73Å; E60-R113 PolarHBondContact OE2-NH2 3.06Å
114	S	91.6	Very high	81	Confident	19 Å²	19	52.1 Å²	52.1	13%	0.133	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	143.3	177.8	-68	0	0	0	0	110.4	V38 E40 R112 F116	V38-S114 PolarHBondContact N-O 3.41Å; V38-S114 PolarHBondContact O-N 3.23Å; E40-S114 WeakPolarHBondContact OE2-CB 3.24Å; E40-S114 PolarHBondContact OE2-OG 2.95Å; R112-S114 PolarHBondContact NE-OG 2.65Å; S114-F116 VanDerWaalsContact CB-CE2 3.41Å
115	L	90.3	Very high	80.7	Confident	83 Å²	83	47.4 Å²	47.4	44%	0.435	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132	179	-64.8	-177.2	0	0	0	110.9	M35 I36 A37 A199	M35-L115 HydrophobicContact CE-CB 3.85Å; I36-L115 WeakPolarHBondContact O-CA 3.39Å; A37-L115 HydrophobicContact CB-CD2 4.09Å; L115-A199 HydrophobicContact CD2-CB 3.48Å; L115-A199 VanDerWaalsContact CD2-CB 3.48Å
116	F	86.3	Confident	80.9	Confident	25 Å²	25	43.6 Å²	43.6	11%	0.11	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	157.7	177.4	-59.3	-86.8	0	0	0	110.1	M35 I36 V38 S114 L122 T142 R143 I146	M35-F116 CarbonylContact C-O 3.58Å; M35-F116 VanDerWaalsContact CA-O 3.27Å; M35-F116 WeakPolarHBondContact CA-O 3.33Å; M35-F116 VanDerWaalsContact CE-C 3.44Å; I36-F116 HydrophobicContact CD1-CB 4.33Å; I36-F116 HydrophobicContact CG1-CB 4.05Å; I36-F116 WeakPolarHBondContact CG1-O 3.44Å; I36-F116 PolarHBondContact N-O 2.85Å; I36-F116 PolarHBondContact O-N 3.25Å; I36-F116 VanDerWaalsContact O-N 3.13Å; V38-F116 HydrophobicContact CB-CD2 4.04Å; V38-F116 HydrophobicContact CB-CE2 3.97Å; V38-F116 HydrophobicContact CG2-CD2 3.65Å; V38-F116 HydrophobicContact CG2-CE2 4.04Å; S114-F116 VanDerWaalsContact CB-CE2 3.41Å; F116-L122 HydrophobicContact CB-CD1 4.35Å; F116-L122 HydrophobicContact CD2-CD1 4.36Å; F116-L122 HydrophobicContact CG-CD1 4.21Å; F116-T142 HydrophobicContact CD1-CG2 4.48Å; F116-T142 HydrophobicContact CD2-CG2 3.86Å; F116-T142 HydrophobicContact CE1-CG2 4.05Å; F116-T142 HydrophobicContact CE2-CG2 3.34Å; F116-T142 HydrophobicContact CG-CG2 4.4Å; F116-T142 HydrophobicContact CZ-CG2 3.45Å; F116-T142 VanDerWaalsContact CZ-CG2 3.45Å; F116-R143 HydrophobicContact CE1-CG 3.99Å; F116-I146 HydrophobicContact CD1-CD1 3.52Å; F116-I146 HydrophobicContact CE1-CD1 3.98Å; F116-I146 HydrophobicContact CG-CD1 4.17Å
117	A	82.9	Confident	81.4	Confident	27 Å²	27	43.2 Å²	43.2	22%	0.223	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	142.8	176.5	0	0	0	0	0	110.3	M35 S119 S120	M35-A117 HydrophobicContact SD-CB 4.32Å; A117-S119 PolarHBondContact O-N 3.43Å; A117-S119 VanDerWaalsContact O-N 3.17Å; A117-S120 VanDerWaalsContact O-CB 3.3Å; A117-S120 WeakPolarHBondContact O-CB 3.46Å; A117-S120 PolarHBondContact O-N 2.87Å; A117-S120 PolarHBondContact O-OG 3.16Å
118	Q	79.6	Confident	81.8	Confident	84 Å²	84	39.1 Å²	39.1	39%	0.393	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.6	178.8	-170.4	179.7	8.6	0	0	112.3	P34 I36 S120 G123 L198	P34-Q118 HydrophobicContact CB-CB 4.29Å; P34-Q118 HydrophobicContact CG-CB 4.08Å; P34-Q118 VanDerWaalsContact CG-OE1 3.24Å; P34-Q118 WeakPolarHBondContact O-CB 3.49Å; P34-Q118 PolarHBondContact O-N 3.16Å; I36-Q118 HydrophobicContact CG2-CB 4.13Å; I36-Q118 HydrophobicContact CG2-CG 4.07Å; Q118-S120 PolarHBondContact O-N 3.44Å; Q118-G123 WeakPolarHBondContact O-CA 3.35Å; Q118-L198 HydrophobicContact CG-CD2 4.4Å
119	S	71.3	Confident	82.1	Confident	97 Å²	97	36.1 Å²	36.1	68%	0.678	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-10.5	176.3	52.6	0	0	0	0	114.9	A117 G121	A117-S119 PolarHBondContact O-N 3.43Å; A117-S119 VanDerWaalsContact O-N 3.17Å; S119-G121 PolarHBondContact O-N 3.32Å
120	S	64.6	Low	82.1	Confident	32 Å²	32	37 Å²	37	22%	0.224	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	22.4	-172.9	-51.5	0	0	0	0	115.7	A117 Q118 L122	A117-S120 VanDerWaalsContact O-CB 3.3Å; A117-S120 WeakPolarHBondContact O-CB 3.46Å; A117-S120 PolarHBondContact O-N 2.87Å; A117-S120 PolarHBondContact O-OG 3.16Å; Q118-S120 PolarHBondContact O-N 3.44Å; S120-L122 PolarHBondContact O-N 3.3Å
121	G	62.4	Low	82.1	Confident	7 Å²	7	36.4 Å²	36.4	7%	0.072	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	-37.8	-175.7	0	0	0	0	0	114.8	S119 G123 S124	S119-G121 PolarHBondContact O-N 3.32Å; G121-G123 PolarHBondContact O-N 2.97Å; G121-S124 WeakPolarHBondContact O-CB 3.46Å; G121-S124 PolarHBondContact O-N 3.47Å
122	L	64.8	Low	81.7	Confident	4 Å²	4	37.6 Å²	37.6	2%	0.021	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-57.2	-28.6	171	-66.4	172.7	0	0	0	113	I36 V38 F116 S120 S124 G125 V126 T142 I146 Y196	I36-L122 HydrophobicContact CD1-CB 3.46Å; I36-L122 VanDerWaalsContact CD1-CB 3.46Å; I36-L122 HydrophobicContact CD1-CD1 4.37Å; V38-L122 HydrophobicContact CG2-CD1 4.41Å; F116-L122 HydrophobicContact CB-CD1 4.35Å; F116-L122 HydrophobicContact CD2-CD1 4.36Å; F116-L122 HydrophobicContact CG-CD1 4.21Å; S120-L122 PolarHBondContact O-N 3.3Å; L122-S124 PolarHBondContact O-N 3.49Å; L122-G125 PolarHBondContact O-N 2.9Å; L122-V126 WeakPolarHBondContact CD2-O 3.49Å; L122-T142 HydrophobicContact CD1-CG2 3.32Å; L122-T142 HydrophobicContact CD2-CG2 4.3Å; L122-T142 HydrophobicContact CG-CG2 4.47Å; L122-I146 HydrophobicContact CD1-CD1 3.55Å; L122-I146 HydrophobicContact CD1-CG1 3.44Å; L122-I146 VanDerWaalsContact CD1-CG1 3.44Å; L122-I146 HydrophobicContact CG-CD1 4.38Å; L122-I146 HydrophobicContact CG-CG1 3.72Å; L122-Y196 HydrophobicContact CB-CD2 4.26Å; L122-Y196 HydrophobicContact CD2-CE2 4.13Å; L122-Y196 WeakPolarHBondContact O-CD2 3.36Å
123	G	60.8	Low	81.2	Confident	14 Å²	14	40 Å²	40	14%	0.144	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-60.2	-13.6	174.9	0	0	0	0	0	114.1	Q118 G121	Q118-G123 WeakPolarHBondContact O-CA 3.35Å; G121-G123 PolarHBondContact O-N 2.97Å
124	S	67.6	Low	80.6	Confident	81 Å²	81	44.1 Å²	44.1	57%	0.566	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-101.9	9.3	173.6	-55.1	0	0	0	0	113.5	G121 L122 V126	G121-S124 WeakPolarHBondContact O-CB 3.46Å; G121-S124 PolarHBondContact O-N 3.47Å; L122-S124 PolarHBondContact O-N 3.49Å; S124-V126 VanDerWaalsContact C-N 3.29Å; S124-V126 PolarHBondContact O-N 3.21Å
125	G	72.1	Confident	80.1	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	13	-179.9	0	0	0	0	0	114.8	L122 N193	L122-G125 PolarHBondContact O-N 2.9Å; G125-N193 PolarHBondContact O-N 3.09Å
126	V	83.6	Confident	80	Confident	6 Å²	6	44.6 Å²	44.6	4%	0.036	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	135.5	-176.3	-176.6	0	0	0	0	110.8	L122 S124 E149 R190 Q191	L122-V126 WeakPolarHBondContact CD2-O 3.49Å; S124-V126 VanDerWaalsContact C-N 3.29Å; S124-V126 PolarHBondContact O-N 3.21Å; V126-E149 HydrophobicContact CG1-CG 4.19Å; V126-E149 WeakPolarHBondContact CG1-OE2 3.15Å; V126-R190 HydrophobicContact CG1-CG 3.87Å; V126-R190 VanDerWaalsContact CG1-CZ 3.5Å; V126-Q191 WeakPolarHBondContact CA-O 3.48Å
127	Y	86.4	Confident	80.2	Confident	30 Å²	30	47 Å²	47	12%	0.118	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	163.7	175.3	67.5	-69.2	0	0	0	110.4	E129 P139 Q191 N193	Y127-E129 HydrophobicContact CD2-CG 3.9Å; Y127-E129 HydrophobicContact CE2-CG 3.59Å; Y127-E129 WeakPolarHBondContact CE2-OE1 3.45Å; Y127-P139 HydrophobicContact CD2-CB 4.48Å; Y127-Q191 HydrophobicContact CD1-CB 4.03Å; Y127-Q191 HydrophobicContact CE1-CB 3.4Å; Y127-Q191 VanDerWaalsContact CE1-CB 3.4Å; Y127-Q191 HydrophobicContact CE2-CB 4.18Å; Y127-Q191 PolarHBondContact N-O 3.25Å; Y127-Q191 PolarHBondContact O-N 3.48Å; Y127-N193 HydrophobicContact CD1-CB 4.49Å; Y127-N193 HydrophobicContact CE1-CB 3.91Å; Y127-N193 WeakPolarHBondContact CE1-ND2 3.24Å; Y127-N193 VanDerWaalsContact CZ-ND2 3.29Å; Y127-N193 PolarHBondContact OH-ND2 3.31Å
128	W	92.2	Very high	80.6	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.6	-175.1	-71.9	78.9	0	0	0	110.8	Y140 S145 L148 E149 Y152 L172 L175 V188 R189 R190	W128-Y140 HydrophobicContact CB-CD2 3.82Å; W128-Y140 HydrophobicContact CB-CE2 4.47Å; W128-Y140 WeakPolarHBondContact O-CD2 3.41Å; W128-Y140 PolarHBondContact O-N 3.36Å; W128-S145 PolarHBondContact N-OG 3.35Å; W128-L148 HydrophobicContact CB-CB 4.43Å; W128-L148 HydrophobicContact CB-CD1 3.76Å; W128-L148 HydrophobicContact CD2-CB 3.87Å; W128-L148 HydrophobicContact CD2-CD1 4.28Å; W128-L148 HydrophobicContact CE3-CD1 4.47Å; W128-L148 HydrophobicContact CG-CB 3.8Å; W128-L148 HydrophobicContact CG-CD1 3.99Å; W128-E149 PolarHBondContact NE1-OE2 3.5Å; W128-E149 VanDerWaalsContact NE1-OE2 3.12Å; W128-Y152 AromaticContact CH2-CD2 3.78Å; W128-Y152 HydrophobicContact CH2-CD2 3.78Å; W128-Y152 HydrophobicContact CH2-CE2 4.37Å; W128-Y152 AromaticContact CH2-CG 3.99Å; W128-Y152 HydrophobicContact CH2-CG 3.99Å; W128-Y152 HydrophobicContact CZ2-CD1 4.24Å; W128-Y152 HydrophobicContact CZ2-CD2 4.03Å; W128-Y152 AromaticContact CZ2-CG 3.73Å; W128-Y152 HydrophobicContact CZ2-CG 3.73Å; W128-L172 HydrophobicContact CH2-CD2 3.64Å; W128-L172 HydrophobicContact CZ2-CD2 4.29Å; W128-L172 HydrophobicContact CZ3-CD2 3.93Å; W128-L175 HydrophobicContact CH2-CD2 4.05Å; W128-L175 HydrophobicContact CZ3-CD2 3.78Å; W128-V188 HydrophobicContact CE3-CG1 3.56Å; W128-V188 HydrophobicContact CZ3-CG1 3.89Å; W128-R189 WeakPolarHBondContact CA-O 3.35Å; W128-R190 HydrophobicContact CD2-CB 4.01Å; W128-R190 HydrophobicContact CD2-CG 4.26Å; W128-R190 HydrophobicContact CE3-CB 4.03Å; W128-R190 HydrophobicContact CH2-CB 3.8Å; W128-R190 HydrophobicContact CH2-CG 4.3Å; W128-R190 HydrophobicContact CZ2-CB 3.74Å; W128-R190 HydrophobicContact CZ2-CG 3.73Å; W128-R190 HydrophobicContact CZ3-CB 3.94Å
129	E	94.4	Very high	81.2	Confident	17 Å²	17	44.3 Å²	44.3	8%	0.079	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	157.1	-179.1	-52.4	-177	123.7	0	0	111.1	Y127 W137 T138 P139 V188 R189	Y127-E129 HydrophobicContact CD2-CG 3.9Å; Y127-E129 HydrophobicContact CE2-CG 3.59Å; Y127-E129 WeakPolarHBondContact CE2-OE1 3.45Å; E129-W137 HydrophobicContact CB-CB 4.41Å; E129-W137 HydrophobicContact CB-CE3 4.16Å; E129-T138 CarbonylContact C-O 3.58Å; E129-T138 VanDerWaalsContact CA-O 3.29Å; E129-T138 WeakPolarHBondContact CA-O 3.45Å; E129-P139 HydrophobicContact CG-CB 4.35Å; E129-V188 CarbonylContact O-C 3.52Å; E129-V188 VanDerWaalsContact O-CA 3.3Å; E129-V188 WeakPolarHBondContact O-CA 3.34Å; E129-R189 HydrophobicContact CB-CG 4.13Å; E129-R189 PolarHBondContact N-O 3.31Å; E129-R189 PolarHBondContact O-N 2.89Å; E129-R189 IonicContact OE2-CZ 3.12Å; E129-R189 IonicContact OE2-NE 2.71Å; E129-R189 PolarHBondContact OE2-NE 3.31Å; E129-R189 IonicContact OE2-NH2 2.69Å; E129-R189 PolarHBondContact OE2-NH2 3.4Å
130	W	94.6	Very high	82.2	Confident	52 Å²	52	40.1 Å²	40.1	20%	0.197	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	149.9	175.4	62.3	-81.6	0	0	0	111.8	N132 T138 Y140 Q177 Q187 V188	W130-N132 HydrophobicContact CE3-CB 4.41Å; W130-N132 HydrophobicContact CH2-CB 4.03Å; W130-N132 HydrophobicContact CZ3-CB 3.76Å; W130-T138 HydrophobicContact CZ2-CG2 3.93Å; W130-T138 PolarHBondContact N-O 3.19Å; W130-T138 PolarHBondContact NE1-O 2.94Å; W130-T138 PolarHBondContact O-N 2.88Å; W130-Y140 HydrophobicContact CB-CE1 4.46Å; W130-Y140 HydrophobicContact CB-CE2 3.95Å; W130-Y140 AromaticContact CD1-CD1 3.82Å; W130-Y140 AromaticContact CD1-CE1 3.6Å; W130-Y140 AromaticContact CD1-CE2 3.99Å; W130-Y140 AromaticContact CD1-CZ 3.71Å; W130-Y140 HydrophobicContact CG-CE1 4.18Å; W130-Y140 HydrophobicContact CG-CE2 4.35Å; W130-Y140 AromaticContact CG-CZ 3.97Å; W130-Q177 VanDerWaalsContact CE3-NE2 3.27Å; W130-Q187 WeakPolarHBondContact CA-O 3.45Å; W130-V188 HydrophobicContact CB-CG2 4.18Å
131	A	94.6	Very high	83.5	Confident	17 Å²	17	40.2 Å²	40.2	14%	0.14	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	121.3	178.8	0	0	0	0	0	111.2	W137 Q187	A131-W137 HydrophobicContact CB-CD2 4.38Å; A131-W137 HydrophobicContact CB-CE3 4.2Å; A131-W137 HydrophobicContact CB-CH2 4.06Å; A131-W137 HydrophobicContact CB-CZ2 4.21Å; A131-W137 HydrophobicContact CB-CZ3 4.03Å; A131-Q187 HydrophobicContact CB-CB 4.2Å; A131-Q187 PolarHBondContact N-O 2.93Å
132	N	88.8	Confident	84.8	Confident	32 Å²	32	40 Å²	40	17%	0.171	23%	0.227	C	C	.	.			trans	-83.3	175.4	173.9	66.7	31.1	0	0	0	112	W130 E134 G135 S136 T138	W130-N132 HydrophobicContact CE3-CB 4.41Å; W130-N132 HydrophobicContact CH2-CB 4.03Å; W130-N132 HydrophobicContact CZ3-CB 3.76Å; N132-E134 PolarHBondContact O-N 3.4Å; N132-E134 PolarHBondContact OD1-N 2.89Å; N132-E134 VanDerWaalsContact OD1-N 3.15Å; N132-G135 PolarHBondContact O-N 2.87Å; N132-G135 VanDerWaalsContact O-N 3.14Å; N132-G135 PolarHBondContact OD1-N 3.47Å; N132-S136 PolarHBondContact N-O 3.04Å; N132-S136 PolarHBondContact ND2-O 3.31Å; N132-S136 PolarHBondContact ND2-OG 3.2Å; N132-S136 PolarHBondContact OD1-N 3.37Å; N132-S136 PolarHBondContact OD1-O 2.83Å; N132-S136 VanDerWaalsContact OD1-O 3.08Å; N132-S136 PolarHBondContact OD1-OG 3.4Å; N132-S136 VanDerWaalsContact OD1-OG 3.07Å; N132-T138 PolarHBondContact ND2-OG1 3.32Å
133	D	82.4	Confident	85.9	Confident	123 Å²	123	47.3 Å²	47.3	66%	0.658	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-22	-176.6	-62	-55	0	0	0	113.6	G135 R186	D133-G135 PolarHBondContact O-N 3.23Å; D133-R186 IonicContact OD1-CZ 2.71Å; D133-R186 IonicContact OD1-NH1 2.73Å; D133-R186 PolarHBondContact OD1-NH1 2.83Å; D133-R186 IonicContact OD1-NH2 3.29Å; D133-R186 PolarHBondContact OD1-NH2 2.8Å; D133-R186 IonicContact OD2-CZ 3.67Å; D133-R186 IonicContact OD2-NH1 2.7Å; D133-R186 PolarHBondContact OD2-NH1 2.94Å; D133-R186 IonicContact OD2-NH2 3.68Å; D133-R186 PolarHBondContact OD2-NH2 2.77Å
134	E	81.4	Confident	87.4	Confident	176 Å²	176	46.7 Å²	46.7	82%	0.822	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	3.5	178.3	-58.2	174.5	-179.2	0	0	112.1	N132 S136	N132-E134 PolarHBondContact O-N 3.4Å; N132-E134 PolarHBondContact OD1-N 2.89Å; N132-E134 VanDerWaalsContact OD1-N 3.15Å; E134-S136 PolarHBondContact O-N 2.96Å
135	G	81.6	Confident	88.5	Confident	58 Å²	58	42.9 Å²	42.9	60%	0.598	22%	0.221	S	C	*	.	S	Bend	trans	75.5	5.4	-178.8	0	0	0	0	0	114.7	N132 D133	N132-G135 PolarHBondContact O-N 2.87Å; N132-G135 VanDerWaalsContact O-N 3.14Å; N132-G135 PolarHBondContact OD1-N 3.47Å; D133-G135 PolarHBondContact O-N 3.23Å
136	S	87.4	Confident	89.3	Confident	54 Å²	54	44.6 Å²	44.6	38%	0.378	23%	0.23	S	C	.	.			trans	-91.8	157.6	174.4	59.6	0	0	0	0	111.7	N132 E134	N132-S136 PolarHBondContact N-O 3.04Å; N132-S136 PolarHBondContact ND2-O 3.31Å; N132-S136 PolarHBondContact ND2-OG 3.2Å; N132-S136 PolarHBondContact OD1-N 3.37Å; N132-S136 PolarHBondContact OD1-O 2.83Å; N132-S136 VanDerWaalsContact OD1-O 3.08Å; N132-S136 PolarHBondContact OD1-OG 3.4Å; N132-S136 VanDerWaalsContact OD1-OG 3.07Å; E134-S136 PolarHBondContact O-N 2.96Å
137	W	91.6	Very high	89.6	Confident	75 Å²	75	46.6 Å²	46.6	28%	0.284	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	128.6	-175.4	-68.9	85.9	0	0	0	110.3	E129 A131 Q187 R189	E129-W137 HydrophobicContact CB-CB 4.41Å; E129-W137 HydrophobicContact CB-CE3 4.16Å; A131-W137 HydrophobicContact CB-CD2 4.38Å; A131-W137 HydrophobicContact CB-CE3 4.2Å; A131-W137 HydrophobicContact CB-CH2 4.06Å; A131-W137 HydrophobicContact CB-CZ2 4.21Å; A131-W137 HydrophobicContact CB-CZ3 4.03Å; W137-Q187 HydrophobicContact CH2-CB 3.77Å; W137-Q187 HydrophobicContact CZ3-CB 4.4Å; W137-R189 VanDerWaalsContact CD1-CZ 3.49Å; W137-R189 VanDerWaalsContact CD1-NH1 3.32Å; W137-R189 HydrophobicContact CD2-CG 4.2Å; W137-R189 VanDerWaalsContact CD2-CZ 3.49Å; W137-R189 HydrophobicContact CE3-CB 4.44Å; W137-R189 VanDerWaalsContact CE3-CD 3.49Å; W137-R189 HydrophobicContact CE3-CG 3.57Å; W137-R189 HydrophobicContact CH2-CB 4.12Å; W137-R189 HydrophobicContact CH2-CG 4.05Å; W137-R189 HydrophobicContact CZ3-CB 3.86Å; W137-R189 HydrophobicContact CZ3-CG 3.49Å; W137-R189 VanDerWaalsContact CZ3-CG 3.49Å
138	T	90.7	Very high	89.9	Confident	27 Å²	27	45.1 Å²	45.1	17%	0.166	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.6	-178	-56.5	0	0	0	0	109.5	E129 W130 N132	E129-T138 CarbonylContact C-O 3.58Å; E129-T138 VanDerWaalsContact CA-O 3.29Å; E129-T138 WeakPolarHBondContact CA-O 3.45Å; W130-T138 HydrophobicContact CZ2-CG2 3.93Å; W130-T138 PolarHBondContact N-O 3.19Å; W130-T138 PolarHBondContact NE1-O 2.94Å; W130-T138 PolarHBondContact O-N 2.88Å; N132-T138 PolarHBondContact ND2-OG1 3.32Å
139	P	91.7	Very high	89.8	Confident	29 Å²	29	45.3 Å²	45.3	19%	0.188	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	139	177.2	27.4	-33.7	0	0	0	111.5	R49 P50 Y127 E129	R49-P139 PolarHBondContact NH1-O 3.19Å; P50-P139 HydrophobicContact CG-CB 4.37Å; Y127-P139 HydrophobicContact CD2-CB 4.48Å; E129-P139 HydrophobicContact CG-CB 4.35Å
140	Y	92.1	Very high	89.6	Confident	8 Å²	8	50.1 Å²	50.1	3%	0.031	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-66.2	156.2	165.4	-73.7	-71.9	0	0	0	110.4	W128 W130 T144 L148 L161 Q177 V188	W128-Y140 HydrophobicContact CB-CD2 3.82Å; W128-Y140 HydrophobicContact CB-CE2 4.47Å; W128-Y140 WeakPolarHBondContact O-CD2 3.41Å; W128-Y140 PolarHBondContact O-N 3.36Å; W130-Y140 HydrophobicContact CB-CE1 4.46Å; W130-Y140 HydrophobicContact CB-CE2 3.95Å; W130-Y140 AromaticContact CD1-CD1 3.82Å; W130-Y140 AromaticContact CD1-CE1 3.6Å; W130-Y140 AromaticContact CD1-CE2 3.99Å; W130-Y140 AromaticContact CD1-CZ 3.71Å; W130-Y140 HydrophobicContact CG-CE1 4.18Å; W130-Y140 HydrophobicContact CG-CE2 4.35Å; W130-Y140 AromaticContact CG-CZ 3.97Å; Y140-T144 HydrophobicContact CD1-CG2 3.83Å; Y140-T144 HydrophobicContact CG-CG2 4.06Å; Y140-L148 HydrophobicContact CD2-CD1 3.71Å; Y140-L148 HydrophobicContact CE2-CD1 3.78Å; Y140-L148 HydrophobicContact CG-CD1 4.24Å; Y140-L161 HydrophobicContact CD1-CD1 4.49Å; Y140-L161 HydrophobicContact CE1-CD1 3.86Å; Y140-Q177 PolarHBondContact OH-OE1 2.81Å; Y140-V188 HydrophobicContact CE2-CG1 4.13Å; Y140-V188 HydrophobicContact CE2-CG2 4.23Å; Y140-V188 VanDerWaalsContact OH-CG2 3.31Å; Y140-V188 WeakPolarHBondContact OH-CG2 3.46Å
141	E	91.6	Very high	89.4	Confident	35 Å²	35	47.9 Å²	47.9	16%	0.164	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-57.7	154	170.9	-57.5	-154.9	154.5	0	0	111.2	Y47 W48 R143 T144 S145 Y166	Y47-E141 WeakPolarHBondContact CA-OE1 3.4Å; Y47-E141 WeakPolarHBondContact CB-OE1 3.48Å; Y47-E141 WeakPolarHBondContact CD1-OE1 3.46Å; W48-E141 PolarHBondContact N-OE1 3.44Å; W48-E141 WeakPolarHBondContact O-CG 3.13Å; E141-R143 VanDerWaalsContact C-N 3.29Å; E141-R143 PolarHBondContact O-N 3.13Å; E141-T144 WeakPolarHBondContact O-CB 3.15Å; E141-T144 PolarHBondContact O-N 3.37Å; E141-T144 VanDerWaalsContact O-N 3.08Å; E141-S145 PolarHBondContact O-N 3.04Å; E141-Y166 WeakPolarHBondContact CG-OH 3.38Å
142	T	90.1	Very high	89.2	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.006	26%	0.263	C	S	.	.	H	α-helix	trans	-55	-41.6	-174.4	-52.6	0	0	0	0	113	V38 E40 F116 L122 S145 I146	V38-T142 HydrophobicContact CB-CG2 4.45Å; V38-T142 HydrophobicContact CG1-CG2 4.08Å; V38-T142 HydrophobicContact CG2-CG2 4.2Å; E40-T142 VanDerWaalsContact OE1-CB 3.27Å; E40-T142 WeakPolarHBondContact OE1-CB 3.49Å; E40-T142 PolarHBondContact OE1-OG1 3.08Å; F116-T142 HydrophobicContact CD1-CG2 4.48Å; F116-T142 HydrophobicContact CD2-CG2 3.86Å; F116-T142 HydrophobicContact CE1-CG2 4.05Å; F116-T142 HydrophobicContact CE2-CG2 3.34Å; F116-T142 HydrophobicContact CG-CG2 4.4Å; F116-T142 HydrophobicContact CZ-CG2 3.45Å; F116-T142 VanDerWaalsContact CZ-CG2 3.45Å; L122-T142 HydrophobicContact CD1-CG2 3.32Å; L122-T142 HydrophobicContact CD2-CG2 4.3Å; L122-T142 HydrophobicContact CG-CG2 4.47Å; T142-S145 PolarHBondContact O-N 2.83Å; T142-I146 WeakPolarHBondContact O-CG1 3.47Å; T142-I146 PolarHBondContact O-N 3.22Å
143	R	89.1	Confident	89.2	Confident	159 Å²	159	56.1 Å²	56.1	60%	0.6	28%	0.28	S	S	*	.	H	α-helix	trans	-66.3	-43.3	177.5	-67.4	178.6	-179.7	160.7	-0.2	112.8	F116 E141 S145 I146 L147	F116-R143 HydrophobicContact CE1-CG 3.99Å; E141-R143 VanDerWaalsContact C-N 3.29Å; E141-R143 PolarHBondContact O-N 3.13Å; R143-S145 VanDerWaalsContact C-N 3.32Å; R143-S145 PolarHBondContact O-N 3.39Å; R143-I146 WeakPolarHBondContact O-CB 3.31Å; R143-I146 PolarHBondContact O-N 2.88Å; R143-L147 PolarHBondContact O-N 2.83Å
144	T	91	Very high	89.6	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-38.8	176	-52.5	0	0	0	0	111.2	Y140 E141 L147 L148 L161	Y140-T144 HydrophobicContact CD1-CG2 3.83Å; Y140-T144 HydrophobicContact CG-CG2 4.06Å; E141-T144 WeakPolarHBondContact O-CB 3.15Å; E141-T144 PolarHBondContact O-N 3.37Å; E141-T144 VanDerWaalsContact O-N 3.08Å; T144-L147 PolarHBondContact O-N 2.84Å; T144-L148 HydrophobicContact CG2-CD1 4.27Å; T144-L148 WeakPolarHBondContact O-CG 3.38Å; T144-L148 PolarHBondContact O-N 3.28Å; T144-L161 HydrophobicContact CG2-CD1 3.95Å; T144-L161 HydrophobicContact CG2-CD2 3.83Å; T144-L161 HydrophobicContact CG2-CG 4.44Å
145	S	91	Very high	90.1	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.014	27%	0.273	C	S	.	.	H	α-helix	trans	-64	-38.3	173.2	-69.9	0	0	0	0	112.8	W128 E141 T142 R143 E149	W128-S145 PolarHBondContact N-OG 3.35Å; E141-S145 PolarHBondContact O-N 3.04Å; T142-S145 PolarHBondContact O-N 2.83Å; R143-S145 VanDerWaalsContact C-N 3.32Å; R143-S145 PolarHBondContact O-N 3.39Å; S145-E149 VanDerWaalsContact O-CB 3.31Å; S145-E149 WeakPolarHBondContact O-CB 3.42Å; S145-E149 PolarHBondContact O-N 2.8Å
146	I	88.6	Confident	90.5	Very high	35 Å²	35	56.9 Å²	56.9	18%	0.179	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-47.4	173.2	-65.8	161.5	0	0	0	110.6	F116 L122 T142 R143 E149 H150	F116-I146 HydrophobicContact CD1-CD1 3.52Å; F116-I146 HydrophobicContact CE1-CD1 3.98Å; F116-I146 HydrophobicContact CG-CD1 4.17Å; L122-I146 HydrophobicContact CD1-CD1 3.55Å; L122-I146 HydrophobicContact CD1-CG1 3.44Å; L122-I146 VanDerWaalsContact CD1-CG1 3.44Å; L122-I146 HydrophobicContact CG-CD1 4.38Å; L122-I146 HydrophobicContact CG-CG1 3.72Å; T142-I146 WeakPolarHBondContact O-CG1 3.47Å; T142-I146 PolarHBondContact O-N 3.22Å; R143-I146 WeakPolarHBondContact O-CB 3.31Å; R143-I146 PolarHBondContact O-N 2.88Å; I146-E149 PolarHBondContact O-N 2.8Å; I146-H150 WeakPolarHBondContact O-CB 3.37Å; I146-H150 PolarHBondContact O-N 3.18Å
147	L	90.7	Very high	90.6	Very high	48 Å²	48	56.1 Å²	56.1	25%	0.251	27%	0.265	S	S	.	.	H	α-helix	trans	-58.9	-51	178.9	176.1	66.3	0	0	0	111.1	R143 T144 E149 H150 S151 D160 L161	R143-L147 PolarHBondContact O-N 2.83Å; T144-L147 PolarHBondContact O-N 2.84Å; L147-E149 VanDerWaalsContact C-N 3.34Å; L147-E149 PolarHBondContact O-N 3.32Å; L147-H150 PolarHBondContact O-N 2.75Å; L147-S151 WeakPolarHBondContact O-CB 3.4Å; L147-S151 PolarHBondContact O-N 2.98Å; L147-S151 PolarHBondContact O-OG 3.1Å; L147-D160 WeakPolarHBondContact CD2-O 3.4Å; L147-L161 HydrophobicContact CD2-CD2 4.19Å
148	L	91.4	Very high	90.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60	-43.4	180	-72.3	172.5	0	0	0	111.9	W128 Y140 T144 Y152 A159 L161 V170 L172	W128-L148 HydrophobicContact CB-CB 4.43Å; W128-L148 HydrophobicContact CB-CD1 3.76Å; W128-L148 HydrophobicContact CD2-CB 3.87Å; W128-L148 HydrophobicContact CD2-CD1 4.28Å; W128-L148 HydrophobicContact CE3-CD1 4.47Å; W128-L148 HydrophobicContact CG-CB 3.8Å; W128-L148 HydrophobicContact CG-CD1 3.99Å; Y140-L148 HydrophobicContact CD2-CD1 3.71Å; Y140-L148 HydrophobicContact CE2-CD1 3.78Å; Y140-L148 HydrophobicContact CG-CD1 4.24Å; T144-L148 HydrophobicContact CG2-CD1 4.27Å; T144-L148 WeakPolarHBondContact O-CG 3.38Å; T144-L148 PolarHBondContact O-N 3.28Å; L148-Y152 VanDerWaalsContact O-CB 3.22Å; L148-Y152 WeakPolarHBondContact O-CB 3.21Å; L148-Y152 PolarHBondContact O-N 3.4Å; L148-A159 HydrophobicContact CD2-CB 3.84Å; L148-L161 HydrophobicContact CD2-CD2 4.01Å; L148-L161 HydrophobicContact CG-CD2 4.26Å; L148-V170 HydrophobicContact CD1-CG2 4.48Å; L148-V170 HydrophobicContact CD2-CB 3.65Å; L148-V170 HydrophobicContact CD2-CG1 3.97Å; L148-V170 HydrophobicContact CD2-CG2 3.66Å; L148-L172 HydrophobicContact CD2-CD2 4.13Å
149	E	91.6	Very high	90.9	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.019	27%	0.269	C	S	.	.	H	α-helix	trans	-66.6	-42.2	178	-176.8	58.1	-169.7	0	0	112.3	V126 W128 S145 I146 L147 Y152 Q153 R190	V126-E149 HydrophobicContact CG1-CG 4.19Å; V126-E149 WeakPolarHBondContact CG1-OE2 3.15Å; W128-E149 PolarHBondContact NE1-OE2 3.5Å; W128-E149 VanDerWaalsContact NE1-OE2 3.12Å; S145-E149 VanDerWaalsContact O-CB 3.31Å; S145-E149 WeakPolarHBondContact O-CB 3.42Å; S145-E149 PolarHBondContact O-N 2.8Å; I146-E149 PolarHBondContact O-N 2.8Å; L147-E149 VanDerWaalsContact C-N 3.34Å; L147-E149 PolarHBondContact O-N 3.32Å; E149-Y152 PolarHBondContact O-N 2.9Å; E149-Q153 HydrophobicContact CG-CG 4.47Å; E149-Q153 WeakPolarHBondContact O-CB 3.37Å; E149-Q153 VanDerWaalsContact O-CG 3.27Å; E149-Q153 WeakPolarHBondContact O-CG 3.3Å; E149-Q153 PolarHBondContact O-N 2.98Å; E149-Q153 PolarHBondContact OE1-NE2 2.73Å; E149-R190 IonicContact OE1-CZ 3.47Å; E149-R190 IonicContact OE1-NE 3.37Å; E149-R190 PolarHBondContact OE1-NE 3.39Å; E149-R190 IonicContact OE1-NH2 2.72Å; E149-R190 PolarHBondContact OE1-NH2 2.95Å; E149-R190 IonicContact OE2-CZ 3.55Å; E149-R190 IonicContact OE2-NE 2.75Å; E149-R190 PolarHBondContact OE2-NE 2.73Å; E149-R190 IonicContact OE2-NH2 3.57Å
150	H	88.6	Confident	90.9	Very high	118 Å²	118	57.2 Å²	57.2	55%	0.546	28%	0.277	S	S	.	.	H	α-helix	trans	-62.1	-47.9	175.5	175.9	-91	0	0	0	111.6	I146 L147 Y152 Q153 A154	I146-H150 WeakPolarHBondContact O-CB 3.37Å; I146-H150 PolarHBondContact O-N 3.18Å; L147-H150 PolarHBondContact O-N 2.75Å; H150-Y152 VanDerWaalsContact C-N 3.33Å; H150-Y152 PolarHBondContact O-N 3.28Å; H150-Q153 PolarHBondContact O-N 3.16Å; H150-A154 VanDerWaalsContact O-CB 3.24Å; H150-A154 WeakPolarHBondContact O-CB 3.44Å; H150-A154 PolarHBondContact O-N 2.69Å
151	S	90.6	Very high	90.9	Very high	4 Å²	4	56.8 Å²	56.8	3%	0.028	28%	0.276	C	S	.	.	H	α-helix	trans	-60.3	-40.6	176.1	-73.1	0	0	0	0	112.4	L147 A154 R155 Q156	L147-S151 WeakPolarHBondContact O-CB 3.4Å; L147-S151 PolarHBondContact O-N 2.98Å; L147-S151 PolarHBondContact O-OG 3.1Å; S151-A154 CarbonylContact O-C 3.56Å; S151-A154 PolarHBondContact O-N 3.32Å; S151-R155 PolarHBondContact O-N 2.76Å; S151-Q156 WeakPolarHBondContact O-CB 3.41Å; S151-Q156 PolarHBondContact O-N 2.85Å; S151-Q156 PolarHBondContact OG-OE1 3.31Å
152	Y	90.9	Very high	90.7	Very high	106 Å²	106	56.6 Å²	56.6	42%	0.416	28%	0.283	S	S	.	.	H	α-helix	trans	-66.5	-45.2	176.8	-177.1	-99.4	0	0	0	112.3	W128 L148 E149 H150 A154 R155 L172	W128-Y152 AromaticContact CH2-CD2 3.78Å; W128-Y152 HydrophobicContact CH2-CD2 3.78Å; W128-Y152 HydrophobicContact CH2-CE2 4.37Å; W128-Y152 AromaticContact CH2-CG 3.99Å; W128-Y152 HydrophobicContact CH2-CG 3.99Å; W128-Y152 HydrophobicContact CZ2-CD1 4.24Å; W128-Y152 HydrophobicContact CZ2-CD2 4.03Å; W128-Y152 AromaticContact CZ2-CG 3.73Å; W128-Y152 HydrophobicContact CZ2-CG 3.73Å; L148-Y152 VanDerWaalsContact O-CB 3.22Å; L148-Y152 WeakPolarHBondContact O-CB 3.21Å; L148-Y152 PolarHBondContact O-N 3.4Å; E149-Y152 PolarHBondContact O-N 2.9Å; H150-Y152 VanDerWaalsContact C-N 3.33Å; H150-Y152 PolarHBondContact O-N 3.28Å; Y152-A154 VanDerWaalsContact C-N 3.33Å; Y152-A154 PolarHBondContact O-N 2.72Å; Y152-R155 PolarHBondContact O-N 2.92Å; Y152-L172 HydrophobicContact CD2-CB 4.4Å
153	Q	89.9	Confident	90.4	Very high	116 Å²	116	61.7 Å²	61.7	54%	0.542	32%	0.316	S	S	.	.	H	α-helix	trans	-63.6	-38.1	174.9	-71.9	179.5	13.5	0	0	112.1	E149 H150 R155	E149-Q153 HydrophobicContact CG-CG 4.47Å; E149-Q153 WeakPolarHBondContact O-CB 3.37Å; E149-Q153 VanDerWaalsContact O-CG 3.27Å; E149-Q153 WeakPolarHBondContact O-CG 3.3Å; E149-Q153 PolarHBondContact O-N 2.98Å; E149-Q153 PolarHBondContact OE1-NE2 2.73Å; H150-Q153 PolarHBondContact O-N 3.16Å; Q153-R155 PolarHBondContact O-N 3.29Å
154	A	89.4	Confident	90.1	Very high	54 Å²	54	57.2 Å²	57.2	45%	0.446	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	0.2	172.8	0	0	0	0	0	113.9	H150 S151 Y152 Q156	H150-A154 VanDerWaalsContact O-CB 3.24Å; H150-A154 WeakPolarHBondContact O-CB 3.44Å; H150-A154 PolarHBondContact O-N 2.69Å; S151-A154 CarbonylContact O-C 3.56Å; S151-A154 PolarHBondContact O-N 3.32Å; Y152-A154 VanDerWaalsContact C-N 3.33Å; Y152-A154 PolarHBondContact O-N 2.72Å; A154-Q156 HydrophobicContact CB-CG 4.17Å; A154-Q156 PolarHBondContact O-N 3.16Å
155	R	91.7	Very high	89.7	Confident	230 Å²	230	60.7 Å²	60.7	87%	0.868	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	33.2	-178.5	-57.3	178.1	176.5	-88.7	-0.8	113.7	S151 Y152 Q153	S151-R155 PolarHBondContact O-N 2.76Å; Y152-R155 PolarHBondContact O-N 2.92Å; Q153-R155 PolarHBondContact O-N 3.29Å
156	Q	91.8	Very high	89.5	Confident	89 Å²	89	62.2 Å²	62.2	42%	0.416	34%	0.343	S	S	.	.			trans	-69.8	133.9	170.8	-63.3	-179.9	-17.6	0	0	109.1	S151 A154 T158 L172	S151-Q156 WeakPolarHBondContact O-CB 3.41Å; S151-Q156 PolarHBondContact O-N 2.85Å; S151-Q156 PolarHBondContact OG-OE1 3.31Å; A154-Q156 HydrophobicContact CB-CG 4.17Å; A154-Q156 PolarHBondContact O-N 3.16Å; Q156-T158 VanDerWaalsContact C-N 3.28Å; Q156-T158 PolarHBondContact O-N 2.97Å; Q156-L172 WeakPolarHBondContact O-CD1 3.46Å
157	G	89.3	Confident	89.6	Confident	39 Å²	39	64 Å²	64	40%	0.402	35%	0.353	S	S	.	.	S	Bend	trans	-68	-28.6	179.4	0	0	0	0	0	113.3	L172	G157-L172 PolarHBondContact O-N 2.95Å
158	T	93.7	Very high	89.7	Confident	81 Å²	81	64.8 Å²	64.8	50%	0.497	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	158.9	177.8	60.2	0	0	0	0	111.3	Q156 I169 V170	Q156-T158 VanDerWaalsContact C-N 3.28Å; Q156-T158 PolarHBondContact O-N 2.97Å; T158-I169 HydrophobicContact CG2-CG2 4.25Å; T158-V170 CarbonylContact C-O 3.46Å; T158-V170 WeakPolarHBondContact CA-O 3.38Å
159	A	94	Very high	89.8	Confident	3 Å²	3	67.5 Å²	67.5	3%	0.025	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	127	172.7	0	0	0	0	0	110.4	L148 I169 V170 L172	L148-A159 HydrophobicContact CD2-CB 3.84Å; A159-I169 WeakPolarHBondContact O-CA 3.16Å; A159-V170 PolarHBondContact N-O 3.4Å; A159-V170 PolarHBondContact O-N 3.32Å; A159-L172 HydrophobicContact CB-CD1 3.98Å; A159-L172 HydrophobicContact CB-CG 4.43Å
160	D	92.3	Very high	90	Very high	69 Å²	69	67.3 Å²	67.3	37%	0.369	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	123.7	179.4	-172.1	-3.3	0	0	0	111.3	L147 G162 K180	L147-D160 WeakPolarHBondContact CD2-O 3.4Å; D160-G162 PolarHBondContact OD1-N 3.29Å; D160-K180 WeakPolarHBondContact OD1-CE 3.19Å; D160-K180 IonicContact OD1-NZ 3.38Å; D160-K180 PolarHBondContact OD1-NZ 3.04Å; D160-K180 IonicContact OD2-NZ 2.74Å; D160-K180 PolarHBondContact OD2-NZ 2.9Å
161	L	92.3	Very high	90.3	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.35	C	S	.	.			trans	-90.4	-2.1	178	-50.9	-168.6	0	0	0	113.5	Y140 T144 L147 L148 H164 Y166 Y168 V170	Y140-L161 HydrophobicContact CD1-CD1 4.49Å; Y140-L161 HydrophobicContact CE1-CD1 3.86Å; T144-L161 HydrophobicContact CG2-CD1 3.95Å; T144-L161 HydrophobicContact CG2-CD2 3.83Å; T144-L161 HydrophobicContact CG2-CG 4.44Å; L147-L161 HydrophobicContact CD2-CD2 4.19Å; L148-L161 HydrophobicContact CD2-CD2 4.01Å; L148-L161 HydrophobicContact CG-CD2 4.26Å; L161-H164 WeakPolarHBondContact O-CA 3.33Å; L161-H164 WeakPolarHBondContact O-CB 3.34Å; L161-H164 PolarHBondContact O-N 3.31Å; L161-Y166 CarbonylContact C-O 3.51Å; L161-Y166 VanDerWaalsContact C-O 3.27Å; L161-Y166 HydrophobicContact CB-CD2 4.37Å; L161-Y166 HydrophobicContact CB-CG 4.45Å; L161-Y166 PolarHBondContact O-N 3.07Å; L161-Y168 WeakPolarHBondContact CB-O 3.33Å; L161-Y168 PolarHBondContact N-O 2.91Å; L161-V170 HydrophobicContact CD1-CG2 3.83Å; L161-V170 HydrophobicContact CD2-CG2 4.3Å; L161-V170 HydrophobicContact CG-CG2 4.08Å
162	G	86.1	Confident	90.4	Very high	30 Å²	30	63.7 Å²	63.7	31%	0.309	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-49	-45.8	176.7	0	0	0	0	0	114.8	D160 H164 G165 Y166	D160-G162 PolarHBondContact OD1-N 3.29Å; G162-H164 PolarHBondContact O-N 3.4Å; G162-H164 VanDerWaalsContact O-N 3.09Å; G162-G165 PolarHBondContact O-N 3.46Å; G162-Y166 VanDerWaalsContact CA-O 3.26Å; G162-Y166 WeakPolarHBondContact CA-O 3.49Å; G162-Y166 PolarHBondContact N-O 3.09Å; G162-Y166 VanDerWaalsContact N-O 3.13Å
163	P	85.4	Confident	90.4	Very high	109 Å²	109	64.2 Å²	64.2	71%	0.708	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-61.4	-16.5	175.9	-25.3	35.8	0	0	0	114.9
164	H	80.8	Confident	90.5	Very high	65 Å²	65	61.7 Å²	61.7	30%	0.301	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-99.1	11.3	175.9	-68.9	68.9	0	0	0	112.5	L161 G162 Y166	L161-H164 WeakPolarHBondContact O-CA 3.33Å; L161-H164 WeakPolarHBondContact O-CB 3.34Å; L161-H164 PolarHBondContact O-N 3.31Å; G162-H164 PolarHBondContact O-N 3.4Å; G162-H164 VanDerWaalsContact O-N 3.09Å; H164-Y166 HydrophobicContact CB-CD2 3.8Å; H164-Y166 HydrophobicContact CB-CE2 4.17Å; H164-Y166 WeakPolarHBondContact O-CD2 3.48Å
165	G	83.4	Confident	90.8	Very high	73 Å²	73	62.2 Å²	62.2	75%	0.753	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	7.6	-179.9	0	0	0	0	0	114.8	G162	G162-G165 PolarHBondContact O-N 3.46Å
166	Y	87.3	Confident	90.9	Very high	33 Å²	33	51.8 Å²	51.8	13%	0.129	32%	0.318	C	S	.	.			trans	-105.6	126.9	-173.6	-67.8	-61.5	0	0	0	112.1	Y47 E141 L161 G162 H164 Y168	Y47-Y166 HydrophobicContact CD1-CE1 4.31Å; Y47-Y166 WeakPolarHBondContact CD1-OH 3.34Å; Y47-Y166 AromaticContact CE1-CE1 3.73Å; Y47-Y166 HydrophobicContact CE1-CE1 3.73Å; Y47-Y166 AromaticContact CE1-CZ 3.96Å; Y47-Y166 WeakPolarHBondContact CE1-OH 3.26Å; E141-Y166 WeakPolarHBondContact CG-OH 3.38Å; L161-Y166 CarbonylContact C-O 3.51Å; L161-Y166 VanDerWaalsContact C-O 3.27Å; L161-Y166 HydrophobicContact CB-CD2 4.37Å; L161-Y166 HydrophobicContact CB-CG 4.45Å; L161-Y166 PolarHBondContact O-N 3.07Å; G162-Y166 VanDerWaalsContact CA-O 3.26Å; G162-Y166 WeakPolarHBondContact CA-O 3.49Å; G162-Y166 PolarHBondContact N-O 3.09Å; G162-Y166 VanDerWaalsContact N-O 3.13Å; H164-Y166 HydrophobicContact CB-CD2 3.8Å; H164-Y166 HydrophobicContact CB-CE2 4.17Å; H164-Y166 WeakPolarHBondContact O-CD2 3.48Å; Y166-Y168 PolarHBondContact O-N 2.87Å
167	N	90.8	Very high	91.1	Very high	73 Å²	73	47.8 Å²	47.8	39%	0.39	30%	0.299	S	S	.	.	S	Bend	trans	-79.4	44.5	178.8	-162.1	37.6	0	0	0	113.6	K180 S181	N167-K180 PolarHBondContact O-N 3.02Å; N167-K180 WeakPolarHBondContact OD1-CB 3.28Å; N167-S181 PolarHBondContact ND2-OG 2.96Å; N167-S181 VanDerWaalsContact ND2-OG 3.1Å
168	Y	92.3	Very high	91.3	Very high	64 Å²	64	47.3 Å²	47.3	25%	0.251	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	148.1	-173.4	-61.9	-86.3	0	0	0	111.6	L161 Y166 V178 N179	L161-Y168 WeakPolarHBondContact CB-O 3.33Å; L161-Y168 PolarHBondContact N-O 2.91Å; Y166-Y168 PolarHBondContact O-N 2.87Å; Y168-V178 CarbonylContact C-O 3.38Å; Y168-V178 VanDerWaalsContact CA-O 3.29Å; Y168-V178 WeakPolarHBondContact CA-O 3.22Å; Y168-N179 HydrophobicContact CD1-CB 3.92Å; Y168-N179 HydrophobicContact CE1-CB 3.69Å
169	I	94.4	Very high	91.2	Very high	58 Å²	58	44.5 Å²	44.5	30%	0.297	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.8	165.2	-61.7	175	0	0	0	107.1	T158 A159 Q177 V178 K180	T158-I169 HydrophobicContact CG2-CG2 4.25Å; A159-I169 WeakPolarHBondContact O-CA 3.16Å; I169-Q177 CarbonylContact O-C 3.43Å; I169-Q177 WeakPolarHBondContact O-CA 3.46Å; I169-V178 PolarHBondContact N-O 3.46Å; I169-V178 PolarHBondContact O-N 3.44Å; I169-K180 HydrophobicContact CD1-CD 4.4Å; I169-K180 HydrophobicContact CD1-CG 4.14Å; I169-K180 HydrophobicContact CG1-CD 4.25Å; I169-K180 VanDerWaalsContact CG1-CE 3.44Å; I169-K180 HydrophobicContact CG1-CG 3.93Å
170	V	95.8	Very high	91.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	119.6	171.9	-176.3	0	0	0	0	109	L148 T158 A159 L161 L172 Q177 V188	L148-V170 HydrophobicContact CD1-CG2 4.48Å; L148-V170 HydrophobicContact CD2-CB 3.65Å; L148-V170 HydrophobicContact CD2-CG1 3.97Å; L148-V170 HydrophobicContact CD2-CG2 3.66Å; T158-V170 CarbonylContact C-O 3.46Å; T158-V170 WeakPolarHBondContact CA-O 3.38Å; A159-V170 PolarHBondContact N-O 3.4Å; A159-V170 PolarHBondContact O-N 3.32Å; L161-V170 HydrophobicContact CD1-CG2 3.83Å; L161-V170 HydrophobicContact CD2-CG2 4.3Å; L161-V170 HydrophobicContact CG-CG2 4.08Å; V170-L172 HydrophobicContact CG1-CD2 3.97Å; V170-L172 HydrophobicContact CG1-CG 4.5Å; V170-L172 PolarHBondContact O-N 2.87Å; V170-Q177 HydrophobicContact CG2-CB 4Å; V170-V188 HydrophobicContact CG1-CB 4.38Å; V170-V188 HydrophobicContact CG1-CG1 4.09Å; V170-V188 HydrophobicContact CG1-CG2 4.27Å
171	D	93.5	Very high	90.9	Very high	36 Å²	36	49.7 Å²	49.7	19%	0.193	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	112.3	162.9	177.7	-12.5	0	0	0	108.1	T173 S174 L175 A176	D171-T173 VanDerWaalsContact C-N 3.29Å; D171-T173 WeakPolarHBondContact OD1-CA 3.49Å; D171-T173 WeakPolarHBondContact OD1-CB 3.32Å; D171-T173 PolarHBondContact OD1-N 2.8Å; D171-S174 PolarHBondContact OD1-N 2.87Å; D171-S174 WeakPolarHBondContact OD2-CB 3.45Å; D171-S174 PolarHBondContact OD2-OG 2.74Å; D171-L175 VanDerWaalsContact O-CA 3.25Å; D171-L175 WeakPolarHBondContact O-CA 3.42Å; D171-L175 PolarHBondContact O-N 2.89Å; D171-A176 PolarHBondContact N-O 2.65Å; D171-A176 PolarHBondContact O-N 2.92Å; D171-A176 VanDerWaalsContact O-N 3.09Å
172	L	92.9	Very high	90.8	Very high	9 Å²	9	54.4 Å²	54.4	5%	0.047	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-10	-176.7	-68.3	172.5	0	0	0	112.4	W128 L148 Y152 Q156 G157 A159 V170	W128-L172 HydrophobicContact CH2-CD2 3.64Å; W128-L172 HydrophobicContact CZ2-CD2 4.29Å; W128-L172 HydrophobicContact CZ3-CD2 3.93Å; L148-L172 HydrophobicContact CD2-CD2 4.13Å; Y152-L172 HydrophobicContact CD2-CB 4.4Å; Q156-L172 WeakPolarHBondContact O-CD1 3.46Å; G157-L172 PolarHBondContact O-N 2.95Å; A159-L172 HydrophobicContact CB-CD1 3.98Å; A159-L172 HydrophobicContact CB-CG 4.43Å; V170-L172 HydrophobicContact CG1-CD2 3.97Å; V170-L172 HydrophobicContact CG1-CG 4.5Å; V170-L172 PolarHBondContact O-N 2.87Å
173	T	91.2	Very high	91.1	Very high	117 Å²	117	55.1 Å²	55.1	72%	0.718	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-45.3	177.3	-52.6	0	0	0	0	110.6	D171	D171-T173 VanDerWaalsContact C-N 3.29Å; D171-T173 WeakPolarHBondContact OD1-CA 3.49Å; D171-T173 WeakPolarHBondContact OD1-CB 3.32Å; D171-T173 PolarHBondContact OD1-N 2.8Å
174	S	92.3	Very high	91.4	Very high	63 Å²	63	55 Å²	55	44%	0.441	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-2.5	174.5	72	0	0	0	0	114.5	D171 A176	D171-S174 PolarHBondContact OD1-N 2.87Å; D171-S174 WeakPolarHBondContact OD2-CB 3.45Å; D171-S174 PolarHBondContact OD2-OG 2.74Å; S174-A176 PolarHBondContact O-N 3.29Å
175	L	95.1	Very high	92	Very high	65 Å²	65	58.9 Å²	58.9	34%	0.34	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	53.2	-177.8	-64.3	177.8	0	0	0	112.1	W128 D171 V188	W128-L175 HydrophobicContact CH2-CD2 4.05Å; W128-L175 HydrophobicContact CZ3-CD2 3.78Å; D171-L175 VanDerWaalsContact O-CA 3.25Å; D171-L175 WeakPolarHBondContact O-CA 3.42Å; D171-L175 PolarHBondContact O-N 2.89Å; L175-V188 WeakPolarHBondContact CB-O 3.44Å; L175-V188 PolarHBondContact O-N 3.31Å
176	A	94.8	Very high	92.5	Very high	11 Å²	11	57.3 Å²	57.3	9%	0.091	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	132.4	-178.8	0	0	0	0	0	111.7	D171 S174 R186	D171-A176 PolarHBondContact N-O 2.65Å; D171-A176 PolarHBondContact O-N 2.92Å; D171-A176 VanDerWaalsContact O-N 3.09Å; S174-A176 PolarHBondContact O-N 3.29Å; A176-R186 CarbonylContact C-O 3.14Å; A176-R186 VanDerWaalsContact CA-O 3.3Å; A176-R186 WeakPolarHBondContact CA-O 3.19Å
177	Q	95.3	Very high	92.9	Very high	6 Å²	6	62 Å²	62	3%	0.028	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	138.4	164.9	66.4	174.8	-9.1	0	0	110.1	W130 Y140 I169 V170 R185 R186 V188	W130-Q177 VanDerWaalsContact CE3-NE2 3.27Å; Y140-Q177 PolarHBondContact OH-OE1 2.81Å; I169-Q177 CarbonylContact O-C 3.43Å; I169-Q177 WeakPolarHBondContact O-CA 3.46Å; V170-Q177 HydrophobicContact CG2-CB 4Å; Q177-R185 CarbonylContact O-C 3.48Å; Q177-R185 VanDerWaalsContact O-CA 3.3Å; Q177-R185 WeakPolarHBondContact O-CA 3.41Å; Q177-R186 HydrophobicContact CG-CB 3.77Å; Q177-R186 PolarHBondContact N-O 2.96Å; Q177-R186 PolarHBondContact O-N 3.49Å; Q177-V188 HydrophobicContact CB-CG2 3.75Å; Q177-V188 HydrophobicContact CG-CG2 3.93Å
178	V	93.6	Very high	93.2	Very high	29 Å²	29	58.8 Å²	58.8	18%	0.176	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125.6	-179.6	-167.8	0	0	0	0	108.1	Y168 I169 K180 F184 R185	Y168-V178 CarbonylContact C-O 3.38Å; Y168-V178 VanDerWaalsContact CA-O 3.29Å; Y168-V178 WeakPolarHBondContact CA-O 3.22Å; I169-V178 PolarHBondContact N-O 3.46Å; I169-V178 PolarHBondContact O-N 3.44Å; V178-K180 PolarHBondContact O-N 2.91Å; V178-F184 WeakPolarHBondContact CA-O 3.3Å; V178-R185 HydrophobicContact CG1-CG 4.24Å; V178-R185 HydrophobicContact CG2-CG 4.11Å
179	N	92.8	Very high	93.3	Very high	22 Å²	22	59.5 Å²	59.5	12%	0.118	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	127	173.4	-175.5	-61.5	0	0	0	109.8	Y168 S181 T182 G183 F184	Y168-N179 HydrophobicContact CD1-CB 3.92Å; Y168-N179 HydrophobicContact CE1-CB 3.69Å; N179-S181 VanDerWaalsContact C-N 3.32Å; N179-S181 PolarHBondContact O-N 3.1Å; N179-S181 PolarHBondContact OD1-N 2.93Å; N179-S181 PolarHBondContact OD1-OG 3.29Å; N179-T182 WeakPolarHBondContact CB-OG1 3.17Å; N179-T182 VanDerWaalsContact CG-OG1 3.29Å; N179-T182 PolarHBondContact OD1-N 3.41Å; N179-T182 PolarHBondContact OD1-OG1 1.77Å; N179-G183 VanDerWaalsContact O-CA 3.3Å; N179-G183 WeakPolarHBondContact O-CA 3.4Å; N179-G183 PolarHBondContact O-N 2.93Å; N179-F184 HydrophobicContact CB-CB 4.42Å; N179-F184 PolarHBondContact N-O 3.22Å
180	K	90.1	Very high	93.2	Very high	91 Å²	91	60.3 Å²	60.3	40%	0.396	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-29.7	-175.7	-62.7	-177.5	-179.9	-176.3	0	113.8	D160 N167 I169 V178	D160-K180 WeakPolarHBondContact OD1-CE 3.19Å; D160-K180 IonicContact OD1-NZ 3.38Å; D160-K180 PolarHBondContact OD1-NZ 3.04Å; D160-K180 IonicContact OD2-NZ 2.74Å; D160-K180 PolarHBondContact OD2-NZ 2.9Å; N167-K180 PolarHBondContact O-N 3.02Å; N167-K180 WeakPolarHBondContact OD1-CB 3.28Å; I169-K180 HydrophobicContact CD1-CD 4.4Å; I169-K180 HydrophobicContact CD1-CG 4.14Å; I169-K180 HydrophobicContact CG1-CD 4.25Å; I169-K180 VanDerWaalsContact CG1-CE 3.44Å; I169-K180 HydrophobicContact CG1-CG 3.93Å; V178-K180 PolarHBondContact O-N 2.91Å
181	S	89.3	Confident	92.9	Very high	90 Å²	90	63.2 Å²	63.2	63%	0.629	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-30.5	-177.2	56.9	0	0	0	0	113.7	N167 N179	N167-S181 PolarHBondContact ND2-OG 2.96Å; N167-S181 VanDerWaalsContact ND2-OG 3.1Å; N179-S181 VanDerWaalsContact C-N 3.32Å; N179-S181 PolarHBondContact O-N 3.1Å; N179-S181 PolarHBondContact OD1-N 2.93Å; N179-S181 PolarHBondContact OD1-OG 3.29Å
182	T	90.8	Very high	92.3	Very high	99 Å²	99	64.1 Å²	64.1	61%	0.607	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-10.6	-177	67	0	0	0	0	114.6	N179 F184	N179-T182 WeakPolarHBondContact CB-OG1 3.17Å; N179-T182 VanDerWaalsContact CG-OG1 3.29Å; N179-T182 PolarHBondContact OD1-N 3.41Å; N179-T182 PolarHBondContact OD1-OG1 1.77Å; T182-F184 PolarHBondContact O-N 2.84Å; T182-F184 VanDerWaalsContact O-N 3.08Å; T182-F184 WeakPolarHBondContact OG1-CB 3.12Å; T182-F184 PolarHBondContact OG1-N 3.1Å
183	G	91.1	Very high	91.5	Very high	44 Å²	44	66.8 Å²	66.8	45%	0.454	35%	0.353	S	S	.	.			trans	68	-1.4	-173	0	0	0	0	0	114.6	N179 R185	N179-G183 VanDerWaalsContact O-CA 3.3Å; N179-G183 WeakPolarHBondContact O-CA 3.4Å; N179-G183 PolarHBondContact O-N 2.93Å; G183-R185 PolarHBondContact O-N 3.38Å
184	F	91.7	Very high	91	Very high	107 Å²	107	65.9 Å²	65.9	47%	0.469	34%	0.343	S	S	.	.			trans	-61.9	134.6	-177.2	-173.3	-96.7	0	0	0	111.3	V178 N179 T182 R186	V178-F184 WeakPolarHBondContact CA-O 3.3Å; N179-F184 HydrophobicContact CB-CB 4.42Å; N179-F184 PolarHBondContact N-O 3.22Å; T182-F184 PolarHBondContact O-N 2.84Å; T182-F184 VanDerWaalsContact O-N 3.08Å; T182-F184 WeakPolarHBondContact OG1-CB 3.12Å; T182-F184 PolarHBondContact OG1-N 3.1Å; F184-R186 HydrophobicContact CD1-CG 4.09Å; F184-R186 HydrophobicContact CE1-CG 3.67Å
185	R	93.4	Very high	90.7	Very high	146 Å²	146	66.3 Å²	66.3	55%	0.551	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	140.2	-174.2	-63.5	-166.4	165.9	-132.3	-1	112.1	Q177 V178 G183	Q177-R185 CarbonylContact O-C 3.48Å; Q177-R185 VanDerWaalsContact O-CA 3.3Å; Q177-R185 WeakPolarHBondContact O-CA 3.41Å; V178-R185 HydrophobicContact CG1-CG 4.24Å; V178-R185 HydrophobicContact CG2-CG 4.11Å; G183-R185 PolarHBondContact O-N 3.38Å
186	R	94	Very high	90.3	Very high	41 Å²	41	63.8 Å²	63.8	16%	0.155	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	145.1	169.3	-61.6	174	177.7	-74.6	-2.8	109.6	D133 A176 Q177 F184	D133-R186 IonicContact OD1-CZ 2.71Å; D133-R186 IonicContact OD1-NH1 2.73Å; D133-R186 PolarHBondContact OD1-NH1 2.83Å; D133-R186 IonicContact OD1-NH2 3.29Å; D133-R186 PolarHBondContact OD1-NH2 2.8Å; D133-R186 IonicContact OD2-CZ 3.67Å; D133-R186 IonicContact OD2-NH1 2.7Å; D133-R186 PolarHBondContact OD2-NH1 2.94Å; D133-R186 IonicContact OD2-NH2 3.68Å; D133-R186 PolarHBondContact OD2-NH2 2.77Å; A176-R186 CarbonylContact C-O 3.14Å; A176-R186 VanDerWaalsContact CA-O 3.3Å; A176-R186 WeakPolarHBondContact CA-O 3.19Å; Q177-R186 HydrophobicContact CG-CB 3.77Å; Q177-R186 PolarHBondContact N-O 2.96Å; Q177-R186 PolarHBondContact O-N 3.49Å; F184-R186 HydrophobicContact CD1-CG 4.09Å; F184-R186 HydrophobicContact CE1-CG 3.67Å
187	Q	95.6	Very high	90	Very high	132 Å²	132	64.4 Å²	64.4	62%	0.617	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.1	148.3	174.6	-65.7	-173.9	0.9	0	0	111	W130 A131 W137	W130-Q187 WeakPolarHBondContact CA-O 3.45Å; A131-Q187 HydrophobicContact CB-CB 4.2Å; A131-Q187 PolarHBondContact N-O 2.93Å; W137-Q187 HydrophobicContact CH2-CB 3.77Å; W137-Q187 HydrophobicContact CZ3-CB 4.4Å
188	V	96.6	Very high	89.6	Confident	5 Å²	5	69 Å²	69	3%	0.03	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150.1	175.9	168.8	0	0	0	0	107.6	W128 E129 W130 Y140 V170 L175 Q177	W128-V188 HydrophobicContact CE3-CG1 3.56Å; W128-V188 HydrophobicContact CZ3-CG1 3.89Å; E129-V188 CarbonylContact O-C 3.52Å; E129-V188 VanDerWaalsContact O-CA 3.3Å; E129-V188 WeakPolarHBondContact O-CA 3.34Å; W130-V188 HydrophobicContact CB-CG2 4.18Å; Y140-V188 HydrophobicContact CE2-CG1 4.13Å; Y140-V188 HydrophobicContact CE2-CG2 4.23Å; Y140-V188 VanDerWaalsContact OH-CG2 3.31Å; Y140-V188 WeakPolarHBondContact OH-CG2 3.46Å; V170-V188 HydrophobicContact CG1-CB 4.38Å; V170-V188 HydrophobicContact CG1-CG1 4.09Å; V170-V188 HydrophobicContact CG1-CG2 4.27Å; L175-V188 WeakPolarHBondContact CB-O 3.44Å; L175-V188 PolarHBondContact O-N 3.31Å; Q177-V188 HydrophobicContact CB-CG2 3.75Å; Q177-V188 HydrophobicContact CG-CG2 3.93Å
189	R	94.9	Very high	89	Confident	78 Å²	78	68.9 Å²	68.9	29%	0.294	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	147.5	172.9	69	-174.5	-171.4	-176.7	1.9	111.7	W128 E129 W137 Q191	W128-R189 WeakPolarHBondContact CA-O 3.35Å; E129-R189 HydrophobicContact CB-CG 4.13Å; E129-R189 PolarHBondContact N-O 3.31Å; E129-R189 PolarHBondContact O-N 2.89Å; E129-R189 IonicContact OE2-CZ 3.12Å; E129-R189 IonicContact OE2-NE 2.71Å; E129-R189 PolarHBondContact OE2-NE 3.31Å; E129-R189 IonicContact OE2-NH2 2.69Å; E129-R189 PolarHBondContact OE2-NH2 3.4Å; W137-R189 VanDerWaalsContact CD1-CZ 3.49Å; W137-R189 VanDerWaalsContact CD1-NH1 3.32Å; W137-R189 HydrophobicContact CD2-CG 4.2Å; W137-R189 VanDerWaalsContact CD2-CZ 3.49Å; W137-R189 HydrophobicContact CE3-CB 4.44Å; W137-R189 VanDerWaalsContact CE3-CD 3.49Å; W137-R189 HydrophobicContact CE3-CG 3.57Å; W137-R189 HydrophobicContact CH2-CB 4.12Å; W137-R189 HydrophobicContact CH2-CG 4.05Å; W137-R189 HydrophobicContact CZ3-CB 3.86Å; W137-R189 HydrophobicContact CZ3-CG 3.49Å; W137-R189 VanDerWaalsContact CZ3-CG 3.49Å; R189-Q191 HydrophobicContact CG-CG 4.16Å; R189-Q191 VanDerWaalsContact CZ-NE2 3.34Å; R189-Q191 VanDerWaalsContact NE-NE2 3.14Å
190	R	92.3	Very high	87.7	Confident	75 Å²	75	71.6 Å²	71.6	28%	0.283	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.3	170	-174.6	-176.9	179.2	-78.9	3.6	108.4	V126 W128 E149 C192	V126-R190 HydrophobicContact CG1-CG 3.87Å; V126-R190 VanDerWaalsContact CG1-CZ 3.5Å; W128-R190 HydrophobicContact CD2-CB 4.01Å; W128-R190 HydrophobicContact CD2-CG 4.26Å; W128-R190 HydrophobicContact CE3-CB 4.03Å; W128-R190 HydrophobicContact CH2-CB 3.8Å; W128-R190 HydrophobicContact CH2-CG 4.3Å; W128-R190 HydrophobicContact CZ2-CB 3.74Å; W128-R190 HydrophobicContact CZ2-CG 3.73Å; W128-R190 HydrophobicContact CZ3-CB 3.94Å; E149-R190 IonicContact OE1-CZ 3.47Å; E149-R190 IonicContact OE1-NE 3.37Å; E149-R190 PolarHBondContact OE1-NE 3.39Å; E149-R190 IonicContact OE1-NH2 2.72Å; E149-R190 PolarHBondContact OE1-NH2 2.95Å; E149-R190 IonicContact OE2-CZ 3.55Å; E149-R190 IonicContact OE2-NE 2.75Å; E149-R190 PolarHBondContact OE2-NE 2.73Å; E149-R190 IonicContact OE2-NH2 3.57Å; R190-C192 PolarHBondContact NH1-SG 2.92Å
191	Q	88.9	Confident	85.8	Confident	61 Å²	61	72.7 Å²	72.7	29%	0.285	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	154.8	178.5	-69.6	-66.7	9	0	0	111.7	V126 Y127 R189	V126-Q191 WeakPolarHBondContact CA-O 3.48Å; Y127-Q191 HydrophobicContact CD1-CB 4.03Å; Y127-Q191 HydrophobicContact CE1-CB 3.4Å; Y127-Q191 VanDerWaalsContact CE1-CB 3.4Å; Y127-Q191 HydrophobicContact CE2-CB 4.18Å; Y127-Q191 PolarHBondContact N-O 3.25Å; Y127-Q191 PolarHBondContact O-N 3.48Å; R189-Q191 HydrophobicContact CG-CG 4.16Å; R189-Q191 VanDerWaalsContact CZ-NE2 3.34Å; R189-Q191 VanDerWaalsContact NE-NE2 3.14Å
192	C	81.8	Confident	83.7	Confident	56 Å²	56	71.2 Å²	71.2	38%	0.378	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	111	176.7	-62.3	0	0	0	0	109.1	R190	R190-C192 PolarHBondContact NH1-SG 2.92Å
193	N	76.8	Confident	81.1	Confident	65 Å²	65	72.4 Å²	72.4	35%	0.348	41%	0.408	S	S	.	.			trans	-104.6	-173.2	170.2	-78.2	-9.7	0	0	0	110.1	G125 Y127	G125-N193 PolarHBondContact O-N 3.09Å; Y127-N193 HydrophobicContact CD1-CB 4.49Å; Y127-N193 HydrophobicContact CE1-CB 3.91Å; Y127-N193 WeakPolarHBondContact CE1-ND2 3.24Å; Y127-N193 VanDerWaalsContact CZ-ND2 3.29Å; Y127-N193 PolarHBondContact OH-ND2 3.31Å
194	L	80.9	Confident	78.5	Confident	98 Å²	98	75.7 Å²	75.7	51%	0.513	42%	0.421	S	S	.	.	S	Bend	trans	-51.7	139.4	166.6	-125.2	83.2	0	0	0	110.7	G53 Q54	G53-L194 WeakPolarHBondContact CA-O 3.35Å; Q54-L194 HydrophobicContact CB-CB 4.31Å; Q54-L194 HydrophobicContact CB-CD2 4.5Å
195	P	84.4	Confident	76	Confident	71 Å²	71	75.8 Å²	75.8	46%	0.461	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-52.4	145	169.8	-29.3	37.4	0	0	0	113.2
196	Y	88.3	Confident	73.5	Confident	13 Å²	13	75.3 Å²	75.3	5%	0.051	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-67.2	144.2	171.2	-72.3	-84.8	0	0	0	110.7	V38 Y51 L122	V38-Y196 HydrophobicContact CB-CD1 4.19Å; V38-Y196 HydrophobicContact CB-CE1 4.21Å; V38-Y196 HydrophobicContact CG1-CD1 4.22Å; V38-Y196 HydrophobicContact CG1-CE1 3.73Å; V38-Y196 HydrophobicContact CG2-CD1 3.74Å; V38-Y196 HydrophobicContact CG2-CD2 4.27Å; V38-Y196 HydrophobicContact CG2-CE1 3.99Å; V38-Y196 HydrophobicContact CG2-CE2 4.49Å; V38-Y196 HydrophobicContact CG2-CG 3.9Å; Y51-Y196 VanDerWaalsContact O-CE1 3.31Å; Y51-Y196 WeakPolarHBondContact O-CE1 3.48Å; Y51-Y196 PolarHBondContact O-OH 2.82Å; Y51-Y196 VanDerWaalsContact O-OH 3.06Å; L122-Y196 HydrophobicContact CB-CD2 4.26Å; L122-Y196 HydrophobicContact CD2-CE2 4.13Å; L122-Y196 WeakPolarHBondContact O-CD2 3.36Å
197	P	88.1	Confident	70.9	Confident	24 Å²	24	79.5 Å²	79.5	16%	0.156	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-64	147.9	-179.5	29.8	-38.6	0	0	0	111.6	I36 A37 A57 E60	I36-P197 CarbonylContact C-O 3.51Å; I36-P197 VanDerWaalsContact CA-O 3.27Å; I36-P197 WeakPolarHBondContact CA-O 3.4Å; A37-P197 HydrophobicContact CB-CG 4.37Å; A37-P197 PolarHBondContact N-O 3.18Å; A37-P197 WeakPolarHBondContact O-CD 3.17Å; A57-P197 HydrophobicContact CB-CB 4.18Å; A57-P197 HydrophobicContact CB-CG 4.22Å; E60-P197 HydrophobicContact CB-CB 4.45Å; E60-P197 HydrophobicContact CB-CG 4.27Å; E60-P197 HydrophobicContact CG-CB 4.14Å; E60-P197 HydrophobicContact CG-CG 3.59Å
198	L	86.8	Confident	68.3	Low	102 Å²	102	77.1 Å²	77.1	53%	0.534	48%	0.475	S	S	.	.	B	Isolated β-bridge	trans	-64.7	135	164.9	-71.8	174	0	0	0	109.7	P34 I36 Q118 S200	P34-L198 HydrophobicContact CB-CD2 4.19Å; I36-L198 HydrophobicContact CG2-CD2 4.25Å; Q118-L198 HydrophobicContact CG-CD2 4.4Å; L198-S200 PolarHBondContact O-N 3.34Å
199	A	80.1	Confident	65.8	Low	26 Å²	26	82.7 Å²	82.7	22%	0.215	52%	0.515	C	S	.	.			trans	-69.6	113.7	176.7	0	0	0	0	0	109.7	M35 A37 L115 S201	M35-A199 HydrophobicContact CB-CB 4.29Å; M35-A199 WeakPolarHBondContact O-CB 3.4Å; M35-A199 PolarHBondContact O-N 2.83Å; A37-A199 HydrophobicContact CB-CB 4.18Å; L115-A199 HydrophobicContact CD2-CB 3.48Å; L115-A199 VanDerWaalsContact CD2-CB 3.48Å; A199-S201 PolarHBondContact O-N 2.75Å
200	S	65.9	Low	63.6	Low	79 Å²	79	81.1 Å²	81.1	55%	0.552	52%	0.515	S	S	*	.			trans	-62.4	135.1	170.3	-167.3	0	0	0	0	109.7	L198 G202	L198-S200 PolarHBondContact O-N 3.34Å; S200-G202 PolarHBondContact O-N 3.31Å; S200-G202 VanDerWaalsContact O-N 3.09Å
201	S	49.3	Very low	61.4	Low	115 Å²	115	85.7 Å²	85.7	80%	0.804	54%	0.539	S	S	*	.			trans	-67.6	106.8	174.8	54.7	0	0	0	0	109.2	A199	A199-S201 PolarHBondContact O-N 2.75Å
202	G	45.2	Very low	59.5	Low	58 Å²	58	90.6 Å²	90.6	60%	0.598	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-62.5	164	174.5	0	0	0	0	0	112.5	S200	S200-G202 PolarHBondContact O-N 3.31Å; S200-G202 VanDerWaalsContact O-N 3.09Å
203	P	36.9	Very low	58	Low	125 Å²	125	91.1 Å²	91.1	81%	0.812	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-61.4	153.3	178.1	27.6	-34.8	0	0	0	111.7
204	P	37.5	Very low	56.4	Low	112 Å²	112	94.5 Å²	94.5	73%	0.727	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-63.5	162.3	175.9	28.8	-35.5	0	0	0	111.7
205	P	39.2	Very low	54.6	Low	110 Å²	110	93.5 Å²	93.5	71%	0.714	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-57.3	152.8	175.5	25.7	-35.6	0	0	0	111.8	T207	P205-T207 PolarHBondContact O-N 2.73Å; P205-T207 VanDerWaalsContact O-N 3.09Å
206	P	40.9	Very low	52.7	Low	136 Å²	136	97.9 Å²	97.9	88%	0.883	60%	0.598	S	S	*	*			trans	-63.9	113.5	-172.9	25.8	-34.6	0	0	0	111.5
207	T	38.4	Very low	50.2	Low	129 Å²	129	102.1 Å²	102.1	79%	0.791	63%	0.63	S	S	*	*			trans	-80.9	141.4	169.8	47.9	0	0	0	0	110.5	P205 S209	P205-T207 PolarHBondContact O-N 2.73Å; P205-T207 VanDerWaalsContact O-N 3.09Å; T207-S209 PolarHBondContact O-N 2.82Å
208	C	42.3	Very low	47.9	Very low	81 Å²	81	106.3 Å²	106.3	55%	0.547	66%	0.66	S	S	.	*			trans	-60.8	128	-176	-170.8	0	0	0	0	112.6	C210	C208-C210 HydrophobicContact CB-CB 4.49Å; C208-C210 WeakPolarHBondContact CB-SG 3.27Å; C208-C210 PolarHBondContact O-N 2.96Å; C208-C210 VanDerWaalsContact O-N 3.14Å; C208-C210 WeakPolarHBondContact SG-CB 3.36Å; C208-C210 PolarHBondContact SG-N 3.29Å; C208-C210 VanDerWaalsContact SG-N 3.43Å; C208-C210 CovalentContact SG-SG 2.05Å; C208-C210 PolarHBondContact SG-SG 2.96Å
209	S	42.1	Very low	45.6	Very low	123 Å²	123	108.1 Å²	108.1	86%	0.86	68%	0.676	S	S	*	*			trans	-75.2	9.9	173.9	-37.9	0	0	0	0	114.1	T207	T207-S209 PolarHBondContact O-N 2.82Å
210	C	48.7	Very low	43.5	Very low	44 Å²	44	110 Å²	110	30%	0.297	70%	0.697	S	S	.	*			trans	-79.9	127.5	-174.3	46.3	0	0	0	0	111.7	C208 Q212 C213	C208-C210 HydrophobicContact CB-CB 4.49Å; C208-C210 WeakPolarHBondContact CB-SG 3.27Å; C208-C210 PolarHBondContact O-N 2.96Å; C208-C210 VanDerWaalsContact O-N 3.14Å; C208-C210 WeakPolarHBondContact SG-CB 3.36Å; C208-C210 PolarHBondContact SG-N 3.29Å; C208-C210 VanDerWaalsContact SG-N 3.43Å; C208-C210 CovalentContact SG-SG 2.05Å; C208-C210 PolarHBondContact SG-SG 2.96Å; C210-Q212 PolarHBondContact O-N 2.88Å; C210-C213 PolarHBondContact O-N 2.99Å; C210-C213 PolarHBondContact SG-SG 3.36Å
211	Q	47	Very low	42	Very low	171 Å²	171	112.6 Å²	112.6	80%	0.799	71%	0.712	S	S	*	*	H	α-helix	trans	-58.7	-20.4	-178.2	-85	175.6	-36.4	0	0	114.3	S215	Q211-S215 PolarHBondContact O-N 2.85Å; Q211-S215 PolarHBondContact O-OG 2.78Å
212	Q	50	Low	41	Very low	165 Å²	165	115.8 Å²	115.8	77%	0.771	72%	0.717	S	S	*	*	H	α-helix	trans	-75.6	-22	174	-78.2	171.5	-30.3	0	0	114.1	C210 S215	C210-Q212 PolarHBondContact O-N 2.88Å; Q212-S215 WeakPolarHBondContact CA-OG 3.4Å; Q212-S215 PolarHBondContact O-OG 2.96Å
213	C	48.5	Very low	40.7	Very low	67 Å²	67	118 Å²	118	45%	0.453	72%	0.721	S	S	.	*	H	α-helix	trans	-83.4	-28.8	172.5	-73.4	0	0	0	0	112.5	C210 S215 S217	C210-C213 PolarHBondContact O-N 2.99Å; C210-C213 PolarHBondContact SG-SG 3.36Å; C213-S215 VanDerWaalsContact C-N 3.28Å; C213-S215 PolarHBondContact O-N 3.47Å; C213-S217 PolarHBondContact O-OG 2.98Å; C213-S217 VanDerWaalsContact O-OG 3.12Å
214	L	45	Very low	40.5	Very low	136 Å²	136	117.4 Å²	117.4	71%	0.712	72%	0.719	S	S	*	*	H	α-helix	trans	-71.4	-21	175.2	-77	161.5	0	0	0	113.2
215	S	43.1	Very low	40.1	Very low	77 Å²	77	123.9 Å²	123.9	54%	0.538	73%	0.729	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.7	-11.6	-179	27	0	0	0	0	114.4	Q211 Q212 C213	Q211-S215 PolarHBondContact O-N 2.85Å; Q211-S215 PolarHBondContact O-OG 2.78Å; Q212-S215 WeakPolarHBondContact CA-OG 3.4Å; Q212-S215 PolarHBondContact O-OG 2.96Å; C213-S215 VanDerWaalsContact C-N 3.28Å; C213-S215 PolarHBondContact O-N 3.47Å
216	H	43.3	Very low	39.6	Very low	162 Å²	162	123.9 Å²	123.9	75%	0.75	73%	0.732	S	S	*	*	S	Bend	trans	-130.7	56.2	179.8	-65.6	-71.9	0	0	0	112.5
217	S	36.8	Very low	38.9	Very low	103 Å²	103	127.7 Å²	127.7	72%	0.72	73%	0.728	S	S	*	*			trans	-115.2	69.1	175.9	-71.8	0	0	0	0	112.2	C213	C213-S217 PolarHBondContact O-OG 2.98Å; C213-S217 VanDerWaalsContact O-OG 3.12Å
218	S	40	Very low	38.4	Very low	111 Å²	111	129.4 Å²	129.4	78%	0.776	73%	0.727	S	S	*	*			trans	-147.5	30.4	176	55.1	0	0	0	0	115.5
219	T	38.2	Very low	37.9	Very low	141 Å²	141	130.3 Å²	130.3	87%	0.865	74%	0.735	S	S	*	*	S	Bend	trans	-146.9	136.7	161.7	41.7	0	0	0	0	110.7
220	G	35.8	Very low	37.2	Very low	65 Å²	65	133.7 Å²	133.7	67%	0.67	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-72.7	173.7	-178.3	0	0	0	0	0	114.8	M222	G220-M222 PolarHBondContact O-N 3.44Å
221	P	33.7	Very low	36.2	Very low	133 Å²	133	136.5 Å²	136.5	86%	0.864	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-74.2	117.4	-173.2	29.2	-34.3	0	0	0	112.7
222	M	29.2	Very low	35.3	Very low	183 Å²	183	133.6 Å²	133.6	90%	0.901	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-89.3	131	162.2	-93.4	-73.2	-171.4	0	0	110.1	G220	G220-M222 PolarHBondContact O-N 3.44Å
223	P	38.4	Very low	34.3	Very low	105 Å²	105	130.7 Å²	130.7	68%	0.682	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-82.8	156.1	172	33.7	-33.2	0	0	0	112
224	S	31.6	Very low	33.3	Very low	112 Å²	112	133 Å²	133	78%	0.783	77%	0.767	S	S	*	*			trans	74.1	116.8	173.7	81.1	0	0	0	0	117.9
225	R	30.2	Very low	32.7	Very low	247 Å²	247	134.2 Å²	134.2	93%	0.932	77%	0.774	S	S	*	*				-169.4	149.6	102	-98.2	175.5	-178.3	-128.9	0.1	110.9
226	S	27.8	Very low	32	Very low	110 Å²	110	138.4 Å²	138.4	77%	0.769	79%	0.79	S	S	*	*			trans	-105.3	151	176.8	-56.6	0	0	0	0	111.3
227	R	27.8	Very low	31.5	Very low	216 Å²	216	139.9 Å²	139.9	82%	0.815	79%	0.789	S	S	*	*			trans	70.8	148.9	161.2	-135.6	176.5	-85.3	-99.3	4.7	112.3
228	H	27.8	Very low	31.5	Very low	166 Å²	166	141 Å²	141	77%	0.769	79%	0.794	S	S	*	*			cis	-144.2	167.2	30.4	-69.1	-108.6	0	0	0	114.1
229	S	30.8	Very low	31	Very low	100 Å²	100	140.1 Å²	140.1	70%	0.699	78%	0.784	S	S	*	*			trans	-68.9	163.8	171.9	-35.1	0	0	0	0	113.9
230	F	26.7	Very low	30.8	Very low	194 Å²	194	139.6 Å²	139.6	85%	0.851	78%	0.775	S	S	*	*			trans	166	115.3	140.3	-77.3	-51.9	0	0	0	106.5
231	S	28.2	Very low	30.6	Very low	103 Å²	103	144.9 Å²	144.9	72%	0.72	78%	0.782	S	S	*	*				91.4	133.4	71.2	-69	0	0	0	0	115
232	S	29	Very low	30.3	Very low	110 Å²	110	141.3 Å²	141.3	77%	0.769	77%	0.77	S	S	*	*			trans	80.9	120.2	155.8	68.2	0	0	0	0	122.1
233	S	27.3	Very low	30.4	Very low	104 Å²	104	140 Å²	140	73%	0.727	77%	0.772	S	S	*	*			trans	46.9	136.3	138.4	54.6	0	0	0	0	120.7
234	S	27.8	Very low	29.9	Very low	114 Å²	114	138.5 Å²	138.5	80%	0.797	78%	0.776	S	S	*	*				-163.6	162.2	59.1	-59.3	0	0	0	0	114
235	L	33.3	Very low	29.9	Very low	162 Å²	162	145.6 Å²	145.6	85%	0.848	79%	0.785	S	S	*	*			trans	-67.3	151.6	169.7	-61.1	103.6	0	0	0	112
236	N	29.2	Very low	29.8	Very low	166 Å²	166	140.8 Å²	140.8	89%	0.888	78%	0.783	S	S	*	*				-160.2	140.5	118.8	-113.6	-19.4	0	0	0	114.5
237	R	31.9	Very low	29.8	Very low	192 Å²	192	139.9 Å²	139.9	73%	0.725	78%	0.782	S	S	*	*			trans	-89.8	162.4	161.8	-151.9	-169.3	-166.3	-169.3	5.6	107.5	V239	R237-V239 HydrophobicContact CG-CG2 4.46Å
238	P	36.2	Very low	29.7	Very low	127 Å²	127	134 Å²	134	83%	0.825	78%	0.78	S	S	*	*				-141.9	171	102.4	30.5	-13.1	0	0	0	114.3
239	V	29.6	Very low	29.7	Very low	92 Å²	92	129.9 Å²	129.9	56%	0.558	78%	0.775	S	S	*	*			trans	-135.6	144.3	174.6	155.4	0	0	0	0	106.3	R237	R237-V239 HydrophobicContact CG-CG2 4.46Å
240	L	33.7	Very low	29.6	Very low	131 Å²	131	134 Å²	134	69%	0.686	78%	0.782	S	S	*	*				162.9	133.1	120.8	-160.6	68.4	0	0	0	114
241	Q	32.3	Very low	30.2	Very low	176 Å²	176	130.6 Å²	130.6	82%	0.822	78%	0.78	S	S	*	*			trans	57.1	149.8	153.6	-75.1	156.7	1	0	0	121.7
242	G	27.9	Very low	30.2	Very low	58 Å²	58	130.6 Å²	130.6	60%	0.598	79%	0.786	S	S	*	*			cis	173.3	170.8	-6.9	0	0	0	0	0	115.3
243	T	31.5	Very low	30.1	Very low	156 Å²	156	131.1 Å²	131.1	96%	0.957	79%	0.79	S	S	*	*			trans	59.8	136.8	163.6	61.7	0	0	0	0	119.9
244	G	27.4	Very low	30.2	Very low	73 Å²	73	132.7 Å²	132.7	75%	0.753	79%	0.794	S	S	*	*			cis	152.8	138.9	-11.3	0	0	0	0	0	113.6
245	R	30.8	Very low	30.1	Very low	260 Å²	260	137.5 Å²	137.5	98%	0.981	80%	0.797	S	S	*	*			trans	178.1	160.3	150.2	-101.1	168	-175.9	-176.6	1.7	112.7
246	V	28.3	Very low	29.8	Very low	146 Å²	146	134.1 Å²	134.1	89%	0.885	79%	0.787	S	S	*	*			trans	-95	167.9	-168.2	-124.4	0	0	0	0	112
247	A	27.5	Very low	29.7	Very low	91 Å²	91	131 Å²	131	75%	0.752	78%	0.776	S	S	*	*			cis	-152.5	-165.3	8.5	0	0	0	0	0	109.9
248	A	26.8	Very low	29.6	Very low	94 Å²	94	131.8 Å²	131.8	78%	0.777	78%	0.78	S	S	*	*			cis	-158.7	167.1	6.6	0	0	0	0	0	113.9
249	A	28.3	Very low	29.5	Very low	79 Å²	79	131.8 Å²	131.8	65%	0.653	78%	0.78	S	S	*	*			trans	37.9	103.5	147.4	0	0	0	0	0	124.3
250	H	27.4	Very low	29.5	Very low	186 Å²	186	139.1 Å²	139.1	86%	0.861	80%	0.797	S	S	*	*				59.3	160.1	129.5	-59	-63.6	0	0	0	123.4
251	P	40.4	Very low	29.3	Very low	123 Å²	123	144.1 Å²	144.1	80%	0.799	81%	0.807	S	S	*	*			cis	-123	-173.9	-17.1	29.5	-8	0	0	0	114
252	A	28.1	Very low	29.2	Very low	102 Å²	102	141.9 Å²	141.9	84%	0.843	81%	0.808	S	S	*	*			trans	-70.3	152.3	-173	0	0	0	0	0	115.5
253	S	26.8	Very low	29.2	Very low	121 Å²	121	147.3 Å²	147.3	85%	0.846	82%	0.822	S	S	*	*			trans	-122.3	123.4	168	-175.6	0	0	0	0	110.5
254	V	28.4	Very low	29	Very low	137 Å²	137	145.9 Å²	145.9	83%	0.83	82%	0.819	S	S	*	*			trans	-85.2	122.3	177.7	174.6	0	0	0	0	109
255	Y	27	Very low	29	Very low	215 Å²	215	150 Å²	150	84%	0.843	83%	0.829	S	S	*	*			trans	-85.6	116.4	-179.7	-162.6	-97.1	0	0	0	111.2
256	S	26.2	Very low	28.7	Very low	92 Å²	92	141 Å²	141	64%	0.643	82%	0.817	S	S	*	*			trans	-104.7	125.7	177.7	179.1	0	0	0	0	110.9	Y258	S256-Y258 PolarHBondContact O-N 3.07Å
257	P	28.4	Very low	28.6	Very low	100 Å²	100	137.8 Å²	137.8	65%	0.649	81%	0.813	S	S	*	*			trans	-96.4	79	-174.7	37	-34.2	0	0	0	113.1
258	Y	28.5	Very low	28.6	Very low	209 Å²	209	142.1 Å²	142.1	82%	0.82	82%	0.82	S	S	*	*			trans	-137	123.3	158.5	-81.6	-74.8	0	0	0	111.5	S256	S256-Y258 PolarHBondContact O-N 3.07Å
259	P	33.7	Very low	28.6	Very low	126 Å²	126	143.7 Å²	143.7	82%	0.818	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-76.5	133.7	-177.7	29.7	-33.6	0	0	0	112.2
260	R	29.4	Very low	28.6	Very low	246 Å²	246	151.6 Å²	151.6	93%	0.928	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-69.5	144.9	174.8	-66.9	-161.4	-179	-149.9	4.7	111.8
261	R	30.4	Very low	28.6	Very low	237 Å²	237	145.5 Å²	145.5	89%	0.894	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-88.7	142.6	163.5	-71.3	-174.8	176.9	-173.5	0.1	110.7
262	P	30.6	Very low	28.1	Very low	129 Å²	129	145 Å²	145	84%	0.838	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-75.5	146.7	162.6	-9.3	26.5	0	0	0	111.1
263	L	27.2	Very low	28.2	Very low	172 Å²	172	145.7 Å²	145.7	90%	0.901	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-97.7	132.5	166.7	-72.4	169.5	0	0	0	109.8
264	S	27.3	Very low	28.4	Very low	126 Å²	126	150.8 Å²	150.8	88%	0.881	82%	0.822	S	S	*	*			trans	-157	145.9	156.7	-82.3	0	0	0	0	109.7
265	V	28.4	Very low	28.7	Very low	159 Å²	159	150 Å²	150	96%	0.964	82%	0.82	S	S	*	*			trans	-92.4	143.8	-158.1	179.8	0	0	0	0	111.9
266	G	24.7	Very low	29.3	Very low	72 Å²	72	145.2 Å²	145.2	74%	0.742	82%	0.815	S	S	*	*			trans	-177.8	85.4	171.8	0	0	0	0	0	111.6
267	G	25.9	Very low	29.9	Very low	77 Å²	77	146.4 Å²	146.4	79%	0.794	82%	0.82	S	S	*	*			trans	-84.6	129.4	178.6	0	0	0	0	0	112.1
268	M	27.8	Very low	30.2	Very low	183 Å²	183	147.5 Å²	147.5	90%	0.901	83%	0.828	S	S	*	*			trans	-142.4	122.6	168.9	-58.6	-174.2	91.8	0	0	109.5
269	S	26	Very low	30.8	Very low	127 Å²	127	143.5 Å²	143.5	89%	0.888	83%	0.827	S	S	*	*			trans	-67.6	143.2	176.3	-55.8	0	0	0	0	111.4
270	W	28.4	Very low	30.4	Very low	245 Å²	245	143.2 Å²	143.2	93%	0.928	83%	0.828	S	S	*	*			trans	-119.6	113.4	170.5	-152.2	-68.2	0	0	0	110.8
271	G	26.5	Very low	30.4	Very low	58 Å²	58	136.9 Å²	136.9	60%	0.598	83%	0.828	S	S	*	*			trans	-85.7	156.1	175.6	0	0	0	0	0	113
272	S	29.9	Very low	30.3	Very low	111 Å²	111	128.7 Å²	128.7	78%	0.776	82%	0.818	S	S	*	*			trans	-60.4	134.1	178.9	-53.4	0	0	0	0	112.9	W274	S272-W274 PolarHBondContact O-N 3.38Å
273	P	30.3	Very low	30.2	Very low	117 Å²	117	131.5 Å²	131.5	76%	0.76	82%	0.82	S	S	*	*			trans	-88.5	89.4	175.6	34	-32.5	0	0	0	111.8
274	W	31.7	Very low	30.1	Very low	229 Å²	229	131.9 Å²	131.9	87%	0.867	82%	0.819	S	S	*	*			trans	-124.2	117.2	159.7	-74.9	102.4	0	0	0	109.2	S272	S272-W274 PolarHBondContact O-N 3.38Å
275	P	34.7	Very low	30.1	Very low	120 Å²	120	131.5 Å²	131.5	78%	0.779	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-82.8	128.1	176.1	31.2	-31.6	0	0	0	111.4
276	P	39.9	Very low	30	Very low	115 Å²	115	128.2 Å²	128.2	75%	0.747	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-87.5	161	167.8	34.9	-33	0	0	0	112.3
277	P	37.5	Very low	30.8	Very low	116 Å²	116	130 Å²	130	75%	0.753	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-75.4	165.5	177.4	31.6	-35.5	0	0	0	113.7
278	P	35.8	Very low	30.8	Very low	124 Å²	124	133.8 Å²	133.8	81%	0.805	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-75.5	163.6	-169.7	30	-36.5	0	0	0	115.5
279	P	40.4	Very low	30.8	Very low	124 Å²	124	131.8 Å²	131.8	81%	0.805	79%	0.793	S	S	*	*			trans	-104.3	171	-161.9	40.8	-36.6	0	0	0	115.2
280	S	25.4	Very low	30.8	Very low	120 Å²	120	131 Å²	131	84%	0.839	79%	0.788	S	S	*	*			trans	-147.1	120.3	162.2	-78.9	0	0	0	0	111.8
281	A	29.1	Very low	30.6	Very low	113 Å²	113	123 Å²	123	93%	0.934	78%	0.781	S	S	*	*			trans	53.7	143.5	165.5	0	0	0	0	0	119.2
282	G	28.8	Very low	30.6	Very low	66 Å²	66	126 Å²	126	68%	0.68	79%	0.793	S	S	*	*			cis	166.2	162	-4.2	0	0	0	0	0	111.2
283	Q	27.7	Very low	30.9	Very low	188 Å²	188	126.3 Å²	126.3	88%	0.879	79%	0.792	S	S	*	*			trans	74.9	116.5	174.2	-61	175.1	-20.8	0	0	116.5
284	M	25.8	Very low	30.7	Very low	180 Å²	180	126.5 Å²	126.5	89%	0.887	80%	0.796	S	S	*	*				72.7	127.7	72	-54.5	-119.1	172.1	0	0	111.2
285	S	27.6	Very low	30.4	Very low	118 Å²	118	120.6 Å²	120.6	83%	0.825	80%	0.796	S	S	*	*			cis	-155.7	170	29	-61.9	0	0	0	0	114.4
286	A	25.3	Very low	30	Very low	89 Å²	89	123.2 Å²	123.2	74%	0.736	80%	0.804	S	S	*	*			trans	-93.8	-157.1	163.6	0	0	0	0	0	110.3
287	P	42.5	Very low	29.4	Very low	110 Å²	110	121 Å²	121	71%	0.714	80%	0.802	S	S	*	*			cis	-129	-180	-11.4	19	9.7	0	0	0	113.2
288	H	25.9	Very low	28.9	Very low	157 Å²	157	124 Å²	124	73%	0.727	81%	0.811	S	S	*	*				179.2	137.2	84.8	-115.4	-111.9	0	0	0	107.8
289	L	27.3	Very low	28.5	Very low	140 Å²	140	123.5 Å²	123.5	73%	0.733	81%	0.81	S	S	*	*				47.9	136.9	87.1	-64.5	168.6	0	0	0	115
290	S	25.7	Very low	28.1	Very low	112 Å²	112	123.8 Å²	123.8	78%	0.783	81%	0.809	S	S	*	*			cis	-178	147.5	-4.4	45.2	0	0	0	0	109.5
291	G	25.4	Very low	28.2	Very low	75 Å²	75	123.4 Å²	123.4	77%	0.773	80%	0.804	S	S	*	*			trans	171.5	136.5	171	0	0	0	0	0	116.9
292	S	25.7	Very low	28.2	Very low	122 Å²	122	123.8 Å²	123.8	85%	0.853	80%	0.8	S	S	*	*			trans	-156	156	174.7	-74.5	0	0	0	0	106.6
293	P	36.6	Very low	28.3	Very low	117 Å²	117	127.8 Å²	127.8	76%	0.76	80%	0.804	S	S	*	*			cis	-149.1	174.3	45.1	40.9	-19.8	0	0	0	119
294	S	25.1	Very low	28.1	Very low	121 Å²	121	124.6 Å²	124.6	85%	0.846	80%	0.802	S	S	*	*			trans	51.7	111.4	150	-63.1	0	0	0	0	122.5
295	A	25.7	Very low	28.3	Very low	105 Å²	105	121.3 Å²	121.3	87%	0.868	79%	0.792	S	S	*	*				-165.1	155.4	124.2	0	0	0	0	0	112.1
296	N	27.4	Very low	28.3	Very low	176 Å²	176	124.6 Å²	124.6	94%	0.941	79%	0.794	S	S	*	*			trans	-56.7	141.4	-174.3	-62.6	-35.7	0	0	0	115.7
297	G	27.4	Very low	28.6	Very low	67 Å²	67	128 Å²	128	69%	0.691	80%	0.799	S	S	*	*			trans	153.4	91.8	162.6	0	0	0	0	0	114.1	S299	G297-S299 PolarHBondContact O-N 2.74Å; G297-S299 VanDerWaalsContact O-N 3.12Å
298	L	25.6	Very low	28	Very low	181 Å²	181	131 Å²	131	95%	0.948	81%	0.809	S	S	*	*			trans	-81.7	85	170.8	-81.4	171.4	0	0	0	110.6
299	S	27.3	Very low	28.3	Very low	112 Å²	112	126.9 Å²	126.9	78%	0.783	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-75.4	130.2	159.9	45.1	0	0	0	0	110	G297	G297-S299 PolarHBondContact O-N 2.74Å; G297-S299 VanDerWaalsContact O-N 3.12Å
300	V	32	Very low	28.7	Very low	131 Å²	131	126 Å²	126	79%	0.794	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-93.4	134.4	173.3	178	0	0	0	0	108.4	S302	V300-S302 PolarHBondContact O-N 3.06Å
301	P	28.2	Very low	29.5	Very low	112 Å²	112	125.5 Å²	125.5	73%	0.727	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-70.6	125.9	-176.8	27	-34.4	0	0	0	112.3	I303	P301-I303 PolarHBondContact O-N 3.42Å
302	S	29.1	Very low	30.3	Very low	121 Å²	121	127.2 Å²	127.2	85%	0.846	81%	0.807	S	S	*	*			trans	-74.9	115.3	172	53.7	0	0	0	0	111	V300	V300-S302 PolarHBondContact O-N 3.06Å
303	I	31	Very low	31.1	Very low	150 Å²	150	126.2 Å²	126.2	77%	0.769	80%	0.796	S	S	*	*			trans	-91.4	113.4	171.3	-58.8	174.4	0	0	0	108.3	P301 V305	P301-I303 PolarHBondContact O-N 3.42Å; I303-V305 HydrophobicContact CG2-CG2 4.4Å; I303-V305 PolarHBondContact O-N 3.25Å
304	S	24.5	Very low	31.3	Very low	120 Å²	120	124.6 Å²	124.6	84%	0.839	79%	0.787	S	S	*	*			trans	-78	109.6	174.2	35.1	0	0	0	0	110.7
305	V	28.7	Very low	32.2	Very low	112 Å²	112	123.1 Å²	123.1	68%	0.679	78%	0.777	S	S	*	*			trans	-95.9	112	170.7	-177.6	0	0	0	0	108.9	I303 L307	I303-V305 HydrophobicContact CG2-CG2 4.4Å; I303-V305 PolarHBondContact O-N 3.25Å; V305-L307 HydrophobicContact CG1-CD2 4.21Å; V305-L307 HydrophobicContact CG1-CG 4.18Å; V305-L307 PolarHBondContact O-N 2.7Å
306	Q	27.6	Very low	33	Very low	187 Å²	187	120.9 Å²	120.9	87%	0.874	76%	0.759	S	S	*	*			trans	-89.3	104	179.2	-164.4	174.8	21.2	0	0	109.5
307	L	32.1	Very low	33.7	Very low	160 Å²	160	118.4 Å²	118.4	84%	0.838	75%	0.745	S	S	*	*			trans	-98.2	120.7	174.7	-66.9	177	0	0	0	110	V305	V305-L307 HydrophobicContact CG1-CD2 4.21Å; V305-L307 HydrophobicContact CG1-CG 4.18Å; V305-L307 PolarHBondContact O-N 2.7Å
308	N	28.9	Very low	34.6	Very low	173 Å²	173	118.3 Å²	118.3	93%	0.925	74%	0.737	S	S	*	*			trans	-110.9	102.3	-176.7	-152.1	26.5	0	0	0	109.3
309	G	32.2	Very low	35.2	Very low	70 Å²	70	111.5 Å²	111.5	72%	0.722	71%	0.711	S	S	*	*			trans	159	131	177.7	0	0	0	0	0	114.1
310	S	37.4	Very low	35.8	Very low	121 Å²	121	112 Å²	112	85%	0.846	70%	0.702	S	S	*	*			trans	-106.2	108.4	-174.8	42.5	0	0	0	0	112.8
311	T	41.4	Very low	36.3	Very low	103 Å²	103	108.1 Å²	108.1	63%	0.632	68%	0.683	S	S	*	*			trans	-150.2	153.5	156.4	52.1	0	0	0	0	110.6	V313	T311-V313 PolarHBondContact O-N 3.23Å
312	S	42.8	Very low	36.8	Very low	110 Å²	110	105.7 Å²	105.7	77%	0.769	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	10.5	-177.4	47.4	0	0	0	0	115.5	S315	S312-S315 PolarHBondContact O-OG 2.95Å
313	V	42.7	Very low	37.6	Very low	102 Å²	102	106.5 Å²	106.5	62%	0.618	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-23.3	-178	-172.7	0	0	0	0	111.8	T311 S315 A316	T311-V313 PolarHBondContact O-N 3.23Å; V313-S315 PolarHBondContact O-N 2.62Å; V313-A316 PolarHBondContact O-N 3.47Å
314	S	41.3	Very low	38.2	Very low	82 Å²	82	106.2 Å²	106.2	57%	0.573	66%	0.662	S	S	*	*	H	α-helix	trans	-70.2	-28.1	-174.2	-53.8	0	0	0	0	114.4	A318	S314-A318 PolarHBondContact O-N 3.1Å
315	S	44.1	Very low	39.1	Very low	90 Å²	90	107.6 Å²	107.6	63%	0.629	66%	0.657	S	S	*	*	H	α-helix	trans	-74	-35.7	178.2	41.9	0	0	0	0	112.7	S312 V313 L317 A318 G319	S312-S315 PolarHBondContact O-OG 2.95Å; V313-S315 PolarHBondContact O-N 2.62Å; S315-L317 VanDerWaalsContact C-N 3.34Å; S315-A318 PolarHBondContact O-N 3.02Å; S315-G319 PolarHBondContact O-N 3.35Å
316	A	42.3	Very low	39.6	Very low	59 Å²	59	107 Å²	107	49%	0.488	66%	0.658	S	S	.	*	H	α-helix	trans	-68.3	-33.1	176.2	0	0	0	0	0	112.6	V313 M320	V313-A316 PolarHBondContact O-N 3.47Å; A316-M320 PolarHBondContact O-N 2.71Å
317	L	41.2	Very low	40.3	Very low	124 Å²	124	102.7 Å²	102.7	65%	0.649	65%	0.654	S	S	*	*	H	α-helix	trans	-68.8	-34.5	175.9	-166.7	66	0	0	0	112.1	S315 A321	S315-L317 VanDerWaalsContact C-N 3.34Å; L317-A321 WeakPolarHBondContact O-CB 3.48Å; L317-A321 PolarHBondContact O-N 2.81Å; L317-A321 VanDerWaalsContact O-N 3.09Å
318	A	45.6	Very low	40.8	Very low	64 Å²	64	100.8 Å²	100.8	53%	0.529	65%	0.649	S	S	.	*	H	α-helix	trans	-66.4	-40.1	176.2	0	0	0	0	0	112.6	S314 S315 M320 A321 S322	S314-A318 PolarHBondContact O-N 3.1Å; S315-A318 PolarHBondContact O-N 3.02Å; A318-M320 PolarHBondContact O-N 2.89Å; A318-A321 PolarHBondContact O-N 3.48Å; A318-S322 PolarHBondContact O-N 2.93Å; A318-S322 VanDerWaalsContact O-N 3.14Å
319	G	39.3	Very low	41.3	Very low	38 Å²	38	96.5 Å²	96.5	39%	0.392	65%	0.646	S	S	.	*	H	α-helix	trans	-68.5	-29.7	178.2	0	0	0	0	0	114.5	S315 S322	S315-G319 PolarHBondContact O-N 3.35Å; G319-S322 PolarHBondContact O-OG 2.73Å; G319-S322 VanDerWaalsContact O-OG 3.08Å
320	M	40.2	Very low	41.3	Very low	124 Å²	124	100.8 Å²	100.8	61%	0.611	65%	0.651	S	S	*	*	H	α-helix	trans	-83.1	-25.5	173.2	-68.4	-173.7	-71.9	0	0	112.8	A316 A318	A316-M320 PolarHBondContact O-N 2.71Å; A318-M320 PolarHBondContact O-N 2.89Å
321	A	42.2	Very low	41.1	Very low	48 Å²	48	98.5 Å²	98.5	40%	0.397	65%	0.647	S	S	.	*	H	α-helix	trans	-75.3	-32.1	176.6	0	0	0	0	0	113.3	L317 A318 L324 M325	L317-A321 WeakPolarHBondContact O-CB 3.48Å; L317-A321 PolarHBondContact O-N 2.81Å; L317-A321 VanDerWaalsContact O-N 3.09Å; A318-A321 PolarHBondContact O-N 3.48Å; A321-L324 PolarHBondContact O-N 3.46Å; A321-M325 WeakPolarHBondContact O-CB 3.27Å; A321-M325 WeakPolarHBondContact O-CG 3.35Å; A321-M325 PolarHBondContact O-N 3.16Å
322	S	39.3	Very low	40.7	Very low	62 Å²	62	99.4 Å²	99.4	43%	0.434	65%	0.652	S	S	.	*	H	α-helix	trans	-63.7	-45.7	178.3	59.1	0	0	0	0	112.3	A318 G319 L324 M325 S326	A318-S322 PolarHBondContact O-N 2.93Å; A318-S322 VanDerWaalsContact O-N 3.14Å; G319-S322 PolarHBondContact O-OG 2.73Å; G319-S322 VanDerWaalsContact O-OG 3.08Å; S322-L324 PolarHBondContact O-N 3.37Å; S322-L324 VanDerWaalsContact O-N 3.16Å; S322-M325 PolarHBondContact O-N 2.87Å; S322-S326 PolarHBondContact O-N 2.86Å; S322-S326 PolarHBondContact O-OG 3.21Å
323	I	45.8	Very low	40.2	Very low	138 Å²	138	102.9 Å²	102.9	71%	0.708	66%	0.656	S	S	*	*	H	α-helix	trans	-61.8	-25.5	-179.8	-61.8	174.6	0	0	0	112.2
324	L	43.1	Very low	39.7	Very low	144 Å²	144	107.1 Å²	107.1	75%	0.754	67%	0.666	S	S	*	*	H	α-helix	trans	-93.7	-7.2	177.2	-65.5	175.9	0	0	0	114.2	A321 S322	A321-L324 PolarHBondContact O-N 3.46Å; S322-L324 PolarHBondContact O-N 3.37Å; S322-L324 VanDerWaalsContact O-N 3.16Å
325	M	43.3	Very low	39.3	Very low	148 Å²	148	110.1 Å²	110.1	73%	0.729	68%	0.681	S	S	*	*	H	α-helix	trans	-120.8	-2.1	-173.5	-68.7	-70.3	-77.8	0	0	115.1	A321 S322 A327	A321-M325 WeakPolarHBondContact O-CB 3.27Å; A321-M325 WeakPolarHBondContact O-CG 3.35Å; A321-M325 PolarHBondContact O-N 3.16Å; S322-M325 PolarHBondContact O-N 2.87Å; M325-A327 PolarHBondContact O-N 3.2Å
326	S	40.1	Very low	38.8	Very low	101 Å²	101	111.7 Å²	111.7	71%	0.706	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	13.8	173.6	-60.4	0	0	0	0	115.4	S322 V328	S322-S326 PolarHBondContact O-N 2.86Å; S322-S326 PolarHBondContact O-OG 3.21Å; S326-V328 VanDerWaalsContact C-N 3.3Å; S326-V328 PolarHBondContact O-N 3.01Å
327	A	41	Very low	38	Very low	96 Å²	96	112.9 Å²	112.9	79%	0.793	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	9.6	177.3	0	0	0	0	0	114.4	M325	M325-A327 PolarHBondContact O-N 3.2Å
328	V	42.1	Very low	37.5	Very low	120 Å²	120	113 Å²	113	73%	0.727	71%	0.71	S	S	*	*	S	Bend	trans	-147.5	120.3	162.7	-128.8	0	0	0	0	108.8	S326 L330	S326-V328 VanDerWaalsContact C-N 3.3Å; S326-V328 PolarHBondContact O-N 3.01Å; V328-L330 PolarHBondContact O-N 3.4Å
329	G	39.7	Very low	36.6	Very low	83 Å²	83	118 Å²	118	86%	0.856	73%	0.727	S	S	*	*			trans	-70.7	94.6	-169.2	0	0	0	0	0	114.2
330	L	32.7	Very low	36.1	Very low	160 Å²	160	122 Å²	122	84%	0.838	75%	0.746	S	S	*	*			trans	-135.3	124.7	168.9	-68.3	173.8	0	0	0	109.4	V328	V328-L330 PolarHBondContact O-N 3.4Å
331	G	32.3	Very low	35.5	Very low	73 Å²	73	125.3 Å²	125.3	75%	0.753	76%	0.76	S	S	*	*			trans	-82.6	150.3	176.8	0	0	0	0	0	112.5
332	V	34.8	Very low	34.9	Very low	121 Å²	121	132.8 Å²	132.8	73%	0.733	79%	0.786	S	S	*	*			trans	-132.1	129.2	174	-91.8	0	0	0	0	109.8	F334	V332-F334 HydrophobicContact CB-CE2 4.47Å
333	H	32	Very low	34.3	Very low	184 Å²	184	139.1 Å²	139.1	85%	0.852	81%	0.809	S	S	*	*			trans	-109.4	141.8	172.4	-68	-86.4	0	0	0	109.6
334	F	31.8	Very low	33.7	Very low	191 Å²	191	141.2 Å²	141.2	84%	0.838	82%	0.816	S	S	*	*			trans	-120.5	135	173	-66.4	-78.6	0	0	0	110.1	V332	V332-F334 HydrophobicContact CB-CE2 4.47Å
335	T	32.7	Very low	32.9	Very low	144 Å²	144	143.8 Å²	143.8	88%	0.883	82%	0.824	S	S	*	*			trans	-126.9	134.4	174.1	-13.4	0	0	0	0	108.8
336	S	32.9	Very low	32.1	Very low	124 Å²	124	145.4 Å²	145.4	87%	0.867	83%	0.83	S	S	*	*			trans	-94	146	-179.4	-164.5	0	0	0	0	111.6
337	A	25.8	Very low	32.2	Very low	83 Å²	83	145.8 Å²	145.8	69%	0.686	83%	0.83	S	S	*	*			trans	-117.8	150.8	178.9	0	0	0	0	0	111.2
338	P	30.1	Very low	31.4	Very low	128 Å²	128	149.8 Å²	149.8	83%	0.831	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-83.6	154.1	-172.4	32.5	-34.3	0	0	0	114.1
339	L	27.1	Very low	30.8	Very low	169 Å²	169	152.4 Å²	152.4	89%	0.885	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-80.4	146	179.8	-78	95.3	0	0	0	113.7
340	P	28.4	Very low	30.3	Very low	120 Å²	120	158 Å²	158	78%	0.779	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-90.9	155.1	163.8	13.2	4.3	0	0	0	113.5
341	Q	29.3	Very low	30.2	Very low	195 Å²	195	158.7 Å²	158.7	91%	0.911	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-75.8	152.5	179.3	-63.1	166.8	-33	0	0	112.6
342	Q	29.1	Very low	30	Very low	204 Å²	204	164.3 Å²	164.3	95%	0.953	85%	0.851	S	S	*	*			trans	-105.8	138.4	166.9	-86.8	-171.3	-14.3	0	0	112.1
343	Q	27.2	Very low	29.8	Very low	195 Å²	195	165.6 Å²	165.6	91%	0.911	85%	0.849	S	S	*	*			trans	-107.1	149.2	-175.4	-160.3	171.1	19.5	0	0	110.5
344	Q	31.3	Very low	29.7	Very low	182 Å²	182	164 Å²	164	85%	0.85	84%	0.842	S	S	*	*			trans	-67.3	143	-177.1	-72.5	166.3	-44.5	0	0	113.8
345	Q	26.8	Very low	29.5	Very low	198 Å²	198	163.2 Å²	163.2	93%	0.925	84%	0.84	S	S	*	*			trans	-164.2	146.3	136.8	-106.5	154.8	45.2	0	0	112.6
346	Q	26.1	Very low	29.3	Very low	182 Å²	182	165.7 Å²	165.7	85%	0.85	84%	0.842	S	S	*	*			trans	-124.2	-171.3	172.2	-64.3	-174.3	-20.8	0	0	108.3
347	P	42.1	Very low	29.4	Very low	110 Å²	110	165.7 Å²	165.7	71%	0.714	84%	0.839	S	S	*	*				-126.5	177.4	-73.6	38.9	-24	0	0	0	111.6
348	L	24.5	Very low	29.8	Very low	179 Å²	179	165.8 Å²	165.8	94%	0.937	84%	0.84	S	S	*	*			trans	-143.2	141	161.2	-106.9	164.9	0	0	0	111.6
349	Q	29.8	Very low	30.1	Very low	176 Å²	176	165.7 Å²	165.7	82%	0.822	84%	0.84	S	S	*	*			trans	-92.8	153.3	-172.4	-63	169.5	-21.7	0	0	112.1
350	Q	29.7	Very low	30.4	Very low	201 Å²	201	167.5 Å²	167.5	94%	0.939	84%	0.84	S	S	*	*				-162.1	155.6	125.8	-109.2	166.2	42.4	0	0	112.8
351	Q	30	Very low	30.5	Very low	173 Å²	173	166.3 Å²	166.3	81%	0.808	84%	0.841	S	S	*	*			trans	-98.8	152.6	-168.3	-61	171.6	-16.8	0	0	112.8
352	H	29.6	Very low	31	Very low	191 Å²	191	165 Å²	165	88%	0.884	84%	0.84	S	S	*	*				-154.2	153.4	124.1	-114.6	68.1	0	0	0	113
353	Q	30	Very low	31.7	Very low	149 Å²	149	160.7 Å²	160.7	70%	0.696	83%	0.829	S	S	*	*			trans	-75.4	172.8	-177.8	-62.8	-179.9	-4.3	0	0	111.3
354	Q	28.6	Very low	32.6	Very low	150 Å²	150	157.1 Å²	157.1	70%	0.701	82%	0.823	S	S	*	*			cis	-168.2	135	37.1	-152.1	159.6	68.7	0	0	114.1
355	Q	28.1	Very low	33.3	Very low	174 Å²	174	154.3 Å²	154.3	81%	0.813	82%	0.82	S	S	*	*			trans	42.5	127.1	147.7	-63	175.5	1.9	0	0	123.5
356	Q	30	Very low	34.2	Very low	196 Å²	196	150.4 Å²	150.4	92%	0.916	81%	0.812	S	S	*	*				-158	161.3	125.5	-106.3	-175.8	21.3	0	0	111.3
357	P	33.6	Very low	35.1	Very low	124 Å²	124	147.6 Å²	147.6	81%	0.805	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-97.9	166.9	-153.3	37.9	-38.5	0	0	0	117.2
358	A	34.5	Very low	34.9	Very low	85 Å²	85	150.6 Å²	150.6	70%	0.702	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-89.3	153.3	-179.8	0	0	0	0	0	114.3
359	P	36.4	Very low	35.4	Very low	127 Å²	127	149.9 Å²	149.9	83%	0.825	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-86.3	146.7	169.8	33.7	-32.1	0	0	0	112.9
360	F	33	Very low	35.9	Very low	206 Å²	206	146.9 Å²	146.9	90%	0.904	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-78.2	149.1	-177.3	-80.5	-109.3	0	0	0	113.5
361	A	30.9	Very low	36	Very low	96 Å²	96	144.5 Å²	144.5	79%	0.793	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-90.5	147.1	167.7	0	0	0	0	0	111.6
362	L	39.8	Very low	36	Very low	168 Å²	168	140.3 Å²	140.3	88%	0.88	81%	0.805	S	S	*	*			trans	-112.7	141.9	175.4	-73.2	170.5	0	0	0	111.3
363	P	44.5	Very low	36	Very low	113 Å²	113	136.6 Å²	136.6	73%	0.734	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-84.2	162.7	177.6	34.2	-35	0	0	0	113.4
364	P	45.8	Very low	36.1	Very low	120 Å²	120	140.6 Å²	140.6	78%	0.779	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-82.6	160.1	-174.2	33.8	-36.9	0	0	0	114.6
365	P	46.3	Very low	36.8	Very low	122 Å²	122	138 Å²	138	79%	0.792	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-82.9	158.1	-179.6	33.8	-35.9	0	0	0	114.3
366	P	46	Very low	36.9	Very low	117 Å²	117	138.7 Å²	138.7	76%	0.76	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-87.3	164.8	-176.2	35.8	-36.9	0	0	0	114.5
367	P	43.8	Very low	36.9	Very low	122 Å²	122	134.4 Å²	134.4	79%	0.792	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-88	154.8	-179.7	35.7	-35.2	0	0	0	113.5
368	L	37.6	Very low	36.7	Very low	173 Å²	173	134.8 Å²	134.8	91%	0.906	81%	0.805	S	S	*	*			trans	-130.5	145.5	168.8	-71.5	175.7	0	0	0	111.8
369	L	34.6	Very low	36.4	Very low	164 Å²	164	135.8 Å²	135.8	86%	0.859	81%	0.808	S	S	*	*			trans	-119.2	175.9	-174.5	-96.3	173.9	0	0	0	109.5
370	P	40.8	Very low	36	Very low	114 Å²	114	135.4 Å²	135.4	74%	0.74	81%	0.808	S	S	*	*				-108.8	171.7	-125.9	34.4	-22.5	0	0	0	115.5
371	T	31.7	Very low	35.8	Very low	151 Å²	151	130.6 Å²	130.6	93%	0.926	80%	0.8	S	S	*	*			trans	-123.9	153.8	167.3	40.3	0	0	0	0	111.2
372	A	30	Very low	35.6	Very low	85 Å²	85	131.9 Å²	131.9	70%	0.702	80%	0.803	S	S	*	*			trans	-129.6	153	-157	0	0	0	0	0	114.1
373	S	29.3	Very low	35.4	Very low	112 Å²	112	130.2 Å²	130.2	78%	0.783	80%	0.799	S	S	*	*			trans	61.4	148.7	153.5	53.8	0	0	0	0	118.1
374	R	32.4	Very low	34.7	Very low	233 Å²	233	136.1 Å²	136.1	88%	0.879	81%	0.807	S	S	*	*			cis	-171.4	-169.5	3.3	-117.3	-179.2	175.3	-159	1.4	105.9
375	P	43	Very low	34.1	Very low	97 Å²	97	141.9 Å²	141.9	63%	0.63	81%	0.813	S	S	*	*				-120.1	-178.9	-63.3	37.5	-21.1	0	0	0	111.3
376	H	31.7	Very low	33.2	Very low	188 Å²	188	140.5 Å²	140.5	87%	0.87	81%	0.812	S	S	*	*			trans	-173.4	165.8	130.3	-100.1	-66.9	0	0	0	110.3
377	S	28.9	Very low	32.4	Very low	105 Å²	105	144 Å²	144	73%	0.734	82%	0.815	S	S	*	*			trans	-118.4	141.1	-152.2	52.8	0	0	0	0	115.1
378	S	30.1	Very low	31.9	Very low	132 Å²	132	149.6 Å²	149.6	92%	0.923	82%	0.82	S	S	*	*			trans	-169	168.1	137.9	52	0	0	0	0	111
379	S	28.2	Very low	31.5	Very low	107 Å²	107	149.3 Å²	149.3	75%	0.748	82%	0.815	S	S	*	*			trans	-124.2	166.1	-151.5	52.5	0	0	0	0	115.3
380	S	27.1	Very low	31.3	Very low	118 Å²	118	150.3 Å²	150.3	83%	0.825	82%	0.815	S	S	*	*			trans	74	146.6	171	84.3	0	0	0	0	116.1
381	S	30.2	Very low	30.8	Very low	105 Å²	105	156.1 Å²	156.1	73%	0.734	82%	0.822	S	S	*	*			cis	-146.8	135.5	-5.8	53.1	0	0	0	0	110.2	V383	S381-V383 PolarHBondContact O-N 3.02Å
382	S	26.8	Very low	30.9	Very low	123 Å²	123	160.5 Å²	160.5	86%	0.86	82%	0.821	S	S	*	*			trans	-86.7	106.3	-177.7	-58.2	0	0	0	0	113.5	R384	S382-R384 PolarHBondContact O-N 3.39Å
383	V	34	Very low	31.5	Very low	133 Å²	133	160.2 Å²	160.2	81%	0.806	82%	0.819	S	S	*	*			trans	-82.6	108.9	158.8	-178.2	0	0	0	0	108.4	S381 R385	S381-V383 PolarHBondContact O-N 3.02Å; V383-R385 PolarHBondContact O-N 3.14Å
384	R	31.5	Very low	32.3	Very low	238 Å²	238	160.8 Å²	160.8	90%	0.898	82%	0.82	S	S	*	*			trans	-68.2	91.3	174.8	-70.3	-174.9	-179.1	-171.5	1.3	109.8	S382 A386	S382-R384 PolarHBondContact O-N 3.39Å; R384-A386 PolarHBondContact O-N 3.09Å
385	R	31.2	Very low	33.7	Very low	241 Å²	241	154.6 Å²	154.6	91%	0.909	82%	0.819	S	S	*	*			trans	-66.6	100.7	173.1	-162	174.6	-168.3	173.5	3.9	108.8	V383 K387	V383-R385 PolarHBondContact O-N 3.14Å; R385-K387 PolarHBondContact O-N 3.32Å
386	A	28.9	Very low	35.3	Very low	92 Å²	92	153.5 Å²	153.5	76%	0.76	81%	0.805	S	S	*	*			trans	-55.7	114.4	-178.9	0	0	0	0	0	110.3	R384 R388	R384-A386 PolarHBondContact O-N 3.09Å; A386-R388 VanDerWaalsContact C-N 3.32Å; A386-R388 PolarHBondContact O-N 3.37Å
387	K	28.9	Very low	37.9	Very low	192 Å²	192	150.4 Å²	150.4	84%	0.835	79%	0.786	S	S	*	*			trans	-71.2	90.2	174.7	-171.7	172.7	-176.2	175.5	0	107.7	R385 Q389	R385-K387 PolarHBondContact O-N 3.32Å; K387-Q389 PolarHBondContact O-N 3.5Å
388	R	32.6	Very low	40.9	Very low	238 Å²	238	146.4 Å²	146.4	90%	0.898	76%	0.758	S	S	*	*			trans	-57	93.4	163.9	-99.5	-173.5	168.9	-168.6	-2.7	107.3	A386 H390	A386-R388 VanDerWaalsContact C-N 3.32Å; A386-R388 PolarHBondContact O-N 3.37Å; R388-H390 PolarHBondContact O-N 3.17Å
389	Q	29.1	Very low	43.8	Very low	168 Å²	168	142.2 Å²	142.2	79%	0.785	72%	0.724	S	S	*	*			trans	-60.1	117.1	160.2	-78.4	175.7	-37.1	0	0	106	K387 R391	K387-Q389 PolarHBondContact O-N 3.5Å; Q389-R391 VanDerWaalsContact C-N 3.33Å; Q389-R391 PolarHBondContact O-N 3.08Å
390	H	31.4	Very low	46.9	Very low	185 Å²	185	140.3 Å²	140.3	86%	0.856	71%	0.705	S	S	*	*			trans	-58.6	106.7	155.1	-96.5	-100	0	0	0	106.1	R388 R392	R388-H390 PolarHBondContact O-N 3.17Å; H390-R392 PolarHBondContact O-N 2.69Å; H390-R392 VanDerWaalsContact O-N 3.09Å
391	R	30.7	Very low	50	Low	236 Å²	236	134.7 Å²	134.7	89%	0.891	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-52.4	118.2	156.4	-91.9	-177.1	165.4	-172.2	-5.2	105.3	Q389 A393	Q389-R391 VanDerWaalsContact C-N 3.33Å; Q389-R391 PolarHBondContact O-N 3.08Å; R391-A393 PolarHBondContact O-N 3.2Å
392	R	33.9	Very low	53.1	Low	242 Å²	242	129.7 Å²	129.7	91%	0.913	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-56.4	122.2	157.3	-91.2	-178.8	165.5	174.7	-6.8	105.3	H390	H390-R392 PolarHBondContact O-N 2.69Å; H390-R392 VanDerWaalsContact O-N 3.09Å
393	A	41.2	Very low	56.3	Low	80 Å²	80	128.7 Å²	128.7	66%	0.661	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-56.5	147.7	163.6	0	0	0	0	0	107.9	R391 A395	R391-A393 PolarHBondContact O-N 3.2Å; A393-A395 PolarHBondContact O-N 3.04Å
394	P	47.4	Very low	59.2	Low	123 Å²	123	128.4 Å²	128.4	80%	0.799	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-53.8	141.2	168.5	25.5	-33.6	0	0	0	108.7	Q396	P394-Q396 PolarHBondContact O-N 2.87Å
395	A	60.6	Low	62.3	Low	103 Å²	103	118.5 Å²	118.5	85%	0.851	56%	0.56	S	S	*	*			trans	-62.1	110.3	177.6	0	0	0	0	0	108.3	A393	A393-A395 PolarHBondContact O-N 3.04Å
396	Q	77.1	Confident	65.4	Low	75 Å²	75	107.2 Å²	107.2	35%	0.35	52%	0.517	S	S	.	.			trans	-66.1	135.4	177.2	-177.8	176.3	-26.1	0	0	108.7	P394 D400 V401 R404	P394-Q396 PolarHBondContact O-N 2.87Å; Q396-D400 HydrophobicContact CG-CB 3.85Å; Q396-V401 HydrophobicContact CG-CG2 4.13Å; Q396-R404 VanDerWaalsContact NE2-CZ 3.26Å; Q396-R404 VanDerWaalsContact NE2-NH1 3.16Å; Q396-R404 VanDerWaalsContact NE2-NH2 3.11Å
397	R	87.1	Confident	68.5	Low	122 Å²	122	108.8 Å²	108.8	46%	0.46	51%	0.509	S	S	.	.			trans	-67.1	144.2	175.5	-90.7	178.6	161.2	154.4	-5.4	109.8	E399 D400 V401 E437	R397-E399 WeakPolarHBondContact CB-OE2 3.41Å; R397-E399 PolarHBondContact O-N 3.36Å; R397-D400 WeakPolarHBondContact CB-OD2 3.4Å; R397-D400 PolarHBondContact N-OD2 3.29Å; R397-D400 WeakPolarHBondContact O-CB 3.42Å; R397-D400 PolarHBondContact O-N 3.45Å; R397-V401 PolarHBondContact O-N 2.79Å; R397-E437 PolarHBondContact NH2-O 3.34Å; R397-E437 VanDerWaalsContact NH2-O 3.15Å
398	S	91	Very high	71.7	Confident	21 Å²	21	104.7 Å²	104.7	15%	0.147	50%	0.5	C	S	.	.	H	α-helix	trans	-61.1	-35.5	-178.9	-70.6	0	0	0	0	111.3	V401 I402 L463 Y466 N467	S398-V401 WeakPolarHBondContact O-CB 3.44Å; S398-V401 PolarHBondContact O-N 3.47Å; S398-V401 VanDerWaalsContact O-N 3.14Å; S398-I402 PolarHBondContact O-N 3.01Å; S398-L463 VanDerWaalsContact CB-CD1 3.49Å; S398-Y466 WeakPolarHBondContact OG-CE1 3.31Å; S398-N467 VanDerWaalsContact CB-OD1 3.31Å; S398-N467 WeakPolarHBondContact CB-OD1 3.41Å; S398-N467 PolarHBondContact OG-OD1 2.75Å
399	E	91.3	Very high	74.6	Confident	44 Å²	44	95.5 Å²	95.5	21%	0.206	47%	0.47	C	S	.	.	H	α-helix	trans	-60.9	-43.9	177.6	-58.7	68.3	-146.9	0	0	111	R397 V401 I402 Q403 I442 L463	R397-E399 WeakPolarHBondContact CB-OE2 3.41Å; R397-E399 PolarHBondContact O-N 3.36Å; E399-V401 PolarHBondContact O-N 3.42Å; E399-I402 PolarHBondContact O-N 3.21Å; E399-I402 VanDerWaalsContact O-N 3.12Å; E399-Q403 WeakPolarHBondContact O-CG 3.41Å; E399-Q403 PolarHBondContact O-N 3.45Å; E399-I442 HydrophobicContact CB-CD1 4.36Å; E399-I442 HydrophobicContact CG-CD1 4.45Å; E399-I442 HydrophobicContact CG-CG1 4.41Å; E399-L463 HydrophobicContact CG-CD1 4.25Å; E399-L463 HydrophobicContact CG-CD2 4.14Å
400	D	92.3	Very high	77.4	Confident	68 Å²	68	92.3 Å²	92.3	36%	0.364	47%	0.472	S	S	.	.	H	α-helix	trans	-59.1	-31.4	176.3	-53.1	-18.2	0	0	0	111.9	Q396 R397 R404	Q396-D400 HydrophobicContact CG-CB 3.85Å; R397-D400 WeakPolarHBondContact CB-OD2 3.4Å; R397-D400 PolarHBondContact N-OD2 3.29Å; R397-D400 WeakPolarHBondContact O-CB 3.42Å; R397-D400 PolarHBondContact O-N 3.45Å; D400-R404 VanDerWaalsContact O-CB 3.24Å; D400-R404 WeakPolarHBondContact O-CB 3.48Å; D400-R404 PolarHBondContact O-N 3.06Å; D400-R404 VanDerWaalsContact O-N 3.08Å
401	V	93.4	Very high	80.1	Confident	0 Å²	0	90.1 Å²	90.1	0%	0	47%	0.467	C	S	.	.	H	α-helix	trans	-73	-41.4	178.8	-175.6	0	0	0	0	110.4	Q396 R397 S398 E399 R404 Y405 Y466 L475	Q396-V401 HydrophobicContact CG-CG2 4.13Å; R397-V401 PolarHBondContact O-N 2.79Å; S398-V401 WeakPolarHBondContact O-CB 3.44Å; S398-V401 PolarHBondContact O-N 3.47Å; S398-V401 VanDerWaalsContact O-N 3.14Å; E399-V401 PolarHBondContact O-N 3.42Å; V401-R404 PolarHBondContact O-N 3.38Å; V401-Y405 HydrophobicContact CG1-CD2 4.2Å; V401-Y405 HydrophobicContact CG1-CE2 3.92Å; V401-Y405 VanDerWaalsContact O-CD2 3.23Å; V401-Y405 WeakPolarHBondContact O-CD2 3.48Å; V401-Y466 HydrophobicContact CB-CE1 4.29Å; V401-Y466 HydrophobicContact CB-CE2 4.48Å; V401-Y466 HydrophobicContact CG1-CD2 4.42Å; V401-Y466 HydrophobicContact CG1-CE2 3.9Å; V401-Y466 HydrophobicContact CG2-CE1 4.14Å; V401-L475 HydrophobicContact CG1-CD1 4.46Å; V401-L475 HydrophobicContact CG1-CD2 4.39Å; V401-L475 HydrophobicContact CG1-CG 4.06Å
402	I	94.8	Very high	82.7	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	44%	0.439	C	S	.	.	H	α-helix	trans	-63.5	-51.3	175.2	-50.6	-48.7	0	0	0	109.8	S398 E399 R404 Y405 M406 I442 M459 M462 L463 Y466 L475	S398-I402 PolarHBondContact O-N 3.01Å; E399-I402 PolarHBondContact O-N 3.21Å; E399-I402 VanDerWaalsContact O-N 3.12Å; I402-R404 VanDerWaalsContact C-N 3.26Å; I402-R404 PolarHBondContact O-N 3.37Å; I402-Y405 PolarHBondContact O-N 2.93Å; I402-M406 HydrophobicContact CG2-SD 3.81Å; I402-M406 WeakPolarHBondContact O-CB 3.46Å; I402-M406 PolarHBondContact O-N 3.18Å; I402-I442 HydrophobicContact CB-CD1 4.24Å; I402-I442 HydrophobicContact CG2-CD1 4.34Å; I402-M459 HydrophobicContact CG2-CB 4.21Å; I402-M459 HydrophobicContact CG2-CE 3.79Å; I402-M459 HydrophobicContact CG2-CG 4.46Å; I402-M462 HydrophobicContact CD1-CB 4.36Å; I402-M462 HydrophobicContact CG2-CB 4.36Å; I402-L463 HydrophobicContact CG1-CB 4.11Å; I402-L463 HydrophobicContact CG1-CD1 4.01Å; I402-Y466 HydrophobicContact CD1-CG 4.41Å; I402-L475 HydrophobicContact CD1-CD1 3.81Å; I402-L475 HydrophobicContact CD1-CD2 3.8Å; I402-L475 HydrophobicContact CD1-CG 4.43Å
403	Q	93.8	Very high	85.3	Confident	101 Å²	101	71.2 Å²	71.2	47%	0.472	41%	0.409	S	S	.	.	H	α-helix	trans	-64.6	-24.8	-178.8	-67.3	176.7	3.2	0	0	113.7	E399 M459	E399-Q403 WeakPolarHBondContact O-CG 3.41Å; E399-Q403 PolarHBondContact O-N 3.45Å; Q403-M459 HydrophobicContact CG-CE 4.06Å
404	R	95	Very high	87.6	Confident	127 Å²	127	76.6 Å²	76.6	48%	0.479	42%	0.421	S	S	.	.	H	α-helix	trans	-71.4	-26.9	176.1	-177.1	177.7	-66.2	151.3	6.2	113.7	Q396 D400 V401 I402	Q396-R404 VanDerWaalsContact NE2-CZ 3.26Å; Q396-R404 VanDerWaalsContact NE2-NH1 3.16Å; Q396-R404 VanDerWaalsContact NE2-NH2 3.11Å; D400-R404 VanDerWaalsContact O-CB 3.24Å; D400-R404 WeakPolarHBondContact O-CB 3.48Å; D400-R404 PolarHBondContact O-N 3.06Å; D400-R404 VanDerWaalsContact O-N 3.08Å; V401-R404 PolarHBondContact O-N 3.38Å; I402-R404 VanDerWaalsContact C-N 3.26Å; I402-R404 PolarHBondContact O-N 3.37Å
405	Y	96.3	Very high	89.8	Confident	30 Å²	30	76.3 Å²	76.3	12%	0.118	41%	0.409	C	S	.	.	H	α-helix	trans	-123.1	-2.5	-171.7	-53.2	-53.1	0	0	0	114.2	V401 I402 I451 G473 L475 Y484 G485	V401-Y405 HydrophobicContact CG1-CD2 4.2Å; V401-Y405 HydrophobicContact CG1-CE2 3.92Å; V401-Y405 VanDerWaalsContact O-CD2 3.23Å; V401-Y405 WeakPolarHBondContact O-CD2 3.48Å; I402-Y405 PolarHBondContact O-N 2.93Å; Y405-I451 PolarHBondContact O-N 3.28Å; Y405-I451 VanDerWaalsContact O-N 3.14Å; Y405-G473 WeakPolarHBondContact CE2-O 3.22Å; Y405-G473 PolarHBondContact OH-O 3.39Å; Y405-G473 VanDerWaalsContact OH-O 3.06Å; Y405-L475 HydrophobicContact CD2-CB 4.28Å; Y405-L475 HydrophobicContact CD2-CD1 3.85Å; Y405-L475 HydrophobicContact CD2-CG 3.99Å; Y405-Y484 HydrophobicContact CD1-CD1 4.23Å; Y405-Y484 HydrophobicContact CD1-CG 4.46Å; Y405-Y484 HydrophobicContact CG-CD1 4.23Å; Y405-Y484 HydrophobicContact CG-CG 4.2Å; Y405-G485 WeakPolarHBondContact OH-CA 3.32Å
406	M	96.4	Very high	91.4	Very high	4 Å²	4	76 Å²	76	2%	0.02	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	123.5	176.3	-60.6	179.5	68.1	0	0	110.4	I402 G448 K449 F450 L457 M459 M462	I402-M406 HydrophobicContact CG2-SD 3.81Å; I402-M406 WeakPolarHBondContact O-CB 3.46Å; I402-M406 PolarHBondContact O-N 3.18Å; M406-G448 WeakPolarHBondContact CE-O 3.4Å; M406-K449 CarbonylContact C-O 3.56Å; M406-K449 VanDerWaalsContact CA-O 3.27Å; M406-K449 WeakPolarHBondContact CA-O 3.5Å; M406-F450 HydrophobicContact CE-CD2 4.48Å; M406-F450 HydrophobicContact CE-CE2 4.41Å; M406-F450 HydrophobicContact CG-CD1 3.85Å; M406-F450 HydrophobicContact CG-CE1 3.98Å; M406-F450 HydrophobicContact CG-CG 4.23Å; M406-F450 HydrophobicContact CG-CZ 4.46Å; M406-F450 HydrophobicContact SD-CE1 4.17Å; M406-F450 HydrophobicContact SD-CE2 4.36Å; M406-F450 HydrophobicContact SD-CZ 4.1Å; M406-L457 HydrophobicContact CE-CB 4.27Å; M406-M459 HydrophobicContact CB-CE 4.42Å; M406-M462 HydrophobicContact CE-CB 4.42Å; M406-M462 HydrophobicContact CE-CG 3.84Å; M406-M462 HydrophobicContact SD-CB 3.86Å; M406-M462 HydrophobicContact SD-CE 4.37Å; M406-M462 HydrophobicContact SD-CG 3.65Å
407	E	95.3	Very high	92.2	Very high	126 Å²	126	72.5 Å²	72.5	59%	0.589	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	134.3	174	-76.3	163.4	-162.8	0	0	109.9	V409 G448 K449 I451	E407-V409 PolarHBondContact O-N 3.39Å; E407-G448 CarbonylContact O-C 3.5Å; E407-G448 VanDerWaalsContact O-CA 3.25Å; E407-G448 WeakPolarHBondContact O-CA 3.43Å; E407-K449 PolarHBondContact N-O 2.53Å; E407-K449 PolarHBondContact O-N 3.31Å; E407-I451 HydrophobicContact CG-CG2 3.75Å; E407-I451 WeakPolarHBondContact OE1-CG2 3.4Å
408	V	94.8	Very high	92.6	Very high	106 Å²	106	70.3 Å²	70.3	64%	0.642	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	131.4	177.2	-175.6	0	0	0	0	109.6	M459	V408-M459 HydrophobicContact CG2-CE 4.43Å; V408-M459 HydrophobicContact CG2-SD 3.82Å
409	V	93.6	Very high	92.7	Very high	44 Å²	44	71 Å²	71	27%	0.267	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-97.9	130.7	174.3	-164	0	0	0	0	108.7	E407 D411 V447 K449 T456	E407-V409 PolarHBondContact O-N 3.39Å; V409-D411 WeakPolarHBondContact CG1-O 3.26Å; V409-V447 HydrophobicContact CB-CG1 4.47Å; V409-V447 HydrophobicContact CG2-CG1 4.37Å; V409-V447 PolarHBondContact N-O 2.85Å; V409-K449 HydrophobicContact CG2-CB 3.65Å; V409-T456 HydrophobicContact CG2-CG2 4.17Å
410	A	88.1	Confident	92.8	Very high	101 Å²	101	69.9 Å²	69.9	84%	0.835	37%	0.371	S	S	*	.	S	Bend	trans	-71.7	-47.3	178.7	0	0	0	0	0	112
411	D	88.2	Confident	92.9	Very high	139 Å²	139	73 Å²	73	74%	0.743	39%	0.386	S	S	*	.	S	Bend	trans	-105.5	112.9	177.7	-57.8	-62.5	0	0	0	109.7	V409	V409-D411 WeakPolarHBondContact CG1-O 3.26Å
412	A	85.3	Confident	92.9	Very high	37 Å²	37	77 Å²	77	31%	0.306	40%	0.404	S	S	.	.			trans	-68.2	133.3	176.9	0	0	0	0	0	110.6	L424 V447	A412-L424 HydrophobicContact CB-CB 4.14Å; A412-L424 WeakPolarHBondContact CB-O 3.39Å; A412-V447 HydrophobicContact CB-CG2 3.96Å
413	P	88.8	Confident	93	Very high	44 Å²	44	81.6 Å²	81.6	29%	0.286	43%	0.426	S	S	.	.			trans	-68.1	154.4	174	29.6	-33.8	0	0	0	110.8	E415 L424 T456	P413-E415 HydrophobicContact CB-CG 4.43Å; P413-E415 PolarHBondContact O-N 3.5Å; P413-L424 HydrophobicContact CG-CD1 3.81Å; P413-T456 HydrophobicContact CG-CG2 4.38Å
414	E	89.6	Confident	93	Very high	193 Å²	193	76.9 Å²	76.9	90%	0.902	40%	0.404	S	S	*	.	S	Bend	trans	-74.8	56.5	173.7	-62.9	-173.1	169.6	0	0	111.6
415	E	93.1	Very high	92.9	Very high	117 Å²	117	74 Å²	74	55%	0.547	40%	0.403	S	S	.	.	S	Bend	trans	-127.7	153.8	177.5	-66	-176.7	175.6	0	0	110.3	P413 L424	P413-E415 HydrophobicContact CB-CG 4.43Å; P413-E415 PolarHBondContact O-N 3.5Å; E415-L424 HydrophobicContact CB-CD1 4.21Å; E415-L424 WeakPolarHBondContact O-CB 3.32Å; E415-L424 VanDerWaalsContact O-CG 3.28Å; E415-L424 WeakPolarHBondContact O-CG 3.2Å; E415-L424 PolarHBondContact O-N 2.89Å
416	D	94.6	Very high	92.8	Very high	98 Å²	98	76 Å²	76	52%	0.524	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-84.4	138	177.5	-63.3	-38.3	0	0	0	112	I418 Q423	D416-I418 PolarHBondContact O-N 3.09Å; D416-Q423 VanDerWaalsContact OD1-CG 3.3Å; D416-Q423 WeakPolarHBondContact OD1-CG 3.28Å
417	C	94.6	Very high	92.6	Very high	0 Å²	0	79.6 Å²	79.6	0%	0	44%	0.439	C	S	.	.			trans	-73	107.3	173.2	-177.8	0	0	0	0	110.3	I419 C420 M421 E422 L424 H458	C417-I419 PolarHBondContact O-N 3.24Å; C417-C420 PolarHBondContact O-N 3.46Å; C417-M421 WeakPolarHBondContact O-CA 3.43Å; C417-M421 PolarHBondContact O-N 3.11Å; C417-E422 WeakPolarHBondContact CB-O 3.37Å; C417-E422 PolarHBondContact N-O 3.09Å; C417-L424 HydrophobicContact CB-CD2 3.63Å; C417-L424 HydrophobicContact CB-CG 4.21Å; C417-H458 WeakPolarHBondContact CB-ND1 3.46Å; C417-H458 PolarHBondContact SG-ND1 3.42Å
418	I	95.3	Very high	92.4	Very high	77 Å²	77	74.1 Å²	74.1	40%	0.395	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-0.1	-174.7	70.7	162.2	0	0	0	116.2	D416 M421 L457 P478 S479	D416-I418 PolarHBondContact O-N 3.09Å; I418-M421 VanDerWaalsContact O-CE 3.3Å; I418-M421 WeakPolarHBondContact O-CE 3.49Å; I418-L457 HydrophobicContact CG1-CD2 3.84Å; I418-P478 HydrophobicContact CD1-CB 4.11Å; I418-P478 HydrophobicContact CD1-CG 4.17Å; I418-P478 HydrophobicContact CG1-CG 4.42Å; I418-S479 VanDerWaalsContact CD1-OG 3.31Å; I418-S479 WeakPolarHBondContact CD1-OG 3.31Å
419	I	92.4	Very high	92.1	Very high	36 Å²	36	72.7 Å²	72.7	19%	0.185	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-47.5	175.4	-58.8	172.8	0	0	0	111	C417 Y430 L457 C461 M462 M465 P478	C417-I419 PolarHBondContact O-N 3.24Å; I419-Y430 HydrophobicContact CG2-CE2 3.97Å; I419-L457 HydrophobicContact CD1-CD1 4Å; I419-C461 HydrophobicContact CB-CB 3.75Å; I419-C461 HydrophobicContact CD1-CB 3.66Å; I419-C461 HydrophobicContact CG1-CB 4.28Å; I419-C461 HydrophobicContact CG2-CB 3.76Å; I419-M462 HydrophobicContact CD1-CG 4.1Å; I419-M462 HydrophobicContact CD1-SD 3.81Å; I419-M465 HydrophobicContact CD1-SD 4.42Å; I419-P478 HydrophobicContact CD1-CG 4.14Å; I419-P478 HydrophobicContact CG1-CG 4.17Å
420	C	94.1	Very high	91.7	Very high	19 Å²	19	75 Å²	75	13%	0.128	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-11.4	-179.3	57.4	0	0	0	0	114.1	C417 E422 S429 Y430 H458 C461	C417-C420 PolarHBondContact O-N 3.46Å; C420-E422 HydrophobicContact CB-CG 4.4Å; C420-E422 PolarHBondContact O-N 3.41Å; C420-S429 WeakPolarHBondContact CB-OG 3.49Å; C420-Y430 HydrophobicContact CB-CD2 4.18Å; C420-Y430 HydrophobicContact CB-CE2 4Å; C420-H458 PolarHBondContact SG-ND1 2.96Å; C420-C461 PolarHBondContact SG-SG 3.13Å
421	M	94.4	Very high	91.2	Very high	135 Å²	135	79.2 Å²	79.2	67%	0.665	42%	0.417	S	S	*	.			trans	60.5	24.3	-174.5	-49.9	-59.5	177.4	0	0	114.5	C417 I418	C417-M421 WeakPolarHBondContact O-CA 3.43Å; C417-M421 PolarHBondContact O-N 3.11Å; I418-M421 VanDerWaalsContact O-CE 3.3Å; I418-M421 WeakPolarHBondContact O-CE 3.49Å
422	E	93.9	Very high	90.1	Very high	83 Å²	83	75 Å²	75	39%	0.388	40%	0.396	S	S	.	.	S	Bend	trans	-101.4	149.2	171.3	-61.8	-65.7	166.1	0	0	110.2	C417 C420	C417-E422 WeakPolarHBondContact CB-O 3.37Å; C417-E422 PolarHBondContact N-O 3.09Å; C420-E422 HydrophobicContact CB-CG 4.4Å; C420-E422 PolarHBondContact O-N 3.41Å
423	Q	95.3	Very high	89	Confident	96 Å²	96	77.6 Å²	77.6	45%	0.449	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-55	140.9	172.1	-68.3	-177.9	5.5	0	0	111	D416 S425 N426	D416-Q423 VanDerWaalsContact OD1-CG 3.3Å; D416-Q423 WeakPolarHBondContact OD1-CG 3.28Å; Q423-S425 WeakPolarHBondContact CB-OG 3.31Å; Q423-S425 PolarHBondContact O-N 3.34Å; Q423-S425 PolarHBondContact OE1-OG 3.45Å; Q423-N426 WeakPolarHBondContact O-CB 3.45Å; Q423-N426 PolarHBondContact O-N 3.36Å
424	L	94.2	Very high	87.4	Confident	3 Å²	3	81.6 Å²	81.6	2%	0.016	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.9	178.6	-72	167.5	0	0	0	113.2	A412 P413 E415 C417 N426 V447	A412-L424 HydrophobicContact CB-CB 4.14Å; A412-L424 WeakPolarHBondContact CB-O 3.39Å; P413-L424 HydrophobicContact CG-CD1 3.81Å; E415-L424 HydrophobicContact CB-CD1 4.21Å; E415-L424 WeakPolarHBondContact O-CB 3.32Å; E415-L424 VanDerWaalsContact O-CG 3.28Å; E415-L424 WeakPolarHBondContact O-CG 3.2Å; E415-L424 PolarHBondContact O-N 2.89Å; C417-L424 HydrophobicContact CB-CD2 3.63Å; C417-L424 HydrophobicContact CB-CG 4.21Å; L424-N426 VanDerWaalsContact C-N 3.31Å; L424-V447 HydrophobicContact CB-CG2 4.04Å; L424-V447 HydrophobicContact CD2-CG1 4.1Å; L424-V447 HydrophobicContact CD2-CG2 4.08Å; L424-V447 WeakPolarHBondContact O-CG2 3.39Å
425	S	93.6	Very high	85.7	Confident	66 Å²	66	75.9 Å²	75.9	46%	0.462	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-26.6	170.7	53	0	0	0	0	113.8	Q423	Q423-S425 WeakPolarHBondContact CB-OG 3.31Å; Q423-S425 PolarHBondContact O-N 3.34Å; Q423-S425 PolarHBondContact OE1-OG 3.45Å
426	N	93	Very high	83.8	Confident	71 Å²	71	80 Å²	80	38%	0.38	44%	0.436	S	S	.	.	S	Bend	trans	-88	156.4	178.1	-69.6	-26.5	0	0	0	111	Q423 L424 H458	Q423-N426 WeakPolarHBondContact O-CB 3.45Å; Q423-N426 PolarHBondContact O-N 3.36Å; L424-N426 VanDerWaalsContact C-N 3.31Å; N426-H458 PolarHBondContact O-NE2 3.12Å
427	P	91.7	Very high	81.8	Confident	80 Å²	80	82.6 Å²	82.6	52%	0.519	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-60	146.4	171.5	-22.5	34.2	0	0	0	112.5	P444	P427-P444 HydrophobicContact CB-CB 4.06Å
428	S	92.1	Very high	79.7	Confident	11 Å²	11	86.9 Å²	86.9	8%	0.077	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-59.2	136.8	169.8	-175.4	0	0	0	0	111.5	Y430 P444 C461	S428-Y430 PolarHBondContact O-N 2.92Å; S428-Y430 PolarHBondContact OG-N 3.27Å; S428-P444 WeakPolarHBondContact CB-O 3.22Å; S428-P444 PolarHBondContact N-O 2.83Å; S428-C461 PolarHBondContact OG-SG 2.98Å
429	S	89.1	Confident	77.6	Confident	76 Å²	76	84.6 Å²	84.6	53%	0.531	49%	0.485	S	S	.	.	S	Bend	trans	-77.8	-0.1	172.3	55.1	0	0	0	0	114.1	C420	C420-S429 WeakPolarHBondContact CB-OG 3.49Å
430	Y	84.8	Confident	75.9	Confident	94 Å²	94	91.2 Å²	91.2	37%	0.369	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-88.6	125.2	171.8	-76.4	-93	0	0	0	111.1	I419 C420 S428 L460 C461 A464	I419-Y430 HydrophobicContact CG2-CE2 3.97Å; C420-Y430 HydrophobicContact CB-CD2 4.18Å; C420-Y430 HydrophobicContact CB-CE2 4Å; S428-Y430 PolarHBondContact O-N 2.92Å; S428-Y430 PolarHBondContact OG-N 3.27Å; Y430-L460 WeakPolarHBondContact O-CD1 3.48Å; Y430-C461 HydrophobicContact CD2-CB 4.45Å; Y430-C461 VanDerWaalsContact CD2-SG 3.57Å; Y430-A464 HydrophobicContact CD1-CB 3.58Å; Y430-A464 HydrophobicContact CE1-CB 4.05Å; Y430-A464 HydrophobicContact CG-CB 4.08Å
431	E	76.8	Confident	75	Confident	189 Å²	189	93 Å²	93	88%	0.883	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-79.2	149.9	175.8	-63.3	-177.8	165	0	0	112.4
432	T	66.4	Low	74.5	Confident	51 Å²	51	87.1 Å²	87.1	31%	0.313	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-83.4	129.1	168.4	48.6	0	0	0	0	110.3	S441 L460	T432-S441 WeakPolarHBondContact CG2-OG 3.39Å; T432-L460 HydrophobicContact CG2-CD1 3.77Å; T432-L460 HydrophobicContact CG2-CD2 3.36Å; T432-L460 HydrophobicContact CG2-CG 4.24Å
433	P	61	Low	74.2	Confident	90 Å²	90	86.5 Å²	86.5	58%	0.584	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-61.3	140.5	170	27	-33.2	0	0	0	109.8	S435	P433-S435 PolarHBondContact O-N 3.47Å; P433-S435 VanDerWaalsContact O-N 3.09Å
434	P	54.5	Low	73.9	Confident	128 Å²	128	84.5 Å²	84.5	83%	0.831	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-60.7	117.8	-179.7	24.1	-32.9	0	0	0	109.8	E436	P434-E436 PolarHBondContact O-N 2.76Å
435	S	54.5	Low	73.7	Confident	73 Å²	73	90.1 Å²	90.1	51%	0.51	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-78.9	117.2	179.4	-66.7	0	0	0	0	110	P433 E437	P433-S435 PolarHBondContact O-N 3.47Å; P433-S435 VanDerWaalsContact O-N 3.09Å; S435-E437 PolarHBondContact O-N 3.46Å
436	E	52.9	Low	73.8	Confident	204 Å²	204	87.7 Å²	87.7	95%	0.953	51%	0.506	S	S	*	.	S	Bend	trans	-65.6	-15.8	179.3	-62.9	-168.9	147.6	0	0	113.5	P434	P434-E436 PolarHBondContact O-N 2.76Å
437	E	53.5	Low	73.9	Confident	152 Å²	152	84.5 Å²	84.5	71%	0.71	49%	0.489	S	S	*	.	S	Bend	trans	-136.3	91.5	178.1	-68	-171.8	162.8	0	0	112.8	R397 S435 G439	R397-E437 PolarHBondContact NH2-O 3.34Å; R397-E437 VanDerWaalsContact NH2-O 3.15Å; S435-E437 PolarHBondContact O-N 3.46Å; E437-G439 PolarHBondContact O-N 3.12Å
438	G	50.1	Low	74.1	Confident	90 Å²	90	80.7 Å²	80.7	93%	0.928	46%	0.464	S	S	*	.			trans	45.7	8.4	143	0	0	0	0	0	121.9
439	G	51.6	Low	74.3	Confident	29 Å²	29	84.8 Å²	84.8	30%	0.299	48%	0.481	S	S	.	.			trans	-77.6	154.5	-176.9	0	0	0	0	0	112.4	E437 S441	E437-G439 PolarHBondContact O-N 3.12Å; G439-S441 PolarHBondContact O-N 2.83Å
440	Q	56.4	Low	74.7	Confident	176 Å²	176	81.2 Å²	81.2	82%	0.822	46%	0.456	S	S	*	.			trans	-66.4	94.3	174	-76.3	165	-45.9	0	0	110	I442	Q440-I442 PolarHBondContact O-N 2.84Å
441	S	74.4	Confident	75.2	Confident	57 Å²	57	80.4 Å²	80.4	40%	0.399	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-62	133.2	171.8	-164.8	0	0	0	0	109.7	T432 G439 V443	T432-S441 WeakPolarHBondContact CG2-OG 3.39Å; G439-S441 PolarHBondContact O-N 2.83Å; S441-V443 PolarHBondContact O-N 2.73Å
442	I	84.4	Confident	76	Confident	10 Å²	10	78.7 Å²	78.7	5%	0.051	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-63.5	124	172.6	-64.8	-178.4	0	0	0	107.4	E399 I402 Q440 A446 M459 L460 L463	E399-I442 HydrophobicContact CB-CD1 4.36Å; E399-I442 HydrophobicContact CG-CD1 4.45Å; E399-I442 HydrophobicContact CG-CG1 4.41Å; I402-I442 HydrophobicContact CB-CD1 4.24Å; I402-I442 HydrophobicContact CG2-CD1 4.34Å; Q440-I442 PolarHBondContact O-N 2.84Å; I442-A446 HydrophobicContact CG2-CB 3.92Å; I442-M459 HydrophobicContact CD1-CB 4.3Å; I442-M459 HydrophobicContact CG2-CB 3.52Å; I442-L460 HydrophobicContact CB-CD2 3.72Å; I442-L460 HydrophobicContact CB-CG 4.46Å; I442-L460 HydrophobicContact CG2-CD2 3.8Å; I442-L460 HydrophobicContact CG2-CG 4.03Å; I442-L460 WeakPolarHBondContact O-CD2 3.31Å; I442-L463 HydrophobicContact CD1-CD2 4.23Å
443	V	88.9	Confident	77.3	Confident	71 Å²	71	77.8 Å²	77.8	43%	0.43	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-73.3	146.9	-176.9	-61.9	0	0	0	0	111.2	S441 Q445 A446	S441-V443 PolarHBondContact O-N 2.73Å; V443-Q445 HydrophobicContact CG2-CG 4.03Å; V443-Q445 PolarHBondContact O-N 2.98Å; V443-Q445 VanDerWaalsContact O-N 3.14Å; V443-A446 HydrophobicContact CG2-CB 3.88Å; V443-A446 WeakPolarHBondContact O-CB 3.35Å; V443-A446 PolarHBondContact O-N 2.67Å
444	P	88.6	Confident	79	Confident	53 Å²	53	75 Å²	75	34%	0.344	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.4	-176	-28.3	36.4	0	0	0	115.8	P427 S428 A446 L460	P427-P444 HydrophobicContact CB-CB 4.06Å; S428-P444 WeakPolarHBondContact CB-O 3.22Å; S428-P444 PolarHBondContact N-O 2.83Å; P444-A446 VanDerWaalsContact C-N 3.32Å; P444-L460 HydrophobicContact CB-CD1 4.05Å; P444-L460 HydrophobicContact CG-CD1 3.97Å
445	Q	90.3	Very high	81	Confident	122 Å²	122	72.3 Å²	72.3	57%	0.57	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	0.4	175.8	68.9	-84.9	25.6	0	0	114.4	V443 V447	V443-Q445 HydrophobicContact CG2-CG 4.03Å; V443-Q445 PolarHBondContact O-N 2.98Å; V443-Q445 VanDerWaalsContact O-N 3.14Å; Q445-V447 PolarHBondContact O-N 2.58Å
446	A	93.8	Very high	83	Confident	15 Å²	15	69.9 Å²	69.9	12%	0.124	39%	0.388	C	S	.	.			trans	-73.5	112.2	-179	0	0	0	0	0	111.3	I442 V443 P444 H458 M459	I442-A446 HydrophobicContact CG2-CB 3.92Å; V443-A446 HydrophobicContact CG2-CB 3.88Å; V443-A446 WeakPolarHBondContact O-CB 3.35Å; V443-A446 PolarHBondContact O-N 2.67Å; P444-A446 VanDerWaalsContact C-N 3.32Å; A446-H458 CarbonylContact O-C 3.59Å; A446-H458 WeakPolarHBondContact O-CA 3.22Å; A446-M459 HydrophobicContact CB-CB 4.24Å; A446-M459 HydrophobicContact CB-CG 4.38Å; A446-M459 HydrophobicContact CB-SD 4.19Å; A446-M459 PolarHBondContact O-N 3.23Å
447	V	96.2	Very high	85.1	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.018	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	134.3	169.1	176.9	0	0	0	0	109.5	V409 A412 L424 Q445	V409-V447 HydrophobicContact CB-CG1 4.47Å; V409-V447 HydrophobicContact CG2-CG1 4.37Å; V409-V447 PolarHBondContact N-O 2.85Å; A412-V447 HydrophobicContact CB-CG2 3.96Å; L424-V447 HydrophobicContact CB-CG2 4.04Å; L424-V447 HydrophobicContact CD2-CG1 4.1Å; L424-V447 HydrophobicContact CD2-CG2 4.08Å; L424-V447 WeakPolarHBondContact O-CG2 3.39Å; Q445-V447 PolarHBondContact O-N 2.58Å
448	G	95.7	Very high	87.1	Confident	0 Å²	0	53 Å²	53	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143.4	178.2	0	0	0	0	0	112	M406 E407 T456 L457	M406-G448 WeakPolarHBondContact CE-O 3.4Å; E407-G448 CarbonylContact O-C 3.5Å; E407-G448 VanDerWaalsContact O-CA 3.25Å; E407-G448 WeakPolarHBondContact O-CA 3.43Å; G448-T456 WeakPolarHBondContact O-CA 3.33Å; G448-L457 PolarHBondContact N-O 2.94Å; G448-L457 PolarHBondContact O-N 3.41Å
449	K	96.8	Very high	89.2	Confident	98 Å²	98	48.9 Å²	48.9	43%	0.426	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.4	176.9	-174.3	174.2	-177.3	177.1	0	110.4	M406 E407 V409 I451 G454 T456	M406-K449 CarbonylContact C-O 3.56Å; M406-K449 VanDerWaalsContact CA-O 3.27Å; M406-K449 WeakPolarHBondContact CA-O 3.5Å; E407-K449 PolarHBondContact N-O 2.53Å; E407-K449 PolarHBondContact O-N 3.31Å; V409-K449 HydrophobicContact CG2-CB 3.65Å; K449-I451 PolarHBondContact O-N 3.27Å; K449-G454 VanDerWaalsContact CE-O 3.26Å; K449-G454 WeakPolarHBondContact CE-O 3.26Å; K449-G454 WeakPolarHBondContact CG-O 3.35Å; K449-T456 HydrophobicContact CB-CG2 3.88Å; K449-T456 HydrophobicContact CD-CG2 4.41Å; K449-T456 HydrophobicContact CG-CG2 4Å
450	F	96.4	Very high	91.2	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	125.9	176.7	-88.1	-70.4	0	0	0	112.8	M406 K452 C453 G454 H455 L457 M462 L475 C477 Y484	M406-F450 HydrophobicContact CE-CD2 4.48Å; M406-F450 HydrophobicContact CE-CE2 4.41Å; M406-F450 HydrophobicContact CG-CD1 3.85Å; M406-F450 HydrophobicContact CG-CE1 3.98Å; M406-F450 HydrophobicContact CG-CG 4.23Å; M406-F450 HydrophobicContact CG-CZ 4.46Å; M406-F450 HydrophobicContact SD-CE1 4.17Å; M406-F450 HydrophobicContact SD-CE2 4.36Å; M406-F450 HydrophobicContact SD-CZ 4.1Å; F450-K452 VanDerWaalsContact C-N 3.29Å; F450-K452 PolarHBondContact O-N 3.1Å; F450-K452 VanDerWaalsContact O-N 3.09Å; F450-C453 VanDerWaalsContact CB-SG 3.52Å; F450-G454 WeakPolarHBondContact O-CA 3.34Å; F450-G454 PolarHBondContact O-N 3.01Å; F450-H455 HydrophobicContact CD2-CB 4.39Å; F450-H455 PolarHBondContact N-O 3.09Å; F450-L457 HydrophobicContact CE2-CD1 3.89Å; F450-M462 HydrophobicContact CE1-CE 4.35Å; F450-M462 HydrophobicContact CE2-CE 4.38Å; F450-M462 HydrophobicContact CE2-SD 4.1Å; F450-M462 HydrophobicContact CZ-CE 3.55Å; F450-M462 HydrophobicContact CZ-SD 3.87Å; F450-L475 HydrophobicContact CE1-CB 4.33Å; F450-L475 HydrophobicContact CE1-CD1 4.4Å; F450-C477 HydrophobicContact CD2-CB 4.07Å; F450-C477 HydrophobicContact CE1-CB 4.42Å; F450-C477 HydrophobicContact CE2-CB 3.79Å; F450-C477 HydrophobicContact CG-CB 4.48Å; F450-C477 HydrophobicContact CZ-CB 3.97Å; F450-Y484 HydrophobicContact CB-CE2 4.38Å; F450-Y484 WeakPolarHBondContact CB-OH 3.34Å; F450-Y484 AromaticContact CD1-CD2 3.81Å; F450-Y484 HydrophobicContact CD1-CD2 3.81Å; F450-Y484 HydrophobicContact CD1-CE1 4.2Å; F450-Y484 AromaticContact CD1-CE2 3.36Å; F450-Y484 HydrophobicContact CD1-CE2 3.36Å; F450-Y484 HydrophobicContact CD1-CG 4.42Å; F450-Y484 AromaticContact CD1-CZ 3.6Å; F450-Y484 AromaticContact CE1-CD2 3.86Å; F450-Y484 HydrophobicContact CE1-CD2 3.86Å; F450-Y484 AromaticContact CE1-CE2 3.78Å; F450-Y484 HydrophobicContact CE1-CE2 3.78Å; F450-Y484 HydrophobicContact CG-CE2 4.06Å
451	I	95.9	Very high	93	Very high	77 Å²	77	39.4 Å²	39.4	40%	0.395	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-16.4	-168.2	63.7	175.3	0	0	0	116.6	Y405 E407 K449 Y484	Y405-I451 PolarHBondContact O-N 3.28Å; Y405-I451 VanDerWaalsContact O-N 3.14Å; E407-I451 HydrophobicContact CG-CG2 3.75Å; E407-I451 WeakPolarHBondContact OE1-CG2 3.4Å; K449-I451 PolarHBondContact O-N 3.27Å; I451-Y484 HydrophobicContact CG1-CD1 4.07Å; I451-Y484 HydrophobicContact CG1-CE1 3.74Å
452	K	92.9	Very high	94	Very high	153 Å²	153	36.7 Å²	36.7	67%	0.665	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-46	177.7	-61.9	174.3	-177.1	179.7	0	113	F450 Y484	F450-K452 VanDerWaalsContact C-N 3.29Å; F450-K452 PolarHBondContact O-N 3.1Å; F450-K452 VanDerWaalsContact O-N 3.09Å; K452-Y484 HydrophobicContact CB-CE1 3.75Å; K452-Y484 WeakPolarHBondContact CB-OH 3.47Å; K452-Y484 HydrophobicContact CD-CD1 4.25Å; K452-Y484 HydrophobicContact CD-CE1 3.86Å; K452-Y484 HydrophobicContact CG-CD1 4.43Å; K452-Y484 HydrophobicContact CG-CE1 3.69Å; K452-Y484 PolarHBondContact N-OH 2.8Å
453	C	95.1	Very high	94.4	Very high	31 Å²	31	36.5 Å²	36.5	21%	0.209	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-4	-173.5	70.3	0	0	0	0	113.8	F450 H455 C480 T482 Y484	F450-C453 VanDerWaalsContact CB-SG 3.52Å; C453-H455 PolarHBondContact O-N 3.22Å; C453-H455 PolarHBondContact O-ND1 3.39Å; C453-H455 PolarHBondContact SG-ND1 3.32Å; C453-C480 VanDerWaalsContact CB-SG 3.52Å; C453-C480 PolarHBondContact SG-SG 2.9Å; C453-T482 HydrophobicContact CB-CG2 4.44Å; C453-Y484 PolarHBondContact N-OH 2.85Å; C453-Y484 PolarHBondContact SG-OH 2.84Å
454	G	95.4	Very high	94.6	Very high	33 Å²	33	34 Å²	34	34%	0.34	18%	0.181	S	C	.	.			trans	68.8	0.6	171.3	0	0	0	0	0	117	K449 F450	K449-G454 VanDerWaalsContact CE-O 3.26Å; K449-G454 WeakPolarHBondContact CE-O 3.26Å; K449-G454 WeakPolarHBondContact CG-O 3.35Å; F450-G454 WeakPolarHBondContact O-CA 3.34Å; F450-G454 PolarHBondContact O-N 3.01Å
455	H	96.3	Very high	94.8	Very high	70 Å²	70	34.7 Å²	34.7	32%	0.324	18%	0.181	S	C	.	.			trans	-71.3	139.6	179.4	-67.2	75.5	0	0	0	111	F450 C453 S479 C480	F450-H455 HydrophobicContact CD2-CB 4.39Å; F450-H455 PolarHBondContact N-O 3.09Å; C453-H455 PolarHBondContact O-N 3.22Å; C453-H455 PolarHBondContact O-ND1 3.39Å; C453-H455 PolarHBondContact SG-ND1 3.32Å; H455-S479 WeakPolarHBondContact CD2-CB 3.29Å; H455-C480 PolarHBondContact CE1-SG 3.37Å
456	T	97.2	Very high	94.9	Very high	22 Å²	22	29.7 Å²	29.7	14%	0.135	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.9	-175.5	36	0	0	0	0	112.1	V409 P413 G448 K449	V409-T456 HydrophobicContact CG2-CG2 4.17Å; P413-T456 HydrophobicContact CG-CG2 4.38Å; G448-T456 WeakPolarHBondContact O-CA 3.33Å; K449-T456 HydrophobicContact CB-CG2 3.88Å; K449-T456 HydrophobicContact CD-CG2 4.41Å; K449-T456 HydrophobicContact CG-CG2 4Å
457	L	96.5	Very high	94.7	Very high	2 Å²	2	31 Å²	31	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	157	179.7	-62.2	171.2	0	0	0	110	M406 I418 I419 G448 F450 M459 M462 P478	M406-L457 HydrophobicContact CE-CB 4.27Å; I418-L457 HydrophobicContact CG1-CD2 3.84Å; I419-L457 HydrophobicContact CD1-CD1 4Å; G448-L457 PolarHBondContact N-O 2.94Å; G448-L457 PolarHBondContact O-N 3.41Å; F450-L457 HydrophobicContact CE2-CD1 3.89Å; L457-M459 PolarHBondContact O-N 3.49Å; L457-M462 HydrophobicContact CB-CG 4.08Å; L457-M462 HydrophobicContact CD1-CG 3.89Å; L457-M462 HydrophobicContact CD1-SD 3.63Å; L457-P478 HydrophobicContact CD1-CG 3.41Å; L457-P478 VanDerWaalsContact CD1-CG 3.41Å
458	H	95.8	Very high	94.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	132.1	165.7	-59.1	108.5	0	0	0	110.3	C417 C420 N426 A446 L460 C461 M462	C417-H458 WeakPolarHBondContact CB-ND1 3.46Å; C417-H458 PolarHBondContact SG-ND1 3.42Å; C420-H458 PolarHBondContact SG-ND1 2.96Å; N426-H458 PolarHBondContact O-NE2 3.12Å; A446-H458 CarbonylContact O-C 3.59Å; A446-H458 WeakPolarHBondContact O-CA 3.22Å; H458-L460 PolarHBondContact O-N 2.96Å; H458-C461 HydrophobicContact CB-CB 4.08Å; H458-C461 WeakPolarHBondContact O-CB 3.48Å; H458-C461 PolarHBondContact O-N 3.46Å; H458-M462 PolarHBondContact O-N 3.13Å; H458-M462 VanDerWaalsContact O-N 3.16Å
459	M	95.1	Very high	93.8	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.02	22%	0.219	C	C	.	.	H	α-helix	trans	-65.9	-29.3	178.6	-64.9	-175.2	79.2	0	0	111.8	I402 Q403 M406 V408 I442 A446 L457 M462 L463	I402-M459 HydrophobicContact CG2-CB 4.21Å; I402-M459 HydrophobicContact CG2-CE 3.79Å; I402-M459 HydrophobicContact CG2-CG 4.46Å; Q403-M459 HydrophobicContact CG-CE 4.06Å; M406-M459 HydrophobicContact CB-CE 4.42Å; V408-M459 HydrophobicContact CG2-CE 4.43Å; V408-M459 HydrophobicContact CG2-SD 3.82Å; I442-M459 HydrophobicContact CD1-CB 4.3Å; I442-M459 HydrophobicContact CG2-CB 3.52Å; A446-M459 HydrophobicContact CB-CB 4.24Å; A446-M459 HydrophobicContact CB-CG 4.38Å; A446-M459 HydrophobicContact CB-SD 4.19Å; A446-M459 PolarHBondContact O-N 3.23Å; L457-M459 PolarHBondContact O-N 3.49Å; M459-M462 PolarHBondContact O-N 3.35Å; M459-L463 WeakPolarHBondContact O-CB 3.25Å; M459-L463 PolarHBondContact O-N 2.87Å
460	L	93.7	Very high	93.3	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-67.7	-43.1	171.7	-79.1	-164.8	0	0	0	113.6	Y430 T432 I442 P444 H458 M462 L463 A464	Y430-L460 WeakPolarHBondContact O-CD1 3.48Å; T432-L460 HydrophobicContact CG2-CD1 3.77Å; T432-L460 HydrophobicContact CG2-CD2 3.36Å; T432-L460 HydrophobicContact CG2-CG 4.24Å; I442-L460 HydrophobicContact CB-CD2 3.72Å; I442-L460 HydrophobicContact CB-CG 4.46Å; I442-L460 HydrophobicContact CG2-CD2 3.8Å; I442-L460 HydrophobicContact CG2-CG 4.03Å; I442-L460 WeakPolarHBondContact O-CD2 3.31Å; P444-L460 HydrophobicContact CB-CD1 4.05Å; P444-L460 HydrophobicContact CG-CD1 3.97Å; H458-L460 PolarHBondContact O-N 2.96Å; L460-M462 PolarHBondContact O-N 2.55Å; L460-L463 HydrophobicContact CD2-CD2 4.03Å; L460-L463 PolarHBondContact O-N 3.09Å; L460-A464 WeakPolarHBondContact O-CB 3.39Å; L460-A464 PolarHBondContact O-N 2.81Å
461	C	94.3	Very high	93	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57.6	-41.1	173.7	-69.6	0	0	0	0	111.2	I419 C420 S428 Y430 H458 M465	I419-C461 HydrophobicContact CB-CB 3.75Å; I419-C461 HydrophobicContact CD1-CB 3.66Å; I419-C461 HydrophobicContact CG1-CB 4.28Å; I419-C461 HydrophobicContact CG2-CB 3.76Å; C420-C461 PolarHBondContact SG-SG 3.13Å; S428-C461 PolarHBondContact OG-SG 2.98Å; Y430-C461 HydrophobicContact CD2-CB 4.45Å; Y430-C461 VanDerWaalsContact CD2-SG 3.57Å; H458-C461 HydrophobicContact CB-CB 4.08Å; H458-C461 WeakPolarHBondContact O-CB 3.48Å; H458-C461 PolarHBondContact O-N 3.46Å; C461-M465 WeakPolarHBondContact O-CB 3.07Å; C461-M465 PolarHBondContact O-N 3.27Å
462	M	94.8	Very high	92.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.4	-38.6	175.8	-80.1	-62.6	-44.8	0	0	113.4	I402 M406 I419 F450 L457 H458 M459 L460 M465 Y466 L475 P478	I402-M462 HydrophobicContact CD1-CB 4.36Å; I402-M462 HydrophobicContact CG2-CB 4.36Å; M406-M462 HydrophobicContact CE-CB 4.42Å; M406-M462 HydrophobicContact CE-CG 3.84Å; M406-M462 HydrophobicContact SD-CB 3.86Å; M406-M462 HydrophobicContact SD-CE 4.37Å; M406-M462 HydrophobicContact SD-CG 3.65Å; I419-M462 HydrophobicContact CD1-CG 4.1Å; I419-M462 HydrophobicContact CD1-SD 3.81Å; F450-M462 HydrophobicContact CE1-CE 4.35Å; F450-M462 HydrophobicContact CE2-CE 4.38Å; F450-M462 HydrophobicContact CE2-SD 4.1Å; F450-M462 HydrophobicContact CZ-CE 3.55Å; F450-M462 HydrophobicContact CZ-SD 3.87Å; L457-M462 HydrophobicContact CB-CG 4.08Å; L457-M462 HydrophobicContact CD1-CG 3.89Å; L457-M462 HydrophobicContact CD1-SD 3.63Å; H458-M462 PolarHBondContact O-N 3.13Å; H458-M462 VanDerWaalsContact O-N 3.16Å; M459-M462 PolarHBondContact O-N 3.35Å; L460-M462 PolarHBondContact O-N 2.55Å; M462-M465 HydrophobicContact CE-CE 3.45Å; M462-M465 VanDerWaalsContact CE-CE 3.45Å; M462-M465 PolarHBondContact O-N 3.44Å; M462-M465 HydrophobicContact SD-CE 3.57Å; M462-M465 VanDerWaalsContact SD-CE 3.57Å; M462-Y466 WeakPolarHBondContact O-CB 3.47Å; M462-Y466 PolarHBondContact O-N 2.87Å; M462-L475 HydrophobicContact CE-CD1 4.2Å; M462-L475 HydrophobicContact CE-CD2 3.98Å; M462-L475 HydrophobicContact CE-CG 4.5Å; M462-P478 HydrophobicContact SD-CG 4.25Å
463	L	93.3	Very high	92.6	Very high	7 Å²	7	35.2 Å²	35.2	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-62.8	-45.2	173	-178.7	63	0	0	0	111.4	S398 E399 I402 I442 M459 L460 Y466 N467	S398-L463 VanDerWaalsContact CB-CD1 3.49Å; E399-L463 HydrophobicContact CG-CD1 4.25Å; E399-L463 HydrophobicContact CG-CD2 4.14Å; I402-L463 HydrophobicContact CG1-CB 4.11Å; I402-L463 HydrophobicContact CG1-CD1 4.01Å; I442-L463 HydrophobicContact CD1-CD2 4.23Å; M459-L463 WeakPolarHBondContact O-CB 3.25Å; M459-L463 PolarHBondContact O-N 2.87Å; L460-L463 HydrophobicContact CD2-CD2 4.03Å; L460-L463 PolarHBondContact O-N 3.09Å; L463-Y466 PolarHBondContact O-N 2.81Å; L463-N467 VanDerWaalsContact O-CB 3.23Å; L463-N467 WeakPolarHBondContact O-CB 3.43Å; L463-N467 PolarHBondContact O-N 3.11Å; L463-N467 PolarHBondContact O-ND2 3.23Å
464	A	92.2	Very high	92.5	Very high	19 Å²	19	34.3 Å²	34.3	16%	0.157	20%	0.202	C	C	.	.	H	α-helix	trans	-62.9	-44	176	0	0	0	0	0	111.6	Y430 L460 N467 N468	Y430-A464 HydrophobicContact CD1-CB 3.58Å; Y430-A464 HydrophobicContact CE1-CB 4.05Å; Y430-A464 HydrophobicContact CG-CB 4.08Å; L460-A464 WeakPolarHBondContact O-CB 3.39Å; L460-A464 PolarHBondContact O-N 2.81Å; A464-N467 PolarHBondContact O-N 2.73Å; A464-N468 PolarHBondContact O-N 2.79Å; A464-N468 VanDerWaalsContact O-N 3.1Å; A464-N468 PolarHBondContact O-ND2 2.94Å
465	M	92.4	Very high	92.4	Very high	67 Å²	67	33 Å²	33	33%	0.33	19%	0.187	S	C	.	.	H	α-helix	trans	-62.6	-44.2	175.9	-169.7	-175	74.2	0	0	111.9	I419 C461 M462 N468 G469 Q476 P478	I419-M465 HydrophobicContact CD1-SD 4.42Å; C461-M465 WeakPolarHBondContact O-CB 3.07Å; C461-M465 PolarHBondContact O-N 3.27Å; M462-M465 HydrophobicContact CE-CE 3.45Å; M462-M465 VanDerWaalsContact CE-CE 3.45Å; M462-M465 PolarHBondContact O-N 3.44Å; M462-M465 HydrophobicContact SD-CE 3.57Å; M462-M465 VanDerWaalsContact SD-CE 3.57Å; M465-N468 PolarHBondContact O-N 2.86Å; M465-G469 PolarHBondContact O-N 2.81Å; M465-Q476 WeakPolarHBondContact CE-O 3.21Å; M465-P478 HydrophobicContact SD-CB 4.21Å; M465-P478 HydrophobicContact SD-CG 4.42Å
466	Y	92.4	Very high	92.3	Very high	17 Å²	17	32.3 Å²	32.3	7%	0.067	18%	0.184	C	C	.	.	H	α-helix	trans	-64	-39.5	174.4	179.1	-103	0	0	0	112.2	S398 V401 I402 M462 L463 N468 G469 K471 G473 S474 L475	S398-Y466 WeakPolarHBondContact OG-CE1 3.31Å; V401-Y466 HydrophobicContact CB-CE1 4.29Å; V401-Y466 HydrophobicContact CB-CE2 4.48Å; V401-Y466 HydrophobicContact CG1-CD2 4.42Å; V401-Y466 HydrophobicContact CG1-CE2 3.9Å; V401-Y466 HydrophobicContact CG2-CE1 4.14Å; I402-Y466 HydrophobicContact CD1-CG 4.41Å; M462-Y466 WeakPolarHBondContact O-CB 3.47Å; M462-Y466 PolarHBondContact O-N 2.87Å; L463-Y466 PolarHBondContact O-N 2.81Å; Y466-N468 PolarHBondContact O-N 2.88Å; Y466-G469 PolarHBondContact O-N 2.77Å; Y466-K471 HydrophobicContact CD1-CG 4.46Å; Y466-K471 HydrophobicContact CE1-CB 4.28Å; Y466-K471 HydrophobicContact CE1-CG 4.06Å; Y466-K471 VanDerWaalsContact OH-CA 3.32Å; Y466-K471 WeakPolarHBondContact OH-CA 3.38Å; Y466-K471 PolarHBondContact OH-O 2.94Å; Y466-G473 PolarHBondContact OH-N 2.86Å; Y466-S474 WeakPolarHBondContact CE2-O 3.33Å; Y466-L475 HydrophobicContact CD2-CD2 3.51Å; Y466-L475 HydrophobicContact CE2-CD2 4.35Å; Y466-L475 HydrophobicContact CG-CD2 3.97Å
467	N	90.1	Very high	92.2	Very high	42 Å²	42	31.2 Å²	31.2	23%	0.225	18%	0.177	C	C	.	.	H	α-helix	trans	-69.5	-20.1	-179.6	-83.6	-27.8	0	0	0	114.2	S398 L463 A464 K471	S398-N467 VanDerWaalsContact CB-OD1 3.31Å; S398-N467 WeakPolarHBondContact CB-OD1 3.41Å; S398-N467 PolarHBondContact OG-OD1 2.75Å; L463-N467 VanDerWaalsContact O-CB 3.23Å; L463-N467 WeakPolarHBondContact O-CB 3.43Å; L463-N467 PolarHBondContact O-N 3.11Å; L463-N467 PolarHBondContact O-ND2 3.23Å; A464-N467 PolarHBondContact O-N 2.73Å; N467-K471 WeakPolarHBondContact O-CE 3.48Å; N467-K471 PolarHBondContact O-NZ 2.74Å; N467-K471 WeakPolarHBondContact OD1-CE 3.26Å
468	N	87.1	Confident	92.1	Very high	141 Å²	141	32.2 Å²	32.2	75%	0.754	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-3.5	169.9	-69.3	-48.8	0	0	0	113.3	A464 M465 Y466	A464-N468 PolarHBondContact O-N 2.79Å; A464-N468 VanDerWaalsContact O-N 3.1Å; A464-N468 PolarHBondContact O-ND2 2.94Å; M465-N468 PolarHBondContact O-N 2.86Å; Y466-N468 PolarHBondContact O-N 2.88Å
469	G	87.1	Confident	91.9	Very high	45 Å²	45	34.3 Å²	34.3	46%	0.464	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-163.2	-179.9	0	0	0	0	0	114.4	M465 Y466 K471	M465-G469 PolarHBondContact O-N 2.81Å; Y466-G469 PolarHBondContact O-N 2.77Å; G469-K471 VanDerWaalsContact C-N 3.25Å; G469-K471 PolarHBondContact O-N 3.27Å
470	T	85.1	Confident	91.8	Very high	65 Å²	65	36.5 Å²	36.5	40%	0.399	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-15.4	-177.4	47.9	0	0	0	0	115	D472 T490	T470-D472 PolarHBondContact O-N 2.82Å; T470-D472 PolarHBondContact OG1-OD2 2.79Å; T470-T490 HydrophobicContact CG2-CG2 3.78Å
471	K	89.6	Confident	91.6	Very high	114 Å²	114	42.5 Å²	42.5	50%	0.496	24%	0.24	S	C	.	.			trans	51.8	38.1	-176.6	-64.8	172.3	179.7	157	0	114.2	Y466 N467 G469 G473	Y466-K471 HydrophobicContact CD1-CG 4.46Å; Y466-K471 HydrophobicContact CE1-CB 4.28Å; Y466-K471 HydrophobicContact CE1-CG 4.06Å; Y466-K471 VanDerWaalsContact OH-CA 3.32Å; Y466-K471 WeakPolarHBondContact OH-CA 3.38Å; Y466-K471 PolarHBondContact OH-O 2.94Å; N467-K471 WeakPolarHBondContact O-CE 3.48Å; N467-K471 PolarHBondContact O-NZ 2.74Å; N467-K471 WeakPolarHBondContact OD1-CE 3.26Å; G469-K471 VanDerWaalsContact C-N 3.25Å; G469-K471 PolarHBondContact O-N 3.27Å; K471-G473 VanDerWaalsContact C-N 3.34Å; K471-G473 PolarHBondContact O-N 2.72Å
472	D	88.9	Confident	91.5	Very high	40 Å²	40	44.8 Å²	44.8	21%	0.214	25%	0.254	C	S	.	.	S	Bend	trans	-87.2	4.5	-175.5	63.5	1.3	0	0	0	115	T470 S474 T488	T470-D472 PolarHBondContact O-N 2.82Å; T470-D472 PolarHBondContact OG1-OD2 2.79Å; D472-S474 VanDerWaalsContact C-N 3.31Å; D472-S474 VanDerWaalsContact CG-OG 3.3Å; D472-S474 WeakPolarHBondContact OD1-CA 3.5Å; D472-S474 VanDerWaalsContact OD1-CB 3.25Å; D472-S474 WeakPolarHBondContact OD1-CB 3.39Å; D472-S474 PolarHBondContact OD1-N 2.05Å; D472-S474 PolarHBondContact OD1-OG 2.93Å; D472-S474 PolarHBondContact OD2-OG 3.44Å; D472-T488 WeakPolarHBondContact CB-OG1 3.31Å; D472-T488 WeakPolarHBondContact OD2-CA 3.07Å; D472-T488 PolarHBondContact OD2-N 3.41Å; D472-T488 VanDerWaalsContact OD2-O 3.06Å; D472-T488 PolarHBondContact OD2-OG1 3.12Å; D472-T488 VanDerWaalsContact OD2-OG1 3.08Å
473	G	91.5	Very high	91.5	Very high	16 Å²	16	46.1 Å²	46.1	17%	0.165	26%	0.26	C	S	.	.	S	Bend	trans	80.3	8.6	-174.3	0	0	0	0	0	114.5	Y405 Y466 K471	Y405-G473 WeakPolarHBondContact CE2-O 3.22Å; Y405-G473 PolarHBondContact OH-O 3.39Å; Y405-G473 VanDerWaalsContact OH-O 3.06Å; Y466-G473 PolarHBondContact OH-N 2.86Å; K471-G473 VanDerWaalsContact C-N 3.34Å; K471-G473 PolarHBondContact O-N 2.72Å
474	S	93.8	Very high	91.5	Very high	11 Å²	11	45.8 Å²	45.8	8%	0.077	26%	0.259	C	S	.	.			trans	-101.5	157.1	169.1	80.8	0	0	0	0	112.2	Y466 D472 Y484	Y466-S474 WeakPolarHBondContact CE2-O 3.33Å; D472-S474 VanDerWaalsContact C-N 3.31Å; D472-S474 VanDerWaalsContact CG-OG 3.3Å; D472-S474 WeakPolarHBondContact OD1-CA 3.5Å; D472-S474 VanDerWaalsContact OD1-CB 3.25Å; D472-S474 WeakPolarHBondContact OD1-CB 3.39Å; D472-S474 PolarHBondContact OD1-N 2.05Å; D472-S474 PolarHBondContact OD1-OG 2.93Å; D472-S474 PolarHBondContact OD2-OG 3.44Å; S474-Y484 CarbonylContact C-O 3.56Å; S474-Y484 WeakPolarHBondContact CA-O 3.37Å; S474-Y484 VanDerWaalsContact CB-O 3.25Å; S474-Y484 WeakPolarHBondContact CB-O 3.43Å
475	L	93.8	Very high	91.5	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.7	167.3	-69.2	178.3	0	0	0	110.5	V401 I402 Y405 F450 M462 Y466 I483 Y484	V401-L475 HydrophobicContact CG1-CD1 4.46Å; V401-L475 HydrophobicContact CG1-CD2 4.39Å; V401-L475 HydrophobicContact CG1-CG 4.06Å; I402-L475 HydrophobicContact CD1-CD1 3.81Å; I402-L475 HydrophobicContact CD1-CD2 3.8Å; I402-L475 HydrophobicContact CD1-CG 4.43Å; Y405-L475 HydrophobicContact CD2-CB 4.28Å; Y405-L475 HydrophobicContact CD2-CD1 3.85Å; Y405-L475 HydrophobicContact CD2-CG 3.99Å; F450-L475 HydrophobicContact CE1-CB 4.33Å; F450-L475 HydrophobicContact CE1-CD1 4.4Å; M462-L475 HydrophobicContact CE-CD1 4.2Å; M462-L475 HydrophobicContact CE-CD2 3.98Å; M462-L475 HydrophobicContact CE-CG 4.5Å; Y466-L475 HydrophobicContact CD2-CD2 3.51Å; Y466-L475 HydrophobicContact CE2-CD2 4.35Å; Y466-L475 HydrophobicContact CG-CD2 3.97Å; L475-I483 CarbonylContact O-C 3.45Å; L475-I483 WeakPolarHBondContact O-CA 3.32Å; L475-Y484 PolarHBondContact N-O 2.81Å; L475-Y484 PolarHBondContact O-N 3.41Å
476	Q	93.9	Very high	91.6	Very high	56 Å²	56	48.9 Å²	48.9	26%	0.262	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.2	169.6	-172.6	156.2	28.1	0	0	108.8	M465 P478 K481 T482 I483	M465-Q476 WeakPolarHBondContact CE-O 3.21Å; Q476-P478 WeakPolarHBondContact O-CD 3.48Å; Q476-K481 WeakPolarHBondContact CG-O 3.22Å; Q476-K481 PolarHBondContact NE2-O 3.03Å; Q476-T482 WeakPolarHBondContact CA-O 3.14Å; Q476-I483 HydrophobicContact CB-CG1 4.34Å; Q476-I483 HydrophobicContact CG-CG1 4.11Å
477	C	94.6	Very high	91.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.284	C	S	.	.			trans	-62.6	122.5	175.6	176.6	0	0	0	0	109.3	F450 S479 C480 K481 T482 Y484	F450-C477 HydrophobicContact CD2-CB 4.07Å; F450-C477 HydrophobicContact CE1-CB 4.42Å; F450-C477 HydrophobicContact CE2-CB 3.79Å; F450-C477 HydrophobicContact CG-CB 4.48Å; F450-C477 HydrophobicContact CZ-CB 3.97Å; C477-S479 PolarHBondContact O-N 3.43Å; C477-C480 PolarHBondContact SG-SG 3.14Å; C477-K481 WeakPolarHBondContact O-CA 3.14Å; C477-K481 PolarHBondContact O-N 3.37Å; C477-T482 PolarHBondContact N-O 3.48Å; C477-Y484 HydrophobicContact CB-CE2 4.35Å
478	P	94.1	Very high	91.9	Very high	22 Å²	22	49.8 Å²	49.8	14%	0.143	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-27.7	-176.5	26	-33	0	0	0	112.2	I418 I419 L457 M462 M465 Q476 K481	I418-P478 HydrophobicContact CD1-CB 4.11Å; I418-P478 HydrophobicContact CD1-CG 4.17Å; I418-P478 HydrophobicContact CG1-CG 4.42Å; I419-P478 HydrophobicContact CD1-CG 4.14Å; I419-P478 HydrophobicContact CG1-CG 4.17Å; L457-P478 HydrophobicContact CD1-CG 3.41Å; L457-P478 VanDerWaalsContact CD1-CG 3.41Å; M462-P478 HydrophobicContact SD-CG 4.25Å; M465-P478 HydrophobicContact SD-CB 4.21Å; M465-P478 HydrophobicContact SD-CG 4.42Å; Q476-P478 WeakPolarHBondContact O-CD 3.48Å; P478-K481 WeakPolarHBondContact O-CE 3.43Å; P478-K481 PolarHBondContact O-NZ 2.89Å
479	S	93	Very high	92.3	Very high	44 Å²	44	43.5 Å²	43.5	31%	0.308	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-58.9	-179	-33.4	0	0	0	0	112.3	I418 H455 C477	I418-S479 VanDerWaalsContact CD1-OG 3.31Å; I418-S479 WeakPolarHBondContact CD1-OG 3.31Å; H455-S479 WeakPolarHBondContact CD2-CB 3.29Å; C477-S479 PolarHBondContact O-N 3.43Å
480	C	91.9	Very high	92.7	Very high	50 Å²	50	42.1 Å²	42.1	34%	0.338	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	3.8	-171.9	60.9	0	0	0	0	114.8	C453 H455 C477 T482	C453-C480 VanDerWaalsContact CB-SG 3.52Å; C453-C480 PolarHBondContact SG-SG 2.9Å; H455-C480 PolarHBondContact CE1-SG 3.37Å; C477-C480 PolarHBondContact SG-SG 3.14Å; C480-T482 PolarHBondContact O-N 3.04Å; C480-T482 PolarHBondContact SG-OG1 2.88Å
481	K	90.8	Very high	93.3	Very high	132 Å²	132	39.4 Å²	39.4	57%	0.574	22%	0.219	S	C	*	.			trans	62.2	6.4	178.6	-46.7	-51	-177.3	-166.8	0	116.1	Q476 C477 P478 I483	Q476-K481 WeakPolarHBondContact CG-O 3.22Å; Q476-K481 PolarHBondContact NE2-O 3.03Å; C477-K481 WeakPolarHBondContact O-CA 3.14Å; C477-K481 PolarHBondContact O-N 3.37Å; P478-K481 WeakPolarHBondContact O-CE 3.43Å; P478-K481 PolarHBondContact O-NZ 2.89Å; K481-I483 PolarHBondContact O-N 3.02Å
482	T	92.2	Very high	93.7	Very high	48 Å²	48	34.1 Å²	34.1	29%	0.294	20%	0.197	S	C	.	.			trans	-53.1	132.5	171.2	-57	0	0	0	0	111.3	C453 Q476 C477 C480 Y484	C453-T482 HydrophobicContact CB-CG2 4.44Å; Q476-T482 WeakPolarHBondContact CA-O 3.14Å; C477-T482 PolarHBondContact N-O 3.48Å; C480-T482 PolarHBondContact O-N 3.04Å; C480-T482 PolarHBondContact SG-OG1 2.88Å; T482-Y484 HydrophobicContact CG2-CD2 4.45Å; T482-Y484 HydrophobicContact CG2-CE2 3.74Å
483	I	93.4	Very high	94.1	Very high	27 Å²	27	41.5 Å²	41.5	14%	0.138	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	138.1	179.6	-69.1	163.9	0	0	0	110.9	L475 Q476 K481 K487 S619 Q620	L475-I483 CarbonylContact O-C 3.45Å; L475-I483 WeakPolarHBondContact O-CA 3.32Å; Q476-I483 HydrophobicContact CB-CG1 4.34Å; Q476-I483 HydrophobicContact CG-CG1 4.11Å; K481-I483 PolarHBondContact O-N 3.02Å; I483-K487 HydrophobicContact CD1-CB 4.37Å; I483-K487 HydrophobicContact CD1-CD 3.68Å; I483-K487 HydrophobicContact CG1-CD 4.35Å; I483-K487 HydrophobicContact CG2-CB 3.91Å; I483-S619 WeakPolarHBondContact CD1-O 3.36Å; I483-Q620 VanDerWaalsContact CD1-C 3.46Å
484	Y	93	Very high	94.3	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.7	176.8	-63.1	-98.3	0	0	0	108.6	Y405 F450 I451 K452 C453 S474 L475 C477 T482	Y405-Y484 HydrophobicContact CD1-CD1 4.23Å; Y405-Y484 HydrophobicContact CD1-CG 4.46Å; Y405-Y484 HydrophobicContact CG-CD1 4.23Å; Y405-Y484 HydrophobicContact CG-CG 4.2Å; F450-Y484 HydrophobicContact CB-CE2 4.38Å; F450-Y484 WeakPolarHBondContact CB-OH 3.34Å; F450-Y484 AromaticContact CD1-CD2 3.81Å; F450-Y484 HydrophobicContact CD1-CD2 3.81Å; F450-Y484 HydrophobicContact CD1-CE1 4.2Å; F450-Y484 AromaticContact CD1-CE2 3.36Å; F450-Y484 HydrophobicContact CD1-CE2 3.36Å; F450-Y484 HydrophobicContact CD1-CG 4.42Å; F450-Y484 AromaticContact CD1-CZ 3.6Å; F450-Y484 AromaticContact CE1-CD2 3.86Å; F450-Y484 HydrophobicContact CE1-CD2 3.86Å; F450-Y484 AromaticContact CE1-CE2 3.78Å; F450-Y484 HydrophobicContact CE1-CE2 3.78Å; F450-Y484 HydrophobicContact CG-CE2 4.06Å; I451-Y484 HydrophobicContact CG1-CD1 4.07Å; I451-Y484 HydrophobicContact CG1-CE1 3.74Å; K452-Y484 HydrophobicContact CB-CE1 3.75Å; K452-Y484 WeakPolarHBondContact CB-OH 3.47Å; K452-Y484 HydrophobicContact CD-CD1 4.25Å; K452-Y484 HydrophobicContact CD-CE1 3.86Å; K452-Y484 HydrophobicContact CG-CD1 4.43Å; K452-Y484 HydrophobicContact CG-CE1 3.69Å; K452-Y484 PolarHBondContact N-OH 2.8Å; C453-Y484 PolarHBondContact N-OH 2.85Å; C453-Y484 PolarHBondContact SG-OH 2.84Å; S474-Y484 CarbonylContact C-O 3.56Å; S474-Y484 WeakPolarHBondContact CA-O 3.37Å; S474-Y484 VanDerWaalsContact CB-O 3.25Å; S474-Y484 WeakPolarHBondContact CB-O 3.43Å; L475-Y484 PolarHBondContact N-O 2.81Å; L475-Y484 PolarHBondContact O-N 3.41Å; C477-Y484 HydrophobicContact CB-CE2 4.35Å; T482-Y484 HydrophobicContact CG2-CD2 4.45Å; T482-Y484 HydrophobicContact CG2-CE2 3.74Å
485	G	92.5	Very high	94.4	Very high	40 Å²	40	47.9 Å²	47.9	41%	0.412	26%	0.258	S	S	.	.	S	Bend	trans	73.5	-166.6	-168.7	0	0	0	0	0	113.1	Y405	Y405-G485 WeakPolarHBondContact OH-CA 3.32Å
486	E	93.8	Very high	94.6	Very high	111 Å²	111	49.1 Å²	49.1	52%	0.519	27%	0.265	S	S	.	.			trans	-99.9	106.9	174.8	-179.8	168	89.2	0	0	109.4	R566	E486-R566 HydrophobicContact CG-CG 4.41Å; E486-R566 VanDerWaalsContact CG-NE 3.35Å; E486-R566 IonicContact OE1-NE 3.13Å; E486-R566 IonicContact OE2-CZ 3.23Å; E486-R566 IonicContact OE2-NE 2.79Å; E486-R566 PolarHBondContact OE2-NE 2.73Å; E486-R566 IonicContact OE2-NH2 2.75Å; E486-R566 PolarHBondContact OE2-NH2 2.78Å
487	K	94.1	Very high	94.7	Very high	36 Å²	36	49.5 Å²	49.5	16%	0.157	27%	0.266	C	S	.	.			trans	-68.5	133.5	176.2	-173.5	178.6	-176	-178.6	0	110.5	I483 L568	I483-K487 HydrophobicContact CD1-CB 4.37Å; I483-K487 HydrophobicContact CD1-CD 3.68Å; I483-K487 HydrophobicContact CG1-CD 4.35Å; I483-K487 HydrophobicContact CG2-CB 3.91Å; K487-L568 HydrophobicContact CG-CD2 4.36Å
488	T	95.3	Very high	94.8	Very high	41 Å²	41	52.7 Å²	52.7	25%	0.252	28%	0.283	S	S	.	.			trans	-127	165.2	173	69.5	0	0	0	0	110.4	D472 R566	D472-T488 WeakPolarHBondContact CB-OG1 3.31Å; D472-T488 WeakPolarHBondContact OD2-CA 3.07Å; D472-T488 PolarHBondContact OD2-N 3.41Å; D472-T488 VanDerWaalsContact OD2-O 3.06Å; D472-T488 PolarHBondContact OD2-OG1 3.12Å; D472-T488 VanDerWaalsContact OD2-OG1 3.08Å; T488-R566 CarbonylContact C-O 3.52Å; T488-R566 WeakPolarHBondContact CA-O 3.27Å; T488-R566 VanDerWaalsContact CB-O 3.29Å; T488-R566 WeakPolarHBondContact CB-O 3.1Å; T488-R566 HydrophobicContact CG2-CB 4.43Å
489	G	95.1	Very high	94.6	Very high	9 Å²	9	57 Å²	57	9%	0.093	30%	0.297	C	S	.	.			trans	-121	-172.9	178	0	0	0	0	0	113.4	R566 R567	G489-R566 PolarHBondContact N-O 2.84Å; G489-R567 CarbonylContact C-O 3.47Å; G489-R567 VanDerWaalsContact C-O 3.23Å; G489-R567 WeakPolarHBondContact CA-O 3.47Å; G489-R567 WeakPolarHBondContact O-CB 3.46Å
490	T	96.6	Very high	94.6	Very high	17 Å²	17	59.1 Å²	59.1	10%	0.104	31%	0.311	C	S	.	.			trans	-103.3	7.3	-173.2	62	0	0	0	0	112.7	T470 E528 H529 R567 T571	T470-T490 HydrophobicContact CG2-CG2 3.78Å; T490-E528 HydrophobicContact CG2-CB 4.09Å; T490-E528 HydrophobicContact CG2-CG 3.95Å; T490-E528 WeakPolarHBondContact CG2-O 3.43Å; T490-H529 WeakPolarHBondContact CB-NE2 3.47Å; T490-H529 CovalentContact O-NE2 1.77Å; T490-H529 PolarHBondContact O-NE2 2.85Å; T490-R567 PolarHBondContact N-O 3.48Å; T490-R567 PolarHBondContact O-NH2 2.98Å; T490-T571 PolarHBondContact OG1-OG1 3.39Å
491	Q	98.3	Very high	94.5	Very high	7 Å²	7	58.7 Å²	58.7	3%	0.033	31%	0.307	C	S	.	.			trans	-39.6	124	178.7	-177.4	-179	-73.1	0	0	112.6	I520 W564 R567 I569 F570	Q491-I520 HydrophobicContact CG-CD1 4.17Å; Q491-W564 HydrophobicContact CG-CZ3 4.45Å; Q491-W564 VanDerWaalsContact NE2-CZ3 3.29Å; Q491-W564 PolarHBondContact NE2-O 3.08Å; Q491-R567 HydrophobicContact CB-CB 3.71Å; Q491-R567 HydrophobicContact CB-CG 4.43Å; Q491-R567 WeakPolarHBondContact CB-O 3.44Å; Q491-R567 PolarHBondContact N-O 2.85Å; Q491-R567 VanDerWaalsContact O-CZ 3.3Å; Q491-R567 PolarHBondContact O-NE 2.95Å; Q491-R567 PolarHBondContact O-NH2 2.94Å; Q491-I569 VanDerWaalsContact OE1-N 3.12Å; Q491-F570 WeakPolarHBondContact CA-O 3.41Å; Q491-F570 WeakPolarHBondContact CB-O 3.46Å; Q491-F570 HydrophobicContact CG-CB 4.12Å; Q491-F570 HydrophobicContact CG-CD2 4.35Å; Q491-F570 PolarHBondContact N-O 3.49Å
492	P	97.4	Very high	94.5	Very high	4 Å²	4	57.2 Å²	57.2	3%	0.026	32%	0.32	C	S	.	.			trans	-62.1	162.9	175.2	-25	35.3	0	0	0	113	G494 I520 H529 F536 V572 V584	P492-G494 PolarHBondContact O-N 3.26Å; P492-I520 HydrophobicContact CB-CG2 3.92Å; P492-I520 HydrophobicContact CG-CG2 4.47Å; P492-H529 VanDerWaalsContact CG-CE1 3.48Å; P492-H529 WeakPolarHBondContact CG-CE1 3.2Å; P492-F536 HydrophobicContact CB-CE1 4.23Å; P492-F536 HydrophobicContact CB-CE2 3.92Å; P492-F536 HydrophobicContact CB-CZ 3.52Å; P492-F536 HydrophobicContact CG-CD2 4.47Å; P492-F536 HydrophobicContact CG-CE1 4.27Å; P492-F536 HydrophobicContact CG-CE2 3.89Å; P492-F536 HydrophobicContact CG-CZ 3.79Å; P492-V572 HydrophobicContact CG-CG2 3.55Å; P492-V584 HydrophobicContact CG-CG2 3.98Å
493	K	96.1	Very high	94.4	Very high	195 Å²	195	59.8 Å²	59.8	85%	0.848	33%	0.328	S	S	*	.	S	Bend	trans	-62.8	135.8	176.8	-65.6	176.2	-176.6	170	0	110.1	P521	K493-P521 WeakPolarHBondContact O-CD 3.39Å
494	G	96.1	Very high	94.5	Very high	34 Å²	34	60.4 Å²	60.4	35%	0.351	34%	0.335	S	S	.	.			trans	-166.6	-159.6	178.1	0	0	0	0	0	111.6	P492 S519	P492-G494 PolarHBondContact O-N 3.26Å; G494-S519 CarbonylContact C-O 3.52Å; G494-S519 WeakPolarHBondContact CA-O 3.36Å
495	K	96.3	Very high	94.5	Very high	126 Å²	126	60.5 Å²	60.5	55%	0.548	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	149.5	174.7	-60.7	-178.5	175.8	-174.9	0	111.4	E497 Y518 S519 W564	K495-E497 HydrophobicContact CB-CG 4.49Å; K495-E497 IonicContact NZ-OE1 2.86Å; K495-Y518 WeakPolarHBondContact O-CA 3.47Å; K495-S519 PolarHBondContact N-O 3.11Å; K495-S519 PolarHBondContact O-N 3.37Å; K495-W564 WeakPolarHBondContact O-CH2 3.47Å
496	M	98.1	Very high	94.6	Very high	31 Å²	31	60.1 Å²	60.1	15%	0.153	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	118.9	164.1	176.2	-172.3	-170.3	0	0	106.4	I498 I516 I517 Y518 L557 L560 K561 W564	M496-I498 HydrophobicContact CE-CD1 4.35Å; M496-I498 HydrophobicContact CE-CG1 4.42Å; M496-I498 HydrophobicContact CG-CD1 4.49Å; M496-I516 HydrophobicContact CE-CD1 4.27Å; M496-I516 HydrophobicContact CE-CG2 3.73Å; M496-I516 HydrophobicContact CG-CG2 4.03Å; M496-I517 WeakPolarHBondContact CA-O 3.46Å; M496-Y518 HydrophobicContact CB-CD1 3.92Å; M496-Y518 HydrophobicContact CB-CE1 3.97Å; M496-Y518 HydrophobicContact CE-CE1 4.1Å; M496-Y518 HydrophobicContact CG-CD1 3.92Å; M496-Y518 HydrophobicContact CG-CE1 3.56Å; M496-Y518 HydrophobicContact SD-CE1 3.88Å; M496-L557 HydrophobicContact CE-CD1 4.26Å; M496-L560 HydrophobicContact CE-CB 4.19Å; M496-K561 HydrophobicContact CE-CG 4.08Å; M496-K561 HydrophobicContact SD-CG 4.29Å; M496-W564 HydrophobicContact CB-CD2 3.69Å; M496-W564 HydrophobicContact CB-CE3 4.2Å; M496-W564 HydrophobicContact CB-CG 3.95Å; M496-W564 HydrophobicContact CB-CZ2 4.13Å; M496-W564 HydrophobicContact CG-CD2 4.48Å; M496-W564 HydrophobicContact CG-CG 4.47Å; M496-W564 HydrophobicContact SD-CB 3.68Å; M496-W564 HydrophobicContact SD-CD2 4.27Å; M496-W564 HydrophobicContact SD-CG 3.73Å
497	E	95.8	Very high	94.7	Very high	64 Å²	64	57.8 Å²	57.8	30%	0.299	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	143.6	-179.5	-65.4	171.8	154.9	0	0	108.3	K495 Y499 I517	K495-E497 HydrophobicContact CB-CG 4.49Å; K495-E497 IonicContact NZ-OE1 2.86Å; E497-Y499 HydrophobicContact CB-CE2 3.74Å; E497-I517 HydrophobicContact CB-CB 4.46Å; E497-I517 PolarHBondContact N-O 3.35Å; E497-I517 PolarHBondContact O-N 2.71Å
498	I	97	Very high	94.8	Very high	67 Å²	67	57.5 Å²	57.5	34%	0.344	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.2	-170.4	-59	130.8	0	0	0	109.2	M496 I514 Q515 L557 K561	M496-I498 HydrophobicContact CE-CD1 4.35Å; M496-I498 HydrophobicContact CE-CG1 4.42Å; M496-I498 HydrophobicContact CG-CD1 4.49Å; I498-I514 HydrophobicContact CG2-CG2 3.89Å; I498-Q515 WeakPolarHBondContact CA-O 3.35Å; I498-L557 HydrophobicContact CD1-CD1 4.18Å; I498-L557 HydrophobicContact CG1-CD1 3.95Å; I498-L557 HydrophobicContact CG2-CD1 4.12Å; I498-L557 HydrophobicContact CG2-CD2 4.05Å; I498-K561 HydrophobicContact CD1-CG 4.37Å
499	Y	90.8	Very high	94.7	Very high	114 Å²	114	60.9 Å²	60.9	45%	0.447	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147.3	-177.1	-59	-91.2	0	0	0	109.9	E497 Q515 I517	E497-Y499 HydrophobicContact CB-CE2 3.74Å; Y499-Q515 PolarHBondContact N-O 3.25Å; Y499-Q515 PolarHBondContact O-N 3.07Å; Y499-I517 HydrophobicContact CD2-CD1 3.79Å; Y499-I517 HydrophobicContact CD2-CG1 4.1Å; Y499-I517 HydrophobicContact CE2-CD1 3.61Å; Y499-I517 HydrophobicContact CE2-CG1 4.13Å
500	S	91.9	Very high	94.7	Very high	87 Å²	87	66.6 Å²	66.6	61%	0.608	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	138	168.3	-175.7	0	0	0	0	109.3	D549	S500-D549 PolarHBondContact OG-OD2 3.41Å
501	V	90.7	Very high	94.7	Very high	42 Å²	42	66.7 Å²	66.7	26%	0.255	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.8	-176.1	178.3	0	0	0	0	108	Q503 T513 Q515 M595	V501-Q503 HydrophobicContact CG1-CB 4.21Å; V501-Q503 PolarHBondContact O-N 3.45Å; V501-T513 PolarHBondContact N-O 2.83Å; V501-T513 PolarHBondContact O-N 3.48Å; V501-Q515 HydrophobicContact CG2-CB 4.07Å; V501-M595 HydrophobicContact CG1-CE 4.14Å
502	A	89.9	Confident	94.6	Very high	101 Å²	101	67.2 Å²	67.2	84%	0.835	39%	0.39	S	S	*	.	S	Bend	trans	-68.3	-19	-173.8	0	0	0	0	0	114.5
503	Q	90.7	Very high	94.6	Very high	101 Å²	101	67 Å²	67	47%	0.472	39%	0.389	S	S	.	.	S	Bend	trans	-73.1	129.5	177.3	-179.2	174	12.5	0	0	110.9	V501 T513 M595 M596	V501-Q503 HydrophobicContact CG1-CB 4.21Å; V501-Q503 PolarHBondContact O-N 3.45Å; Q503-T513 WeakPolarHBondContact O-CB 3.2Å; Q503-T513 PolarHBondContact O-N 3.12Å; Q503-T513 PolarHBondContact O-OG1 3.09Å; Q503-M595 HydrophobicContact CB-CE 3.9Å; Q503-M595 HydrophobicContact CG-CE 3.92Å; Q503-M596 HydrophobicContact CG-SD 4.38Å; Q503-M596 PolarHBondContact NE2-SD 2.84Å; Q503-M596 VanDerWaalsContact NE2-SD 3.37Å
504	S	94.8	Very high	94.7	Very high	40 Å²	40	58 Å²	58	28%	0.28	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-73.5	148	174.7	-56.5	0	0	0	0	113.2	H508 C511	S504-H508 WeakPolarHBondContact CB-O 3.32Å; S504-C511 WeakPolarHBondContact CA-O 3.44Å; S504-C511 VanDerWaalsContact CB-O 3.27Å; S504-C511 WeakPolarHBondContact CB-O 3.37Å; S504-C511 PolarHBondContact OG-O 2.95Å
505	L	94.2	Very high	94.8	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.021	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-78.4	150.2	171.6	-63.6	175.5	0	0	0	111.6	G507 H508 T513 F546 P548 M595 Y604	L505-G507 PolarHBondContact O-N 3.25Å; L505-H508 HydrophobicContact CB-CB 4.45Å; L505-H508 CarbonylContact O-C 3.53Å; L505-H508 PolarHBondContact O-N 2.58Å; L505-T513 HydrophobicContact CD1-CG2 4.26Å; L505-T513 HydrophobicContact CD2-CG2 3.81Å; L505-T513 WeakPolarHBondContact CD2-OG1 3.49Å; L505-T513 HydrophobicContact CG-CG2 4.03Å; L505-T513 WeakPolarHBondContact CG-OG1 2.95Å; L505-F546 HydrophobicContact CD1-CB 4.45Å; L505-F546 HydrophobicContact CD2-CB 4.12Å; L505-P548 HydrophobicContact CD1-CB 4.22Å; L505-M595 HydrophobicContact CD2-CB 4.49Å; L505-M595 HydrophobicContact CD2-CE 4.38Å; L505-M595 HydrophobicContact CD2-CG 3.55Å; L505-M595 WeakPolarHBondContact CD2-O 3.33Å; L505-Y604 HydrophobicContact CB-CD1 4.43Å; L505-Y604 HydrophobicContact CB-CG 4.3Å; L505-Y604 HydrophobicContact CD1-CD1 4.18Å; L505-Y604 HydrophobicContact CD1-CD2 3.91Å; L505-Y604 HydrophobicContact CD1-CE1 3.87Å; L505-Y604 HydrophobicContact CD1-CE2 3.56Å; L505-Y604 HydrophobicContact CD1-CG 4.2Å; L505-Y604 HydrophobicContact CD2-CD2 4.13Å; L505-Y604 HydrophobicContact CD2-CE2 4.38Å; L505-Y604 HydrophobicContact CG-CD2 4.45Å
506	P	94.4	Very high	94.8	Very high	32 Å²	32	52.4 Å²	52.4	21%	0.208	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	123.5	166.6	-23.8	33.4	0	0	0	111.3	M595 M596 P605	P506-M595 VanDerWaalsContact CD-O 3.22Å; P506-M595 WeakPolarHBondContact CD-O 3.2Å; P506-M596 HydrophobicContact CG-CE 4.12Å; P506-P605 HydrophobicContact CB-CB 4.28Å; P506-P605 HydrophobicContact CB-CG 4.47Å; P506-P605 WeakPolarHBondContact O-CA 3.31Å; P506-P605 WeakPolarHBondContact O-CB 3.43Å
507	G	94.8	Very high	94.7	Very high	61 Å²	61	51.9 Å²	51.9	63%	0.629	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	-7.3	-175.4	0	0	0	0	0	115.5	L505	L505-G507 PolarHBondContact O-N 3.25Å
508	H	95.8	Very high	94.8	Very high	31 Å²	31	48.8 Å²	48.8	14%	0.144	30%	0.3	C	S	.	.			trans	-132.7	62.2	178.6	-61.2	-67.1	0	0	0	111.8	S504 L505 D510 P548	S504-H508 WeakPolarHBondContact CB-O 3.32Å; L505-H508 HydrophobicContact CB-CB 4.45Å; L505-H508 CarbonylContact O-C 3.53Å; L505-H508 PolarHBondContact O-N 2.58Å; H508-D510 PolarHBondContact O-N 2.76Å; H508-P548 HydrophobicContact CB-CB 3.78Å
509	P	94.8	Very high	94.7	Very high	111 Å²	111	47.3 Å²	47.3	72%	0.721	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-7.9	-172.7	33.9	-38.4	0	0	0	114.5
510	D	94.9	Very high	94.9	Very high	129 Å²	129	42.1 Å²	42.1	69%	0.69	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-6.3	-173.9	61	-43.7	0	0	0	113.7	H508	H508-D510 PolarHBondContact O-N 2.76Å
511	C	96	Very high	95	Very high	20 Å²	20	41.6 Å²	41.6	14%	0.135	27%	0.27	C	S	.	.	S	Bend	trans	-141.4	168.8	-179.3	60.1	0	0	0	0	112.8	S504 D549 N550	S504-C511 WeakPolarHBondContact CA-O 3.44Å; S504-C511 VanDerWaalsContact CB-O 3.27Å; S504-C511 WeakPolarHBondContact CB-O 3.37Å; S504-C511 PolarHBondContact OG-O 2.95Å; C511-D549 WeakPolarHBondContact CB-O 3.49Å; C511-N550 HydrophobicContact CB-CB 4.37Å
512	G	95.6	Very high	94.9	Very high	18 Å²	18	44.1 Å²	44.1	19%	0.186	29%	0.287	C	S	.	.			trans	-78.5	-164.4	171.6	0	0	0	0	0	112.5	D549	G512-D549 PolarHBondContact O-N 2.75Å
513	T	97.6	Very high	95.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.8	177	-59.5	0	0	0	0	111	V501 Q503 L505 F546 L547 M595	V501-T513 PolarHBondContact N-O 2.83Å; V501-T513 PolarHBondContact O-N 3.48Å; Q503-T513 WeakPolarHBondContact O-CB 3.2Å; Q503-T513 PolarHBondContact O-N 3.12Å; Q503-T513 PolarHBondContact O-OG1 3.09Å; L505-T513 HydrophobicContact CD1-CG2 4.26Å; L505-T513 HydrophobicContact CD2-CG2 3.81Å; L505-T513 WeakPolarHBondContact CD2-OG1 3.49Å; L505-T513 HydrophobicContact CG-CG2 4.03Å; L505-T513 WeakPolarHBondContact CG-OG1 2.95Å; T513-F546 HydrophobicContact CG2-CB 4.01Å; T513-F546 HydrophobicContact CG2-CD1 3.86Å; T513-F546 HydrophobicContact CG2-CG 4.42Å; T513-L547 CarbonylContact C-O 3.55Å; T513-L547 WeakPolarHBondContact CA-O 3.39Å; T513-M595 HydrophobicContact CG2-CE 4.17Å
514	I	98.4	Very high	95.4	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	115.9	163	-58.4	167.7	0	0	0	107.3	I498 I516 F546 L547 D549 R554 L557	I498-I514 HydrophobicContact CG2-CG2 3.89Å; I514-I516 HydrophobicContact CG2-CG1 4.21Å; I514-F546 WeakPolarHBondContact O-CA 3.41Å; I514-L547 HydrophobicContact CB-CB 4.24Å; I514-L547 PolarHBondContact N-O 2.94Å; I514-L547 PolarHBondContact O-N 3.16Å; I514-D549 HydrophobicContact CD1-CB 4.41Å; I514-D549 HydrophobicContact CG1-CB 3.86Å; I514-R554 HydrophobicContact CD1-CG 3.93Å; I514-L557 HydrophobicContact CD1-CB 4.47Å; I514-L557 HydrophobicContact CD1-CD2 4.23Å; I514-L557 HydrophobicContact CG2-CD1 4.34Å; I514-L557 HydrophobicContact CG2-CD2 4.02Å
515	Q	97.4	Very high	95.5	Very high	42 Å²	42	39.6 Å²	39.6	20%	0.196	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.8	169.7	-177	177.7	54.6	0	0	109.7	I498 Y499 V501 I517 C545 F546	I498-Q515 WeakPolarHBondContact CA-O 3.35Å; Y499-Q515 PolarHBondContact N-O 3.25Å; Y499-Q515 PolarHBondContact O-N 3.07Å; V501-Q515 HydrophobicContact CG2-CB 4.07Å; Q515-I517 HydrophobicContact CG-CG1 4.12Å; Q515-C545 CarbonylContact C-O 3.56Å; Q515-C545 WeakPolarHBondContact CA-O 3.5Å; Q515-F546 HydrophobicContact CB-CD1 4.35Å; Q515-F546 HydrophobicContact CB-CE1 4.37Å; Q515-F546 HydrophobicContact CG-CD1 4.27Å; Q515-F546 HydrophobicContact CG-CE1 3.91Å
516	I	98.2	Very high	95.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.3	172.3	-55.2	173.4	0	0	0	107.6	M496 I514 Y518 C545 L547 L557 L560	M496-I516 HydrophobicContact CE-CD1 4.27Å; M496-I516 HydrophobicContact CE-CG2 3.73Å; M496-I516 HydrophobicContact CG-CG2 4.03Å; I514-I516 HydrophobicContact CG2-CG1 4.21Å; I516-Y518 HydrophobicContact CG2-CD1 4.47Å; I516-Y518 HydrophobicContact CG2-CD2 4.25Å; I516-Y518 HydrophobicContact CG2-CE1 3.99Å; I516-Y518 HydrophobicContact CG2-CE2 3.76Å; I516-C545 HydrophobicContact CB-CB 4.33Å; I516-C545 PolarHBondContact N-O 2.9Å; I516-C545 PolarHBondContact O-N 3.34Å; I516-L547 HydrophobicContact CD1-CD1 3.93Å; I516-L547 HydrophobicContact CD1-CG 4.32Å; I516-L557 HydrophobicContact CD1-CD1 3.77Å; I516-L557 HydrophobicContact CG1-CD1 4.05Å; I516-L560 HydrophobicContact CD1-CD1 3.75Å
517	I	95.9	Very high	95.4	Very high	19 Å²	19	44.5 Å²	44.5	10%	0.097	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	114.8	177.5	-51.1	-174.1	0	0	0	108.5	M496 E497 Y499 Q515 P542 R543 F544	M496-I517 WeakPolarHBondContact CA-O 3.46Å; E497-I517 HydrophobicContact CB-CB 4.46Å; E497-I517 PolarHBondContact N-O 3.35Å; E497-I517 PolarHBondContact O-N 2.71Å; Y499-I517 HydrophobicContact CD2-CD1 3.79Å; Y499-I517 HydrophobicContact CD2-CG1 4.1Å; Y499-I517 HydrophobicContact CE2-CD1 3.61Å; Y499-I517 HydrophobicContact CE2-CG1 4.13Å; Q515-I517 HydrophobicContact CG-CG1 4.12Å; I517-P542 HydrophobicContact CG2-CB 3.75Å; I517-R543 WeakPolarHBondContact CA-O 3.37Å; I517-F544 HydrophobicContact CD1-CD1 3.89Å; I517-F544 HydrophobicContact CD1-CE1 3.72Å; I517-F544 HydrophobicContact CG1-CD1 3.87Å; I517-F544 HydrophobicContact CG1-CE1 4.17Å; I517-F544 HydrophobicContact CG2-CD1 4.39Å; I517-F544 HydrophobicContact CG2-CE1 4.29Å
518	Y	98.1	Very high	95.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	136.5	170.5	-60	-71.5	0	0	0	110.1	K495 M496 I516 F541 P542 R543 W564 I569 F570 W586 H591	K495-Y518 WeakPolarHBondContact O-CA 3.47Å; M496-Y518 HydrophobicContact CB-CD1 3.92Å; M496-Y518 HydrophobicContact CB-CE1 3.97Å; M496-Y518 HydrophobicContact CE-CE1 4.1Å; M496-Y518 HydrophobicContact CG-CD1 3.92Å; M496-Y518 HydrophobicContact CG-CE1 3.56Å; M496-Y518 HydrophobicContact SD-CE1 3.88Å; I516-Y518 HydrophobicContact CG2-CD1 4.47Å; I516-Y518 HydrophobicContact CG2-CD2 4.25Å; I516-Y518 HydrophobicContact CG2-CE1 3.99Å; I516-Y518 HydrophobicContact CG2-CE2 3.76Å; Y518-F541 WeakPolarHBondContact O-CD1 3.48Å; Y518-P542 CarbonylContact O-C 3.45Å; Y518-P542 VanDerWaalsContact O-CA 3.26Å; Y518-P542 WeakPolarHBondContact O-CA 3.37Å; Y518-R543 PolarHBondContact N-O 3.08Å; Y518-R543 PolarHBondContact O-N 3.41Å; Y518-W564 HydrophobicContact CD1-CD2 4.39Å; Y518-W564 AromaticContact CD1-CE3 3.53Å; Y518-W564 HydrophobicContact CD1-CE3 3.53Å; Y518-W564 HydrophobicContact CD1-CH2 4.3Å; Y518-W564 AromaticContact CD1-CZ3 3.47Å; Y518-W564 HydrophobicContact CD1-CZ3 3.47Å; Y518-W564 VanDerWaalsContact CD1-CZ3 3.47Å; Y518-W564 HydrophobicContact CE1-CD2 4.26Å; Y518-W564 AromaticContact CE1-CE3 3.54Å; Y518-W564 HydrophobicContact CE1-CE3 3.54Å; Y518-W564 HydrophobicContact CE1-CZ3 4Å; Y518-W564 HydrophobicContact CG-CZ3 4.38Å; Y518-I569 HydrophobicContact CE1-CG1 4.46Å; Y518-I569 HydrophobicContact CE1-CG2 4.33Å; Y518-I569 HydrophobicContact CE2-CG2 4.22Å; Y518-F570 AromaticContact CD1-CE2 3.89Å; Y518-F570 HydrophobicContact CD1-CE2 3.89Å; Y518-F570 HydrophobicContact CD1-CZ 4.5Å; Y518-F570 AromaticContact CD2-CE2 3.96Å; Y518-F570 HydrophobicContact CD2-CE2 3.96Å; Y518-F570 AromaticContact CD2-CZ 3.76Å; Y518-F570 HydrophobicContact CD2-CZ 3.76Å; Y518-F570 HydrophobicContact CE1-CE2 4.44Å; Y518-F570 HydrophobicContact CE2-CE2 4.49Å; Y518-F570 HydrophobicContact CE2-CZ 4.42Å; Y518-F570 AromaticContact CG-CE2 3.61Å; Y518-F570 HydrophobicContact CG-CE2 3.61Å; Y518-F570 AromaticContact CG-CZ 3.78Å; Y518-F570 HydrophobicContact CG-CZ 3.78Å; Y518-W586 HydrophobicContact CD2-CH2 4.1Å; Y518-W586 HydrophobicContact CD2-CZ3 4.31Å; Y518-W586 HydrophobicContact CE2-CH2 4.24Å; Y518-W586 HydrophobicContact CE2-CZ3 4.19Å; Y518-H591 AromaticContact CE2-CD2 3.62Å; Y518-H591 AromaticContact CE2-NE2 3.46Å; Y518-H591 WeakPolarHBondContact CE2-NE2 3.39Å; Y518-H591 AromaticContact CZ-NE2 3.57Å; Y518-H591 PolarHBondContact OH-NE2 3.24Å
519	S	94.1	Very high	95.1	Very high	36 Å²	36	44.2 Å²	44.2	25%	0.252	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	106	175.7	-67.9	0	0	0	0	110.2	G494 K495	G494-S519 CarbonylContact C-O 3.52Å; G494-S519 WeakPolarHBondContact CA-O 3.36Å; K495-S519 PolarHBondContact N-O 3.11Å; K495-S519 PolarHBondContact O-N 3.37Å
520	I	95.9	Very high	95.1	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	26%	0.263	C	S	.	.			trans	-114.4	118.7	174.3	-61.5	176.9	0	0	0	107.8	Q491 P492 C538 F541 W564 F570 V584	Q491-I520 HydrophobicContact CG-CD1 4.17Å; P492-I520 HydrophobicContact CB-CG2 3.92Å; P492-I520 HydrophobicContact CG-CG2 4.47Å; I520-C538 WeakPolarHBondContact O-CB 3.11Å; I520-F541 HydrophobicContact CB-CD1 4.23Å; I520-F541 HydrophobicContact CB-CE1 3.96Å; I520-F541 HydrophobicContact CB-CE2 4.35Å; I520-F541 HydrophobicContact CB-CZ 4.02Å; I520-F541 HydrophobicContact CD1-CE1 4.11Å; I520-F541 HydrophobicContact CD1-CZ 3.97Å; I520-F541 HydrophobicContact CG1-CE1 3.92Å; I520-F541 HydrophobicContact CG1-CZ 4.15Å; I520-W564 HydrophobicContact CD1-CH2 4.33Å; I520-W564 HydrophobicContact CD1-CZ3 4.31Å; I520-W564 HydrophobicContact CG1-CH2 4.17Å; I520-F570 HydrophobicContact CD1-CB 4.06Å; I520-F570 HydrophobicContact CD1-CD2 3.48Å; I520-F570 VanDerWaalsContact CD1-CD2 3.48Å; I520-F570 HydrophobicContact CD1-CE2 4.06Å; I520-F570 HydrophobicContact CD1-CG 3.83Å; I520-V584 HydrophobicContact CD1-CG1 3.93Å; I520-V584 HydrophobicContact CG2-CG1 4.48Å; I520-V584 HydrophobicContact CG2-CG2 4.19Å
521	P	92.4	Very high	95.1	Very high	77 Å²	77	40.1 Å²	40.1	50%	0.5	25%	0.248	S	C	.	.			trans	-78.2	154.2	174.3	33.2	-34.4	0	0	0	111.2	K493 C538	K493-P521 WeakPolarHBondContact O-CD 3.39Å; P521-C538 PolarHBondContact O-SG 3.17Å; P521-C538 VanDerWaalsContact O-SG 3.36Å
522	P	89.2	Confident	95.1	Very high	95 Å²	95	42.9 Å²	42.9	62%	0.617	27%	0.266	S	S	*	.			trans	-54.5	151.6	166.8	-22.5	33.2	0	0	0	111.7	C538	P522-C538 HydrophobicContact CG-CB 4.12Å
523	G	93.8	Very high	95.1	Very high	27 Å²	27	44.5 Å²	44.5	28%	0.278	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	-166.3	-177.3	0	0	0	0	0	113.1	P535 F536	G523-P535 CarbonylContact O-C 3.46Å; G523-P535 VanDerWaalsContact O-CA 3.31Å; G523-P535 WeakPolarHBondContact O-CA 3.11Å; G523-F536 VanDerWaalsContact C-CE1 3.42Å; G523-F536 PolarHBondContact N-O 3.39Å; G523-F536 WeakPolarHBondContact O-CD1 3.31Å; G523-F536 PolarHBondContact O-N 3.1Å
524	I	96.8	Very high	95	Very high	112 Å²	112	49.8 Å²	49.8	57%	0.574	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	138.7	175.4	-56.8	-56.4	0	0	0	109.2	G533 P535 F536	I524-G533 WeakPolarHBondContact CG2-O 3.45Å; I524-P535 HydrophobicContact CD1-CB 4.22Å; I524-F536 WeakPolarHBondContact O-CE1 3.22Å
525	Q	97.8	Very high	94.9	Very high	7 Å²	7	53.2 Å²	53.2	3%	0.033	33%	0.33	C	S	.	.			trans	-66.5	132.2	-179.2	-74	-172.4	60.5	0	0	111.7	H529 N531 G533 Q534 P535 F536 V572 D582	Q525-H529 VanDerWaalsContact CA-ND1 3.35Å; Q525-H529 WeakPolarHBondContact CA-ND1 3.45Å; Q525-H529 HydrophobicContact CB-CB 3.74Å; Q525-H529 HydrophobicContact CG-CB 3.96Å; Q525-N531 VanDerWaalsContact CB-O 3.22Å; Q525-N531 WeakPolarHBondContact CB-O 3.27Å; Q525-N531 PolarHBondContact OE1-O 2.92Å; Q525-G533 PolarHBondContact O-N 3.27Å; Q525-Q534 VanDerWaalsContact CB-O 3.31Å; Q525-Q534 WeakPolarHBondContact CB-O 3.34Å; Q525-Q534 WeakPolarHBondContact CG-O 3.46Å; Q525-Q534 PolarHBondContact N-O 3.49Å; Q525-P535 PolarHBondContact NE2-O 2.85Å; Q525-F536 HydrophobicContact CG-CB 4.02Å; Q525-F536 HydrophobicContact CG-CD1 3.84Å; Q525-F536 HydrophobicContact CG-CG 4.41Å; Q525-V572 HydrophobicContact CG-CG1 4.27Å; Q525-D582 PolarHBondContact NE2-OD1 2.86Å
526	G	93.5	Very high	94.9	Very high	18 Å²	18	51.8 Å²	51.8	19%	0.186	32%	0.323	C	S	.	.			trans	-79.7	174.8	175.4	0	0	0	0	0	112.6	E528 H529 P532	G526-E528 WeakPolarHBondContact CA-OE2 3.48Å; G526-E528 PolarHBondContact O-N 2.85Å; G526-E528 VanDerWaalsContact O-N 3.16Å; G526-H529 PolarHBondContact N-ND1 3.03Å; G526-H529 PolarHBondContact O-N 3.46Å; G526-H529 VanDerWaalsContact O-N 3.1Å; G526-P532 WeakPolarHBondContact O-CB 3.38Å
527	P	92.6	Very high	94.6	Very high	122 Å²	122	54 Å²	54	79%	0.792	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.7	174.4	28.5	-36.9	0	0	0	113.7
528	E	90	Very high	94.2	Very high	68 Å²	68	54.2 Å²	54.2	32%	0.318	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-0.7	175.6	73.1	-91.9	-136.8	0	0	114.7	T490 G526 R567	T490-E528 HydrophobicContact CG2-CB 4.09Å; T490-E528 HydrophobicContact CG2-CG 3.95Å; T490-E528 WeakPolarHBondContact CG2-O 3.43Å; G526-E528 WeakPolarHBondContact CA-OE2 3.48Å; G526-E528 PolarHBondContact O-N 2.85Å; G526-E528 VanDerWaalsContact O-N 3.16Å; E528-R567 IonicContact OE1-CZ 2.71Å; E528-R567 IonicContact OE1-NH1 2.71Å; E528-R567 PolarHBondContact OE1-NH1 3.26Å; E528-R567 IonicContact OE1-NH2 4Å; E528-R567 PolarHBondContact OE1-NH2 2.98Å
529	H	94.7	Very high	93.5	Very high	17 Å²	17	60.7 Å²	60.7	8%	0.079	36%	0.364	C	S	.	.	S	Bend	trans	-102.9	163	-176.8	-69.1	156.4	0	0	0	112.3	T490 P492 Q525 G526 N531 P532 F536	T490-H529 WeakPolarHBondContact CB-NE2 3.47Å; T490-H529 CovalentContact O-NE2 1.77Å; T490-H529 PolarHBondContact O-NE2 2.85Å; P492-H529 VanDerWaalsContact CG-CE1 3.48Å; P492-H529 WeakPolarHBondContact CG-CE1 3.2Å; Q525-H529 VanDerWaalsContact CA-ND1 3.35Å; Q525-H529 WeakPolarHBondContact CA-ND1 3.45Å; Q525-H529 HydrophobicContact CB-CB 3.74Å; Q525-H529 HydrophobicContact CG-CB 3.96Å; G526-H529 PolarHBondContact N-ND1 3.03Å; G526-H529 PolarHBondContact O-N 3.46Å; G526-H529 VanDerWaalsContact O-N 3.1Å; H529-N531 VanDerWaalsContact C-N 3.32Å; H529-N531 PolarHBondContact O-N 2.97Å; H529-P532 WeakPolarHBondContact O-CD 3.35Å; H529-F536 AromaticContact CE1-CE1 3.92Å
530	P	93.6	Very high	92.8	Very high	82 Å²	82	62 Å²	62	53%	0.532	38%	0.383	S	S	.	.	S	Bend	trans	-57.2	-38.4	-176.1	-27.4	36.4	0	0	0	114.8
531	N	95.1	Very high	92.4	Very high	73 Å²	73	63.7 Å²	63.7	39%	0.39	39%	0.39	S	S	.	.	S	Bend	trans	-127.6	76	-177.8	-66.5	-63.1	0	0	0	110.9	Q525 H529 G533 Q534 D582	Q525-N531 VanDerWaalsContact CB-O 3.22Å; Q525-N531 WeakPolarHBondContact CB-O 3.27Å; Q525-N531 PolarHBondContact OE1-O 2.92Å; H529-N531 VanDerWaalsContact C-N 3.32Å; H529-N531 PolarHBondContact O-N 2.97Å; N531-G533 PolarHBondContact O-N 2.9Å; N531-Q534 HydrophobicContact CB-CB 4Å; N531-Q534 HydrophobicContact CB-CG 3.91Å; N531-Q534 WeakPolarHBondContact O-CB 3.49Å; N531-Q534 PolarHBondContact O-N 3.38Å; N531-D582 PolarHBondContact ND2-OD1 2.9Å
532	P	96.1	Very high	92.4	Very high	77 Å²	77	63 Å²	63	50%	0.5	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	134.1	-176.4	-27	36.4	0	0	0	113	G526 H529 Q534	G526-P532 WeakPolarHBondContact O-CB 3.38Å; H529-P532 WeakPolarHBondContact O-CD 3.35Å; P532-Q534 VanDerWaalsContact C-N 3.28Å; P532-Q534 PolarHBondContact O-N 3.39Å
533	G	95.6	Very high	92.6	Very high	53 Å²	53	60.2 Å²	60.2	55%	0.546	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-12.8	-177.5	0	0	0	0	0	115.6	I524 Q525 N531	I524-G533 WeakPolarHBondContact CG2-O 3.45Å; Q525-G533 PolarHBondContact O-N 3.27Å; N531-G533 PolarHBondContact O-N 2.9Å
534	Q	96.8	Very high	92.5	Very high	110 Å²	110	63.2 Å²	63.2	51%	0.514	37%	0.369	S	S	.	.	S	Bend	trans	-79.3	156.6	171.2	-65.4	-58.3	-27.5	0	0	111.5	Q525 N531 P532	Q525-Q534 VanDerWaalsContact CB-O 3.31Å; Q525-Q534 WeakPolarHBondContact CB-O 3.34Å; Q525-Q534 WeakPolarHBondContact CG-O 3.46Å; Q525-Q534 PolarHBondContact N-O 3.49Å; N531-Q534 HydrophobicContact CB-CB 4Å; N531-Q534 HydrophobicContact CB-CG 3.91Å; N531-Q534 WeakPolarHBondContact O-CB 3.49Å; N531-Q534 PolarHBondContact O-N 3.38Å; P532-Q534 VanDerWaalsContact C-N 3.28Å; P532-Q534 PolarHBondContact O-N 3.39Å
535	P	96.1	Very high	92.5	Very high	78 Å²	78	58 Å²	58	51%	0.506	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	161.4	170.6	28.9	-35	0	0	0	111.8	G523 I524 Q525	G523-P535 CarbonylContact O-C 3.46Å; G523-P535 VanDerWaalsContact O-CA 3.31Å; G523-P535 WeakPolarHBondContact O-CA 3.11Å; I524-P535 HydrophobicContact CD1-CB 4.22Å; Q525-P535 PolarHBondContact NE2-O 2.85Å
536	F	96.8	Very high	92.5	Very high	13 Å²	13	58.4 Å²	58.4	6%	0.057	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.5	162.5	65.5	-98.5	0	0	0	111.4	P492 G523 I524 Q525 H529 V572 D582 V584	P492-F536 HydrophobicContact CB-CE1 4.23Å; P492-F536 HydrophobicContact CB-CE2 3.92Å; P492-F536 HydrophobicContact CB-CZ 3.52Å; P492-F536 HydrophobicContact CG-CD2 4.47Å; P492-F536 HydrophobicContact CG-CE1 4.27Å; P492-F536 HydrophobicContact CG-CE2 3.89Å; P492-F536 HydrophobicContact CG-CZ 3.79Å; G523-F536 VanDerWaalsContact C-CE1 3.42Å; G523-F536 PolarHBondContact N-O 3.39Å; G523-F536 WeakPolarHBondContact O-CD1 3.31Å; G523-F536 PolarHBondContact O-N 3.1Å; I524-F536 WeakPolarHBondContact O-CE1 3.22Å; Q525-F536 HydrophobicContact CG-CB 4.02Å; Q525-F536 HydrophobicContact CG-CD1 3.84Å; Q525-F536 HydrophobicContact CG-CG 4.41Å; H529-F536 AromaticContact CE1-CE1 3.92Å; F536-V572 HydrophobicContact CB-CG1 3.96Å; F536-V572 HydrophobicContact CB-CG2 4.3Å; F536-V572 HydrophobicContact CD1-CG2 4.26Å; F536-V572 HydrophobicContact CD2-CG2 4.41Å; F536-V572 HydrophobicContact CG-CG2 4.07Å; F536-D582 CarbonylContact C-O 3.56Å; F536-D582 WeakPolarHBondContact CA-O 3.45Å; F536-D582 VanDerWaalsContact CB-O 3.28Å; F536-D582 WeakPolarHBondContact CB-O 3.35Å; F536-V584 HydrophobicContact CD2-CG2 3.64Å; F536-V584 HydrophobicContact CE2-CG2 3.82Å
537	T	91.5	Very high	92.8	Very high	46 Å²	46	57.7 Å²	57.7	28%	0.282	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-92.1	160.7	179.2	75.6	0	0	0	0	111.8	E580 D582 T583 V584	T537-E580 WeakPolarHBondContact CB-OE1 3.43Å; T537-E580 WeakPolarHBondContact CG2-OE1 3.48Å; T537-E580 PolarHBondContact OG1-OE1 2.9Å; T537-D582 PolarHBondContact N-O 3.45Å; T537-T583 WeakPolarHBondContact O-CA 3.36Å; T537-T583 PolarHBondContact O-OG1 2.84Å; T537-T583 VanDerWaalsContact OG1-CB 3.26Å; T537-T583 WeakPolarHBondContact OG1-CB 3.33Å; T537-T583 PolarHBondContact OG1-OG1 3.45Å; T537-V584 PolarHBondContact O-N 3.13Å
538	C	87.7	Confident	93	Very high	23 Å²	23	51.9 Å²	51.9	16%	0.155	30%	0.298	C	S	.	.			trans	-133.2	79.8	-177.5	-72.1	0	0	0	0	110.7	I520 P521 P522 F541 V584	I520-C538 WeakPolarHBondContact O-CB 3.11Å; P521-C538 PolarHBondContact O-SG 3.17Å; P521-C538 VanDerWaalsContact O-SG 3.36Å; P522-C538 HydrophobicContact CG-CB 4.12Å; C538-F541 HydrophobicContact CB-CD2 3.92Å; C538-F541 HydrophobicContact CB-CE2 4.47Å; C538-V584 WeakPolarHBondContact SG-CG2 3.46Å
539	R	83.6	Confident	93.4	Very high	136 Å²	136	50.6 Å²	50.6	51%	0.513	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	138.7	-179.4	-56.8	-60.3	179.7	-176.2	-6.2	112.1	F541 R543 E580	R539-F541 VanDerWaalsContact C-N 3.33Å; R539-F541 WeakPolarHBondContact O-CD2 3.46Å; R539-F541 PolarHBondContact O-N 3.39Å; R539-R543 PolarHBondContact O-NE 2.82Å; R539-R543 PolarHBondContact O-NH2 2.72Å; R539-E580 WeakPolarHBondContact CG-OE2 3.47Å; R539-E580 IonicContact CZ-OE1 3.2Å; R539-E580 VanDerWaalsContact CZ-OE1 3.29Å; R539-E580 IonicContact CZ-OE2 2.65Å; R539-E580 VanDerWaalsContact NE-CD 3.34Å; R539-E580 IonicContact NE-OE1 2.69Å; R539-E580 PolarHBondContact NE-OE1 2.8Å; R539-E580 IonicContact NE-OE2 2.73Å; R539-E580 PolarHBondContact NE-OE2 3.2Å; R539-E580 IonicContact NH2-OE1 2.75Å; R539-E580 PolarHBondContact NH2-OE1 3.26Å; R539-E580 IonicContact NH2-OE2 2.73Å
540	G	80.1	Confident	93.6	Very high	63 Å²	63	51.3 Å²	51.3	65%	0.649	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	19.6	172.1	0	0	0	0	0	115.6	P542 R543	G540-P542 CarbonylContact O-C 3.51Å; G540-R543 WeakPolarHBondContact O-CG 3.19Å
541	F	86.4	Confident	93.8	Very high	40 Å²	40	53.2 Å²	53.2	18%	0.175	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-90.7	142.8	171.6	-74.8	-85.5	0	0	0	111.1	Y518 I520 C538 R539 R543 F570 V584	Y518-F541 WeakPolarHBondContact O-CD1 3.48Å; I520-F541 HydrophobicContact CB-CD1 4.23Å; I520-F541 HydrophobicContact CB-CE1 3.96Å; I520-F541 HydrophobicContact CB-CE2 4.35Å; I520-F541 HydrophobicContact CB-CZ 4.02Å; I520-F541 HydrophobicContact CD1-CE1 4.11Å; I520-F541 HydrophobicContact CD1-CZ 3.97Å; I520-F541 HydrophobicContact CG1-CE1 3.92Å; I520-F541 HydrophobicContact CG1-CZ 4.15Å; C538-F541 HydrophobicContact CB-CD2 3.92Å; C538-F541 HydrophobicContact CB-CE2 4.47Å; R539-F541 VanDerWaalsContact C-N 3.33Å; R539-F541 WeakPolarHBondContact O-CD2 3.46Å; R539-F541 PolarHBondContact O-N 3.39Å; F541-R543 HydrophobicContact CD1-CB 4.37Å; F541-R543 HydrophobicContact CD1-CG 3.98Å; F541-R543 HydrophobicContact CE1-CB 4.36Å; F541-R543 HydrophobicContact CE1-CG 4Å; F541-R543 HydrophobicContact CG-CG 4.31Å; F541-R543 HydrophobicContact CZ-CG 4.34Å; F541-F570 HydrophobicContact CE1-CE1 4.08Å; F541-F570 HydrophobicContact CE1-CE2 4.3Å; F541-F570 AromaticContact CE1-CZ 3.88Å; F541-F570 HydrophobicContact CE1-CZ 3.88Å; F541-F570 AromaticContact CZ-CD1 3.94Å; F541-F570 HydrophobicContact CZ-CD1 3.94Å; F541-F570 AromaticContact CZ-CE1 3.68Å; F541-F570 HydrophobicContact CZ-CE1 3.68Å; F541-F570 HydrophobicContact CZ-CE2 4.45Å; F541-F570 HydrophobicContact CZ-CG 4.44Å; F541-F570 AromaticContact CZ-CZ 3.95Å; F541-F570 HydrophobicContact CZ-CZ 3.95Å; F541-V584 HydrophobicContact CE2-CB 3.97Å; F541-V584 HydrophobicContact CE2-CG1 3.65Å; F541-V584 HydrophobicContact CZ-CB 4.49Å; F541-V584 HydrophobicContact CZ-CG1 3.67Å
542	P	93.6	Very high	93.9	Very high	62 Å²	62	53.6 Å²	53.6	40%	0.403	30%	0.301	S	S	.	.	S	Bend	cis	-67.6	137.9	-1.4	28.3	-35.1	0	0	0	113	I517 Y518 G540 F544	I517-P542 HydrophobicContact CG2-CB 3.75Å; Y518-P542 CarbonylContact O-C 3.45Å; Y518-P542 VanDerWaalsContact O-CA 3.26Å; Y518-P542 WeakPolarHBondContact O-CA 3.37Å; G540-P542 CarbonylContact O-C 3.51Å; P542-F544 HydrophobicContact CB-CE2 4.39Å; P542-F544 HydrophobicContact CB-CZ 4.37Å; P542-F544 HydrophobicContact CG-CE2 3.92Å; P542-F544 HydrophobicContact CG-CZ 3.86Å; P542-F544 WeakPolarHBondContact O-CD2 3.45Å; P542-F544 WeakPolarHBondContact O-CE2 3.35Å
543	R	92.3	Very high	94	Very high	37 Å²	37	49.9 Å²	49.9	14%	0.14	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.7	175.8	-70.7	-174.9	-172.7	177	11.9	108.9	I517 Y518 R539 G540 F541 V584 W586	I517-R543 WeakPolarHBondContact CA-O 3.37Å; Y518-R543 PolarHBondContact N-O 3.08Å; Y518-R543 PolarHBondContact O-N 3.41Å; R539-R543 PolarHBondContact O-NE 2.82Å; R539-R543 PolarHBondContact O-NH2 2.72Å; G540-R543 WeakPolarHBondContact O-CG 3.19Å; F541-R543 HydrophobicContact CD1-CB 4.37Å; F541-R543 HydrophobicContact CD1-CG 3.98Å; F541-R543 HydrophobicContact CE1-CB 4.36Å; F541-R543 HydrophobicContact CE1-CG 4Å; F541-R543 HydrophobicContact CG-CG 4.31Å; F541-R543 HydrophobicContact CZ-CG 4.34Å; R543-V584 PolarHBondContact NH2-O 3.21Å; R543-W586 HydrophobicContact CB-CZ2 4.38Å
544	F	92	Very high	94.2	Very high	91 Å²	91	52 Å²	52	40%	0.399	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	135.1	177.3	-55.9	-92.7	0	0	0	109.7	I517 P542 F546 T593	I517-F544 HydrophobicContact CD1-CD1 3.89Å; I517-F544 HydrophobicContact CD1-CE1 3.72Å; I517-F544 HydrophobicContact CG1-CD1 3.87Å; I517-F544 HydrophobicContact CG1-CE1 4.17Å; I517-F544 HydrophobicContact CG2-CD1 4.39Å; I517-F544 HydrophobicContact CG2-CE1 4.29Å; P542-F544 HydrophobicContact CB-CE2 4.39Å; P542-F544 HydrophobicContact CB-CZ 4.37Å; P542-F544 HydrophobicContact CG-CE2 3.92Å; P542-F544 HydrophobicContact CG-CZ 3.86Å; P542-F544 WeakPolarHBondContact O-CD2 3.45Å; P542-F544 WeakPolarHBondContact O-CE2 3.35Å; F544-F546 HydrophobicContact CB-CE2 4.27Å; F544-F546 HydrophobicContact CB-CZ 4.03Å; F544-T593 WeakPolarHBondContact O-CA 3.47Å
545	C	97.4	Very high	94.2	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.007	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	152.2	179.6	-54	0	0	0	0	110.5	Q515 I516 H591 K592	Q515-C545 CarbonylContact C-O 3.56Å; Q515-C545 WeakPolarHBondContact CA-O 3.5Å; I516-C545 HydrophobicContact CB-CB 4.33Å; I516-C545 PolarHBondContact N-O 2.9Å; I516-C545 PolarHBondContact O-N 3.34Å; C545-H591 HydrophobicContact CB-CB 4.11Å; C545-K592 CarbonylContact C-O 3.52Å; C545-K592 VanDerWaalsContact CA-O 3.22Å; C545-K592 WeakPolarHBondContact CA-O 3.29Å
546	F	97.8	Very high	94.4	Very high	17 Å²	17	46.2 Å²	46.2	8%	0.075	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.9	-169.4	-52.5	-82.6	0	0	0	112	L505 T513 I514 Q515 F544 K592 M595 Y604	L505-F546 HydrophobicContact CD1-CB 4.45Å; L505-F546 HydrophobicContact CD2-CB 4.12Å; T513-F546 HydrophobicContact CG2-CB 4.01Å; T513-F546 HydrophobicContact CG2-CD1 3.86Å; T513-F546 HydrophobicContact CG2-CG 4.42Å; I514-F546 WeakPolarHBondContact O-CA 3.41Å; Q515-F546 HydrophobicContact CB-CD1 4.35Å; Q515-F546 HydrophobicContact CB-CE1 4.37Å; Q515-F546 HydrophobicContact CG-CD1 4.27Å; Q515-F546 HydrophobicContact CG-CE1 3.91Å; F544-F546 HydrophobicContact CB-CE2 4.27Å; F544-F546 HydrophobicContact CB-CZ 4.03Å; F546-K592 PolarHBondContact N-O 3.33Å; F546-M595 HydrophobicContact CD1-CB 4Å; F546-M595 HydrophobicContact CD1-CG 3.81Å; F546-M595 HydrophobicContact CD1-SD 4.04Å; F546-M595 HydrophobicContact CD2-CB 3.85Å; F546-M595 HydrophobicContact CD2-CG 4.47Å; F546-M595 HydrophobicContact CE1-CB 3.91Å; F546-M595 HydrophobicContact CE1-CG 3.97Å; F546-M595 HydrophobicContact CE1-SD 3.8Å; F546-M595 HydrophobicContact CE2-CB 3.8Å; F546-M595 HydrophobicContact CG-CB 3.96Å; F546-M595 HydrophobicContact CG-CG 4.07Å; F546-M595 HydrophobicContact CZ-CB 3.82Å; F546-M595 HydrophobicContact CZ-CG 4.4Å; F546-M595 HydrophobicContact CZ-SD 4.46Å; F546-Y604 HydrophobicContact CB-CE2 4.16Å; F546-Y604 WeakPolarHBondContact O-CE2 3.41Å; F546-Y604 PolarHBondContact O-OH 3.06Å
547	L	98.6	Very high	94.4	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.016	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.8	168.5	-51	175.5	0	0	0	109	T513 I514 I516 V556 L557 L560 Y609 L610	T513-L547 CarbonylContact C-O 3.55Å; T513-L547 WeakPolarHBondContact CA-O 3.39Å; I514-L547 HydrophobicContact CB-CB 4.24Å; I514-L547 PolarHBondContact N-O 2.94Å; I514-L547 PolarHBondContact O-N 3.16Å; I516-L547 HydrophobicContact CD1-CD1 3.93Å; I516-L547 HydrophobicContact CD1-CG 4.32Å; L547-V556 HydrophobicContact CD1-CB 4.22Å; L547-V556 HydrophobicContact CD1-CG1 3.83Å; L547-V556 HydrophobicContact CD2-CG1 4.01Å; L547-L557 HydrophobicContact CD1-CB 4.06Å; L547-L560 HydrophobicContact CD1-CD1 4.1Å; L547-Y609 HydrophobicContact CD2-CE1 3.65Å; L547-L610 HydrophobicContact CD2-CD2 4.4Å
548	P	98.4	Very high	94.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	141.9	169.3	29.9	-35.5	0	0	0	110.6	L505 H508 N550 G553 L610	L505-P548 HydrophobicContact CD1-CB 4.22Å; H508-P548 HydrophobicContact CB-CB 3.78Å; P548-N550 PolarHBondContact O-N 2.88Å; P548-G553 WeakPolarHBondContact O-CA 3.45Å; P548-L610 HydrophobicContact CG-CD1 3.83Å; P548-L610 HydrophobicContact CG-CD2 4.49Å
549	D	98.3	Very high	95.3	Very high	41 Å²	41	46.7 Å²	46.7	22%	0.219	23%	0.231	C	C	.	.	S	Bend	trans	-83.5	56	178.5	-157.4	-8.7	0	0	0	111.6	S500 C511 G512 I514 R554	S500-D549 PolarHBondContact OG-OD2 3.41Å; C511-D549 WeakPolarHBondContact CB-O 3.49Å; G512-D549 PolarHBondContact O-N 2.75Å; I514-D549 HydrophobicContact CD1-CB 4.41Å; I514-D549 HydrophobicContact CG1-CB 3.86Å; D549-R554 VanDerWaalsContact C-NH1 3.26Å; D549-R554 PolarHBondContact O-NH1 3.34Å; D549-R554 IonicContact OD1-CZ 2.66Å; D549-R554 IonicContact OD1-NH1 2.95Å; D549-R554 PolarHBondContact OD1-NH1 3.45Å
550	N	97.7	Very high	96	Very high	31 Å²	31	40.2 Å²	40.2	17%	0.166	21%	0.207	C	C	.	.	S	Bend	trans	-114.8	175.7	171.3	65.3	37.3	0	0	0	110.4	C511 P548 K552 G553 R554	C511-N550 HydrophobicContact CB-CB 4.37Å; P548-N550 PolarHBondContact O-N 2.88Å; N550-K552 VanDerWaalsContact C-N 3.33Å; N550-K552 PolarHBondContact O-N 3.07Å; N550-K552 PolarHBondContact OD1-N 3.15Å; N550-G553 PolarHBondContact O-N 2.99Å; N550-G553 VanDerWaalsContact O-N 3.16Å; N550-G553 PolarHBondContact OD1-N 3.29Å; N550-R554 PolarHBondContact O-N 2.71Å
551	D	98.1	Very high	96.9	Very high	123 Å²	123	40.1 Å²	40.1	66%	0.658	19%	0.189	S	C	*	.	H	α-helix	trans	-61.8	-37.9	-172.9	-61.4	-44.1	0	0	0	113.4	R554 K555	D551-R554 IonicContact OD1-CZ 2.82Å; D551-R554 IonicContact OD1-NE 3.73Å; D551-R554 IonicContact OD1-NH2 3.19Å; D551-R554 PolarHBondContact OD1-NH2 3.07Å; D551-K555 VanDerWaalsContact O-CB 3.28Å; D551-K555 WeakPolarHBondContact O-CB 3.25Å; D551-K555 PolarHBondContact O-N 3.32Å
552	K	97.9	Very high	97.4	Very high	80 Å²	80	39 Å²	39	35%	0.348	19%	0.185	S	C	.	.	H	α-helix	trans	-69.2	-40.2	176.5	-166.5	-175.9	-69	-163.4	0	110.9	N550 K555 V556 L610 D611 L614	N550-K552 VanDerWaalsContact C-N 3.33Å; N550-K552 PolarHBondContact O-N 3.07Å; N550-K552 PolarHBondContact OD1-N 3.15Å; K552-K555 PolarHBondContact O-N 3.08Å; K552-V556 WeakPolarHBondContact O-CG2 3.49Å; K552-V556 PolarHBondContact O-N 3Å; K552-L610 HydrophobicContact CB-CD1 4.03Å; K552-L610 HydrophobicContact CD-CB 3.5Å; K552-L610 VanDerWaalsContact CD-CB 3.5Å; K552-L610 HydrophobicContact CD-CD1 3.93Å; K552-L610 HydrophobicContact CD-CG 4.38Å; K552-L610 HydrophobicContact CG-CB 4.02Å; K552-L610 HydrophobicContact CG-CD1 4.03Å; K552-D611 IonicContact NZ-OD1 3.59Å; K552-D611 PolarHBondContact NZ-OD1 3.14Å; K552-D611 IonicContact NZ-OD2 3.65Å; K552-D611 PolarHBondContact NZ-OD2 2.95Å; K552-L614 HydrophobicContact CD-CD1 4.43Å; K552-L614 HydrophobicContact CG-CD1 4.27Å
553	G	98.3	Very high	97.7	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.9	-42	175.3	0	0	0	0	0	113.7	P548 N550 V556 L557	P548-G553 WeakPolarHBondContact O-CA 3.45Å; N550-G553 PolarHBondContact O-N 2.99Å; N550-G553 VanDerWaalsContact O-N 3.16Å; N550-G553 PolarHBondContact OD1-N 3.29Å; G553-V556 PolarHBondContact O-N 2.73Å; G553-L557 PolarHBondContact O-N 3.5Å
554	R	98.5	Very high	98	Very high	96 Å²	96	36.1 Å²	36.1	36%	0.362	17%	0.166	S	C	.	.	H	α-helix	trans	-61.9	-40.9	172.4	-75.2	-174.2	-74.5	-89.4	2.6	112.3	I514 D549 N550 D551 L557 E558	I514-R554 HydrophobicContact CD1-CG 3.93Å; D549-R554 VanDerWaalsContact C-NH1 3.26Å; D549-R554 PolarHBondContact O-NH1 3.34Å; D549-R554 IonicContact OD1-CZ 2.66Å; D549-R554 IonicContact OD1-NH1 2.95Å; D549-R554 PolarHBondContact OD1-NH1 3.45Å; N550-R554 PolarHBondContact O-N 2.71Å; D551-R554 IonicContact OD1-CZ 2.82Å; D551-R554 IonicContact OD1-NE 3.73Å; D551-R554 IonicContact OD1-NH2 3.19Å; D551-R554 PolarHBondContact OD1-NH2 3.07Å; R554-L557 WeakPolarHBondContact O-CB 3.39Å; R554-L557 PolarHBondContact O-N 2.82Å; R554-E558 PolarHBondContact O-N 3.35Å
555	K	98.2	Very high	98.2	Very high	67 Å²	67	38.4 Å²	38.4	29%	0.291	18%	0.18	S	C	.	.	H	α-helix	trans	-61.7	-43.8	173.5	173.2	172.4	166.6	166.2	0	112.4	D551 K552 L557 E558 L559 E624	D551-K555 VanDerWaalsContact O-CB 3.28Å; D551-K555 WeakPolarHBondContact O-CB 3.25Å; D551-K555 PolarHBondContact O-N 3.32Å; K552-K555 PolarHBondContact O-N 3.08Å; K555-L557 VanDerWaalsContact C-N 3.35Å; K555-E558 PolarHBondContact O-N 3.34Å; K555-L559 WeakPolarHBondContact O-CG 3.44Å; K555-L559 PolarHBondContact O-N 3.09Å; K555-E624 VanDerWaalsContact CE-OE1 3.22Å; K555-E624 WeakPolarHBondContact CE-OE1 3.39Å; K555-E624 VanDerWaalsContact CE-OE2 3.27Å; K555-E624 WeakPolarHBondContact CE-OE2 3.25Å; K555-E624 IonicContact NZ-OE1 3.05Å; K555-E624 PolarHBondContact NZ-OE1 3.19Å; K555-E624 IonicContact NZ-OE2 3.67Å; K555-E624 PolarHBondContact NZ-OE2 3.22Å
556	V	98.6	Very high	98.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-42.2	172.3	169.4	0	0	0	0	111.2	L547 K552 G553 E558 L559 L560 L610 V613 L614	L547-V556 HydrophobicContact CD1-CB 4.22Å; L547-V556 HydrophobicContact CD1-CG1 3.83Å; L547-V556 HydrophobicContact CD2-CG1 4.01Å; K552-V556 WeakPolarHBondContact O-CG2 3.49Å; K552-V556 PolarHBondContact O-N 3Å; G553-V556 PolarHBondContact O-N 2.73Å; V556-E558 PolarHBondContact O-N 2.94Å; V556-L559 PolarHBondContact O-N 3.21Å; V556-L560 HydrophobicContact CG1-CD1 3.83Å; V556-L560 HydrophobicContact CG1-CG 4.16Å; V556-L560 WeakPolarHBondContact O-CB 3.34Å; V556-L560 WeakPolarHBondContact O-CG 3.4Å; V556-L560 PolarHBondContact O-N 3.23Å; V556-L610 HydrophobicContact CG2-CD2 4.16Å; V556-V613 HydrophobicContact CB-CG1 4.48Å; V556-V613 HydrophobicContact CG1-CG1 3.7Å; V556-V613 HydrophobicContact CG2-CG1 3.85Å; V556-L614 HydrophobicContact CG2-CD1 4.38Å; V556-L614 HydrophobicContact CG2-CD2 3.81Å; V556-L614 HydrophobicContact CG2-CG 3.78Å
557	L	98.6	Very high	98.2	Very high	13 Å²	13	43 Å²	43	7%	0.068	20%	0.196	C	C	.	.	H	α-helix	trans	-57.6	-47.5	176.2	170.3	67	0	0	0	112.5	M496 I498 I514 I516 L547 G553 R554 K555 L559 L560 K561	M496-L557 HydrophobicContact CE-CD1 4.26Å; I498-L557 HydrophobicContact CD1-CD1 4.18Å; I498-L557 HydrophobicContact CG1-CD1 3.95Å; I498-L557 HydrophobicContact CG2-CD1 4.12Å; I498-L557 HydrophobicContact CG2-CD2 4.05Å; I514-L557 HydrophobicContact CD1-CB 4.47Å; I514-L557 HydrophobicContact CD1-CD2 4.23Å; I514-L557 HydrophobicContact CG2-CD1 4.34Å; I514-L557 HydrophobicContact CG2-CD2 4.02Å; I516-L557 HydrophobicContact CD1-CD1 3.77Å; I516-L557 HydrophobicContact CG1-CD1 4.05Å; L547-L557 HydrophobicContact CD1-CB 4.06Å; G553-L557 PolarHBondContact O-N 3.5Å; R554-L557 WeakPolarHBondContact O-CB 3.39Å; R554-L557 PolarHBondContact O-N 2.82Å; K555-L557 VanDerWaalsContact C-N 3.35Å; L557-L559 VanDerWaalsContact C-N 3.32Å; L557-L559 PolarHBondContact O-N 2.59Å; L557-L560 PolarHBondContact O-N 3.01Å; L557-K561 WeakPolarHBondContact O-CG 3.44Å; L557-K561 PolarHBondContact O-N 2.73Å
558	E	98.6	Very high	98.2	Very high	76 Å²	76	42.9 Å²	42.9	36%	0.355	20%	0.196	S	C	.	.	H	α-helix	trans	-63.5	-38.6	179.7	-62.9	-46	128.7	0	0	112.1	R554 K555 V556 K561 V562 L627	R554-E558 PolarHBondContact O-N 3.35Å; K555-E558 PolarHBondContact O-N 3.34Å; V556-E558 PolarHBondContact O-N 2.94Å; E558-K561 WeakPolarHBondContact O-CB 3.29Å; E558-K561 PolarHBondContact O-N 3.09Å; E558-K561 IonicContact OE1-NZ 2.89Å; E558-K561 PolarHBondContact OE1-NZ 3.05Å; E558-K561 WeakPolarHBondContact OE2-CD 3.33Å; E558-K561 IonicContact OE2-NZ 2.69Å; E558-K561 PolarHBondContact OE2-NZ 2.96Å; E558-V562 PolarHBondContact O-N 2.91Å; E558-V562 VanDerWaalsContact O-N 3.16Å; E558-L627 HydrophobicContact CB-CD1 4.01Å; E558-L627 HydrophobicContact CB-CD2 3.82Å
559	L	98.5	Very high	98.2	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	20%	0.196	C	C	.	.	H	α-helix	trans	-68.4	-37.9	174.4	-65.2	172.3	0	0	0	112.2	K555 V556 L557 K561 V562 A563 L614 L617 V622 T623 L627	K555-L559 WeakPolarHBondContact O-CG 3.44Å; K555-L559 PolarHBondContact O-N 3.09Å; V556-L559 PolarHBondContact O-N 3.21Å; L557-L559 VanDerWaalsContact C-N 3.32Å; L557-L559 PolarHBondContact O-N 2.59Å; L559-K561 VanDerWaalsContact C-N 3.31Å; L559-K561 PolarHBondContact O-N 2.91Å; L559-V562 WeakPolarHBondContact O-CB 3.36Å; L559-V562 PolarHBondContact O-N 2.85Å; L559-V562 VanDerWaalsContact O-N 3.16Å; L559-A563 PolarHBondContact O-N 2.75Å; L559-L614 HydrophobicContact CD1-CD2 3.48Å; L559-L614 VanDerWaalsContact CD1-CD2 3.48Å; L559-L617 HydrophobicContact CB-CD1 3.81Å; L559-L617 HydrophobicContact CB-CD2 4.43Å; L559-V622 HydrophobicContact CB-CG1 4.09Å; L559-V622 HydrophobicContact CD2-CG1 4.08Å; L559-V622 WeakPolarHBondContact O-CG1 3.46Å; L559-T623 VanDerWaalsContact CD2-O 3.27Å; L559-T623 WeakPolarHBondContact CD2-O 3.34Å; L559-L627 HydrophobicContact CD2-CD1 3.95Å; L559-L627 HydrophobicContact CD2-CD2 4.12Å; L559-L627 HydrophobicContact CD2-CG 3.88Å; L559-L627 HydrophobicContact CG-CD1 4.23Å
560	L	98.7	Very high	98.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-35.4	172.8	-74.1	173	0	0	0	112.3	M496 I516 L547 V556 L557 A563 W564 I569 I589 L617	M496-L560 HydrophobicContact CE-CB 4.19Å; I516-L560 HydrophobicContact CD1-CD1 3.75Å; L547-L560 HydrophobicContact CD1-CD1 4.1Å; V556-L560 HydrophobicContact CG1-CD1 3.83Å; V556-L560 HydrophobicContact CG1-CG 4.16Å; V556-L560 WeakPolarHBondContact O-CB 3.34Å; V556-L560 WeakPolarHBondContact O-CG 3.4Å; V556-L560 PolarHBondContact O-N 3.23Å; L557-L560 PolarHBondContact O-N 3.01Å; L560-A563 PolarHBondContact O-N 2.7Å; L560-W564 WeakPolarHBondContact O-CB 3.43Å; L560-W564 PolarHBondContact O-N 2.88Å; L560-I569 HydrophobicContact CD2-CD1 3.74Å; L560-I589 HydrophobicContact CD2-CG2 3.83Å; L560-L617 HydrophobicContact CD2-CD1 4.34Å; L560-L617 HydrophobicContact CD2-CD2 4.25Å; L560-L617 HydrophobicContact CG-CD1 4.4Å
561	K	98.4	Very high	98.2	Very high	62 Å²	62	40.8 Å²	40.8	27%	0.27	19%	0.186	S	C	.	.	H	α-helix	trans	-63.1	-42.6	171.6	-69	167.6	-177.8	168.1	0	111.6	M496 I498 L557 E558 L559 W564 M565	M496-K561 HydrophobicContact CE-CG 4.08Å; M496-K561 HydrophobicContact SD-CG 4.29Å; I498-K561 HydrophobicContact CD1-CG 4.37Å; L557-K561 WeakPolarHBondContact O-CG 3.44Å; L557-K561 PolarHBondContact O-N 2.73Å; E558-K561 WeakPolarHBondContact O-CB 3.29Å; E558-K561 PolarHBondContact O-N 3.09Å; E558-K561 IonicContact OE1-NZ 2.89Å; E558-K561 PolarHBondContact OE1-NZ 3.05Å; E558-K561 WeakPolarHBondContact OE2-CD 3.33Å; E558-K561 IonicContact OE2-NZ 2.69Å; E558-K561 PolarHBondContact OE2-NZ 2.96Å; L559-K561 VanDerWaalsContact C-N 3.31Å; L559-K561 PolarHBondContact O-N 2.91Å; K561-W564 PolarHBondContact O-N 3.13Å; K561-M565 WeakPolarHBondContact O-CG 3.5Å; K561-M565 PolarHBondContact O-N 2.71Å
562	V	98	Very high	98.2	Very high	15 Å²	15	35.2 Å²	35.2	9%	0.091	16%	0.156	C	C	.	.	H	α-helix	trans	-62	-47.5	174.3	174.7	0	0	0	0	110.9	E558 L559 W564 M565 R566 V622 C626 L627	E558-V562 PolarHBondContact O-N 2.91Å; E558-V562 VanDerWaalsContact O-N 3.16Å; L559-V562 WeakPolarHBondContact O-CB 3.36Å; L559-V562 PolarHBondContact O-N 2.85Å; L559-V562 VanDerWaalsContact O-N 3.16Å; V562-W564 VanDerWaalsContact C-N 3.32Å; V562-W564 PolarHBondContact O-N 2.8Å; V562-M565 HydrophobicContact CG2-CE 4.21Å; V562-M565 PolarHBondContact O-N 3.22Å; V562-R566 HydrophobicContact CG1-CG 4.47Å; V562-R566 WeakPolarHBondContact O-CB 3.45Å; V562-R566 WeakPolarHBondContact O-CG 3.26Å; V562-R566 PolarHBondContact O-N 3.28Å; V562-V622 HydrophobicContact CB-CG1 3.92Å; V562-V622 HydrophobicContact CG1-CG1 3.84Å; V562-V622 HydrophobicContact CG1-CG2 4.49Å; V562-C626 HydrophobicContact CG1-CB 4.01Å; V562-L627 HydrophobicContact CG2-CD2 3.85Å
563	A	98.3	Very high	98.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.4	-39.8	176.6	0	0	0	0	0	112.2	L559 L560 R566 R567 L568 I569 I589 L617 V622	L559-A563 PolarHBondContact O-N 2.75Å; L560-A563 PolarHBondContact O-N 2.7Å; A563-R566 CarbonylContact O-C 3.55Å; A563-R566 PolarHBondContact O-N 3.48Å; A563-R567 PolarHBondContact O-N 3.32Å; A563-R567 VanDerWaalsContact O-N 3.13Å; A563-L568 HydrophobicContact CB-CB 4.21Å; A563-L568 WeakPolarHBondContact O-CB 3.44Å; A563-L568 PolarHBondContact O-N 2.99Å; A563-I569 HydrophobicContact CB-CD1 3.59Å; A563-I569 HydrophobicContact CB-CG1 4.4Å; A563-I589 HydrophobicContact CB-CD1 4.04Å; A563-L617 HydrophobicContact CB-CD2 3.71Å; A563-V622 HydrophobicContact CB-CG1 4.41Å; A563-V622 HydrophobicContact CB-CG2 4.11Å
564	W	98.3	Very high	97.8	Very high	39 Å²	39	36.6 Å²	36.6	15%	0.148	18%	0.175	C	C	.	.	H	α-helix	trans	-63.3	-45.6	173.8	174.3	-94	0	0	0	112.5	Q491 K495 M496 Y518 I520 L560 K561 V562 R566 R567 I569 F570	Q491-W564 HydrophobicContact CG-CZ3 4.45Å; Q491-W564 VanDerWaalsContact NE2-CZ3 3.29Å; Q491-W564 PolarHBondContact NE2-O 3.08Å; K495-W564 WeakPolarHBondContact O-CH2 3.47Å; M496-W564 HydrophobicContact CB-CD2 3.69Å; M496-W564 HydrophobicContact CB-CE3 4.2Å; M496-W564 HydrophobicContact CB-CG 3.95Å; M496-W564 HydrophobicContact CB-CZ2 4.13Å; M496-W564 HydrophobicContact CG-CD2 4.48Å; M496-W564 HydrophobicContact CG-CG 4.47Å; M496-W564 HydrophobicContact SD-CB 3.68Å; M496-W564 HydrophobicContact SD-CD2 4.27Å; M496-W564 HydrophobicContact SD-CG 3.73Å; Y518-W564 HydrophobicContact CD1-CD2 4.39Å; Y518-W564 AromaticContact CD1-CE3 3.53Å; Y518-W564 HydrophobicContact CD1-CE3 3.53Å; Y518-W564 HydrophobicContact CD1-CH2 4.3Å; Y518-W564 AromaticContact CD1-CZ3 3.47Å; Y518-W564 HydrophobicContact CD1-CZ3 3.47Å; Y518-W564 VanDerWaalsContact CD1-CZ3 3.47Å; Y518-W564 HydrophobicContact CE1-CD2 4.26Å; Y518-W564 AromaticContact CE1-CE3 3.54Å; Y518-W564 HydrophobicContact CE1-CE3 3.54Å; Y518-W564 HydrophobicContact CE1-CZ3 4Å; Y518-W564 HydrophobicContact CG-CZ3 4.38Å; I520-W564 HydrophobicContact CD1-CH2 4.33Å; I520-W564 HydrophobicContact CD1-CZ3 4.31Å; I520-W564 HydrophobicContact CG1-CH2 4.17Å; L560-W564 WeakPolarHBondContact O-CB 3.43Å; L560-W564 PolarHBondContact O-N 2.88Å; K561-W564 PolarHBondContact O-N 3.13Å; V562-W564 VanDerWaalsContact C-N 3.32Å; V562-W564 PolarHBondContact O-N 2.8Å; W564-R566 VanDerWaalsContact C-N 3.3Å; W564-R566 PolarHBondContact O-N 2.91Å; W564-R567 PolarHBondContact O-N 3.22Å; W564-I569 HydrophobicContact CB-CG1 4.08Å; W564-I569 HydrophobicContact CE3-CB 4.4Å; W564-I569 HydrophobicContact CE3-CG1 4.22Å; W564-F570 HydrophobicContact CZ3-CD2 4.02Å; W564-F570 AromaticContact CZ3-CE2 3.93Å; W564-F570 HydrophobicContact CZ3-CE2 3.93Å
565	M	97.5	Very high	97.5	Very high	139 Å²	139	33 Å²	33	69%	0.685	16%	0.164	S	C	*	.	H	α-helix	trans	-61.8	-38.2	175.3	-71.8	-173.2	-63.8	0	0	112.1	K561 V562 R567	K561-M565 WeakPolarHBondContact O-CG 3.5Å; K561-M565 PolarHBondContact O-N 2.71Å; V562-M565 HydrophobicContact CG2-CE 4.21Å; V562-M565 PolarHBondContact O-N 3.22Å; M565-R567 PolarHBondContact O-N 3.14Å
566	R	97.2	Very high	96.8	Very high	31 Å²	31	35.8 Å²	35.8	12%	0.117	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	7.4	173.8	-68.4	-178.9	-179.7	169.4	-1.4	113.9	E486 T488 G489 V562 A563 W564 L568 G621 C626	E486-R566 HydrophobicContact CG-CG 4.41Å; E486-R566 VanDerWaalsContact CG-NE 3.35Å; E486-R566 IonicContact OE1-NE 3.13Å; E486-R566 IonicContact OE2-CZ 3.23Å; E486-R566 IonicContact OE2-NE 2.79Å; E486-R566 PolarHBondContact OE2-NE 2.73Å; E486-R566 IonicContact OE2-NH2 2.75Å; E486-R566 PolarHBondContact OE2-NH2 2.78Å; T488-R566 CarbonylContact C-O 3.52Å; T488-R566 WeakPolarHBondContact CA-O 3.27Å; T488-R566 VanDerWaalsContact CB-O 3.29Å; T488-R566 WeakPolarHBondContact CB-O 3.1Å; T488-R566 HydrophobicContact CG2-CB 4.43Å; G489-R566 PolarHBondContact N-O 2.84Å; V562-R566 HydrophobicContact CG1-CG 4.47Å; V562-R566 WeakPolarHBondContact O-CB 3.45Å; V562-R566 WeakPolarHBondContact O-CG 3.26Å; V562-R566 PolarHBondContact O-N 3.28Å; A563-R566 CarbonylContact O-C 3.55Å; A563-R566 PolarHBondContact O-N 3.48Å; W564-R566 VanDerWaalsContact C-N 3.3Å; W564-R566 PolarHBondContact O-N 2.91Å; R566-L568 VanDerWaalsContact C-N 3.33Å; R566-L568 HydrophobicContact CB-CD1 3.75Å; R566-L568 HydrophobicContact CB-CG 3.99Å; R566-L568 PolarHBondContact O-N 3.42Å; R566-G621 PolarHBondContact NH1-O 3.3Å; R566-C626 PolarHBondContact NH1-SG 2.88Å; R566-C626 VanDerWaalsContact NH1-SG 3.35Å; R566-C626 PolarHBondContact NH2-SG 3.36Å; R566-C626 VanDerWaalsContact NH2-SG 3.38Å
567	R	97.9	Very high	95.7	Very high	83 Å²	83	42 Å²	42	31%	0.313	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	32.4	177.8	-59.6	179.3	71.7	-171.6	2.4	114.4	G489 T490 Q491 E528 A563 W564 M565	G489-R567 CarbonylContact C-O 3.47Å; G489-R567 VanDerWaalsContact C-O 3.23Å; G489-R567 WeakPolarHBondContact CA-O 3.47Å; G489-R567 WeakPolarHBondContact O-CB 3.46Å; T490-R567 PolarHBondContact N-O 3.48Å; T490-R567 PolarHBondContact O-NH2 2.98Å; Q491-R567 HydrophobicContact CB-CB 3.71Å; Q491-R567 HydrophobicContact CB-CG 4.43Å; Q491-R567 WeakPolarHBondContact CB-O 3.44Å; Q491-R567 PolarHBondContact N-O 2.85Å; Q491-R567 VanDerWaalsContact O-CZ 3.3Å; Q491-R567 PolarHBondContact O-NE 2.95Å; Q491-R567 PolarHBondContact O-NH2 2.94Å; E528-R567 IonicContact OE1-CZ 2.71Å; E528-R567 IonicContact OE1-NH1 2.71Å; E528-R567 PolarHBondContact OE1-NH1 3.26Å; E528-R567 IonicContact OE1-NH2 4Å; E528-R567 PolarHBondContact OE1-NH2 2.98Å; A563-R567 PolarHBondContact O-N 3.32Å; A563-R567 VanDerWaalsContact O-N 3.13Å; W564-R567 PolarHBondContact O-N 3.22Å; M565-R567 PolarHBondContact O-N 3.14Å
568	L	97.9	Very high	94.9	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	25%	0.254	C	S	.	.			trans	-100.8	-10.9	-171.7	-67.1	168.6	0	0	0	115.7	K487 A563 R566 N587 I589 Q620 V622	K487-L568 HydrophobicContact CG-CD2 4.36Å; A563-L568 HydrophobicContact CB-CB 4.21Å; A563-L568 WeakPolarHBondContact O-CB 3.44Å; A563-L568 PolarHBondContact O-N 2.99Å; R566-L568 VanDerWaalsContact C-N 3.33Å; R566-L568 HydrophobicContact CB-CD1 3.75Å; R566-L568 HydrophobicContact CB-CG 3.99Å; R566-L568 PolarHBondContact O-N 3.42Å; L568-N587 WeakPolarHBondContact O-CB 2.99Å; L568-N587 PolarHBondContact O-ND2 2.96Å; L568-I589 HydrophobicContact CB-CD1 4.37Å; L568-Q620 HydrophobicContact CD1-CB 4.24Å; L568-V622 HydrophobicContact CD1-CG2 3.67Å
569	I	98.6	Very high	94.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-76.3	-39.5	-174.7	-52.8	-63.3	0	0	0	112	Q491 Y518 L560 A563 W564 W586 N587 I589	Q491-I569 VanDerWaalsContact OE1-N 3.12Å; Y518-I569 HydrophobicContact CE1-CG1 4.46Å; Y518-I569 HydrophobicContact CE1-CG2 4.33Å; Y518-I569 HydrophobicContact CE2-CG2 4.22Å; L560-I569 HydrophobicContact CD2-CD1 3.74Å; A563-I569 HydrophobicContact CB-CD1 3.59Å; A563-I569 HydrophobicContact CB-CG1 4.4Å; W564-I569 HydrophobicContact CB-CG1 4.08Å; W564-I569 HydrophobicContact CE3-CB 4.4Å; W564-I569 HydrophobicContact CE3-CG1 4.22Å; I569-W586 HydrophobicContact CG2-CE3 4.02Å; I569-W586 HydrophobicContact CG2-CZ3 3.72Å; I569-N587 PolarHBondContact O-N 3.09Å; I569-I589 HydrophobicContact CD1-CD1 4.11Å
570	F	98.5	Very high	94.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	164	178.8	-52.8	-89.4	0	0	0	112.1	Q491 Y518 I520 F541 W564 V584 V585 W586	Q491-F570 WeakPolarHBondContact CA-O 3.41Å; Q491-F570 WeakPolarHBondContact CB-O 3.46Å; Q491-F570 HydrophobicContact CG-CB 4.12Å; Q491-F570 HydrophobicContact CG-CD2 4.35Å; Q491-F570 PolarHBondContact N-O 3.49Å; Y518-F570 AromaticContact CD1-CE2 3.89Å; Y518-F570 HydrophobicContact CD1-CE2 3.89Å; Y518-F570 HydrophobicContact CD1-CZ 4.5Å; Y518-F570 AromaticContact CD2-CE2 3.96Å; Y518-F570 HydrophobicContact CD2-CE2 3.96Å; Y518-F570 AromaticContact CD2-CZ 3.76Å; Y518-F570 HydrophobicContact CD2-CZ 3.76Å; Y518-F570 HydrophobicContact CE1-CE2 4.44Å; Y518-F570 HydrophobicContact CE2-CE2 4.49Å; Y518-F570 HydrophobicContact CE2-CZ 4.42Å; Y518-F570 AromaticContact CG-CE2 3.61Å; Y518-F570 HydrophobicContact CG-CE2 3.61Å; Y518-F570 AromaticContact CG-CZ 3.78Å; Y518-F570 HydrophobicContact CG-CZ 3.78Å; I520-F570 HydrophobicContact CD1-CB 4.06Å; I520-F570 HydrophobicContact CD1-CD2 3.48Å; I520-F570 VanDerWaalsContact CD1-CD2 3.48Å; I520-F570 HydrophobicContact CD1-CE2 4.06Å; I520-F570 HydrophobicContact CD1-CG 3.83Å; F541-F570 HydrophobicContact CE1-CE1 4.08Å; F541-F570 HydrophobicContact CE1-CE2 4.3Å; F541-F570 AromaticContact CE1-CZ 3.88Å; F541-F570 HydrophobicContact CE1-CZ 3.88Å; F541-F570 AromaticContact CZ-CD1 3.94Å; F541-F570 HydrophobicContact CZ-CD1 3.94Å; F541-F570 AromaticContact CZ-CE1 3.68Å; F541-F570 HydrophobicContact CZ-CE1 3.68Å; F541-F570 HydrophobicContact CZ-CE2 4.45Å; F541-F570 HydrophobicContact CZ-CG 4.44Å; F541-F570 AromaticContact CZ-CZ 3.95Å; F541-F570 HydrophobicContact CZ-CZ 3.95Å; W564-F570 HydrophobicContact CZ3-CD2 4.02Å; W564-F570 AromaticContact CZ3-CE2 3.93Å; W564-F570 HydrophobicContact CZ3-CE2 3.93Å; F570-V584 HydrophobicContact CB-CG1 3.81Å; F570-V584 HydrophobicContact CD1-CG1 4.09Å; F570-V584 HydrophobicContact CG-CG1 4.1Å; F570-V585 CarbonylContact C-O 3.23Å; F570-V585 WeakPolarHBondContact CA-O 3.3Å; F570-V585 WeakPolarHBondContact CB-O 3.39Å; F570-W586 HydrophobicContact CD1-CD2 4.23Å; F570-W586 AromaticContact CD1-CE3 3.89Å; F570-W586 HydrophobicContact CD1-CE3 3.89Å; F570-W586 HydrophobicContact CD1-CZ3 4.27Å; F570-W586 AromaticContact CE1-CD2 3.7Å; F570-W586 HydrophobicContact CE1-CD2 3.7Å; F570-W586 AromaticContact CE1-CE3 3.33Å; F570-W586 HydrophobicContact CE1-CE3 3.33Å; F570-W586 AromaticContact CE1-CH2 3.71Å; F570-W586 HydrophobicContact CE1-CH2 3.71Å; F570-W586 HydrophobicContact CE1-CZ2 4.06Å; F570-W586 AromaticContact CE1-CZ3 3.33Å; F570-W586 HydrophobicContact CE1-CZ3 3.33Å; F570-W586 HydrophobicContact CE2-CZ3 4.18Å; F570-W586 HydrophobicContact CZ-CD2 4.5Å; F570-W586 AromaticContact CZ-CE3 3.78Å; F570-W586 HydrophobicContact CZ-CE3 3.78Å; F570-W586 AromaticContact CZ-CH2 3.61Å; F570-W586 HydrophobicContact CZ-CH2 3.61Å; F570-W586 HydrophobicContact CZ-CZ2 4.36Å; F570-W586 AromaticContact CZ-CZ3 3.28Å; F570-W586 HydrophobicContact CZ-CZ3 3.28Å
571	T	97.8	Very high	93.9	Very high	29 Å²	29	52.5 Å²	52.5	18%	0.178	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	167.3	171.9	-176.4	0	0	0	0	109.6	T490 V584 V585 N587	T490-T571 PolarHBondContact OG1-OG1 3.39Å; T571-V584 WeakPolarHBondContact O-CA 3.48Å; T571-V585 HydrophobicContact CG2-CG2 3.58Å; T571-V585 PolarHBondContact N-O 2.84Å; T571-V585 PolarHBondContact O-N 2.93Å; T571-N587 HydrophobicContact CG2-CB 4.07Å
572	V	97.8	Very high	93.8	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.03	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	128	165.7	179.2	0	0	0	0	107.9	P492 Q525 F536 T583 V584	P492-V572 HydrophobicContact CG-CG2 3.55Å; Q525-V572 HydrophobicContact CG-CG1 4.27Å; F536-V572 HydrophobicContact CB-CG1 3.96Å; F536-V572 HydrophobicContact CB-CG2 4.3Å; F536-V572 HydrophobicContact CD1-CG2 4.26Å; F536-V572 HydrophobicContact CD2-CG2 4.41Å; F536-V572 HydrophobicContact CG-CG2 4.07Å; V572-T583 WeakPolarHBondContact CA-O 3.47Å; V572-V584 HydrophobicContact CG2-CG2 4.46Å
573	G	95.2	Very high	93.7	Very high	16 Å²	16	50.6 Å²	50.6	17%	0.165	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	-152.9	-179.4	0	0	0	0	0	112.1	D582 T583	G573-D582 PolarHBondContact O-N 2.92Å; G573-T583 PolarHBondContact N-O 2.9Å; G573-T583 PolarHBondContact O-N 2.61Å
574	T	93.8	Very high	93.7	Very high	94 Å²	94	50.6 Å²	50.6	58%	0.577	29%	0.291	S	S	*	.			trans	-96.4	128.1	-179.7	-51.2	0	0	0	0	111.2	S576 E580	T574-S576 PolarHBondContact O-N 3.3Å; T574-E580 CarbonylContact C-O 3.5Å; T574-E580 WeakPolarHBondContact CA-O 3.29Å
575	S	90.2	Very high	93.6	Very high	19 Å²	19	50 Å²	50	13%	0.133	29%	0.291	C	S	.	.			trans	-66.6	119.3	174.2	170.1	0	0	0	0	111.3	T577 T578 G579 E580	S575-T577 PolarHBondContact O-N 3.28Å; S575-T577 PolarHBondContact OG-N 3.16Å; S575-T578 WeakPolarHBondContact CB-OG1 3.3Å; S575-T578 PolarHBondContact OG-N 2.93Å; S575-T578 VanDerWaalsContact OG-N 3.12Å; S575-T578 PolarHBondContact OG-OG1 2.9Å; S575-G579 VanDerWaalsContact O-CA 3.32Å; S575-G579 WeakPolarHBondContact O-CA 3.31Å; S575-G579 PolarHBondContact O-N 2.69Å; S575-E580 PolarHBondContact N-O 2.93Å
576	S	83.8	Confident	93.6	Very high	127 Å²	127	47.4 Å²	47.4	89%	0.888	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-24	174.9	53.9	0	0	0	0	113.5	T574	T574-S576 PolarHBondContact O-N 3.3Å
577	T	76.9	Confident	93.6	Very high	130 Å²	130	48 Å²	48	80%	0.798	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-31.4	-179.4	-45.6	0	0	0	0	113.1	S575	S575-T577 PolarHBondContact O-N 3.28Å; S575-T577 PolarHBondContact OG-N 3.16Å
578	T	82.1	Confident	93.2	Very high	93 Å²	93	46 Å²	46	57%	0.571	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	-12.5	-172	60.7	0	0	0	0	114.8	S575 E580	S575-T578 WeakPolarHBondContact CB-OG1 3.3Å; S575-T578 PolarHBondContact OG-N 2.93Å; S575-T578 VanDerWaalsContact OG-N 3.12Å; S575-T578 PolarHBondContact OG-OG1 2.9Å; T578-E580 PolarHBondContact O-N 3.47Å; T578-E580 WeakPolarHBondContact OG1-CB 3.29Å; T578-E580 PolarHBondContact OG1-N 2.91Å
579	G	90.6	Very high	93.2	Very high	49 Å²	49	46 Å²	46	51%	0.505	29%	0.285	S	S	.	.			trans	70.2	1.4	-171.8	0	0	0	0	0	114.6	S575 H581	S575-G579 VanDerWaalsContact O-CA 3.32Å; S575-G579 WeakPolarHBondContact O-CA 3.31Å; S575-G579 PolarHBondContact O-N 2.69Å; G579-H581 PolarHBondContact O-N 2.86Å
580	E	89.5	Confident	93.1	Very high	43 Å²	43	50.8 Å²	50.8	20%	0.201	31%	0.307	C	S	.	.			trans	-64.6	117.9	177.5	-173.3	175.4	-175.5	0	0	109.6	T537 R539 T574 S575 T578 T583	T537-E580 WeakPolarHBondContact CB-OE1 3.43Å; T537-E580 WeakPolarHBondContact CG2-OE1 3.48Å; T537-E580 PolarHBondContact OG1-OE1 2.9Å; R539-E580 WeakPolarHBondContact CG-OE2 3.47Å; R539-E580 IonicContact CZ-OE1 3.2Å; R539-E580 VanDerWaalsContact CZ-OE1 3.29Å; R539-E580 IonicContact CZ-OE2 2.65Å; R539-E580 VanDerWaalsContact NE-CD 3.34Å; R539-E580 IonicContact NE-OE1 2.69Å; R539-E580 PolarHBondContact NE-OE1 2.8Å; R539-E580 IonicContact NE-OE2 2.73Å; R539-E580 PolarHBondContact NE-OE2 3.2Å; R539-E580 IonicContact NH2-OE1 2.75Å; R539-E580 PolarHBondContact NH2-OE1 3.26Å; R539-E580 IonicContact NH2-OE2 2.73Å; T574-E580 CarbonylContact C-O 3.5Å; T574-E580 WeakPolarHBondContact CA-O 3.29Å; S575-E580 PolarHBondContact N-O 2.93Å; T578-E580 PolarHBondContact O-N 3.47Å; T578-E580 WeakPolarHBondContact OG1-CB 3.29Å; T578-E580 PolarHBondContact OG1-N 2.91Å; E580-T583 HydrophobicContact CB-CG2 4.29Å; E580-T583 HydrophobicContact CG-CG2 4.32Å; E580-T583 VanDerWaalsContact O-CG2 3.31Å; E580-T583 WeakPolarHBondContact O-CG2 3.5Å
581	H	94	Very high	93.1	Very high	128 Å²	128	51.1 Å²	51.1	59%	0.593	31%	0.309	S	S	*	.	S	Bend	trans	-77.9	167.3	170.9	41.2	-91.5	0	0	0	110.7	G579 T583	G579-H581 PolarHBondContact O-N 2.86Å; H581-T583 PolarHBondContact O-N 2.78Å
582	D	95.8	Very high	93.1	Very high	34 Å²	34	50.1 Å²	50.1	18%	0.182	30%	0.302	C	S	.	.	S	Bend	trans	52.1	42.8	176.6	-57.9	-65	0	0	0	112.8	Q525 N531 F536 T537 G573	Q525-D582 PolarHBondContact NE2-OD1 2.86Å; N531-D582 PolarHBondContact ND2-OD1 2.9Å; F536-D582 CarbonylContact C-O 3.56Å; F536-D582 WeakPolarHBondContact CA-O 3.45Å; F536-D582 VanDerWaalsContact CB-O 3.28Å; F536-D582 WeakPolarHBondContact CB-O 3.35Å; T537-D582 PolarHBondContact N-O 3.45Å; G573-D582 PolarHBondContact O-N 2.92Å
583	T	96.9	Very high	92.8	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	157.5	-178.3	-158.8	0	0	0	0	112.5	T537 V572 G573 E580 H581 V585	T537-T583 WeakPolarHBondContact O-CA 3.36Å; T537-T583 PolarHBondContact O-OG1 2.84Å; T537-T583 VanDerWaalsContact OG1-CB 3.26Å; T537-T583 WeakPolarHBondContact OG1-CB 3.33Å; T537-T583 PolarHBondContact OG1-OG1 3.45Å; V572-T583 WeakPolarHBondContact CA-O 3.47Å; G573-T583 PolarHBondContact N-O 2.9Å; G573-T583 PolarHBondContact O-N 2.61Å; E580-T583 HydrophobicContact CB-CG2 4.29Å; E580-T583 HydrophobicContact CG-CG2 4.32Å; E580-T583 VanDerWaalsContact O-CG2 3.31Å; E580-T583 WeakPolarHBondContact O-CG2 3.5Å; H581-T583 PolarHBondContact O-N 2.78Å; T583-V585 HydrophobicContact CG2-CG1 3.82Å; T583-V585 PolarHBondContact O-N 2.81Å
584	V	97.6	Very high	92.3	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	114.1	-179.5	178.5	0	0	0	0	111.4	P492 I520 F536 T537 C538 F541 R543 F570 T571 V572	P492-V584 HydrophobicContact CG-CG2 3.98Å; I520-V584 HydrophobicContact CD1-CG1 3.93Å; I520-V584 HydrophobicContact CG2-CG1 4.48Å; I520-V584 HydrophobicContact CG2-CG2 4.19Å; F536-V584 HydrophobicContact CD2-CG2 3.64Å; F536-V584 HydrophobicContact CE2-CG2 3.82Å; T537-V584 PolarHBondContact O-N 3.13Å; C538-V584 WeakPolarHBondContact SG-CG2 3.46Å; F541-V584 HydrophobicContact CE2-CB 3.97Å; F541-V584 HydrophobicContact CE2-CG1 3.65Å; F541-V584 HydrophobicContact CZ-CB 4.49Å; F541-V584 HydrophobicContact CZ-CG1 3.67Å; R543-V584 PolarHBondContact NH2-O 3.21Å; F570-V584 HydrophobicContact CB-CG1 3.81Å; F570-V584 HydrophobicContact CD1-CG1 4.09Å; F570-V584 HydrophobicContact CG-CG1 4.1Å; T571-V584 WeakPolarHBondContact O-CA 3.48Å; V572-V584 HydrophobicContact CG2-CG2 4.46Å
585	V	97	Very high	91.8	Very high	26 Å²	26	50.9 Å²	50.9	16%	0.158	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	160	-176.1	-59.8	0	0	0	0	111.6	F570 T571 T583	F570-V585 CarbonylContact C-O 3.23Å; F570-V585 WeakPolarHBondContact CA-O 3.3Å; F570-V585 WeakPolarHBondContact CB-O 3.39Å; T571-V585 HydrophobicContact CG2-CG2 3.58Å; T571-V585 PolarHBondContact N-O 2.84Å; T571-V585 PolarHBondContact O-N 2.93Å; T583-V585 HydrophobicContact CG2-CG1 3.82Å; T583-V585 PolarHBondContact O-N 2.81Å
586	W	97.2	Very high	91.4	Very high	85 Å²	85	54.8 Å²	54.8	32%	0.322	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	143.6	172.8	-65	111.5	0	0	0	110.7	Y518 R543 I569 F570 H591 T593	Y518-W586 HydrophobicContact CD2-CH2 4.1Å; Y518-W586 HydrophobicContact CD2-CZ3 4.31Å; Y518-W586 HydrophobicContact CE2-CH2 4.24Å; Y518-W586 HydrophobicContact CE2-CZ3 4.19Å; R543-W586 HydrophobicContact CB-CZ2 4.38Å; I569-W586 HydrophobicContact CG2-CE3 4.02Å; I569-W586 HydrophobicContact CG2-CZ3 3.72Å; F570-W586 HydrophobicContact CD1-CD2 4.23Å; F570-W586 AromaticContact CD1-CE3 3.89Å; F570-W586 HydrophobicContact CD1-CE3 3.89Å; F570-W586 HydrophobicContact CD1-CZ3 4.27Å; F570-W586 AromaticContact CE1-CD2 3.7Å; F570-W586 HydrophobicContact CE1-CD2 3.7Å; F570-W586 AromaticContact CE1-CE3 3.33Å; F570-W586 HydrophobicContact CE1-CE3 3.33Å; F570-W586 AromaticContact CE1-CH2 3.71Å; F570-W586 HydrophobicContact CE1-CH2 3.71Å; F570-W586 HydrophobicContact CE1-CZ2 4.06Å; F570-W586 AromaticContact CE1-CZ3 3.33Å; F570-W586 HydrophobicContact CE1-CZ3 3.33Å; F570-W586 HydrophobicContact CE2-CZ3 4.18Å; F570-W586 HydrophobicContact CZ-CD2 4.5Å; F570-W586 AromaticContact CZ-CE3 3.78Å; F570-W586 HydrophobicContact CZ-CE3 3.78Å; F570-W586 AromaticContact CZ-CH2 3.61Å; F570-W586 HydrophobicContact CZ-CH2 3.61Å; F570-W586 HydrophobicContact CZ-CZ2 4.36Å; F570-W586 AromaticContact CZ-CZ3 3.28Å; F570-W586 HydrophobicContact CZ-CZ3 3.28Å; W586-H591 AromaticContact CE3-ND1 3.88Å; W586-H591 HydrophobicContact CH2-CB 3.82Å; W586-H591 AromaticContact CH2-CG 3.8Å; W586-H591 HydrophobicContact CZ2-CB 4.27Å; W586-H591 HydrophobicContact CZ3-CB 4.07Å; W586-H591 AromaticContact CZ3-CE1 3.87Å; W586-H591 AromaticContact CZ3-CG 3.62Å; W586-H591 AromaticContact CZ3-ND1 3.43Å; W586-H591 WeakPolarHBondContact CZ3-ND1 3.29Å; W586-T593 HydrophobicContact CZ2-CG2 4.12Å
587	N	95.9	Very high	91.3	Very high	42 Å²	42	51 Å²	51	23%	0.225	29%	0.29	C	S	.	.			trans	-111.9	54.4	-174.3	-176.2	57.2	0	0	0	112.5	L568 I569 T571 I589	L568-N587 WeakPolarHBondContact O-CB 2.99Å; L568-N587 PolarHBondContact O-ND2 2.96Å; I569-N587 PolarHBondContact O-N 3.09Å; T571-N587 HydrophobicContact CG2-CB 4.07Å; N587-I589 VanDerWaalsContact C-N 3.31Å; N587-I589 PolarHBondContact O-N 3.21Å
588	G	90.8	Very high	91.6	Very high	43 Å²	43	47 Å²	47	44%	0.443	26%	0.264	S	S	.	.	S	Bend	trans	71.2	16.4	172.3	0	0	0	0	0	116.4
589	I	97.3	Very high	91.3	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	28%	0.275	C	S	.	.			trans	-118.2	104.6	167.8	-58.6	166.4	0	0	0	107	L560 A563 L568 I569 N587 H591 V613 L617 Q620	L560-I589 HydrophobicContact CD2-CG2 3.83Å; A563-I589 HydrophobicContact CB-CD1 4.04Å; L568-I589 HydrophobicContact CB-CD1 4.37Å; I569-I589 HydrophobicContact CD1-CD1 4.11Å; N587-I589 VanDerWaalsContact C-N 3.31Å; N587-I589 PolarHBondContact O-N 3.21Å; I589-H591 PolarHBondContact O-ND1 3.02Å; I589-V613 HydrophobicContact CG2-CG2 3.82Å; I589-L617 HydrophobicContact CD1-CD2 3.93Å; I589-L617 HydrophobicContact CG2-CD2 4.32Å; I589-L617 HydrophobicContact CG2-CG 4.21Å; I589-Q620 HydrophobicContact CD1-CG 4.21Å; I589-Q620 HydrophobicContact CG1-CG 4.15Å
590	H	96.4	Very high	90.6	Very high	100 Å²	100	51 Å²	51	46%	0.463	27%	0.272	S	S	.	.			trans	-71.1	141.3	-174.8	-69.7	100.3	0	0	0	111.5	Y609 V613 E616	H590-Y609 PolarHBondContact O-OH 2.85Å; H590-V613 WeakPolarHBondContact O-CG2 3.3Å; H590-E616 WeakPolarHBondContact CB-OE2 3.44Å; H590-E616 IonicContact CE1-OE1 2.73Å; H590-E616 IonicContact CG-OE1 3.35Å; H590-E616 IonicContact CG-OE2 3.19Å; H590-E616 PolarHBondContact N-OE2 2.74Å; H590-E616 VanDerWaalsContact ND1-CD 3.31Å; H590-E616 IonicContact ND1-OE1 2.78Å; H590-E616 PolarHBondContact ND1-OE1 3.03Å; H590-E616 IonicContact ND1-OE2 2.72Å; H590-E616 PolarHBondContact ND1-OE2 3.43Å
591	H	98.1	Very high	90.5	Very high	7 Å²	7	51 Å²	51	3%	0.032	28%	0.283	C	S	.	.			trans	-124.5	143.7	177.1	-74.4	66.8	0	0	0	109.3	Y518 C545 W586 I589 T593	Y518-H591 AromaticContact CE2-CD2 3.62Å; Y518-H591 AromaticContact CE2-NE2 3.46Å; Y518-H591 WeakPolarHBondContact CE2-NE2 3.39Å; Y518-H591 AromaticContact CZ-NE2 3.57Å; Y518-H591 PolarHBondContact OH-NE2 3.24Å; C545-H591 HydrophobicContact CB-CB 4.11Å; W586-H591 AromaticContact CE3-ND1 3.88Å; W586-H591 HydrophobicContact CH2-CB 3.82Å; W586-H591 AromaticContact CH2-CG 3.8Å; W586-H591 HydrophobicContact CZ2-CB 4.27Å; W586-H591 HydrophobicContact CZ3-CB 4.07Å; W586-H591 AromaticContact CZ3-CE1 3.87Å; W586-H591 AromaticContact CZ3-CG 3.62Å; W586-H591 AromaticContact CZ3-ND1 3.43Å; W586-H591 WeakPolarHBondContact CZ3-ND1 3.29Å; I589-H591 PolarHBondContact O-ND1 3.02Å; H591-T593 PolarHBondContact O-N 3.34Å
592	K	97.1	Very high	90.2	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.035	28%	0.275	C	S	.	.			trans	-85	110.3	171.7	-65.1	-63	-169.5	162.2	0	109.8	C545 F546 G601 H602 G603 Y604 D606 Y609	C545-K592 CarbonylContact C-O 3.52Å; C545-K592 VanDerWaalsContact CA-O 3.22Å; C545-K592 WeakPolarHBondContact CA-O 3.29Å; F546-K592 PolarHBondContact N-O 3.33Å; K592-G601 PolarHBondContact NZ-O 3.06Å; K592-G601 VanDerWaalsContact NZ-O 3.09Å; K592-H602 CarbonylContact C-O 3.6Å; K592-H602 VanDerWaalsContact CA-O 3.25Å; K592-H602 WeakPolarHBondContact CA-O 3.3Å; K592-H602 VanDerWaalsContact CD-C 3.48Å; K592-G603 WeakPolarHBondContact CD-O 3.27Å; K592-G603 VanDerWaalsContact CE-O 3.29Å; K592-G603 WeakPolarHBondContact CE-O 3.33Å; K592-G603 PolarHBondContact NZ-O 2.83Å; K592-Y604 HydrophobicContact CB-CD2 4Å; K592-Y604 HydrophobicContact CB-CE2 3.3Å; K592-Y604 HydrophobicContact CG-CD2 4.3Å; K592-Y604 HydrophobicContact CG-CE2 3.65Å; K592-D606 VanDerWaalsContact CE-OD2 3.26Å; K592-D606 WeakPolarHBondContact CE-OD2 3.23Å; K592-D606 IonicContact NZ-OD2 3.18Å; K592-D606 PolarHBondContact NZ-OD2 3.38Å; K592-Y609 HydrophobicContact CB-CE1 4.36Å; K592-Y609 HydrophobicContact CD-CD2 4.12Å; K592-Y609 HydrophobicContact CD-CE2 4.39Å; K592-Y609 HydrophobicContact CD-CG 4.21Å; K592-Y609 HydrophobicContact CG-CD1 3.61Å; K592-Y609 HydrophobicContact CG-CD2 3.78Å; K592-Y609 HydrophobicContact CG-CE1 3.59Å; K592-Y609 HydrophobicContact CG-CE2 3.76Å; K592-Y609 HydrophobicContact CG-CG 3.7Å
593	T	91.6	Very high	90	Very high	58 Å²	58	47.6 Å²	47.6	36%	0.356	27%	0.266	S	S	.	.			trans	-100.7	-11.3	-175.5	53.7	0	0	0	0	113.6	F544 W586 H591 H602	F544-T593 WeakPolarHBondContact O-CA 3.47Å; W586-T593 HydrophobicContact CZ2-CG2 4.12Å; H591-T593 PolarHBondContact O-N 3.34Å; T593-H602 PolarHBondContact N-O 3.19Å
594	E	85.8	Confident	89.7	Confident	41 Å²	41	47.6 Å²	47.6	19%	0.192	27%	0.266	C	S	.	.			trans	-102.1	127.9	167.2	-75.6	175.1	-144.5	0	0	110.2	S597 N598 M599 S600 H602 G603	E594-S597 VanDerWaalsContact CB-O 3.31Å; E594-S597 WeakPolarHBondContact CB-O 3.27Å; E594-S597 VanDerWaalsContact OE2-C 3.23Å; E594-S597 WeakPolarHBondContact OE2-CB 3.35Å; E594-S597 PolarHBondContact OE2-OG 2.97Å; E594-N598 PolarHBondContact OE2-N 3.06Å; E594-M599 PolarHBondContact OE2-N 3.38Å; E594-S600 WeakPolarHBondContact OE1-CB 3.44Å; E594-S600 PolarHBondContact OE1-N 3.46Å; E594-S600 VanDerWaalsContact OE1-N 3.09Å; E594-S600 PolarHBondContact OE1-OG 2.87Å; E594-H602 PolarHBondContact N-O 3.02Å; E594-H602 VanDerWaalsContact N-O 3.11Å; E594-G603 WeakPolarHBondContact O-CA 3.47Å
595	M	83.9	Confident	89.5	Confident	32 Å²	32	51.2 Å²	51.2	16%	0.158	29%	0.289	C	S	.	.	S	Bend	trans	-83.3	-44.5	-177.8	-171	-178.9	173.3	0	0	113.1	V501 Q503 L505 P506 T513 F546	V501-M595 HydrophobicContact CG1-CE 4.14Å; Q503-M595 HydrophobicContact CB-CE 3.9Å; Q503-M595 HydrophobicContact CG-CE 3.92Å; L505-M595 HydrophobicContact CD2-CB 4.49Å; L505-M595 HydrophobicContact CD2-CE 4.38Å; L505-M595 HydrophobicContact CD2-CG 3.55Å; L505-M595 WeakPolarHBondContact CD2-O 3.33Å; P506-M595 VanDerWaalsContact CD-O 3.22Å; P506-M595 WeakPolarHBondContact CD-O 3.2Å; T513-M595 HydrophobicContact CG2-CE 4.17Å; F546-M595 HydrophobicContact CD1-CB 4Å; F546-M595 HydrophobicContact CD1-CG 3.81Å; F546-M595 HydrophobicContact CD1-SD 4.04Å; F546-M595 HydrophobicContact CD2-CB 3.85Å; F546-M595 HydrophobicContact CD2-CG 4.47Å; F546-M595 HydrophobicContact CE1-CB 3.91Å; F546-M595 HydrophobicContact CE1-CG 3.97Å; F546-M595 HydrophobicContact CE1-SD 3.8Å; F546-M595 HydrophobicContact CE2-CB 3.8Å; F546-M595 HydrophobicContact CG-CB 3.96Å; F546-M595 HydrophobicContact CG-CG 4.07Å; F546-M595 HydrophobicContact CZ-CB 3.82Å; F546-M595 HydrophobicContact CZ-CG 4.4Å; F546-M595 HydrophobicContact CZ-SD 4.46Å
596	M	81.8	Confident	89.5	Confident	100 Å²	100	51.8 Å²	51.8	49%	0.493	29%	0.292	S	S	.	.	S	Bend	trans	-116.4	3.3	-167.3	-60.6	-53.9	-58.1	0	0	114.2	Q503 P506	Q503-M596 HydrophobicContact CG-SD 4.38Å; Q503-M596 PolarHBondContact NE2-SD 2.84Å; Q503-M596 VanDerWaalsContact NE2-SD 3.37Å; P506-M596 HydrophobicContact CG-CE 4.12Å
597	S	79.8	Confident	89.3	Confident	48 Å²	48	53 Å²	53	34%	0.336	31%	0.311	S	S	.	.			trans	-141	166.5	179.7	55.3	0	0	0	0	109.5	E594 G603 Y604	E594-S597 VanDerWaalsContact CB-O 3.31Å; E594-S597 WeakPolarHBondContact CB-O 3.27Å; E594-S597 VanDerWaalsContact OE2-C 3.23Å; E594-S597 WeakPolarHBondContact OE2-CB 3.35Å; E594-S597 PolarHBondContact OE2-OG 2.97Å; S597-G603 CarbonylContact O-C 3.53Å; S597-G603 WeakPolarHBondContact O-CA 3.33Å; S597-Y604 CarbonylContact C-O 3.58Å; S597-Y604 PolarHBondContact O-N 2.71Å
598	N	84.8	Confident	89.3	Confident	47 Å²	47	55.8 Å²	55.8	25%	0.251	33%	0.325	S	S	.	.			trans	-133.1	39.8	170.9	-164.1	10.8	0	0	0	110.3	E594 G601 H602 G603 Y604 P605	E594-N598 PolarHBondContact OE2-N 3.06Å; N598-G601 PolarHBondContact O-N 3.3Å; N598-G601 WeakPolarHBondContact OD1-CA 3.48Å; N598-G601 PolarHBondContact OD1-O 2.79Å; N598-G601 VanDerWaalsContact OD1-O 3.09Å; N598-H602 PolarHBondContact OD1-N 2.98Å; N598-G603 VanDerWaalsContact CG-C 3.44Å; N598-G603 PolarHBondContact ND2-O 2.84Å; N598-G603 WeakPolarHBondContact OD1-CA 3.31Å; N598-G603 PolarHBondContact OD1-N 3.09Å; N598-G603 PolarHBondContact OD1-O 2.94Å; N598-Y604 PolarHBondContact N-O 2.69Å; N598-P605 PolarHBondContact ND2-O 3.28Å
599	M	74.4	Confident	89.7	Confident	164 Å²	164	54.1 Å²	54.1	81%	0.808	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-30.8	-169.9	-67.3	-65.7	96	0	0	112.4	E594 G601	E594-M599 PolarHBondContact OE2-N 3.38Å; M599-G601 VanDerWaalsContact C-N 3.34Å
600	S	77.4	Confident	89.7	Confident	62 Å²	62	54.6 Å²	54.6	43%	0.434	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-5.1	168.5	62.4	0	0	0	0	114.6	E594 H602	E594-S600 WeakPolarHBondContact OE1-CB 3.44Å; E594-S600 PolarHBondContact OE1-N 3.46Å; E594-S600 VanDerWaalsContact OE1-N 3.09Å; E594-S600 PolarHBondContact OE1-OG 2.87Å; S600-H602 PolarHBondContact O-CD2 2.85Å; S600-H602 PolarHBondContact O-N 2.83Å; S600-H602 PolarHBondContact OG-N 2.87Å
601	G	85.8	Confident	89.8	Confident	43 Å²	43	53.6 Å²	53.6	44%	0.443	31%	0.306	S	S	.	.	S	Bend	trans	80.5	-10.4	-166.2	0	0	0	0	0	114.4	K592 N598 M599 G603	K592-G601 PolarHBondContact NZ-O 3.06Å; K592-G601 VanDerWaalsContact NZ-O 3.09Å; N598-G601 PolarHBondContact O-N 3.3Å; N598-G601 WeakPolarHBondContact OD1-CA 3.48Å; N598-G601 PolarHBondContact OD1-O 2.79Å; N598-G601 VanDerWaalsContact OD1-O 3.09Å; M599-G601 VanDerWaalsContact C-N 3.34Å; G601-G603 PolarHBondContact O-N 3.48Å
602	H	89.4	Confident	89.8	Confident	90 Å²	90	57.3 Å²	57.3	42%	0.417	33%	0.326	S	S	.	.	S	Bend	trans	-98.5	33.4	179.8	-56	-69.6	0	0	0	113.2	K592 T593 E594 N598 S600	K592-H602 CarbonylContact C-O 3.6Å; K592-H602 VanDerWaalsContact CA-O 3.25Å; K592-H602 WeakPolarHBondContact CA-O 3.3Å; K592-H602 VanDerWaalsContact CD-C 3.48Å; T593-H602 PolarHBondContact N-O 3.19Å; E594-H602 PolarHBondContact N-O 3.02Å; E594-H602 VanDerWaalsContact N-O 3.11Å; N598-H602 PolarHBondContact OD1-N 2.98Å; S600-H602 PolarHBondContact O-CD2 2.85Å; S600-H602 PolarHBondContact O-N 2.83Å; S600-H602 PolarHBondContact OG-N 2.87Å
603	G	90.3	Very high	89.8	Confident	0 Å²	0	57 Å²	57	0%	0	33%	0.325	C	S	.	.	S	Bend	trans	-143.1	-156.9	179.4	0	0	0	0	0	115.8	K592 E594 S597 N598 G601	K592-G603 WeakPolarHBondContact CD-O 3.27Å; K592-G603 VanDerWaalsContact CE-O 3.29Å; K592-G603 WeakPolarHBondContact CE-O 3.33Å; K592-G603 PolarHBondContact NZ-O 2.83Å; E594-G603 WeakPolarHBondContact O-CA 3.47Å; S597-G603 CarbonylContact O-C 3.53Å; S597-G603 WeakPolarHBondContact O-CA 3.33Å; N598-G603 VanDerWaalsContact CG-C 3.44Å; N598-G603 PolarHBondContact ND2-O 2.84Å; N598-G603 WeakPolarHBondContact OD1-CA 3.31Å; N598-G603 PolarHBondContact OD1-N 3.09Å; N598-G603 PolarHBondContact OD1-O 2.94Å; G601-G603 PolarHBondContact O-N 3.48Å
604	Y	90.5	Very high	90.1	Very high	1 Å²	1	55.8 Å²	55.8	0%	0.004	32%	0.316	C	S	.	.	S	Bend	trans	-119.8	148.4	-173	-71.1	-88.1	0	0	0	112.1	L505 F546 K592 S597 N598 Y609	L505-Y604 HydrophobicContact CB-CD1 4.43Å; L505-Y604 HydrophobicContact CB-CG 4.3Å; L505-Y604 HydrophobicContact CD1-CD1 4.18Å; L505-Y604 HydrophobicContact CD1-CD2 3.91Å; L505-Y604 HydrophobicContact CD1-CE1 3.87Å; L505-Y604 HydrophobicContact CD1-CE2 3.56Å; L505-Y604 HydrophobicContact CD1-CG 4.2Å; L505-Y604 HydrophobicContact CD2-CD2 4.13Å; L505-Y604 HydrophobicContact CD2-CE2 4.38Å; L505-Y604 HydrophobicContact CG-CD2 4.45Å; F546-Y604 HydrophobicContact CB-CE2 4.16Å; F546-Y604 WeakPolarHBondContact O-CE2 3.41Å; F546-Y604 PolarHBondContact O-OH 3.06Å; K592-Y604 HydrophobicContact CB-CD2 4Å; K592-Y604 HydrophobicContact CB-CE2 3.3Å; K592-Y604 HydrophobicContact CG-CD2 4.3Å; K592-Y604 HydrophobicContact CG-CE2 3.65Å; S597-Y604 CarbonylContact C-O 3.58Å; S597-Y604 PolarHBondContact O-N 2.71Å; N598-Y604 PolarHBondContact N-O 2.69Å; Y604-Y609 HydrophobicContact CE1-CD1 4.22Å; Y604-Y609 AromaticContact CZ-CD1 3.97Å; Y604-Y609 WeakPolarHBondContact OH-CD1 3.44Å; Y604-Y609 VanDerWaalsContact OH-CE1 3.27Å; Y604-Y609 WeakPolarHBondContact OH-CE1 3.45Å
605	P	94.6	Very high	90.6	Very high	78 Å²	78	57.7 Å²	57.7	51%	0.506	33%	0.334	S	S	.	.			cis	-77.8	146	5.6	31.8	-34.8	0	0	0	112.9	P506 N598	P506-P605 HydrophobicContact CB-CB 4.28Å; P506-P605 HydrophobicContact CB-CG 4.47Å; P506-P605 WeakPolarHBondContact O-CA 3.31Å; P506-P605 WeakPolarHBondContact O-CB 3.43Å; N598-P605 PolarHBondContact ND2-O 3.28Å
606	D	96	Very high	91.3	Very high	38 Å²	38	58.2 Å²	58.2	20%	0.203	34%	0.336	C	S	.	.			trans	-149	103.2	168.6	-176.8	-19.4	0	0	0	108.5	K592 N608 Y609	K592-D606 VanDerWaalsContact CE-OD2 3.26Å; K592-D606 WeakPolarHBondContact CE-OD2 3.23Å; K592-D606 IonicContact NZ-OD2 3.18Å; K592-D606 PolarHBondContact NZ-OD2 3.38Å; D606-N608 PolarHBondContact O-N 3.33Å; D606-N608 PolarHBondContact OD1-N 2.98Å; D606-Y609 PolarHBondContact OD1-N 2.89Å; D606-Y609 VanDerWaalsContact OD1-N 3.1Å
607	P	94.1	Very high	92	Very high	111 Å²	111	53.4 Å²	53.4	72%	0.721	31%	0.313	S	S	*	.	S	Bend	trans	-71	-19.6	-175.2	29.6	-35.4	0	0	0	113.4
608	N	96	Very high	92.7	Very high	99 Å²	99	53.3 Å²	53.3	53%	0.529	32%	0.315	S	S	.	.	S	Bend	trans	-97.2	-16	-174.6	-61	-32.7	0	0	0	112.5	D606 L610 D611 N612	D606-N608 PolarHBondContact O-N 3.33Å; D606-N608 PolarHBondContact OD1-N 2.98Å; N608-L610 VanDerWaalsContact C-N 3.34Å; N608-L610 PolarHBondContact O-N 2.94Å; N608-D611 PolarHBondContact O-N 3.29Å; N608-D611 VanDerWaalsContact O-N 3.1Å; N608-N612 VanDerWaalsContact O-CG 3.31Å; N608-N612 PolarHBondContact O-N 3.17Å
609	Y	98.2	Very high	93	Very high	8 Å²	8	54 Å²	54	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-51.8	-45.9	-172.3	167.9	-114.6	0	0	0	114	L547 H590 K592 Y604 D606 D611 N612 V613	L547-Y609 HydrophobicContact CD2-CE1 3.65Å; H590-Y609 PolarHBondContact O-OH 2.85Å; K592-Y609 HydrophobicContact CB-CE1 4.36Å; K592-Y609 HydrophobicContact CD-CD2 4.12Å; K592-Y609 HydrophobicContact CD-CE2 4.39Å; K592-Y609 HydrophobicContact CD-CG 4.21Å; K592-Y609 HydrophobicContact CG-CD1 3.61Å; K592-Y609 HydrophobicContact CG-CD2 3.78Å; K592-Y609 HydrophobicContact CG-CE1 3.59Å; K592-Y609 HydrophobicContact CG-CE2 3.76Å; K592-Y609 HydrophobicContact CG-CG 3.7Å; Y604-Y609 HydrophobicContact CE1-CD1 4.22Å; Y604-Y609 AromaticContact CZ-CD1 3.97Å; Y604-Y609 WeakPolarHBondContact OH-CD1 3.44Å; Y604-Y609 VanDerWaalsContact OH-CE1 3.27Å; Y604-Y609 WeakPolarHBondContact OH-CE1 3.45Å; D606-Y609 PolarHBondContact OD1-N 2.89Å; D606-Y609 VanDerWaalsContact OD1-N 3.1Å; Y609-D611 VanDerWaalsContact C-N 3.31Å; Y609-D611 PolarHBondContact O-N 3.05Å; Y609-N612 PolarHBondContact O-N 2.91Å; Y609-V613 HydrophobicContact CD2-CB 4.48Å; Y609-V613 HydrophobicContact CE2-CB 3.93Å; Y609-V613 HydrophobicContact CE2-CG1 4.27Å; Y609-V613 HydrophobicContact CE2-CG2 4.36Å; Y609-V613 WeakPolarHBondContact O-CG1 3.49Å; Y609-V613 PolarHBondContact O-N 3.41Å
610	L	98.3	Very high	93.9	Very high	11 Å²	11	47.2 Å²	47.2	6%	0.058	29%	0.289	C	S	.	.	H	α-helix	trans	-66.4	-32.2	-177.2	-65.6	179.7	0	0	0	112.9	L547 P548 K552 V556 N608 L614	L547-L610 HydrophobicContact CD2-CD2 4.4Å; P548-L610 HydrophobicContact CG-CD1 3.83Å; P548-L610 HydrophobicContact CG-CD2 4.49Å; K552-L610 HydrophobicContact CB-CD1 4.03Å; K552-L610 HydrophobicContact CD-CB 3.5Å; K552-L610 VanDerWaalsContact CD-CB 3.5Å; K552-L610 HydrophobicContact CD-CD1 3.93Å; K552-L610 HydrophobicContact CD-CG 4.38Å; K552-L610 HydrophobicContact CG-CB 4.02Å; K552-L610 HydrophobicContact CG-CD1 4.03Å; V556-L610 HydrophobicContact CG2-CD2 4.16Å; N608-L610 VanDerWaalsContact C-N 3.34Å; N608-L610 PolarHBondContact O-N 2.94Å; L610-L614 WeakPolarHBondContact O-CB 3.47Å; L610-L614 WeakPolarHBondContact O-CD1 3.34Å; L610-L614 WeakPolarHBondContact O-CG 3.3Å; L610-L614 PolarHBondContact O-N 2.9Å
611	D	97.8	Very high	94.7	Very high	80 Å²	80	45.2 Å²	45.2	43%	0.428	28%	0.278	S	S	.	.	H	α-helix	trans	-79.8	-35.8	176.5	-65.9	-58.7	0	0	0	111.4	K552 N608 Y609 L614 S615	K552-D611 IonicContact NZ-OD1 3.59Å; K552-D611 PolarHBondContact NZ-OD1 3.14Å; K552-D611 IonicContact NZ-OD2 3.65Å; K552-D611 PolarHBondContact NZ-OD2 2.95Å; N608-D611 PolarHBondContact O-N 3.29Å; N608-D611 VanDerWaalsContact O-N 3.1Å; Y609-D611 VanDerWaalsContact C-N 3.31Å; Y609-D611 PolarHBondContact O-N 3.05Å; D611-L614 PolarHBondContact O-N 3.3Å; D611-S615 PolarHBondContact O-N 3.22Å
612	N	97.9	Very high	95.2	Very high	85 Å²	85	43.2 Å²	43.2	46%	0.455	26%	0.257	S	S	.	.	H	α-helix	trans	-61.6	-50	173.1	-67.7	-15.4	0	0	0	111.7	N608 Y609 L614 S615 E616	N608-N612 VanDerWaalsContact O-CG 3.31Å; N608-N612 PolarHBondContact O-N 3.17Å; Y609-N612 PolarHBondContact O-N 2.91Å; N612-L614 VanDerWaalsContact C-N 3.32Å; N612-L614 PolarHBondContact O-N 3.43Å; N612-S615 WeakPolarHBondContact O-CB 3.34Å; N612-S615 PolarHBondContact O-N 3.05Å; N612-S615 VanDerWaalsContact O-N 3.09Å; N612-E616 WeakPolarHBondContact O-CG 3.13Å; N612-E616 PolarHBondContact O-N 2.83Å
613	V	98.2	Very high	95.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-68.1	-30.2	-179.1	74.2	0	0	0	0	112.4	V556 I589 H590 Y609 E616 L617	V556-V613 HydrophobicContact CB-CG1 4.48Å; V556-V613 HydrophobicContact CG1-CG1 3.7Å; V556-V613 HydrophobicContact CG2-CG1 3.85Å; I589-V613 HydrophobicContact CG2-CG2 3.82Å; H590-V613 WeakPolarHBondContact O-CG2 3.3Å; Y609-V613 HydrophobicContact CD2-CB 4.48Å; Y609-V613 HydrophobicContact CE2-CB 3.93Å; Y609-V613 HydrophobicContact CE2-CG1 4.27Å; Y609-V613 HydrophobicContact CE2-CG2 4.36Å; Y609-V613 WeakPolarHBondContact O-CG1 3.49Å; Y609-V613 PolarHBondContact O-N 3.41Å; V613-E616 PolarHBondContact O-N 2.66Å; V613-L617 HydrophobicContact CG2-CD1 4.32Å; V613-L617 WeakPolarHBondContact O-CB 3.22Å; V613-L617 WeakPolarHBondContact O-CD1 3.19Å; V613-L617 VanDerWaalsContact O-CG 3.28Å; V613-L617 WeakPolarHBondContact O-CG 3.49Å; V613-L617 PolarHBondContact O-N 3.32Å
614	L	98.1	Very high	95.5	Very high	33 Å²	33	46.3 Å²	46.3	17%	0.173	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-41.3	169.8	-76.4	170.9	0	0	0	111.7	K552 V556 L559 L610 D611 N612 A618	K552-L614 HydrophobicContact CD-CD1 4.43Å; K552-L614 HydrophobicContact CG-CD1 4.27Å; V556-L614 HydrophobicContact CG2-CD1 4.38Å; V556-L614 HydrophobicContact CG2-CD2 3.81Å; V556-L614 HydrophobicContact CG2-CG 3.78Å; L559-L614 HydrophobicContact CD1-CD2 3.48Å; L559-L614 VanDerWaalsContact CD1-CD2 3.48Å; L610-L614 WeakPolarHBondContact O-CB 3.47Å; L610-L614 WeakPolarHBondContact O-CD1 3.34Å; L610-L614 WeakPolarHBondContact O-CG 3.3Å; L610-L614 PolarHBondContact O-N 2.9Å; D611-L614 PolarHBondContact O-N 3.3Å; N612-L614 VanDerWaalsContact C-N 3.32Å; N612-L614 PolarHBondContact O-N 3.43Å; L614-A618 WeakPolarHBondContact O-CB 3.45Å; L614-A618 PolarHBondContact O-N 2.91Å
615	S	96.1	Very high	95.4	Very high	82 Å²	82	50.9 Å²	50.9	57%	0.573	30%	0.3	S	S	*	.	H	α-helix	trans	-64.7	-42.4	174.6	-168.9	0	0	0	0	112.1	D611 N612 A618 S619	D611-S615 PolarHBondContact O-N 3.22Å; N612-S615 WeakPolarHBondContact O-CB 3.34Å; N612-S615 PolarHBondContact O-N 3.05Å; N612-S615 VanDerWaalsContact O-N 3.09Å; S615-A618 PolarHBondContact O-N 3.12Å; S615-S619 WeakPolarHBondContact O-CB 3.3Å; S615-S619 PolarHBondContact O-N 2.91Å
616	E	97	Very high	95.1	Very high	42 Å²	42	49 Å²	49	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-62.9	-45.6	175.8	-70.5	169.9	-177.2	0	0	111.9	H590 N612 V613 A618 S619 Q620	H590-E616 WeakPolarHBondContact CB-OE2 3.44Å; H590-E616 IonicContact CE1-OE1 2.73Å; H590-E616 IonicContact CG-OE1 3.35Å; H590-E616 IonicContact CG-OE2 3.19Å; H590-E616 PolarHBondContact N-OE2 2.74Å; H590-E616 VanDerWaalsContact ND1-CD 3.31Å; H590-E616 IonicContact ND1-OE1 2.78Å; H590-E616 PolarHBondContact ND1-OE1 3.03Å; H590-E616 IonicContact ND1-OE2 2.72Å; H590-E616 PolarHBondContact ND1-OE2 3.43Å; N612-E616 WeakPolarHBondContact O-CG 3.13Å; N612-E616 PolarHBondContact O-N 2.83Å; V613-E616 PolarHBondContact O-N 2.66Å; E616-A618 PolarHBondContact O-N 2.75Å; E616-S619 WeakPolarHBondContact O-CB 3.44Å; E616-S619 PolarHBondContact O-N 2.58Å; E616-S619 PolarHBondContact O-OG 2.87Å; E616-Q620 PolarHBondContact O-N 2.9Å
617	L	97.2	Very high	94.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-58.3	-46.3	173.3	-79.3	161.1	0	0	0	111.8	L559 L560 A563 I589 V613 S619 Q620 G621 V622	L559-L617 HydrophobicContact CB-CD1 3.81Å; L559-L617 HydrophobicContact CB-CD2 4.43Å; L560-L617 HydrophobicContact CD2-CD1 4.34Å; L560-L617 HydrophobicContact CD2-CD2 4.25Å; L560-L617 HydrophobicContact CG-CD1 4.4Å; A563-L617 HydrophobicContact CB-CD2 3.71Å; I589-L617 HydrophobicContact CD1-CD2 3.93Å; I589-L617 HydrophobicContact CG2-CD2 4.32Å; I589-L617 HydrophobicContact CG2-CG 4.21Å; V613-L617 HydrophobicContact CG2-CD1 4.32Å; V613-L617 WeakPolarHBondContact O-CB 3.22Å; V613-L617 WeakPolarHBondContact O-CD1 3.19Å; V613-L617 VanDerWaalsContact O-CG 3.28Å; V613-L617 WeakPolarHBondContact O-CG 3.49Å; V613-L617 PolarHBondContact O-N 3.32Å; L617-S619 VanDerWaalsContact C-N 3.32Å; L617-S619 PolarHBondContact O-N 2.98Å; L617-Q620 CarbonylContact O-C 3.32Å; L617-Q620 PolarHBondContact O-N 2.84Å; L617-Q620 VanDerWaalsContact O-N 3.09Å; L617-G621 PolarHBondContact O-N 3.45Å; L617-V622 CarbonylContact C-O 3.49Å; L617-V622 HydrophobicContact CB-CB 4.33Å; L617-V622 HydrophobicContact CD2-CB 4.06Å; L617-V622 HydrophobicContact CD2-CG1 3.97Å; L617-V622 WeakPolarHBondContact O-CA 3.33Å; L617-V622 WeakPolarHBondContact O-CB 3.38Å; L617-V622 PolarHBondContact O-N 3.08Å
618	A	94.3	Very high	94.2	Very high	46 Å²	46	50.8 Å²	50.8	38%	0.38	29%	0.286	S	S	.	.	H	α-helix	trans	-61.7	-37.6	175.8	0	0	0	0	0	112.4	L614 S615 E616 Q620 G621 V622 T623	L614-A618 WeakPolarHBondContact O-CB 3.45Å; L614-A618 PolarHBondContact O-N 2.91Å; S615-A618 PolarHBondContact O-N 3.12Å; E616-A618 PolarHBondContact O-N 2.75Å; A618-Q620 PolarHBondContact O-N 2.98Å; A618-G621 PolarHBondContact O-N 3.42Å; A618-V622 PolarHBondContact N-O 3.21Å; A618-T623 HydrophobicContact CB-CG2 4.15Å
619	S	91.5	Very high	92.8	Very high	60 Å²	60	50.5 Å²	50.5	42%	0.42	29%	0.29	S	S	.	.	H	α-helix	trans	-65.1	-20.8	175.7	84.2	0	0	0	0	113.7	I483 S615 E616 L617	I483-S619 WeakPolarHBondContact CD1-O 3.36Å; S615-S619 WeakPolarHBondContact O-CB 3.3Å; S615-S619 PolarHBondContact O-N 2.91Å; E616-S619 WeakPolarHBondContact O-CB 3.44Å; E616-S619 PolarHBondContact O-N 2.58Å; E616-S619 PolarHBondContact O-OG 2.87Å; L617-S619 VanDerWaalsContact C-N 3.32Å; L617-S619 PolarHBondContact O-N 2.98Å
620	Q	94.1	Very high	90.5	Very high	23 Å²	23	57 Å²	57	11%	0.107	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	8.2	172.3	-57.5	-67.5	4	0	0	113	I483 L568 I589 E616 L617 A618	I483-Q620 VanDerWaalsContact CD1-C 3.46Å; L568-Q620 HydrophobicContact CD1-CB 4.24Å; I589-Q620 HydrophobicContact CD1-CG 4.21Å; I589-Q620 HydrophobicContact CG1-CG 4.15Å; E616-Q620 PolarHBondContact O-N 2.9Å; L617-Q620 CarbonylContact O-C 3.32Å; L617-Q620 PolarHBondContact O-N 2.84Å; L617-Q620 VanDerWaalsContact O-N 3.09Å; A618-Q620 PolarHBondContact O-N 2.98Å
621	G	93.4	Very high	88.2	Confident	19 Å²	19	60.2 Å²	60.2	20%	0.196	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	17.9	178.6	0	0	0	0	0	114.1	R566 L617 A618	R566-G621 PolarHBondContact NH1-O 3.3Å; L617-G621 PolarHBondContact O-N 3.45Å; A618-G621 PolarHBondContact O-N 3.42Å
622	V	96	Very high	85.8	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.006	37%	0.37	C	S	.	.			trans	-106.2	87.5	179.2	-175.4	0	0	0	0	109	L559 V562 A563 L568 L617 A618	L559-V622 HydrophobicContact CB-CG1 4.09Å; L559-V622 HydrophobicContact CD2-CG1 4.08Å; L559-V622 WeakPolarHBondContact O-CG1 3.46Å; V562-V622 HydrophobicContact CB-CG1 3.92Å; V562-V622 HydrophobicContact CG1-CG1 3.84Å; V562-V622 HydrophobicContact CG1-CG2 4.49Å; A563-V622 HydrophobicContact CB-CG1 4.41Å; A563-V622 HydrophobicContact CB-CG2 4.11Å; L568-V622 HydrophobicContact CD1-CG2 3.67Å; L617-V622 CarbonylContact C-O 3.49Å; L617-V622 HydrophobicContact CB-CB 4.33Å; L617-V622 HydrophobicContact CD2-CB 4.06Å; L617-V622 HydrophobicContact CD2-CG1 3.97Å; L617-V622 WeakPolarHBondContact O-CA 3.33Å; L617-V622 WeakPolarHBondContact O-CB 3.38Å; L617-V622 PolarHBondContact O-N 3.08Å; A618-V622 PolarHBondContact N-O 3.21Å
623	T	94	Very high	83.1	Confident	50 Å²	50	58.8 Å²	58.8	31%	0.307	38%	0.383	S	S	.	.			trans	-109.5	172.6	180	65.7	0	0	0	0	111.6	L559 A618 D625 C626	L559-T623 VanDerWaalsContact CD2-O 3.27Å; L559-T623 WeakPolarHBondContact CD2-O 3.34Å; A618-T623 HydrophobicContact CB-CG2 4.15Å; T623-D625 PolarHBondContact O-N 3.02Å; T623-D625 VanDerWaalsContact O-N 3.16Å; T623-C626 WeakPolarHBondContact O-CB 3.24Å; T623-C626 PolarHBondContact O-N 3.47Å; T623-C626 PolarHBondContact O-SG 2.88Å
624	E	91.2	Very high	80.1	Confident	105 Å²	105	63.7 Å²	63.7	49%	0.491	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-57.2	-27	176.6	-63	179	-125	0	0	113.8	K555 C626 L627	K555-E624 VanDerWaalsContact CE-OE1 3.22Å; K555-E624 WeakPolarHBondContact CE-OE1 3.39Å; K555-E624 VanDerWaalsContact CE-OE2 3.27Å; K555-E624 WeakPolarHBondContact CE-OE2 3.25Å; K555-E624 IonicContact NZ-OE1 3.05Å; K555-E624 PolarHBondContact NZ-OE1 3.19Å; K555-E624 IonicContact NZ-OE2 3.67Å; K555-E624 PolarHBondContact NZ-OE2 3.22Å; E624-C626 PolarHBondContact O-N 2.93Å; E624-L627 WeakPolarHBondContact O-CB 3.43Å; E624-L627 PolarHBondContact O-N 3.29Å
625	D	90	Very high	77	Confident	97 Å²	97	68 Å²	68	52%	0.519	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-62.4	-24.6	174.6	-58.7	-58.2	0	0	0	112.6	T623 L627 K628	T623-D625 PolarHBondContact O-N 3.02Å; T623-D625 VanDerWaalsContact O-N 3.16Å; D625-L627 PolarHBondContact O-N 3.44Å; D625-K628 WeakPolarHBondContact O-CB 3.41Å; D625-K628 PolarHBondContact O-N 3.43Å; D625-K628 WeakPolarHBondContact OD1-CE 3.27Å; D625-K628 IonicContact OD1-NZ 2.67Å; D625-K628 PolarHBondContact OD1-NZ 3.37Å
626	C	88.1	Confident	73.9	Confident	39 Å²	39	72.9 Å²	72.9	26%	0.264	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-72.2	-12.6	174.9	-53.2	0	0	0	0	113.1	V562 R566 T623 E624	V562-C626 HydrophobicContact CG1-CB 4.01Å; R566-C626 PolarHBondContact NH1-SG 2.88Å; R566-C626 VanDerWaalsContact NH1-SG 3.35Å; R566-C626 PolarHBondContact NH2-SG 3.36Å; R566-C626 VanDerWaalsContact NH2-SG 3.38Å; T623-C626 WeakPolarHBondContact O-CB 3.24Å; T623-C626 PolarHBondContact O-N 3.47Å; T623-C626 PolarHBondContact O-SG 2.88Å; E624-C626 PolarHBondContact O-N 2.93Å
627	L	87.3	Confident	72.8	Confident	76 Å²	76	74.5 Å²	74.5	40%	0.398	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-92.6	-11	175.3	-54	-178.9	0	0	0	112.5	E558 L559 V562 E624 D625	E558-L627 HydrophobicContact CB-CD1 4.01Å; E558-L627 HydrophobicContact CB-CD2 3.82Å; L559-L627 HydrophobicContact CD2-CD1 3.95Å; L559-L627 HydrophobicContact CD2-CD2 4.12Å; L559-L627 HydrophobicContact CD2-CG 3.88Å; L559-L627 HydrophobicContact CG-CD1 4.23Å; V562-L627 HydrophobicContact CG2-CD2 3.85Å; E624-L627 WeakPolarHBondContact O-CB 3.43Å; E624-L627 PolarHBondContact O-N 3.29Å; D625-L627 PolarHBondContact O-N 3.44Å
628	K	84.5	Confident	71.5	Confident	111 Å²	111	78.4 Å²	78.4	48%	0.483	53%	0.525	S	S	.	.	S	Bend	trans	-76.4	141	178.6	-66.2	176	-177.7	167.1	0	110.2	D625	D625-K628 WeakPolarHBondContact O-CB 3.41Å; D625-K628 PolarHBondContact O-N 3.43Å; D625-K628 WeakPolarHBondContact OD1-CE 3.27Å; D625-K628 IonicContact OD1-NZ 2.67Å; D625-K628 PolarHBondContact OD1-NZ 3.37Å
629	P	66.1	Low	70.2	Confident	93 Å²	93	80.2 Å²	80.2	60%	0.604	53%	0.533	S	S	*	.			trans	-64.8	143.7	174.9	27.8	-34	0	0	0	110.6	G631 S632	P629-G631 PolarHBondContact O-N 2.78Å; P629-S632 PolarHBondContact O-N 3.37Å
630	P	48.4	Very low	69	Low	143 Å²	143	81.4 Å²	81.4	93%	0.929	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	107	179.2	25.8	-33.8	0	0	0	110
631	G	51.3	Low	67.4	Low	79 Å²	79	85 Å²	85	81%	0.814	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	138.9	-18.4	-177.3	0	0	0	0	0	115	P629 G633	P629-G631 PolarHBondContact O-N 2.78Å; G631-G633 PolarHBondContact O-N 2.72Å
632	S	48	Very low	65.6	Low	65 Å²	65	89.4 Å²	89.4	46%	0.455	59%	0.592	S	S	.	*			trans	-87.5	30	178	77.6	0	0	0	0	113.8	P629 S634	P629-S632 PolarHBondContact O-N 3.37Å; S632-S634 PolarHBondContact O-N 3.31Å
633	G	39.2	Very low	63.5	Low	71 Å²	71	95.7 Å²	95.7	73%	0.732	63%	0.633	S	S	*	*			trans	-77.2	106.5	176.1	0	0	0	0	0	109.9	G631 S635	G631-G633 PolarHBondContact O-N 2.72Å; G633-S635 PolarHBondContact O-N 3.48Å
634	S	36.3	Very low	61.1	Low	103 Å²	103	99.2 Å²	99.2	72%	0.72	66%	0.659	S	S	*	*			trans	-61.4	124.5	179.2	43.3	0	0	0	0	111.9	S632 S636	S632-S634 PolarHBondContact O-N 3.31Å; S634-S636 PolarHBondContact O-N 3.49Å
635	S	33	Very low	58.6	Low	124 Å²	124	98.8 Å²	98.8	87%	0.867	67%	0.673	S	S	*	*			trans	-60.4	122.3	155.2	-49.1	0	0	0	0	108.7	G633	G633-S635 PolarHBondContact O-N 3.48Å
636	S	31.2	Very low	55.8	Low	184 Å²	184	98.9 Å²	98.9	100%	1.287	69%	0.687	S	S	*	*			trans	-156.5	0	171	-65	0	0	0	0	108.1	S634	S634-S636 PolarHBondContact O-N 3.49Å

Retrieved 636 of 636 residues in 2496.5 ms (Link to these results)

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