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T-lymphocyte activation antigen CD86

Receptor involved in the costimulatory signal essential for T-lymphocyte proliferation and interleukin-2 production, by binding CD28 or CTLA-4. May play a critical role in the early events of T-cell activation and costimulation of naive T-cells, such as deciding between immunity and anergy that is made by T-cells within 24 hours after activation. Also involved in the regulation of B cells function, plays a role in regulating the level of IgG(1) produced. Upon CD40 engagement, activates NF-kappa-B signaling pathway via phospholipase C and protein kinase C activation.

AlphaFold DB , UniProt , Accession A0A096NEY8, Species PAPAN (Papio anubis, Olive baboon), Gene CD86, Length 329 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.2	Very low	43.2	Very low	237 Å²	237	141.1 Å²	141.1	100%	1.167	81%	0.813	S	S	*	*				0	142	0	-73.2	170.5	170.5	0	0	106.9
2	D	46.3	Very low	44.1	Very low	135 Å²	135	138.5 Å²	138.5	72%	0.722	80%	0.802	S	S	*	*			trans	-67.3	164.6	-161.5	-55	-104.2	0	0	0	113.4
3	P	46.1	Very low	44.8	Very low	128 Å²	128	139.3 Å²	139.3	83%	0.831	80%	0.8	S	S	*	*				-123.5	143.5	85.3	35.2	-30.3	0	0	0	114.4
4	Q	46.9	Very low	45.1	Very low	157 Å²	157	141.9 Å²	141.9	73%	0.734	80%	0.798	S	S	*	*			trans	-73.8	139.5	169.8	-63.6	165.8	-23.2	0	0	110.1
5	C	42.7	Very low	45.6	Very low	129 Å²	129	140.6 Å²	140.6	87%	0.872	79%	0.794	S	S	*	*			trans	-111.5	92.8	159.6	-87.3	0	0	0	0	108.9	M7	C5-M7 PolarHBondContact O-N 2.99Å
6	T	42.9	Very low	46.3	Very low	125 Å²	125	140.7 Å²	140.7	77%	0.767	79%	0.788	S	S	*	*			trans	-68.9	108.6	173.2	40.9	0	0	0	0	110	G8	T6-G8 PolarHBondContact O-N 3.1Å
7	M	42.4	Very low	46.7	Very low	187 Å²	187	137.1 Å²	137.1	92%	0.921	78%	0.781	S	S	*	*			trans	-66.9	101.4	168.9	-77	176.5	57.8	0	0	109.5	C5 L9	C5-M7 PolarHBondContact O-N 2.99Å; M7-L9 PolarHBondContact O-N 2.61Å
8	G	42.5	Very low	46.7	Very low	73 Å²	73	140 Å²	140	75%	0.753	78%	0.784	S	S	*	*			trans	-65.8	102.2	174	0	0	0	0	0	110.9	T6 S10	T6-G8 PolarHBondContact O-N 3.1Å; G8-S10 VanDerWaalsContact C-N 3.35Å; G8-S10 PolarHBondContact O-N 2.58Å
9	L	42.9	Very low	46.5	Very low	151 Å²	151	140.6 Å²	140.6	79%	0.791	78%	0.784	S	S	*	*			trans	-71.4	90.9	174.4	-168	74.5	0	0	0	109.3	M7 N11	M7-L9 PolarHBondContact O-N 2.61Å; L9-N11 PolarHBondContact O-N 2.89Å
10	S	42.8	Very low	46.4	Very low	98 Å²	98	142 Å²	142	69%	0.685	79%	0.789	S	S	*	*			trans	-69	97.9	-179.4	-169.6	0	0	0	0	110.7	G8 T12	G8-S10 VanDerWaalsContact C-N 3.35Å; G8-S10 PolarHBondContact O-N 2.58Å; S10-T12 PolarHBondContact O-N 2.98Å
11	N	43.4	Very low	46.5	Very low	132 Å²	132	140.6 Å²	140.6	71%	0.706	79%	0.789	S	S	*	*			trans	-74	75.5	172.1	-80.5	-16.6	0	0	0	110.3	L9 L13	L9-N11 PolarHBondContact O-N 2.89Å; N11-L13 PolarHBondContact O-N 3.15Å
12	T	53.5	Low	47.5	Very low	110 Å²	110	132.7 Å²	132.7	68%	0.675	77%	0.768	S	S	*	*			trans	-65.6	99.6	167.8	12.2	0	0	0	0	109.6	S10 F14	S10-T12 PolarHBondContact O-N 2.98Å; T12-F14 PolarHBondContact O-N 3.5Å
13	L	53.2	Low	48.8	Very low	149 Å²	149	130 Å²	130	78%	0.78	77%	0.765	S	S	*	*			trans	-61.3	104.6	166.6	-89.8	91.3	0	0	0	109	N11 V15	N11-L13 PolarHBondContact O-N 3.15Å; L13-V15 HydrophobicContact CB-CG2 4.46Å; L13-V15 PolarHBondContact O-N 3.31Å
14	F	49.9	Very low	50.7	Low	176 Å²	176	128 Å²	128	77%	0.772	76%	0.759	S	S	*	*			trans	-67.8	88.6	158.9	-96.4	-93.5	0	0	0	108.4	T12 M16	T12-F14 PolarHBondContact O-N 3.5Å; F14-M16 HydrophobicContact CD1-SD 4.46Å; F14-M16 PolarHBondContact O-N 3.21Å
15	V	53	Low	52.9	Low	122 Å²	122	122.6 Å²	122.6	74%	0.739	74%	0.737	S	S	*	*			trans	-67	86.9	162.6	-178.4	0	0	0	0	106.6	L13 A17	L13-V15 HydrophobicContact CB-CG2 4.46Å; L13-V15 PolarHBondContact O-N 3.31Å; V15-A17 PolarHBondContact O-N 2.76Å
16	M	55.7	Low	55.4	Low	142 Å²	142	118.9 Å²	118.9	70%	0.7	71%	0.709	S	S	*	*			trans	-64.7	88.5	169.2	-73.5	-64.2	-68.4	0	0	107.7	F14 F18	F14-M16 HydrophobicContact CD1-SD 4.46Å; F14-M16 PolarHBondContact O-N 3.21Å; M16-F18 VanDerWaalsContact C-N 3.34Å; M16-F18 PolarHBondContact O-N 2.78Å
17	A	53.3	Low	58	Low	80 Å²	80	120 Å²	120	66%	0.661	70%	0.703	S	S	*	*			trans	-58.7	101.4	167.7	0	0	0	0	0	107.3	V15 L19	V15-A17 PolarHBondContact O-N 2.76Å; A17-L19 VanDerWaalsContact C-N 3.27Å; A17-L19 PolarHBondContact O-N 3.25Å
18	F	47.6	Very low	60.6	Low	189 Å²	189	112.1 Å²	112.1	83%	0.829	66%	0.664	S	S	*	*			trans	-61.9	96.8	169.6	-96	-94.7	0	0	0	107.3	M16 L20	M16-F18 VanDerWaalsContact C-N 3.34Å; M16-F18 PolarHBondContact O-N 2.78Å; F18-L20 VanDerWaalsContact C-N 3.29Å; F18-L20 PolarHBondContact O-N 3.35Å
19	L	42.8	Very low	63.2	Low	152 Å²	152	114.1 Å²	114.1	80%	0.796	65%	0.654	S	S	*	*			trans	-57.9	101.6	161.1	-68	175.2	0	0	0	105.9	A17 S21	A17-L19 VanDerWaalsContact C-N 3.27Å; A17-L19 PolarHBondContact O-N 3.25Å; L19-S21 PolarHBondContact O-N 3.01Å
20	L	43.8	Very low	65.8	Low	167 Å²	167	107.3 Å²	107.3	87%	0.874	62%	0.619	S	S	*	*			trans	-66.1	85.5	167.7	-76.4	168.2	0	0	0	106.7	F18 G22	F18-L20 VanDerWaalsContact C-N 3.29Å; F18-L20 PolarHBondContact O-N 3.35Å; L20-G22 PolarHBondContact O-N 2.74Å
21	S	48.9	Very low	68.4	Low	113 Å²	113	106.9 Å²	106.9	79%	0.79	60%	0.603	S	S	*	*			trans	-70.5	66.7	175.2	45.2	0	0	0	0	109.9	L19 A23	L19-S21 PolarHBondContact O-N 3.01Å; S21-A23 PolarHBondContact O-N 3.38Å
22	G	56.9	Low	71	Confident	71 Å²	71	102.5 Å²	102.5	73%	0.732	58%	0.578	S	S	*	*			trans	-56.9	106.4	162.5	0	0	0	0	0	107.7	L20 A24	L20-G22 PolarHBondContact O-N 2.74Å; G22-A24 PolarHBondContact O-N 3.24Å
23	A	72.6	Confident	73.1	Confident	80 Å²	80	101.8 Å²	101.8	66%	0.661	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-56.5	133.3	177.1	0	0	0	0	0	109	S21	S21-A23 PolarHBondContact O-N 3.38Å
24	A	86.5	Confident	75.3	Confident	85 Å²	85	99.8 Å²	99.8	70%	0.702	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-57.5	139.1	176.3	0	0	0	0	0	109.6	G22	G22-A24 PolarHBondContact O-N 3.24Å
25	P	92.7	Very high	77.6	Confident	43 Å²	43	94.1 Å²	94.1	28%	0.279	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-62.7	144.4	179.7	27.4	-34.6	0	0	0	110.6	K27 L107 N127 E129	P25-K27 PolarHBondContact O-N 3.18Å; P25-L107 HydrophobicContact CB-CD2 4.19Å; P25-L107 HydrophobicContact CG-CD2 4.13Å; P25-N127 WeakPolarHBondContact CA-O 3.13Å; P25-N127 HydrophobicContact CB-CB 4.11Å; P25-E129 HydrophobicContact CB-CB 4.17Å; P25-E129 HydrophobicContact CG-CB 4.21Å
26	L	95.5	Very high	79.7	Confident	51 Å²	51	88.3 Å²	88.3	27%	0.267	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	114.8	171.9	177.2	68.7	0	0	0	109.3	I28 P39 M126 N127 S128 E129	L26-I28 HydrophobicContact CD2-CD1 4.27Å; L26-I28 HydrophobicContact CD2-CG1 4.23Å; L26-I28 HydrophobicContact CG-CG1 4.13Å; L26-P39 HydrophobicContact CD2-CG 3.56Å; L26-M126 HydrophobicContact CB-CE 3.8Å; L26-N127 PolarHBondContact N-O 2.8Å; L26-S128 CarbonylContact O-C 3.58Å; L26-S128 VanDerWaalsContact O-CA 3.26Å; L26-S128 WeakPolarHBondContact O-CA 3.14Å; L26-E129 PolarHBondContact O-N 2.89Å
27	K	97.3	Very high	81.8	Confident	149 Å²	149	84.8 Å²	84.8	65%	0.648	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	127.2	174.5	-71.2	-177	177.9	-69.6	0	110.4	P25 E129	P25-K27 PolarHBondContact O-N 3.18Å; K27-E129 HydrophobicContact CG-CB 4.5Å; K27-E129 VanDerWaalsContact NZ-CD 3.33Å; K27-E129 IonicContact NZ-OE1 2.64Å; K27-E129 PolarHBondContact NZ-OE1 2.84Å; K27-E129 IonicContact NZ-OE2 3.62Å; K27-E129 PolarHBondContact NZ-OE2 2.89Å
28	I	97.7	Very high	83.9	Confident	21 Å²	21	81 Å²	81	11%	0.108	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.2	-178.5	-57	170.4	0	0	0	107.6	L26 L38 E129 L130 S131	L26-I28 HydrophobicContact CD2-CD1 4.27Å; L26-I28 HydrophobicContact CD2-CG1 4.23Å; L26-I28 HydrophobicContact CG-CG1 4.13Å; I28-L38 HydrophobicContact CD1-CD2 3.73Å; I28-E129 PolarHBondContact N-O 3.04Å; I28-L130 HydrophobicContact CB-CD1 4.08Å; I28-L130 HydrophobicContact CG2-CD1 3.73Å; I28-S131 PolarHBondContact O-N 3.01Å
29	Q	97.1	Very high	86.2	Confident	116 Å²	116	73.5 Å²	73.5	54%	0.542	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.8	174.1	-77.7	173.1	103.5	0	0	108.9	S131 K224	Q29-S131 WeakPolarHBondContact CA-O 3.34Å; Q29-K224 VanDerWaalsContact OE1-CE 3.29Å
30	A	97.9	Very high	88.8	Confident	7 Å²	7	66.3 Å²	66.3	6%	0.058	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	158.5	176.7	0	0	0	0	0	109.9	A36 L100 L130 S131 V132 L133	A30-A36 HydrophobicContact CB-CB 3.82Å; A30-L100 HydrophobicContact CB-CD2 3.58Å; A30-L130 HydrophobicContact CB-CD1 4.38Å; A30-S131 PolarHBondContact N-O 3.46Å; A30-V132 WeakPolarHBondContact O-CA 3.46Å; A30-L133 PolarHBondContact O-N 2.92Å
31	Y	97.9	Very high	91.1	Very high	90 Å²	90	63.5 Å²	63.5	35%	0.353	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	154.8	-176.2	-62.7	-87.3	0	0	0	113.4	E34 L133 N135	Y31-E34 WeakPolarHBondContact O-CB 3.26Å; Y31-E34 PolarHBondContact O-N 2.85Å; Y31-E34 VanDerWaalsContact O-N 3.13Å; Y31-L133 CarbonylContact C-O 3.54Å; Y31-L133 VanDerWaalsContact CA-O 3.25Å; Y31-L133 WeakPolarHBondContact CA-O 3.41Å; Y31-L133 HydrophobicContact CD1-CB 3.67Å; Y31-L133 HydrophobicContact CE1-CB 3.76Å; Y31-L133 HydrophobicContact CE1-CD1 4.1Å; Y31-N135 WeakPolarHBondContact CE1-OD1 3.46Å
32	F	98.1	Very high	93.2	Very high	40 Å²	40	59.1 Å²	59.1	18%	0.175	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	141.2	172.7	179.6	-98.8	0	0	0	111.8	E34 L100 I102 L133 A134 T194 L196	F32-E34 PolarHBondContact O-N 2.89Å; F32-L100 CarbonylContact C-O 3.5Å; F32-L100 WeakPolarHBondContact CA-O 3.18Å; F32-L100 WeakPolarHBondContact CD2-O 3.21Å; F32-I102 HydrophobicContact CB-CD1 4.12Å; F32-I102 HydrophobicContact CD2-CD1 3.84Å; F32-I102 HydrophobicContact CD2-CG1 3.9Å; F32-I102 HydrophobicContact CE2-CG1 4.36Å; F32-I102 HydrophobicContact CG-CD1 4.33Å; F32-L133 PolarHBondContact N-O 2.94Å; F32-A134 HydrophobicContact CB-CB 3.94Å; F32-T194 HydrophobicContact CZ-CG2 3.91Å; F32-L196 HydrophobicContact CD1-CD1 4.15Å; F32-L196 HydrophobicContact CD1-CD2 4.48Å; F32-L196 HydrophobicContact CD2-CD2 4.39Å; F32-L196 HydrophobicContact CE1-CD1 3.83Å; F32-L196 HydrophobicContact CG-CD2 4.29Å; F32-L196 HydrophobicContact CZ-CD1 4.1Å
33	N	97.4	Very high	94.8	Very high	94 Å²	94	60.2 Å²	60.2	50%	0.503	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	-6.7	-169.7	-70	-14.1	0	0	0	116.7	N99 L100	N33-N99 PolarHBondContact OD1-OD1 2.87Å; N33-L100 PolarHBondContact N-O 2.77Å
34	E	98	Very high	95.7	Very high	107 Å²	107	57.5 Å²	57.5	50%	0.5	31%	0.312	S	S	.	.	S	Bend	trans	-82.5	-154.1	175	-58.3	-166.6	156.3	0	0	112.1	Y31 F32 N99 L100	Y31-E34 WeakPolarHBondContact O-CB 3.26Å; Y31-E34 PolarHBondContact O-N 2.85Å; Y31-E34 VanDerWaalsContact O-N 3.13Å; F32-E34 PolarHBondContact O-N 2.89Å; E34-N99 PolarHBondContact O-N 2.85Å; E34-L100 PolarHBondContact O-N 2.75Å; E34-L100 VanDerWaalsContact O-N 3.09Å
35	T	98.4	Very high	95.8	Very high	57 Å²	57	58.7 Å²	58.7	35%	0.35	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131	178.2	-64.3	0	0	0	0	110.2	R96 L97 H98	T35-R96 HydrophobicContact CG2-CB 3.77Å; T35-R96 HydrophobicContact CG2-CG 4.49Å; T35-L97 CarbonylContact C-O 3.53Å; T35-L97 VanDerWaalsContact CA-O 3.28Å; T35-L97 WeakPolarHBondContact CA-O 3.43Å; T35-H98 VanDerWaalsContact CG2-ND1 3.31Å; T35-H98 WeakPolarHBondContact CG2-ND1 3.48Å; T35-H98 PolarHBondContact OG1-ND1 2.81Å
36	A	98.4	Very high	95.5	Very high	1 Å²	1	63 Å²	63	1%	0.008	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.7	169.4	0	0	0	0	0	110.8	A30 R96 L97 L100 L130	A30-A36 HydrophobicContact CB-CB 3.82Å; A36-R96 WeakPolarHBondContact O-CA 3.32Å; A36-L97 PolarHBondContact N-O 2.97Å; A36-L97 PolarHBondContact O-N 2.83Å; A36-L100 HydrophobicContact CB-CD1 4.25Å; A36-L100 HydrophobicContact CB-CD2 3.96Å; A36-L130 HydrophobicContact CB-CD1 3.78Å; A36-L130 HydrophobicContact CB-CD2 3.84Å; A36-L130 HydrophobicContact CB-CG 4.5Å
37	D	98.2	Very high	95.2	Very high	67 Å²	67	67.7 Å²	67.7	36%	0.358	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	120.7	170.9	-86.1	14.7	0	0	0	109.5	P39 T94 R96	D37-P39 VanDerWaalsContact C-CD 3.48Å; D37-P39 WeakPolarHBondContact O-CD 3.35Å; D37-T94 HydrophobicContact CB-CG2 3.67Å; D37-R96 WeakPolarHBondContact OD1-CD 3.37Å; D37-R96 WeakPolarHBondContact OD1-CG 3.43Å; D37-R96 IonicContact OD1-NE 2.69Å; D37-R96 PolarHBondContact OD1-NE 2.92Å; D37-R96 VanDerWaalsContact OD1-NE 3.08Å; D37-R96 IonicContact OD2-NE 3.08Å; D37-R96 PolarHBondContact OD2-NE 2.84Å; D37-R96 IonicContact OD2-NH2 2.67Å
38	L	98	Very high	94.8	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	78.8	-179.4	-59.8	177.3	0	0	0	110.8	I28 W57 L65 L95 L97 Y108 L130	I28-L38 HydrophobicContact CD1-CD2 3.73Å; L38-W57 PolarHBondContact O-NE1 3.27Å; L38-L65 HydrophobicContact CD1-CD2 3.76Å; L38-L95 HydrophobicContact CB-CB 4.46Å; L38-L95 WeakPolarHBondContact CB-O 3.4Å; L38-L95 PolarHBondContact N-O 2.62Å; L38-L95 PolarHBondContact O-N 3.16Å; L38-L97 HydrophobicContact CD1-CB 4.49Å; L38-Y108 HydrophobicContact CD1-CD1 4.35Å; L38-Y108 HydrophobicContact CD1-CG 4.32Å; L38-L130 HydrophobicContact CD2-CD2 4.4Å
39	P	96.9	Very high	94.5	Very high	31 Å²	31	64 Å²	64	20%	0.201	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	133.9	-174.6	29.2	-36.6	0	0	0	112.3	L26 D37 Q41 T94	L26-P39 HydrophobicContact CD2-CG 3.56Å; D37-P39 VanDerWaalsContact C-CD 3.48Å; D37-P39 WeakPolarHBondContact O-CD 3.35Å; P39-Q41 VanDerWaalsContact C-N 3.32Å; P39-T94 HydrophobicContact CB-CG2 4.45Å
40	C	95.8	Very high	94.3	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.33	C	S	.	.			trans	-78.2	-16.2	176.9	-161.4	0	0	0	0	113	F42 W57 W93 C110 H124 M126	C40-F42 PolarHBondContact O-N 3.42Å; C40-W57 HydrophobicContact CB-CZ2 3.98Å; C40-W93 HydrophobicContact CB-CB 4.27Å; C40-W93 WeakPolarHBondContact CB-O 3.27Å; C40-W93 PolarHBondContact N-O 3.05Å; C40-C110 HydrophobicContact CB-CB 3.76Å; C40-C110 WeakPolarHBondContact CB-SG 3.34Å; C40-C110 WeakPolarHBondContact SG-CB 3.44Å; C40-C110 CovalentContact SG-SG 2.03Å; C40-C110 PolarHBondContact SG-SG 2.91Å; C40-H124 PolarHBondContact O-NE2 3.39Å; C40-M126 WeakPolarHBondContact O-CB 3.48Å
41	Q	93.1	Very high	94.2	Very high	109 Å²	109	63.2 Å²	63.2	51%	0.509	35%	0.35	S	S	.	.			trans	53.4	34.3	-175	-58.7	-167.6	-11.7	0	0	114.3	P39 A43 M126	P39-Q41 VanDerWaalsContact C-N 3.32Å; Q41-A43 PolarHBondContact O-N 2.97Å; Q41-M126 HydrophobicContact CB-CG 4.47Å
42	F	93.7	Very high	94	Very high	21 Å²	21	62.8 Å²	62.8	9%	0.092	35%	0.352	C	S	.	.			trans	-86.4	103.8	-179.8	179.7	-122.1	0	0	0	111.8	C40 N44 L53 W93 I112 I123 H124	C40-F42 PolarHBondContact O-N 3.42Å; F42-N44 HydrophobicContact CD1-CB 3.81Å; F42-N44 HydrophobicContact CE1-CB 3.47Å; F42-N44 VanDerWaalsContact CE1-CB 3.47Å; F42-N44 WeakPolarHBondContact CE1-OD1 3.42Å; F42-N44 HydrophobicContact CZ-CB 4.09Å; F42-N44 PolarHBondContact O-N 2.9Å; F42-L53 HydrophobicContact CE1-CD1 4.24Å; F42-W93 HydrophobicContact CB-CB 4.46Å; F42-W93 HydrophobicContact CB-CD2 4.37Å; F42-W93 HydrophobicContact CB-CG 4.31Å; F42-W93 AromaticContact CD1-CD2 3.81Å; F42-W93 HydrophobicContact CD1-CD2 3.81Å; F42-W93 AromaticContact CD1-CE2 3.93Å; F42-W93 AromaticContact CD1-CE3 3.79Å; F42-W93 HydrophobicContact CD1-CE3 3.79Å; F42-W93 HydrophobicContact CD1-CH2 4.06Å; F42-W93 HydrophobicContact CD1-CZ2 4.07Å; F42-W93 AromaticContact CD1-CZ3 3.91Å; F42-W93 HydrophobicContact CD1-CZ3 3.91Å; F42-W93 HydrophobicContact CE1-CH2 4.12Å; F42-W93 HydrophobicContact CE1-CZ2 4.28Å; F42-W93 HydrophobicContact CE1-CZ3 4.26Å; F42-I112 HydrophobicContact CB-CD1 3.45Å; F42-I112 VanDerWaalsContact CB-CD1 3.45Å; F42-I112 HydrophobicContact CD1-CD1 3.44Å; F42-I112 VanDerWaalsContact CD1-CD1 3.44Å; F42-I112 HydrophobicContact CD2-CD1 3.78Å; F42-I112 HydrophobicContact CE1-CD1 4.05Å; F42-I112 HydrophobicContact CE2-CD1 4.36Å; F42-I112 HydrophobicContact CG-CD1 3.27Å; F42-I112 HydrophobicContact CZ-CD1 4.47Å; F42-I123 HydrophobicContact CE2-CD1 4.08Å; F42-I123 HydrophobicContact CZ-CD1 3.79Å; F42-H124 HydrophobicContact CD2-CB 3.68Å; F42-H124 AromaticContact CD2-CG 3.65Å; F42-H124 HydrophobicContact CE2-CB 4.02Å
43	A	89.6	Confident	93.9	Very high	93 Å²	93	60.9 Å²	60.9	77%	0.769	34%	0.343	S	S	*	.			trans	-69	0.2	-177.6	0	0	0	0	0	115.8	Q41 S45	Q41-A43 PolarHBondContact O-N 2.97Å; A43-S45 PolarHBondContact O-N 2.89Å
44	N	90.6	Very high	93.8	Very high	24 Å²	24	56.7 Å²	56.7	13%	0.128	32%	0.321	C	S	.	.			trans	32.3	44.3	-177.7	-160.4	13.2	0	0	0	116.4	F42 Q46 N47 R48 W93	F42-N44 HydrophobicContact CD1-CB 3.81Å; F42-N44 HydrophobicContact CE1-CB 3.47Å; F42-N44 VanDerWaalsContact CE1-CB 3.47Å; F42-N44 WeakPolarHBondContact CE1-OD1 3.42Å; F42-N44 HydrophobicContact CZ-CB 4.09Å; F42-N44 PolarHBondContact O-N 2.9Å; N44-Q46 PolarHBondContact O-N 3.4Å; N44-N47 PolarHBondContact O-N 3.46Å; N44-R48 PolarHBondContact ND2-N 3Å; N44-R48 PolarHBondContact ND2-O 3.22Å; N44-R48 PolarHBondContact OD1-N 3.11Å; N44-W93 HydrophobicContact CB-CZ2 4.34Å
45	S	88.7	Confident	93.8	Very high	109 Å²	109	51.6 Å²	51.6	76%	0.762	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	1	-170.2	59.4	0	0	0	0	116.5	A43	A43-S45 PolarHBondContact O-N 2.89Å
46	Q	87.6	Confident	93.6	Very high	135 Å²	135	51 Å²	51	63%	0.631	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	13.8	172.5	-63.5	-175.1	9.6	0	0	112.3	N44 R48	N44-Q46 PolarHBondContact O-N 3.4Å; Q46-R48 HydrophobicContact CB-CG 4.21Å; Q46-R48 PolarHBondContact O-N 2.8Å; Q46-R48 VanDerWaalsContact O-N 3.15Å
47	N	88.1	Confident	93.6	Very high	149 Å²	149	51.1 Å²	51.1	80%	0.797	29%	0.29	S	S	*	.			trans	47.8	41.6	178.1	-62.5	-15.1	0	0	0	113.6	N44	N44-N47 PolarHBondContact O-N 3.46Å
48	R	89.8	Confident	93.5	Very high	34 Å²	34	49.1 Å²	49.1	13%	0.128	28%	0.279	C	S	.	.			trans	-70	141.6	-178	-59.1	-165.9	-166.8	94.1	-6.6	110.4	N44 Q46 L53	N44-R48 PolarHBondContact ND2-N 3Å; N44-R48 PolarHBondContact ND2-O 3.22Å; N44-R48 PolarHBondContact OD1-N 3.11Å; Q46-R48 HydrophobicContact CB-CG 4.21Å; Q46-R48 PolarHBondContact O-N 2.8Å; Q46-R48 VanDerWaalsContact O-N 3.15Å; R48-L53 HydrophobicContact CB-CD1 4.49Å; R48-L53 HydrophobicContact CB-CD2 4.43Å
49	S	92.1	Very high	93.5	Very high	57 Å²	57	49.4 Å²	49.4	40%	0.399	28%	0.28	S	S	.	.			trans	-73.2	143	175.1	177.2	0	0	0	0	110	S51 E52	S49-S51 WeakPolarHBondContact CB-OG 3.35Å; S49-S51 PolarHBondContact O-N 3.3Å; S49-S51 VanDerWaalsContact O-N 3.1Å; S49-S51 PolarHBondContact OG-N 3.45Å; S49-S51 PolarHBondContact OG-OG 2.95Å; S49-E52 PolarHBondContact N-OE2 3.18Å; S49-E52 WeakPolarHBondContact O-CB 3.41Å; S49-E52 PolarHBondContact O-N 3.13Å
50	L	93	Very high	93.3	Very high	39 Å²	39	53 Å²	53	20%	0.204	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-58.3	-23.6	171.6	-165.1	69.5	0	0	0	111.7	E52 L53 V55 V68 L70 G71 F88 P90 W93	L50-E52 PolarHBondContact O-N 3.25Å; L50-L53 PolarHBondContact O-N 3.1Å; L50-V55 HydrophobicContact CD1-CG2 4.22Å; L50-V68 HydrophobicContact CD1-CG1 4.3Å; L50-V68 HydrophobicContact CD2-CG1 4.09Å; L50-V68 HydrophobicContact CG-CG1 4.25Å; L50-L70 CarbonylContact O-C 3.59Å; L50-L70 WeakPolarHBondContact O-CA 3.27Å; L50-G71 PolarHBondContact O-N 2.85Å; L50-F88 HydrophobicContact CD1-CE1 3.99Å; L50-F88 HydrophobicContact CD1-CZ 4.3Å; L50-F88 HydrophobicContact CD2-CE1 3.9Å; L50-P90 HydrophobicContact CD2-CB 4.26Å; L50-W93 HydrophobicContact CD1-CH2 3.78Å; L50-W93 HydrophobicContact CD1-CZ3 3.7Å
51	S	94.2	Very high	93.3	Very high	68 Å²	68	58.4 Å²	58.4	48%	0.476	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-68.3	-10.2	172.8	68.5	0	0	0	0	115.1	S49 L70	S49-S51 WeakPolarHBondContact CB-OG 3.35Å; S49-S51 PolarHBondContact O-N 3.3Å; S49-S51 VanDerWaalsContact O-N 3.1Å; S49-S51 PolarHBondContact OG-N 3.45Å; S49-S51 PolarHBondContact OG-OG 2.95Å; S51-L70 WeakPolarHBondContact O-CD2 3.01Å
52	E	94.8	Very high	93.3	Very high	82 Å²	82	58.2 Å²	58.2	38%	0.383	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-103.7	-5.7	177.6	-57.2	172.6	126.8	0	0	112	S49 L50 K115	S49-E52 PolarHBondContact N-OE2 3.18Å; S49-E52 WeakPolarHBondContact O-CB 3.41Å; S49-E52 PolarHBondContact O-N 3.13Å; L50-E52 PolarHBondContact O-N 3.25Å; E52-K115 PolarHBondContact O-N 2.88Å
53	L	95.9	Very high	93.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	151.4	-168.9	-59.3	179.9	0	0	0	112.2	F42 R48 L50 L70 W93 I112 H113 H114 I123	F42-L53 HydrophobicContact CE1-CD1 4.24Å; R48-L53 HydrophobicContact CB-CD1 4.49Å; R48-L53 HydrophobicContact CB-CD2 4.43Å; L50-L53 PolarHBondContact O-N 3.1Å; L53-L70 WeakPolarHBondContact O-CA 3.42Å; L53-L70 PolarHBondContact O-N 3.34Å; L53-W93 HydrophobicContact CD1-CH2 3.67Å; L53-W93 HydrophobicContact CD1-CZ3 3.94Å; L53-I112 HydrophobicContact CB-CG2 4.32Å; L53-I112 HydrophobicContact CD1-CG2 4.11Å; L53-I112 HydrophobicContact CD2-CG2 4.03Å; L53-I112 HydrophobicContact CG-CG2 4.38Å; L53-H113 CarbonylContact C-O 3.55Å; L53-H113 VanDerWaalsContact CA-O 3.27Å; L53-H113 WeakPolarHBondContact CA-O 3.38Å; L53-H114 HydrophobicContact CD2-CB 4.22Å; L53-I123 HydrophobicContact CD2-CD1 3.77Å
54	V	95.8	Very high	93.8	Very high	6 Å²	6	56.1 Å²	56.1	4%	0.036	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	111.9	162.4	-176.9	0	0	0	0	106.8	E67 V68 Y69 L70 H113 M120	V54-E67 HydrophobicContact CG1-CG 4.41Å; V54-V68 WeakPolarHBondContact CA-O 3.24Å; V54-Y69 HydrophobicContact CB-CD2 4.39Å; V54-Y69 HydrophobicContact CG1-CD2 3.86Å; V54-Y69 HydrophobicContact CG2-CD2 3.58Å; V54-Y69 HydrophobicContact CG2-CE2 3.73Å; V54-Y69 HydrophobicContact CG2-CG 4.26Å; V54-L70 HydrophobicContact CG2-CD2 4.27Å; V54-H113 HydrophobicContact CB-CB 4.42Å; V54-H113 PolarHBondContact N-O 2.83Å; V54-H113 PolarHBondContact O-N 2.81Å; V54-M120 HydrophobicContact CB-SD 4.39Å; V54-M120 HydrophobicContact CG2-SD 4Å
55	V	96.3	Very high	94.2	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	140.2	176.6	-169	0	0	0	0	108.2	L50 W57 E67 V68 W93 I111 I112	L50-V55 HydrophobicContact CD1-CG2 4.22Å; V55-W57 HydrophobicContact CB-CZ3 4.26Å; V55-W57 HydrophobicContact CG1-CE3 4.09Å; V55-W57 HydrophobicContact CG1-CH2 3.5Å; V55-W57 VanDerWaalsContact CG1-CH2 3.5Å; V55-W57 HydrophobicContact CG1-CZ2 4.38Å; V55-W57 HydrophobicContact CG1-CZ3 3.36Å; V55-E67 CarbonylContact O-C 3.58Å; V55-V68 HydrophobicContact CB-CB 4.14Å; V55-V68 HydrophobicContact CB-CG2 4.44Å; V55-V68 PolarHBondContact N-O 3.12Å; V55-V68 PolarHBondContact O-N 2.88Å; V55-W93 HydrophobicContact CG2-CZ3 4.11Å; V55-I111 WeakPolarHBondContact CA-O 3.28Å; V55-I112 HydrophobicContact CB-CG1 4.48Å; V55-I112 HydrophobicContact CG1-CG1 3.95Å; V55-I112 HydrophobicContact CG2-CG1 4.13Å; V55-I112 HydrophobicContact CG2-CG2 4.27Å
56	F	95.1	Very high	94.6	Very high	43 Å²	43	49.8 Å²	49.8	19%	0.189	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	155.5	165.2	59.5	-93.4	0	0	0	112.1	N66 E67 I111 H113	F56-N66 VanDerWaalsContact CA-O 3.24Å; F56-N66 WeakPolarHBondContact CA-O 3.23Å; F56-N66 VanDerWaalsContact CB-O 3.3Å; F56-N66 WeakPolarHBondContact CB-O 3.49Å; F56-E67 HydrophobicContact CB-CB 4.44Å; F56-I111 HydrophobicContact CD2-CB 4.48Å; F56-I111 HydrophobicContact CD2-CG1 4.49Å; F56-I111 HydrophobicContact CE1-CB 4.3Å; F56-I111 HydrophobicContact CE2-CB 4.11Å; F56-I111 HydrophobicContact CE2-CD1 3.61Å; F56-I111 HydrophobicContact CE2-CG1 3.96Å; F56-I111 HydrophobicContact CZ-CB 4.02Å; F56-I111 HydrophobicContact CZ-CD1 3.76Å; F56-I111 HydrophobicContact CZ-CG1 4.23Å; F56-I111 HydrophobicContact CZ-CG2 4.47Å; F56-I111 PolarHBondContact N-O 3.33Å; F56-I111 PolarHBondContact O-N 2.77Å; F56-H113 AromaticContact CE1-CE1 3.55Å; F56-H113 AromaticContact CE1-ND1 3.63Å; F56-H113 AromaticContact CZ-CE1 3.9Å
57	W	97.9	Very high	95	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.015	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.8	169.2	-72.2	-112.1	0	0	0	109.4	L38 C40 V55 L65 N66 F88 L95 Q109 C110	L38-W57 PolarHBondContact O-NE1 3.27Å; C40-W57 HydrophobicContact CB-CZ2 3.98Å; V55-W57 HydrophobicContact CB-CZ3 4.26Å; V55-W57 HydrophobicContact CG1-CE3 4.09Å; V55-W57 HydrophobicContact CG1-CH2 3.5Å; V55-W57 VanDerWaalsContact CG1-CH2 3.5Å; V55-W57 HydrophobicContact CG1-CZ2 4.38Å; V55-W57 HydrophobicContact CG1-CZ3 3.36Å; W57-L65 HydrophobicContact CB-CB 4.09Å; W57-L65 HydrophobicContact CB-CD2 4.38Å; W57-L65 PolarHBondContact O-N 3.03Å; W57-N66 HydrophobicContact CE3-CB 4.46Å; W57-N66 PolarHBondContact N-O 3.28Å; W57-N66 VanDerWaalsContact N-O 3.13Å; W57-F88 AromaticContact CH2-CD2 3.47Å; W57-F88 HydrophobicContact CH2-CD2 3.47Å; W57-F88 VanDerWaalsContact CH2-CD2 3.47Å; W57-F88 AromaticContact CH2-CE2 3.5Å; W57-F88 HydrophobicContact CH2-CE2 3.5Å; W57-F88 VanDerWaalsContact CH2-CE2 3.5Å; W57-F88 HydrophobicContact CZ2-CD2 4.41Å; W57-F88 HydrophobicContact CZ2-CE2 4.42Å; W57-F88 AromaticContact CZ3-CD2 3.89Å; W57-F88 HydrophobicContact CZ3-CD2 3.89Å; W57-F88 HydrophobicContact CZ3-CE2 4.22Å; W57-L95 HydrophobicContact CB-CD2 3.73Å; W57-L95 HydrophobicContact CD2-CB 3.57Å; W57-L95 HydrophobicContact CD2-CD2 3.83Å; W57-L95 HydrophobicContact CD2-CG 4.21Å; W57-L95 VanDerWaalsContact CE2-CB 3.43Å; W57-L95 HydrophobicContact CE3-CB 3.93Å; W57-L95 HydrophobicContact CE3-CD1 4.2Å; W57-L95 HydrophobicContact CE3-CD2 4.06Å; W57-L95 HydrophobicContact CE3-CG 4.31Å; W57-L95 HydrophobicContact CG-CB 4Å; W57-L95 HydrophobicContact CG-CD2 3.67Å; W57-L95 HydrophobicContact CG-CG 4.45Å; W57-L95 HydrophobicContact CH2-CB 4.18Å; W57-L95 HydrophobicContact CZ2-CB 3.78Å; W57-L95 HydrophobicContact CZ3-CB 4.21Å; W57-L95 HydrophobicContact CZ3-CD1 4.37Å; W57-Q109 WeakPolarHBondContact CA-O 3.39Å; W57-C110 HydrophobicContact CD2-CB 4.42Å; W57-C110 HydrophobicContact CG-CB 4.41Å; W57-C110 HydrophobicContact CZ2-CB 4.44Å
58	Q	97.5	Very high	95.4	Very high	26 Å²	26	37.5 Å²	37.5	12%	0.121	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	153	172.9	62.8	178.4	14.7	0	0	111	N62 L63 Y108 Q109	Q58-N62 PolarHBondContact NE2-OD1 3.44Å; Q58-L63 VanDerWaalsContact CA-O 3.28Å; Q58-L63 WeakPolarHBondContact CA-O 3.39Å; Q58-Y108 CarbonylContact O-C 3.53Å; Q58-Y108 WeakPolarHBondContact O-CA 3.34Å; Q58-Q109 HydrophobicContact CG-CB 4.23Å; Q58-Q109 PolarHBondContact N-O 3.09Å; Q58-Q109 PolarHBondContact O-N 2.76Å
59	N	96.8	Very high	95.7	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.043	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	178.4	169.1	81.4	-18.3	0	0	0	111.3	E61 N62 L63 L65 L107 Y108	N59-E61 PolarHBondContact ND2-OE2 3.01Å; N59-E61 PolarHBondContact O-N 2.85Å; N59-E61 VanDerWaalsContact O-N 3.12Å; N59-E61 WeakPolarHBondContact OD1-CA 3.44Å; N59-E61 WeakPolarHBondContact OD1-CB 3.35Å; N59-E61 PolarHBondContact OD1-N 3.03Å; N59-N62 WeakPolarHBondContact O-CA 3.3Å; N59-N62 PolarHBondContact O-N 2.99Å; N59-N62 PolarHBondContact OD1-N 2.98Å; N59-L63 PolarHBondContact N-O 2.83Å; N59-L63 VanDerWaalsContact OD1-CB 3.3Å; N59-L63 WeakPolarHBondContact OD1-CB 3.47Å; N59-L63 PolarHBondContact OD1-N 2.83Å; N59-L65 HydrophobicContact CB-CD1 4.3Å; N59-L107 CarbonylContact C-O 3.5Å; N59-L107 WeakPolarHBondContact CA-O 3.34Å; N59-Y108 HydrophobicContact CB-CD1 3.86Å; N59-Y108 HydrophobicContact CB-CE1 3.6Å
60	Q	93.2	Very high	95.8	Very high	107 Å²	107	39 Å²	39	50%	0.5	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-20.5	175.2	69.1	-157.9	10.6	0	0	115.9	L107	Q60-L107 HydrophobicContact CB-CB 4.15Å; Q60-L107 PolarHBondContact N-O 2.88Å
61	E	94.9	Very high	95.7	Very high	112 Å²	112	39 Å²	39	52%	0.523	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	0.3	176.1	-66.8	139.7	-160.5	0	0	112.2	N59 L63	N59-E61 PolarHBondContact ND2-OE2 3.01Å; N59-E61 PolarHBondContact O-N 2.85Å; N59-E61 VanDerWaalsContact O-N 3.12Å; N59-E61 WeakPolarHBondContact OD1-CA 3.44Å; N59-E61 WeakPolarHBondContact OD1-CB 3.35Å; N59-E61 PolarHBondContact OD1-N 3.03Å; E61-L63 VanDerWaalsContact C-N 3.27Å; E61-L63 HydrophobicContact CB-CD1 4.47Å; E61-L63 HydrophobicContact CB-CG 4Å; E61-L63 WeakPolarHBondContact OE2-CD1 3.42Å
62	N	94.7	Very high	95.6	Very high	105 Å²	105	45.3 Å²	45.3	56%	0.561	22%	0.218	S	C	*	.			trans	65.9	22.3	-170.8	-43.6	-91.3	0	0	0	114.1	Q58 N59 V64	Q58-N62 PolarHBondContact NE2-OD1 3.44Å; N59-N62 WeakPolarHBondContact O-CA 3.3Å; N59-N62 PolarHBondContact O-N 2.99Å; N59-N62 PolarHBondContact OD1-N 2.98Å; N62-V64 PolarHBondContact O-N 2.88Å
63	L	96.6	Very high	95.5	Very high	43 Å²	43	45 Å²	45	23%	0.225	22%	0.217	C	C	.	.			trans	-72.1	122.1	167.9	-52.5	-179.3	0	0	0	108.6	Q58 N59 E61 L65 H79 Y82	Q58-L63 VanDerWaalsContact CA-O 3.28Å; Q58-L63 WeakPolarHBondContact CA-O 3.39Å; N59-L63 PolarHBondContact N-O 2.83Å; N59-L63 VanDerWaalsContact OD1-CB 3.3Å; N59-L63 WeakPolarHBondContact OD1-CB 3.47Å; N59-L63 PolarHBondContact OD1-N 2.83Å; E61-L63 VanDerWaalsContact C-N 3.27Å; E61-L63 HydrophobicContact CB-CD1 4.47Å; E61-L63 HydrophobicContact CB-CG 4Å; E61-L63 WeakPolarHBondContact OE2-CD1 3.42Å; L63-L65 WeakPolarHBondContact O-CD1 3.5Å; L63-H79 HydrophobicContact CB-CB 4.03Å; L63-Y82 HydrophobicContact CB-CE2 4.15Å
64	V	97.1	Very high	95.3	Very high	28 Å²	28	48.4 Å²	48.4	17%	0.17	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	128.6	-179.4	179	0	0	0	0	110.5	N62 S77 V78 H79	N62-V64 PolarHBondContact O-N 2.88Å; V64-S77 WeakPolarHBondContact CB-O 3.28Å; V64-V78 HydrophobicContact CG1-CG2 4.45Å; V64-H79 PolarHBondContact O-N 3.37Å
65	L	97.6	Very high	95.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-39.6	175.7	-77.1	68.9	0	0	0	111.7	L38 W57 N59 L63 V78 Y82 T86 L95 Y108	L38-L65 HydrophobicContact CD1-CD2 3.76Å; W57-L65 HydrophobicContact CB-CB 4.09Å; W57-L65 HydrophobicContact CB-CD2 4.38Å; W57-L65 PolarHBondContact O-N 3.03Å; N59-L65 HydrophobicContact CB-CD1 4.3Å; L63-L65 WeakPolarHBondContact O-CD1 3.5Å; L65-V78 WeakPolarHBondContact O-CG1 3.33Å; L65-Y82 HydrophobicContact CB-CD2 4.28Å; L65-Y82 HydrophobicContact CB-CG 4.26Å; L65-Y82 HydrophobicContact CD1-CD2 3.93Å; L65-Y82 HydrophobicContact CD1-CE2 3.65Å; L65-Y82 HydrophobicContact CD1-CG 4.49Å; L65-Y82 HydrophobicContact CG-CD1 3.99Å; L65-Y82 HydrophobicContact CG-CD2 3.74Å; L65-Y82 HydrophobicContact CG-CE1 4.11Å; L65-Y82 HydrophobicContact CG-CE2 3.85Å; L65-Y82 HydrophobicContact CG-CG 3.81Å; L65-T86 HydrophobicContact CB-CG2 4.28Å; L65-T86 WeakPolarHBondContact O-CG2 3.48Å; L65-T86 PolarHBondContact O-OG1 3.19Å; L65-T86 VanDerWaalsContact O-OG1 3.11Å; L65-L95 HydrophobicContact CB-CD2 3.84Å; L65-L95 HydrophobicContact CD2-CD2 4.09Å; L65-Y108 HydrophobicContact CD1-CD1 3.85Å; L65-Y108 HydrophobicContact CD1-CE1 3.82Å; L65-Y108 HydrophobicContact CD2-CD1 3.66Å; L65-Y108 HydrophobicContact CD2-CE1 3.64Å; L65-Y108 HydrophobicContact CG-CD1 4.39Å; L65-Y108 HydrophobicContact CG-CE1 4.21Å
66	N	97.4	Very high	94.9	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	141.9	-172.2	-175.7	-82.9	0	0	0	109.2	F56 W57 V68 E73 T86 L95	F56-N66 VanDerWaalsContact CA-O 3.24Å; F56-N66 WeakPolarHBondContact CA-O 3.23Å; F56-N66 VanDerWaalsContact CB-O 3.3Å; F56-N66 WeakPolarHBondContact CB-O 3.49Å; W57-N66 HydrophobicContact CE3-CB 4.46Å; W57-N66 PolarHBondContact N-O 3.28Å; W57-N66 VanDerWaalsContact N-O 3.13Å; N66-V68 WeakPolarHBondContact OD1-CG2 3.47Å; N66-E73 PolarHBondContact ND2-OE1 3.09Å; N66-T86 PolarHBondContact ND2-OG1 2.93Å; N66-L95 HydrophobicContact CB-CD1 3.43Å; N66-L95 VanDerWaalsContact CB-CD1 3.43Å; N66-L95 HydrophobicContact CB-CD2 3.63Å; N66-L95 HydrophobicContact CB-CG 4.2Å
67	E	96.4	Very high	94.7	Very high	24 Å²	24	59.7 Å²	59.7	11%	0.112	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.9	170.2	-175.8	-168.5	162.4	0	0	109.3	V54 V55 F56 Y69 E73 K74 S77	V54-E67 HydrophobicContact CG1-CG 4.41Å; V55-E67 CarbonylContact O-C 3.58Å; F56-E67 HydrophobicContact CB-CB 4.44Å; E67-Y69 VanDerWaalsContact OE1-CD2 3.26Å; E67-Y69 WeakPolarHBondContact OE1-CD2 3.37Å; E67-E73 CarbonylContact O-C 3.58Å; E67-E73 WeakPolarHBondContact O-CA 3.47Å; E67-K74 HydrophobicContact CB-CB 4.15Å; E67-K74 HydrophobicContact CG-CB 4.3Å; E67-K74 PolarHBondContact O-N 3Å; E67-S77 WeakPolarHBondContact OE2-CB 3.3Å; E67-S77 PolarHBondContact OE2-OG 2.91Å
68	V	96.1	Very high	94.6	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	100.8	171	-169.9	0	0	0	0	108.1	L50 V54 V55 N66 R72 E73 F88	L50-V68 HydrophobicContact CD1-CG1 4.3Å; L50-V68 HydrophobicContact CD2-CG1 4.09Å; L50-V68 HydrophobicContact CG-CG1 4.25Å; V54-V68 WeakPolarHBondContact CA-O 3.24Å; V55-V68 HydrophobicContact CB-CB 4.14Å; V55-V68 HydrophobicContact CB-CG2 4.44Å; V55-V68 PolarHBondContact N-O 3.12Å; V55-V68 PolarHBondContact O-N 2.88Å; N66-V68 WeakPolarHBondContact OD1-CG2 3.47Å; V68-R72 CarbonylContact C-O 3.52Å; V68-R72 WeakPolarHBondContact CA-O 3.04Å; V68-E73 HydrophobicContact CG2-CG 4.26Å; V68-F88 HydrophobicContact CB-CD1 4.45Å; V68-F88 HydrophobicContact CG1-CD1 4.17Å; V68-F88 HydrophobicContact CG1-CE1 4.23Å; V68-F88 HydrophobicContact CG2-CB 4.06Å; V68-F88 HydrophobicContact CG2-CD1 3.55Å; V68-F88 HydrophobicContact CG2-CD2 4.49Å; V68-F88 HydrophobicContact CG2-CE1 4.07Å; V68-F88 HydrophobicContact CG2-CG 3.78Å
69	Y	95.6	Very high	94.6	Very high	74 Å²	74	62.4 Å²	62.4	29%	0.29	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	107.2	-177.2	-168	-87.6	0	0	0	110.8	V54 E67 G71 R72 K74 K115	V54-Y69 HydrophobicContact CB-CD2 4.39Å; V54-Y69 HydrophobicContact CG1-CD2 3.86Å; V54-Y69 HydrophobicContact CG2-CD2 3.58Å; V54-Y69 HydrophobicContact CG2-CE2 3.73Å; V54-Y69 HydrophobicContact CG2-CG 4.26Å; E67-Y69 VanDerWaalsContact OE1-CD2 3.26Å; E67-Y69 WeakPolarHBondContact OE1-CD2 3.37Å; Y69-G71 VanDerWaalsContact C-N 3.33Å; Y69-G71 PolarHBondContact O-N 3.25Å; Y69-R72 PolarHBondContact N-O 3.36Å; Y69-R72 PolarHBondContact O-N 3.29Å; Y69-K74 HydrophobicContact CG-CD 4.11Å; Y69-K115 PolarHBondContact OH-NZ 2.85Å
70	L	94.7	Very high	94.5	Very high	49 Å²	49	66.6 Å²	66.6	26%	0.257	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	47.6	176.1	-48.7	176.8	0	0	0	112.7	L50 S51 L53 V54 K115	L50-L70 CarbonylContact O-C 3.59Å; L50-L70 WeakPolarHBondContact O-CA 3.27Å; S51-L70 WeakPolarHBondContact O-CD2 3.01Å; L53-L70 WeakPolarHBondContact O-CA 3.42Å; L53-L70 PolarHBondContact O-N 3.34Å; V54-L70 HydrophobicContact CG2-CD2 4.27Å; L70-K115 HydrophobicContact CD1-CD 3.76Å; L70-K115 HydrophobicContact CD2-CB 3.91Å; L70-K115 HydrophobicContact CD2-CD 3.68Å; L70-K115 HydrophobicContact CD2-CG 4.43Å; L70-K115 HydrophobicContact CG-CD 4.24Å
71	G	90.5	Very high	94.6	Very high	37 Å²	37	64.3 Å²	64.3	38%	0.381	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	15.2	177.7	0	0	0	0	0	115.5	L50 Y69	L50-G71 PolarHBondContact O-N 2.85Å; Y69-G71 VanDerWaalsContact C-N 3.33Å; Y69-G71 PolarHBondContact O-N 3.25Å
72	R	92.4	Very high	94.7	Very high	201 Å²	201	59 Å²	59	76%	0.758	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	133.3	174.7	-62.7	-178.8	-179.3	-112.5	-3.1	110.5	V68 Y69	V68-R72 CarbonylContact C-O 3.52Å; V68-R72 WeakPolarHBondContact CA-O 3.04Å; Y69-R72 PolarHBondContact N-O 3.36Å; Y69-R72 PolarHBondContact O-N 3.29Å
73	E	92.1	Very high	94.8	Very high	77 Å²	77	58.2 Å²	58.2	36%	0.36	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	140.9	169.3	-71.6	-176.8	126.2	0	0	110.7	N66 E67 V68 F75 F88	N66-E73 PolarHBondContact ND2-OE1 3.09Å; E67-E73 CarbonylContact O-C 3.58Å; E67-E73 WeakPolarHBondContact O-CA 3.47Å; V68-E73 HydrophobicContact CG2-CG 4.26Å; E73-F75 HydrophobicContact CB-CE1 4.47Å; E73-F75 HydrophobicContact CB-CE2 4.29Å; E73-F75 HydrophobicContact CB-CZ 3.87Å; E73-F88 WeakPolarHBondContact OE1-CB 3.4Å; E73-F88 PolarHBondContact OE1-N 2.75Å
74	K	93.3	Very high	94.7	Very high	71 Å²	71	59.8 Å²	59.8	31%	0.309	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.2	-179.5	-115.1	-177.4	171.9	-81	0	108.6	E67 Y69 D76 V78	E67-K74 HydrophobicContact CB-CB 4.15Å; E67-K74 HydrophobicContact CG-CB 4.3Å; E67-K74 PolarHBondContact O-N 3Å; Y69-K74 HydrophobicContact CG-CD 4.11Å; K74-D76 IonicContact NZ-OD2 3.74Å; K74-D76 PolarHBondContact NZ-OD2 3.19Å; K74-V78 WeakPolarHBondContact O-CG2 3.4Å
75	F	92.4	Very high	94.7	Very high	96 Å²	96	59.8 Å²	59.8	42%	0.421	32%	0.318	S	S	.	.			trans	-104.1	-16.8	-178.6	-55.4	-72.1	0	0	0	112.6	E73 S77 V78 M83	E73-F75 HydrophobicContact CB-CE1 4.47Å; E73-F75 HydrophobicContact CB-CE2 4.29Å; E73-F75 HydrophobicContact CB-CZ 3.87Å; F75-S77 PolarHBondContact O-N 3.33Å; F75-S77 VanDerWaalsContact O-N 3.1Å; F75-V78 PolarHBondContact O-N 2.79Å; F75-M83 HydrophobicContact CB-CE 4.25Å; F75-M83 HydrophobicContact CB-SD 4.05Å; F75-M83 HydrophobicContact CD1-SD 4.29Å; F75-M83 WeakPolarHBondContact O-CE 3.48Å
76	D	91.1	Very high	94.6	Very high	131 Å²	131	60.6 Å²	60.6	70%	0.701	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-34.2	-179.2	-43.3	-39.4	0	0	0	113.4	K74	K74-D76 IonicContact NZ-OD2 3.74Å; K74-D76 PolarHBondContact NZ-OD2 3.19Å
77	S	90.2	Very high	94.6	Very high	59 Å²	59	62.6 Å²	62.6	41%	0.413	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-11.7	-178.5	-47.7	0	0	0	0	113.6	V64 E67 F75	V64-S77 WeakPolarHBondContact CB-O 3.28Å; E67-S77 WeakPolarHBondContact OE2-CB 3.3Å; E67-S77 PolarHBondContact OE2-OG 2.91Å; F75-S77 PolarHBondContact O-N 3.33Å; F75-S77 VanDerWaalsContact O-N 3.1Å
78	V	95.6	Very high	94.6	Very high	12 Å²	12	62.9 Å²	62.9	7%	0.073	34%	0.338	C	S	.	.			trans	-78.4	128.9	-169.3	172.7	0	0	0	0	110.6	V64 L65 K74 F75 M83	V64-V78 HydrophobicContact CG1-CG2 4.45Å; L65-V78 WeakPolarHBondContact O-CG1 3.33Å; K74-V78 WeakPolarHBondContact O-CG2 3.4Å; F75-V78 PolarHBondContact O-N 2.79Å; V78-M83 HydrophobicContact CB-CE 4.04Å; V78-M83 HydrophobicContact CG1-CE 4.26Å
79	H	97.4	Very high	94.5	Very high	74 Å²	74	64.1 Å²	64.1	34%	0.343	35%	0.345	S	S	.	.			trans	-69.3	141.7	-179.8	-171.7	-102.7	0	0	0	111.3	L63 V64 K81 Y82 M83	L63-H79 HydrophobicContact CB-CB 4.03Å; V64-H79 PolarHBondContact O-N 3.37Å; H79-K81 WeakPolarHBondContact ND1-CB 3.26Å; H79-K81 PolarHBondContact ND1-N 2.92Å; H79-K81 PolarHBondContact O-N 2.84Å; H79-Y82 HydrophobicContact CB-CD2 4.38Å; H79-Y82 PolarHBondContact O-N 2.84Å; H79-M83 PolarHBondContact O-N 2.63Å
80	S	95.9	Very high	94.4	Very high	96 Å²	96	63.8 Å²	63.8	67%	0.671	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-32.8	-173.7	56.2	0	0	0	0	114.2	Y82 M83	S80-Y82 PolarHBondContact O-N 3.11Å; S80-M83 PolarHBondContact O-N 3.39Å
81	K	95.4	Very high	94.2	Very high	60 Å²	60	70.1 Å²	70.1	26%	0.261	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-29.6	173.8	-172.5	-176.1	178.1	-152.2	0	114.1	H79 R85 K103 D104	H79-K81 WeakPolarHBondContact ND1-CB 3.26Å; H79-K81 PolarHBondContact ND1-N 2.92Å; H79-K81 PolarHBondContact O-N 2.84Å; K81-R85 WeakPolarHBondContact O-CD 3.41Å; K81-R85 PolarHBondContact O-NH1 2.89Å; K81-K103 PolarHBondContact NZ-O 3.07Å; K81-D104 WeakPolarHBondContact CE-OD1 3.35Å; K81-D104 IonicContact NZ-OD1 3.45Å; K81-D104 PolarHBondContact NZ-OD1 2.84Å; K81-D104 VanDerWaalsContact NZ-OD1 3.09Å
82	Y	96.8	Very high	94.4	Very high	0 Å²	0	71 Å²	71	0%	0	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-6	-173.7	-55.2	-62.5	0	0	0	113.3	L63 L65 H79 S80 G84 R85 L97 D104 Y108	L63-Y82 HydrophobicContact CB-CE2 4.15Å; L65-Y82 HydrophobicContact CB-CD2 4.28Å; L65-Y82 HydrophobicContact CB-CG 4.26Å; L65-Y82 HydrophobicContact CD1-CD2 3.93Å; L65-Y82 HydrophobicContact CD1-CE2 3.65Å; L65-Y82 HydrophobicContact CD1-CG 4.49Å; L65-Y82 HydrophobicContact CG-CD1 3.99Å; L65-Y82 HydrophobicContact CG-CD2 3.74Å; L65-Y82 HydrophobicContact CG-CE1 4.11Å; L65-Y82 HydrophobicContact CG-CE2 3.85Å; L65-Y82 HydrophobicContact CG-CG 3.81Å; H79-Y82 HydrophobicContact CB-CD2 4.38Å; H79-Y82 PolarHBondContact O-N 2.84Å; S80-Y82 PolarHBondContact O-N 3.11Å; Y82-G84 PolarHBondContact O-N 3.24Å; Y82-R85 WeakPolarHBondContact O-CB 3.48Å; Y82-R85 PolarHBondContact O-N 2.95Å; Y82-L97 HydrophobicContact CD1-CD1 3.89Å; Y82-L97 HydrophobicContact CE1-CD1 4.44Å; Y82-L97 HydrophobicContact CE1-CD2 4.35Å; Y82-D104 WeakPolarHBondContact CE1-OD1 3.43Å; Y82-Y108 PolarHBondContact OH-OH 2.99Å
83	M	95.4	Very high	94.5	Very high	89 Å²	89	62.9 Å²	62.9	44%	0.438	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	125.9	178.9	-172.6	64.1	71	0	0	111.1	F75 V78 H79 S80 R85	F75-M83 HydrophobicContact CB-CE 4.25Å; F75-M83 HydrophobicContact CB-SD 4.05Å; F75-M83 HydrophobicContact CD1-SD 4.29Å; F75-M83 WeakPolarHBondContact O-CE 3.48Å; V78-M83 HydrophobicContact CB-CE 4.04Å; V78-M83 HydrophobicContact CG1-CE 4.26Å; H79-M83 PolarHBondContact O-N 2.63Å; S80-M83 PolarHBondContact O-N 3.39Å; M83-R85 PolarHBondContact O-N 2.75Å
84	G	94.6	Very high	94.8	Very high	76 Å²	76	59.6 Å²	59.6	78%	0.784	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	5.9	-177.5	0	0	0	0	0	115.4	Y82	Y82-G84 PolarHBondContact O-N 3.24Å
85	R	97.1	Very high	95	Very high	27 Å²	27	56.2 Å²	56.2	10%	0.102	32%	0.321	C	S	.	.	S	Bend	trans	-108.3	1.8	179.4	-64.7	177.8	61.8	-144.8	1.1	113.6	K81 Y82 M83 L97 H98 N99 D104	K81-R85 WeakPolarHBondContact O-CD 3.41Å; K81-R85 PolarHBondContact O-NH1 2.89Å; Y82-R85 WeakPolarHBondContact O-CB 3.48Å; Y82-R85 PolarHBondContact O-N 2.95Å; M83-R85 PolarHBondContact O-N 2.75Å; R85-L97 HydrophobicContact CB-CD1 4.2Å; R85-H98 PolarHBondContact NE-O 3.03Å; R85-H98 PolarHBondContact NH2-O 3.13Å; R85-H98 PolarHBondContact O-CD2 2.67Å; R85-H98 PolarHBondContact O-N 2.85Å; R85-N99 PolarHBondContact NH2-O 3.37Å; R85-D104 IonicContact CZ-OD2 2.61Å; R85-D104 IonicContact NH1-OD1 3.3Å; R85-D104 PolarHBondContact NH1-OD1 2.83Å; R85-D104 IonicContact NH1-OD2 3.45Å; R85-D104 PolarHBondContact NH1-OD2 2.79Å; R85-D104 IonicContact NH2-OD2 2.85Å; R85-D104 PolarHBondContact NH2-OD2 2.8Å
86	T	97	Very high	95.3	Very high	17 Å²	17	55.4 Å²	55.4	10%	0.104	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.8	-176	61.7	0	0	0	0	112.8	L65 N66 L95 R96 L97	L65-T86 HydrophobicContact CB-CG2 4.28Å; L65-T86 WeakPolarHBondContact O-CG2 3.48Å; L65-T86 PolarHBondContact O-OG1 3.19Å; L65-T86 VanDerWaalsContact O-OG1 3.11Å; N66-T86 PolarHBondContact ND2-OG1 2.93Å; T86-L95 HydrophobicContact CG2-CD2 4.17Å; T86-R96 VanDerWaalsContact CA-O 3.23Å; T86-R96 WeakPolarHBondContact CA-O 3.31Å; T86-L97 HydrophobicContact CG2-CD1 4.01Å
87	S	96.2	Very high	95.6	Very high	43 Å²	43	49.2 Å²	49.2	30%	0.301	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	136.3	167.6	62.1	0	0	0	0	111.5	R96 H98	S87-R96 PolarHBondContact N-O 2.67Å; S87-R96 PolarHBondContact O-N 2.03Å; S87-H98 PolarHBondContact OG-NE2 3.08Å
88	F	96.1	Very high	96	Very high	29 Å²	29	49.1 Å²	49.1	13%	0.127	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	131.4	179.4	174.3	-123.1	0	0	0	113.2	L50 W57 V68 E73 P90 W93 T94 L95	L50-F88 HydrophobicContact CD1-CE1 3.99Å; L50-F88 HydrophobicContact CD1-CZ 4.3Å; L50-F88 HydrophobicContact CD2-CE1 3.9Å; W57-F88 AromaticContact CH2-CD2 3.47Å; W57-F88 HydrophobicContact CH2-CD2 3.47Å; W57-F88 VanDerWaalsContact CH2-CD2 3.47Å; W57-F88 AromaticContact CH2-CE2 3.5Å; W57-F88 HydrophobicContact CH2-CE2 3.5Å; W57-F88 VanDerWaalsContact CH2-CE2 3.5Å; W57-F88 HydrophobicContact CZ2-CD2 4.41Å; W57-F88 HydrophobicContact CZ2-CE2 4.42Å; W57-F88 AromaticContact CZ3-CD2 3.89Å; W57-F88 HydrophobicContact CZ3-CD2 3.89Å; W57-F88 HydrophobicContact CZ3-CE2 4.22Å; V68-F88 HydrophobicContact CB-CD1 4.45Å; V68-F88 HydrophobicContact CG1-CD1 4.17Å; V68-F88 HydrophobicContact CG1-CE1 4.23Å; V68-F88 HydrophobicContact CG2-CB 4.06Å; V68-F88 HydrophobicContact CG2-CD1 3.55Å; V68-F88 HydrophobicContact CG2-CD2 4.49Å; V68-F88 HydrophobicContact CG2-CE1 4.07Å; V68-F88 HydrophobicContact CG2-CG 3.78Å; E73-F88 WeakPolarHBondContact OE1-CB 3.4Å; E73-F88 PolarHBondContact OE1-N 2.75Å; F88-P90 HydrophobicContact CD1-CB 4.35Å; F88-P90 HydrophobicContact CE1-CB 3.68Å; F88-P90 HydrophobicContact CZ-CB 4.05Å; F88-W93 HydrophobicContact CZ-CE3 4.11Å; F88-W93 HydrophobicContact CZ-CZ3 4.46Å; F88-T94 WeakPolarHBondContact CD2-O 3.49Å; F88-L95 HydrophobicContact CB-CD1 4.18Å
89	D	95.4	Very high	96.1	Very high	28 Å²	28	52.5 Å²	52.5	15%	0.15	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	107.1	170.5	178.7	-17.4	0	0	0	110	E91 S92 W93 T94 R96	D89-E91 VanDerWaalsContact C-N 3.34Å; D89-E91 PolarHBondContact OD1-N 3.15Å; D89-S92 PolarHBondContact OD1-N 2.84Å; D89-S92 PolarHBondContact OD1-OG 2.94Å; D89-S92 PolarHBondContact OD2-OG 3.5Å; D89-W93 VanDerWaalsContact O-CA 3.27Å; D89-W93 WeakPolarHBondContact O-CA 3.48Å; D89-W93 PolarHBondContact O-N 3.02Å; D89-T94 WeakPolarHBondContact CB-O 3.5Å; D89-T94 PolarHBondContact N-O 3.08Å; D89-T94 PolarHBondContact O-N 3.43Å; D89-T94 VanDerWaalsContact O-N 3.11Å; D89-R96 IonicContact OD2-CZ 2.67Å; D89-R96 IonicContact OD2-NH1 3.09Å; D89-R96 IonicContact OD2-NH2 3.61Å; D89-R96 PolarHBondContact OD2-NH2 2.89Å
90	P	92.6	Very high	96.2	Very high	68 Å²	68	49 Å²	49	44%	0.442	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-12.7	-178	33	-36.6	0	0	0	114.4	L50 F88	L50-P90 HydrophobicContact CD2-CB 4.26Å; F88-P90 HydrophobicContact CD1-CB 4.35Å; F88-P90 HydrophobicContact CE1-CB 3.68Å; F88-P90 HydrophobicContact CZ-CB 4.05Å
91	E	91.5	Very high	96.2	Very high	181 Å²	181	47.8 Å²	47.8	85%	0.846	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-45.4	178.2	-62	-171.8	179.3	0	0	110.1	D89	D89-E91 VanDerWaalsContact C-N 3.34Å; D89-E91 PolarHBondContact OD1-N 3.15Å
92	S	94.3	Very high	96.3	Very high	57 Å²	57	44.9 Å²	44.9	40%	0.399	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-8.2	177.8	70.4	0	0	0	0	114.5	D89 T94	D89-S92 PolarHBondContact OD1-N 2.84Å; D89-S92 PolarHBondContact OD1-OG 2.94Å; D89-S92 PolarHBondContact OD2-OG 3.5Å; S92-T94 VanDerWaalsContact C-N 3.33Å; S92-T94 PolarHBondContact O-OG1 2.87Å; S92-T94 WeakPolarHBondContact OG-CB 3.48Å; S92-T94 PolarHBondContact OG-OG1 3.42Å
93	W	95	Very high	96.3	Very high	30 Å²	30	48.7 Å²	48.7	11%	0.114	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	43.2	-171.4	-60.7	80.1	0	0	0	112.8	C40 F42 N44 L50 L53 V55 F88 D89 I112	C40-W93 HydrophobicContact CB-CB 4.27Å; C40-W93 WeakPolarHBondContact CB-O 3.27Å; C40-W93 PolarHBondContact N-O 3.05Å; F42-W93 HydrophobicContact CB-CB 4.46Å; F42-W93 HydrophobicContact CB-CD2 4.37Å; F42-W93 HydrophobicContact CB-CG 4.31Å; F42-W93 AromaticContact CD1-CD2 3.81Å; F42-W93 HydrophobicContact CD1-CD2 3.81Å; F42-W93 AromaticContact CD1-CE2 3.93Å; F42-W93 AromaticContact CD1-CE3 3.79Å; F42-W93 HydrophobicContact CD1-CE3 3.79Å; F42-W93 HydrophobicContact CD1-CH2 4.06Å; F42-W93 HydrophobicContact CD1-CZ2 4.07Å; F42-W93 AromaticContact CD1-CZ3 3.91Å; F42-W93 HydrophobicContact CD1-CZ3 3.91Å; F42-W93 HydrophobicContact CE1-CH2 4.12Å; F42-W93 HydrophobicContact CE1-CZ2 4.28Å; F42-W93 HydrophobicContact CE1-CZ3 4.26Å; N44-W93 HydrophobicContact CB-CZ2 4.34Å; L50-W93 HydrophobicContact CD1-CH2 3.78Å; L50-W93 HydrophobicContact CD1-CZ3 3.7Å; L53-W93 HydrophobicContact CD1-CH2 3.67Å; L53-W93 HydrophobicContact CD1-CZ3 3.94Å; V55-W93 HydrophobicContact CG2-CZ3 4.11Å; F88-W93 HydrophobicContact CZ-CE3 4.11Å; F88-W93 HydrophobicContact CZ-CZ3 4.46Å; D89-W93 VanDerWaalsContact O-CA 3.27Å; D89-W93 WeakPolarHBondContact O-CA 3.48Å; D89-W93 PolarHBondContact O-N 3.02Å; W93-I112 HydrophobicContact CE3-CD1 4.08Å; W93-I112 HydrophobicContact CZ3-CD1 4.29Å
94	T	97.1	Very high	96.4	Very high	8 Å²	8	44.4 Å²	44.4	5%	0.049	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.6	-173.3	-56.7	0	0	0	0	110.7	D37 P39 F88 D89 S92	D37-T94 HydrophobicContact CB-CG2 3.67Å; P39-T94 HydrophobicContact CB-CG2 4.45Å; F88-T94 WeakPolarHBondContact CD2-O 3.49Å; D89-T94 WeakPolarHBondContact CB-O 3.5Å; D89-T94 PolarHBondContact N-O 3.08Å; D89-T94 PolarHBondContact O-N 3.43Å; D89-T94 VanDerWaalsContact O-N 3.11Å; S92-T94 VanDerWaalsContact C-N 3.33Å; S92-T94 PolarHBondContact O-OG1 2.87Å; S92-T94 WeakPolarHBondContact OG-CB 3.48Å; S92-T94 PolarHBondContact OG-OG1 3.42Å
95	L	97.9	Very high	96.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	125.7	165.7	-172.4	76.1	0	0	0	109.5	L38 W57 L65 N66 T86 F88	L38-L95 HydrophobicContact CB-CB 4.46Å; L38-L95 WeakPolarHBondContact CB-O 3.4Å; L38-L95 PolarHBondContact N-O 2.62Å; L38-L95 PolarHBondContact O-N 3.16Å; W57-L95 HydrophobicContact CB-CD2 3.73Å; W57-L95 HydrophobicContact CD2-CB 3.57Å; W57-L95 HydrophobicContact CD2-CD2 3.83Å; W57-L95 HydrophobicContact CD2-CG 4.21Å; W57-L95 VanDerWaalsContact CE2-CB 3.43Å; W57-L95 HydrophobicContact CE3-CB 3.93Å; W57-L95 HydrophobicContact CE3-CD1 4.2Å; W57-L95 HydrophobicContact CE3-CD2 4.06Å; W57-L95 HydrophobicContact CE3-CG 4.31Å; W57-L95 HydrophobicContact CG-CB 4Å; W57-L95 HydrophobicContact CG-CD2 3.67Å; W57-L95 HydrophobicContact CG-CG 4.45Å; W57-L95 HydrophobicContact CH2-CB 4.18Å; W57-L95 HydrophobicContact CZ2-CB 3.78Å; W57-L95 HydrophobicContact CZ3-CB 4.21Å; W57-L95 HydrophobicContact CZ3-CD1 4.37Å; L65-L95 HydrophobicContact CB-CD2 3.84Å; L65-L95 HydrophobicContact CD2-CD2 4.09Å; N66-L95 HydrophobicContact CB-CD1 3.43Å; N66-L95 VanDerWaalsContact CB-CD1 3.43Å; N66-L95 HydrophobicContact CB-CD2 3.63Å; N66-L95 HydrophobicContact CB-CG 4.2Å; T86-L95 HydrophobicContact CG2-CD2 4.17Å; F88-L95 HydrophobicContact CB-CD1 4.18Å
96	R	98.3	Very high	96.5	Very high	79 Å²	79	44.1 Å²	44.1	30%	0.298	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	129.7	171.8	-53.8	-149.7	164.8	86.4	14.2	109.4	T35 A36 D37 T86 S87 D89	T35-R96 HydrophobicContact CG2-CB 3.77Å; T35-R96 HydrophobicContact CG2-CG 4.49Å; A36-R96 WeakPolarHBondContact O-CA 3.32Å; D37-R96 WeakPolarHBondContact OD1-CD 3.37Å; D37-R96 WeakPolarHBondContact OD1-CG 3.43Å; D37-R96 IonicContact OD1-NE 2.69Å; D37-R96 PolarHBondContact OD1-NE 2.92Å; D37-R96 VanDerWaalsContact OD1-NE 3.08Å; D37-R96 IonicContact OD2-NE 3.08Å; D37-R96 PolarHBondContact OD2-NE 2.84Å; D37-R96 IonicContact OD2-NH2 2.67Å; T86-R96 VanDerWaalsContact CA-O 3.23Å; T86-R96 WeakPolarHBondContact CA-O 3.31Å; S87-R96 PolarHBondContact N-O 2.67Å; S87-R96 PolarHBondContact O-N 2.03Å; D89-R96 IonicContact OD2-CZ 2.67Å; D89-R96 IonicContact OD2-NH1 3.09Å; D89-R96 IonicContact OD2-NH2 3.61Å; D89-R96 PolarHBondContact OD2-NH2 2.89Å
97	L	98.6	Very high	96.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	109.2	172.8	173.7	60.2	0	0	0	109.2	T35 A36 L38 Y82 R85 T86 L100 D104 L130	T35-L97 CarbonylContact C-O 3.53Å; T35-L97 VanDerWaalsContact CA-O 3.28Å; T35-L97 WeakPolarHBondContact CA-O 3.43Å; A36-L97 PolarHBondContact N-O 2.97Å; A36-L97 PolarHBondContact O-N 2.83Å; L38-L97 HydrophobicContact CD1-CB 4.49Å; Y82-L97 HydrophobicContact CD1-CD1 3.89Å; Y82-L97 HydrophobicContact CE1-CD1 4.44Å; Y82-L97 HydrophobicContact CE1-CD2 4.35Å; R85-L97 HydrophobicContact CB-CD1 4.2Å; T86-L97 HydrophobicContact CG2-CD1 4.01Å; L97-L100 HydrophobicContact CD2-CD1 3.9Å; L97-L100 HydrophobicContact CG-CD1 4.19Å; L97-D104 HydrophobicContact CD2-CB 4.16Å; L97-L130 HydrophobicContact CD2-CD2 4.48Å
98	H	98.4	Very high	96.6	Very high	58 Å²	58	45.4 Å²	45.4	27%	0.269	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	158.9	-172.5	-53.4	-64.8	0	0	0	113.3	T35 R85 S87	T35-H98 VanDerWaalsContact CG2-ND1 3.31Å; T35-H98 WeakPolarHBondContact CG2-ND1 3.48Å; T35-H98 PolarHBondContact OG1-ND1 2.81Å; R85-H98 PolarHBondContact NE-O 3.03Å; R85-H98 PolarHBondContact NH2-O 3.13Å; R85-H98 PolarHBondContact O-CD2 2.67Å; R85-H98 PolarHBondContact O-N 2.85Å; S87-H98 PolarHBondContact OG-NE2 3.08Å
99	N	97.8	Very high	96.7	Very high	82 Å²	82	46 Å²	46	44%	0.439	23%	0.231	S	C	.	.	S	Bend	trans	54.2	54.9	179.9	-174.8	37	0	0	0	110.3	N33 E34 R85	N33-N99 PolarHBondContact OD1-OD1 2.87Å; E34-N99 PolarHBondContact O-N 2.85Å; R85-N99 PolarHBondContact NH2-O 3.37Å
100	L	97.9	Very high	96.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.225	C	C	.	.			trans	-66.9	129.4	-165.8	-173.7	65	0	0	0	112.5	A30 F32 N33 E34 A36 L97 D104 L130 V132	A30-L100 HydrophobicContact CB-CD2 3.58Å; F32-L100 CarbonylContact C-O 3.5Å; F32-L100 WeakPolarHBondContact CA-O 3.18Å; F32-L100 WeakPolarHBondContact CD2-O 3.21Å; N33-L100 PolarHBondContact N-O 2.77Å; E34-L100 PolarHBondContact O-N 2.75Å; E34-L100 VanDerWaalsContact O-N 3.09Å; A36-L100 HydrophobicContact CB-CD1 4.25Å; A36-L100 HydrophobicContact CB-CD2 3.96Å; L97-L100 HydrophobicContact CD2-CD1 3.9Å; L97-L100 HydrophobicContact CG-CD1 4.19Å; L100-D104 HydrophobicContact CD1-CB 3.67Å; L100-L130 HydrophobicContact CD1-CD2 3.89Å; L100-V132 HydrophobicContact CD1-CG2 4.23Å; L100-V132 HydrophobicContact CD2-CB 4.45Å; L100-V132 HydrophobicContact CD2-CG1 3.87Å; L100-V132 HydrophobicContact CD2-CG2 3.95Å; L100-V132 HydrophobicContact CG-CG1 3.95Å; L100-V132 HydrophobicContact CG-CG2 4Å
101	Q	97.3	Very high	97	Very high	71 Å²	71	42 Å²	42	33%	0.332	21%	0.206	S	C	.	.			trans	-105.2	153.9	179.9	-58.1	176.7	4.8	0	0	110.2	K103 D104	Q101-K103 PolarHBondContact O-N 3.39Å; Q101-K103 VanDerWaalsContact O-N 3.16Å; Q101-D104 WeakPolarHBondContact CB-OD2 3.23Å; Q101-D104 PolarHBondContact N-OD2 3.4Å; Q101-D104 WeakPolarHBondContact O-CB 3.12Å; Q101-D104 PolarHBondContact O-N 3.04Å
102	I	97.8	Very high	97.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-57	-33.8	173.3	-53.1	-53.6	0	0	0	110.9	F32 D104 K105 V132 Y163 T194 E195 L196	F32-I102 HydrophobicContact CB-CD1 4.12Å; F32-I102 HydrophobicContact CD2-CD1 3.84Å; F32-I102 HydrophobicContact CD2-CG1 3.9Å; F32-I102 HydrophobicContact CE2-CG1 4.36Å; F32-I102 HydrophobicContact CG-CD1 4.33Å; I102-D104 PolarHBondContact O-N 2.97Å; I102-D104 VanDerWaalsContact O-N 3.08Å; I102-K105 HydrophobicContact CG2-CD 4.05Å; I102-K105 WeakPolarHBondContact O-CB 3.37Å; I102-K105 WeakPolarHBondContact O-CD 3.21Å; I102-K105 WeakPolarHBondContact O-CG 3.14Å; I102-K105 PolarHBondContact O-N 3Å; I102-V132 HydrophobicContact CD1-CB 4.29Å; I102-V132 HydrophobicContact CD1-CG1 3.74Å; I102-Y163 HydrophobicContact CD1-CD1 3.93Å; I102-Y163 HydrophobicContact CD1-CD2 4.44Å; I102-Y163 HydrophobicContact CD1-CG 3.79Å; I102-Y163 HydrophobicContact CG1-CD2 4.37Å; I102-Y163 HydrophobicContact CG1-CG 4.2Å; I102-Y163 HydrophobicContact CG2-CD1 3.87Å; I102-Y163 HydrophobicContact CG2-CD2 3.82Å; I102-Y163 HydrophobicContact CG2-CE1 3.64Å; I102-Y163 HydrophobicContact CG2-CE2 3.56Å; I102-Y163 HydrophobicContact CG2-CG 3.98Å; I102-Y163 VanDerWaalsContact CG2-CZ 3.48Å; I102-T194 WeakPolarHBondContact CB-O 3.29Å; I102-T194 WeakPolarHBondContact CG1-O 3.42Å; I102-E195 HydrophobicContact CB-CB 3.94Å; I102-E195 HydrophobicContact CG1-CB 4.38Å; I102-E195 HydrophobicContact CG2-CB 3.85Å; I102-E195 WeakPolarHBondContact CG2-OE2 3.17Å; I102-L196 HydrophobicContact CD1-CD2 3.95Å; I102-L196 HydrophobicContact CG1-CD2 3.93Å
103	K	95.9	Very high	97.3	Very high	79 Å²	79	32.3 Å²	32.3	34%	0.343	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-65	-1.4	172.8	-72.5	166.9	177.8	155.5	0	115.1	K81 Q101 N192 V193 E195	K81-K103 PolarHBondContact NZ-O 3.07Å; Q101-K103 PolarHBondContact O-N 3.39Å; Q101-K103 VanDerWaalsContact O-N 3.16Å; K103-N192 PolarHBondContact NZ-O 2.75Å; K103-V193 PolarHBondContact NZ-O 2.83Å; K103-E195 HydrophobicContact CD-CG 4.39Å; K103-E195 WeakPolarHBondContact CE-OE1 3.34Å; K103-E195 HydrophobicContact CG-CG 4.11Å; K103-E195 WeakPolarHBondContact CG-OE1 3.38Å
104	D	97.3	Very high	97.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-98.6	0.9	170.7	-59.9	-51.1	0	0	0	113.2	K81 Y82 R85 L97 L100 Q101 I102 Y108	K81-D104 WeakPolarHBondContact CE-OD1 3.35Å; K81-D104 IonicContact NZ-OD1 3.45Å; K81-D104 PolarHBondContact NZ-OD1 2.84Å; K81-D104 VanDerWaalsContact NZ-OD1 3.09Å; Y82-D104 WeakPolarHBondContact CE1-OD1 3.43Å; R85-D104 IonicContact CZ-OD2 2.61Å; R85-D104 IonicContact NH1-OD1 3.3Å; R85-D104 PolarHBondContact NH1-OD1 2.83Å; R85-D104 IonicContact NH1-OD2 3.45Å; R85-D104 PolarHBondContact NH1-OD2 2.79Å; R85-D104 IonicContact NH2-OD2 2.85Å; R85-D104 PolarHBondContact NH2-OD2 2.8Å; L97-D104 HydrophobicContact CD2-CB 4.16Å; L100-D104 HydrophobicContact CD1-CB 3.67Å; Q101-D104 WeakPolarHBondContact CB-OD2 3.23Å; Q101-D104 PolarHBondContact N-OD2 3.4Å; Q101-D104 WeakPolarHBondContact O-CB 3.12Å; Q101-D104 PolarHBondContact O-N 3.04Å; I102-D104 PolarHBondContact O-N 2.97Å; I102-D104 VanDerWaalsContact O-N 3.08Å; D104-Y108 VanDerWaalsContact O-CE2 3.23Å; D104-Y108 WeakPolarHBondContact O-CE2 3.34Å; D104-Y108 PolarHBondContact O-OH 2.83Å
105	K	97.3	Very high	97.2	Very high	79 Å²	79	35.8 Å²	35.8	34%	0.343	17%	0.17	S	C	.	.			trans	-60.8	143.5	169.6	72.7	-158.9	174.3	-153.8	0	111.5	I102 L130 V132 Y163 E195	I102-K105 HydrophobicContact CG2-CD 4.05Å; I102-K105 WeakPolarHBondContact O-CB 3.37Å; I102-K105 WeakPolarHBondContact O-CD 3.21Å; I102-K105 WeakPolarHBondContact O-CG 3.14Å; I102-K105 PolarHBondContact O-N 3Å; K105-L130 CarbonylContact C-O 3.48Å; K105-L130 VanDerWaalsContact CA-O 3.29Å; K105-L130 WeakPolarHBondContact CA-O 3.44Å; K105-V132 HydrophobicContact CB-CG2 4.09Å; K105-Y163 HydrophobicContact CD-CE1 4.46Å; K105-Y163 PolarHBondContact NZ-OH 2.86Å; K105-E195 IonicContact NZ-OE2 3.37Å; K105-E195 PolarHBondContact NZ-OE2 2.91Å
106	G	97.2	Very high	96.8	Very high	18 Å²	18	41.4 Å²	41.4	19%	0.186	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.6	-166.2	174.9	0	0	0	0	0	114.9	Y108 L130	G106-Y108 WeakPolarHBondContact O-CD2 3.43Å; G106-L130 PolarHBondContact N-O 3.16Å; G106-L130 PolarHBondContact O-N 2.8Å
107	L	97.9	Very high	96.3	Very high	79 Å²	79	44.5 Å²	44.5	41%	0.414	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	138.2	-178.8	-64.4	171.5	0	0	0	112.1	P25 N59 Q60 S128 E129	P25-L107 HydrophobicContact CB-CD2 4.19Å; P25-L107 HydrophobicContact CG-CD2 4.13Å; N59-L107 CarbonylContact C-O 3.5Å; N59-L107 WeakPolarHBondContact CA-O 3.34Å; Q60-L107 HydrophobicContact CB-CB 4.15Å; Q60-L107 PolarHBondContact N-O 2.88Å; L107-S128 WeakPolarHBondContact CA-O 3.02Å; L107-E129 HydrophobicContact CD2-CB 3.73Å; L107-E129 HydrophobicContact CD2-CG 3.9Å
108	Y	97.9	Very high	95.9	Very high	8 Å²	8	50.5 Å²	50.5	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154.1	176.6	-68	-86.7	0	0	0	110.9	L38 Q58 N59 L65 Y82 D104 G106 N127 S128 L130	L38-Y108 HydrophobicContact CD1-CD1 4.35Å; L38-Y108 HydrophobicContact CD1-CG 4.32Å; Q58-Y108 CarbonylContact O-C 3.53Å; Q58-Y108 WeakPolarHBondContact O-CA 3.34Å; N59-Y108 HydrophobicContact CB-CD1 3.86Å; N59-Y108 HydrophobicContact CB-CE1 3.6Å; L65-Y108 HydrophobicContact CD1-CD1 3.85Å; L65-Y108 HydrophobicContact CD1-CE1 3.82Å; L65-Y108 HydrophobicContact CD2-CD1 3.66Å; L65-Y108 HydrophobicContact CD2-CE1 3.64Å; L65-Y108 HydrophobicContact CG-CD1 4.39Å; L65-Y108 HydrophobicContact CG-CE1 4.21Å; Y82-Y108 PolarHBondContact OH-OH 2.99Å; D104-Y108 VanDerWaalsContact O-CE2 3.23Å; D104-Y108 WeakPolarHBondContact O-CE2 3.34Å; D104-Y108 PolarHBondContact O-OH 2.83Å; G106-Y108 WeakPolarHBondContact O-CD2 3.43Å; Y108-N127 CarbonylContact O-C 3.59Å; Y108-N127 WeakPolarHBondContact O-CA 3.06Å; Y108-S128 PolarHBondContact N-O 2.83Å; Y108-S128 PolarHBondContact O-N 3.03Å; Y108-L130 HydrophobicContact CD2-CB 3.93Å; Y108-L130 HydrophobicContact CE2-CB 3.82Å; Y108-L130 HydrophobicContact CE2-CD2 4.02Å
109	Q	97.3	Very high	95.6	Very high	41 Å²	41	49.4 Å²	49.4	19%	0.192	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	121.9	-178.8	-178.6	170.5	94.6	0	0	110.7	W57 Q58 I111 Q125 M126 N127	W57-Q109 WeakPolarHBondContact CA-O 3.39Å; Q58-Q109 HydrophobicContact CG-CB 4.23Å; Q58-Q109 PolarHBondContact N-O 3.09Å; Q58-Q109 PolarHBondContact O-N 2.76Å; Q109-I111 HydrophobicContact CG-CD1 4.3Å; Q109-I111 HydrophobicContact CG-CG1 3.86Å; Q109-I111 VanDerWaalsContact OE1-CD1 3.3Å; Q109-Q125 HydrophobicContact CG-CG 3.89Å; Q109-Q125 VanDerWaalsContact NE2-NE2 3.13Å; Q109-M126 CarbonylContact C-O 3.37Å; Q109-M126 WeakPolarHBondContact CA-O 3.43Å; Q109-N127 PolarHBondContact NE2-OD1 2.89Å
110	C	97.4	Very high	95.4	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.02	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	137.2	163.3	-178.9	0	0	0	0	109.3	C40 W57 Q125 M126	C40-C110 HydrophobicContact CB-CB 3.76Å; C40-C110 WeakPolarHBondContact CB-SG 3.34Å; C40-C110 WeakPolarHBondContact SG-CB 3.44Å; C40-C110 CovalentContact SG-SG 2.03Å; C40-C110 PolarHBondContact SG-SG 2.91Å; W57-C110 HydrophobicContact CD2-CB 4.42Å; W57-C110 HydrophobicContact CG-CB 4.41Å; W57-C110 HydrophobicContact CZ2-CB 4.44Å; C110-Q125 WeakPolarHBondContact O-CA 3.44Å; C110-M126 PolarHBondContact N-O 2.78Å; C110-M126 PolarHBondContact O-N 2.97Å
111	I	96.6	Very high	95.3	Very high	10 Å²	10	54.1 Å²	54.1	5%	0.051	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.3	172.1	-43.8	-172	0	0	0	109.8	V55 F56 Q109 H113 R122 Q125	V55-I111 WeakPolarHBondContact CA-O 3.28Å; F56-I111 HydrophobicContact CD2-CB 4.48Å; F56-I111 HydrophobicContact CD2-CG1 4.49Å; F56-I111 HydrophobicContact CE1-CB 4.3Å; F56-I111 HydrophobicContact CE2-CB 4.11Å; F56-I111 HydrophobicContact CE2-CD1 3.61Å; F56-I111 HydrophobicContact CE2-CG1 3.96Å; F56-I111 HydrophobicContact CZ-CB 4.02Å; F56-I111 HydrophobicContact CZ-CD1 3.76Å; F56-I111 HydrophobicContact CZ-CG1 4.23Å; F56-I111 HydrophobicContact CZ-CG2 4.47Å; F56-I111 PolarHBondContact N-O 3.33Å; F56-I111 PolarHBondContact O-N 2.77Å; Q109-I111 HydrophobicContact CG-CD1 4.3Å; Q109-I111 HydrophobicContact CG-CG1 3.86Å; Q109-I111 VanDerWaalsContact OE1-CD1 3.3Å; I111-H113 WeakPolarHBondContact CG2-CE1 3.2Å; I111-R122 VanDerWaalsContact CG2-CD 3.43Å; I111-R122 HydrophobicContact CG2-CG 3.68Å; I111-Q125 HydrophobicContact CG1-CG 4.44Å
112	I	96.9	Very high	95.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.1	171.9	-53.4	176.6	0	0	0	109.7	F42 L53 V55 W93 I123 H124	F42-I112 HydrophobicContact CB-CD1 3.45Å; F42-I112 VanDerWaalsContact CB-CD1 3.45Å; F42-I112 HydrophobicContact CD1-CD1 3.44Å; F42-I112 VanDerWaalsContact CD1-CD1 3.44Å; F42-I112 HydrophobicContact CD2-CD1 3.78Å; F42-I112 HydrophobicContact CE1-CD1 4.05Å; F42-I112 HydrophobicContact CE2-CD1 4.36Å; F42-I112 HydrophobicContact CG-CD1 3.27Å; F42-I112 HydrophobicContact CZ-CD1 4.47Å; L53-I112 HydrophobicContact CB-CG2 4.32Å; L53-I112 HydrophobicContact CD1-CG2 4.11Å; L53-I112 HydrophobicContact CD2-CG2 4.03Å; L53-I112 HydrophobicContact CG-CG2 4.38Å; V55-I112 HydrophobicContact CB-CG1 4.48Å; V55-I112 HydrophobicContact CG1-CG1 3.95Å; V55-I112 HydrophobicContact CG2-CG1 4.13Å; V55-I112 HydrophobicContact CG2-CG2 4.27Å; W93-I112 HydrophobicContact CE3-CD1 4.08Å; W93-I112 HydrophobicContact CZ3-CD1 4.29Å; I112-I123 HydrophobicContact CB-CG1 4.21Å; I112-I123 HydrophobicContact CG2-CD1 3.84Å; I112-I123 HydrophobicContact CG2-CG1 3.85Å; I112-I123 WeakPolarHBondContact O-CG1 3.21Å; I112-I123 PolarHBondContact O-N 2.81Å; I112-H124 HydrophobicContact CB-CB 4.06Å; I112-H124 HydrophobicContact CD1-CB 4.24Å; I112-H124 HydrophobicContact CG1-CB 4.34Å; I112-H124 PolarHBondContact N-O 2.92Å; I112-H124 PolarHBondContact O-N 2.86Å
113	H	96.3	Very high	95.1	Very high	34 Å²	34	60.2 Å²	60.2	16%	0.157	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	141.5	168.9	-62.8	82.1	0	0	0	110.7	L53 V54 F56 I111 M120 I121 R122	L53-H113 CarbonylContact C-O 3.55Å; L53-H113 VanDerWaalsContact CA-O 3.27Å; L53-H113 WeakPolarHBondContact CA-O 3.38Å; V54-H113 HydrophobicContact CB-CB 4.42Å; V54-H113 PolarHBondContact N-O 2.83Å; V54-H113 PolarHBondContact O-N 2.81Å; F56-H113 AromaticContact CE1-CE1 3.55Å; F56-H113 AromaticContact CE1-ND1 3.63Å; F56-H113 AromaticContact CZ-CE1 3.9Å; I111-H113 WeakPolarHBondContact CG2-CE1 3.2Å; H113-M120 HydrophobicContact CB-CB 4.19Å; H113-I121 CarbonylContact C-O 3.6Å; H113-I121 VanDerWaalsContact CA-O 3.26Å; H113-I121 WeakPolarHBondContact CA-O 3.15Å; H113-R122 PolarHBondContact CD2-N 2.85Å
114	H	95.3	Very high	95	Very high	28 Å²	28	58.6 Å²	58.6	13%	0.13	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	120.2	163.7	180	167.8	0	0	0	107.7	L53 R116 I121 I123	L53-H114 HydrophobicContact CD2-CB 4.22Å; H114-R116 PolarHBondContact O-N 3.38Å; H114-I121 PolarHBondContact N-O 2.76Å; H114-I121 PolarHBondContact O-N 3.25Å; H114-I123 HydrophobicContact CB-CD1 4.24Å; H114-I123 HydrophobicContact CB-CG1 4.37Å; H114-I123 HydrophobicContact CB-CG2 3.75Å
115	K	93.6	Very high	94.9	Very high	83 Å²	83	62 Å²	62	36%	0.361	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	106.7	174.4	-175.1	-179.2	-179.5	177.1	0	110	E52 Y69 L70 M120	E52-K115 PolarHBondContact O-N 2.88Å; Y69-K115 PolarHBondContact OH-NZ 2.85Å; L70-K115 HydrophobicContact CD1-CD 3.76Å; L70-K115 HydrophobicContact CD2-CB 3.91Å; L70-K115 HydrophobicContact CD2-CD 3.68Å; L70-K115 HydrophobicContact CD2-CG 4.43Å; L70-K115 HydrophobicContact CG-CD 4.24Å; K115-M120 HydrophobicContact CB-CG 4.5Å; K115-M120 HydrophobicContact CG-CG 4.46Å
116	R	89.6	Confident	94.8	Very high	117 Å²	117	59.7 Å²	59.7	44%	0.442	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	164.8	172.2	-65.6	-170.1	-179.9	179.9	-2.1	110.7	H114 T118 G119	H114-R116 PolarHBondContact O-N 3.38Å; R116-T118 PolarHBondContact O-N 2.93Å; R116-T118 VanDerWaalsContact O-N 3.15Å; R116-G119 PolarHBondContact N-O 3.34Å; R116-G119 PolarHBondContact O-N 2.94Å; R116-G119 VanDerWaalsContact O-O 3.14Å
117	P	88.3	Confident	94.8	Very high	145 Å²	145	61.7 Å²	61.7	94%	0.942	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-27	170.5	-26.1	35.7	0	0	0	113.5	G119	P117-G119 VanDerWaalsContact C-N 3.31Å; P117-G119 PolarHBondContact O-N 2.87Å
118	T	90.8	Very high	94.7	Very high	125 Å²	125	58.2 Å²	58.2	77%	0.767	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	3.9	177.1	59.9	0	0	0	0	114.2	R116	R116-T118 PolarHBondContact O-N 2.93Å; R116-T118 VanDerWaalsContact O-N 3.15Å
119	G	91.8	Very high	94.7	Very high	36 Å²	36	60.6 Å²	60.6	37%	0.371	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	115.6	-174.7	-176.2	0	0	0	0	0	114.1	R116 P117	R116-G119 PolarHBondContact N-O 3.34Å; R116-G119 PolarHBondContact O-N 2.94Å; R116-G119 VanDerWaalsContact O-O 3.14Å; P117-G119 VanDerWaalsContact C-N 3.31Å; P117-G119 PolarHBondContact O-N 2.87Å
120	M	93.7	Very high	94.8	Very high	111 Å²	111	58.8 Å²	58.8	55%	0.547	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	131.7	-179.9	-64.7	-170.3	-64.5	0	0	111	V54 H113 K115	V54-M120 HydrophobicContact CB-SD 4.39Å; V54-M120 HydrophobicContact CG2-SD 4Å; H113-M120 HydrophobicContact CB-CB 4.19Å; K115-M120 HydrophobicContact CB-CG 4.5Å; K115-M120 HydrophobicContact CG-CG 4.46Å
121	I	94.6	Very high	94.8	Very high	70 Å²	70	61 Å²	61	36%	0.359	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.9	177.2	-56.7	-178.5	0	0	0	108.4	H113 H114 I123	H113-I121 CarbonylContact C-O 3.6Å; H113-I121 VanDerWaalsContact CA-O 3.26Å; H113-I121 WeakPolarHBondContact CA-O 3.15Å; H114-I121 PolarHBondContact N-O 2.76Å; H114-I121 PolarHBondContact O-N 3.25Å; I121-I123 PolarHBondContact O-N 2.98Å
122	R	95.3	Very high	94.9	Very high	146 Å²	146	60.8 Å²	60.8	55%	0.551	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	118.5	173.2	-174.3	170	65.5	-168.9	0.2	109.2	I111 H113 Q125	I111-R122 VanDerWaalsContact CG2-CD 3.43Å; I111-R122 HydrophobicContact CG2-CG 3.68Å; H113-R122 PolarHBondContact CD2-N 2.85Å; R122-Q125 VanDerWaalsContact CZ-OE1 3.23Å
123	I	95.4	Very high	94.9	Very high	52 Å²	52	61.7 Å²	61.7	27%	0.267	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-18	-178.9	55.4	158	0	0	0	113.3	F42 L53 I112 H114 I121	F42-I123 HydrophobicContact CE2-CD1 4.08Å; F42-I123 HydrophobicContact CZ-CD1 3.79Å; L53-I123 HydrophobicContact CD2-CD1 3.77Å; I112-I123 HydrophobicContact CB-CG1 4.21Å; I112-I123 HydrophobicContact CG2-CD1 3.84Å; I112-I123 HydrophobicContact CG2-CG1 3.85Å; I112-I123 WeakPolarHBondContact O-CG1 3.21Å; I112-I123 PolarHBondContact O-N 2.81Å; H114-I123 HydrophobicContact CB-CD1 4.24Å; H114-I123 HydrophobicContact CB-CG1 4.37Å; H114-I123 HydrophobicContact CB-CG2 3.75Å; I121-I123 PolarHBondContact O-N 2.98Å
124	H	95.4	Very high	94.9	Very high	45 Å²	45	60.6 Å²	60.6	21%	0.208	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	151.7	178.1	-171.2	72.2	0	0	0	110.5	C40 F42 I112	C40-H124 PolarHBondContact O-NE2 3.39Å; F42-H124 HydrophobicContact CD2-CB 3.68Å; F42-H124 AromaticContact CD2-CG 3.65Å; F42-H124 HydrophobicContact CE2-CB 4.02Å; I112-H124 HydrophobicContact CB-CB 4.06Å; I112-H124 HydrophobicContact CD1-CB 4.24Å; I112-H124 HydrophobicContact CG1-CB 4.34Å; I112-H124 PolarHBondContact N-O 2.92Å; I112-H124 PolarHBondContact O-N 2.86Å
125	Q	95.4	Very high	94.9	Very high	71 Å²	71	65 Å²	65	33%	0.332	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	135.8	172.5	-176.3	-173.3	-55.3	0	0	108	Q109 C110 I111 R122	Q109-Q125 HydrophobicContact CG-CG 3.89Å; Q109-Q125 VanDerWaalsContact NE2-NE2 3.13Å; C110-Q125 WeakPolarHBondContact O-CA 3.44Å; I111-Q125 HydrophobicContact CG1-CG 4.44Å; R122-Q125 VanDerWaalsContact CZ-OE1 3.23Å
126	M	95.2	Very high	95.1	Very high	31 Å²	31	61.8 Å²	61.8	15%	0.153	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.4	174.6	-173.4	58.5	-174.1	0	0	110.3	L26 C40 Q41 Q109 C110	L26-M126 HydrophobicContact CB-CE 3.8Å; C40-M126 WeakPolarHBondContact O-CB 3.48Å; Q41-M126 HydrophobicContact CB-CG 4.47Å; Q109-M126 CarbonylContact C-O 3.37Å; Q109-M126 WeakPolarHBondContact CA-O 3.43Å; C110-M126 PolarHBondContact N-O 2.78Å; C110-M126 PolarHBondContact O-N 2.97Å
127	N	96.1	Very high	95.5	Very high	60 Å²	60	58.2 Å²	58.2	32%	0.321	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	139.7	175.9	-64	-12.3	0	0	0	109.5	P25 L26 Y108 Q109	P25-N127 WeakPolarHBondContact CA-O 3.13Å; P25-N127 HydrophobicContact CB-CB 4.11Å; L26-N127 PolarHBondContact N-O 2.8Å; Y108-N127 CarbonylContact O-C 3.59Å; Y108-N127 WeakPolarHBondContact O-CA 3.06Å; Q109-N127 PolarHBondContact NE2-OD1 2.89Å
128	S	97	Very high	95.9	Very high	7 Å²	7	56.9 Å²	56.9	5%	0.049	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.3	174.5	-60.1	0	0	0	0	110.7	L26 L107 Y108	L26-S128 CarbonylContact O-C 3.58Å; L26-S128 VanDerWaalsContact O-CA 3.26Å; L26-S128 WeakPolarHBondContact O-CA 3.14Å; L107-S128 WeakPolarHBondContact CA-O 3.02Å; Y108-S128 PolarHBondContact N-O 2.83Å; Y108-S128 PolarHBondContact O-N 3.03Å
129	E	98	Very high	96.3	Very high	58 Å²	58	51.1 Å²	51.1	27%	0.271	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	110.9	177.9	-174.9	-177.9	-174.2	0	0	108	P25 L26 K27 I28 L107	P25-E129 HydrophobicContact CB-CB 4.17Å; P25-E129 HydrophobicContact CG-CB 4.21Å; L26-E129 PolarHBondContact O-N 2.89Å; K27-E129 HydrophobicContact CG-CB 4.5Å; K27-E129 VanDerWaalsContact NZ-CD 3.33Å; K27-E129 IonicContact NZ-OE1 2.64Å; K27-E129 PolarHBondContact NZ-OE1 2.84Å; K27-E129 IonicContact NZ-OE2 3.62Å; K27-E129 PolarHBondContact NZ-OE2 2.89Å; I28-E129 PolarHBondContact N-O 3.04Å; L107-E129 HydrophobicContact CD2-CB 3.73Å; L107-E129 HydrophobicContact CD2-CG 3.9Å
130	L	98.3	Very high	96.5	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	116.1	-179.3	-179.4	59.1	0	0	0	110	I28 A30 A36 L38 L97 L100 K105 G106 Y108 V132	I28-L130 HydrophobicContact CB-CD1 4.08Å; I28-L130 HydrophobicContact CG2-CD1 3.73Å; A30-L130 HydrophobicContact CB-CD1 4.38Å; A36-L130 HydrophobicContact CB-CD1 3.78Å; A36-L130 HydrophobicContact CB-CD2 3.84Å; A36-L130 HydrophobicContact CB-CG 4.5Å; L38-L130 HydrophobicContact CD2-CD2 4.4Å; L97-L130 HydrophobicContact CD2-CD2 4.48Å; L100-L130 HydrophobicContact CD1-CD2 3.89Å; K105-L130 CarbonylContact C-O 3.48Å; K105-L130 VanDerWaalsContact CA-O 3.29Å; K105-L130 WeakPolarHBondContact CA-O 3.44Å; G106-L130 PolarHBondContact N-O 3.16Å; G106-L130 PolarHBondContact O-N 2.8Å; Y108-L130 HydrophobicContact CD2-CB 3.93Å; Y108-L130 HydrophobicContact CE2-CB 3.82Å; Y108-L130 HydrophobicContact CE2-CD2 4.02Å; L130-V132 HydrophobicContact CG-CG2 4.31Å
131	S	97.6	Very high	96.7	Very high	51 Å²	51	51.3 Å²	51.3	36%	0.357	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.4	164.1	-68.7	0	0	0	0	109.4	I28 Q29 A30	I28-S131 PolarHBondContact O-N 3.01Å; Q29-S131 WeakPolarHBondContact CA-O 3.34Å; A30-S131 PolarHBondContact N-O 3.46Å
132	V	97.8	Very high	96.7	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.03	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	135	174.6	-169.2	0	0	0	0	108.9	A30 L100 I102 K105 L130 Y163	A30-V132 WeakPolarHBondContact O-CA 3.46Å; L100-V132 HydrophobicContact CD1-CG2 4.23Å; L100-V132 HydrophobicContact CD2-CB 4.45Å; L100-V132 HydrophobicContact CD2-CG1 3.87Å; L100-V132 HydrophobicContact CD2-CG2 3.95Å; L100-V132 HydrophobicContact CG-CG1 3.95Å; L100-V132 HydrophobicContact CG-CG2 4Å; I102-V132 HydrophobicContact CD1-CB 4.29Å; I102-V132 HydrophobicContact CD1-CG1 3.74Å; K105-V132 HydrophobicContact CB-CG2 4.09Å; L130-V132 HydrophobicContact CG-CG2 4.31Å; V132-Y163 WeakPolarHBondContact O-CD1 3.42Å
133	L	97.1	Very high	96.5	Very high	19 Å²	19	47 Å²	47	10%	0.099	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	155.6	179.8	-57.8	177	0	0	0	110.4	A30 Y31 F32	A30-L133 PolarHBondContact O-N 2.92Å; Y31-L133 CarbonylContact C-O 3.54Å; Y31-L133 VanDerWaalsContact CA-O 3.25Å; Y31-L133 WeakPolarHBondContact CA-O 3.41Å; Y31-L133 HydrophobicContact CD1-CB 3.67Å; Y31-L133 HydrophobicContact CE1-CB 3.76Å; Y31-L133 HydrophobicContact CE1-CD1 4.1Å; F32-L133 PolarHBondContact N-O 2.94Å
134	A	97.1	Very high	96.1	Very high	10 Å²	10	49.4 Å²	49.4	8%	0.083	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-140.1	129	165.4	0	0	0	0	0	109.1	F32 F136 G162 Y163 L196	F32-A134 HydrophobicContact CB-CB 3.94Å; A134-F136 PolarHBondContact O-N 3.34Å; A134-G162 WeakPolarHBondContact O-CA 3.43Å; A134-Y163 PolarHBondContact N-O 2.86Å; A134-Y163 PolarHBondContact O-N 3.03Å; A134-Y163 VanDerWaalsContact O-O 3.12Å; A134-L196 HydrophobicContact CB-CD2 3.44Å; A134-L196 VanDerWaalsContact CB-CD2 3.44Å
135	N	96.1	Very high	95.3	Very high	120 Å²	120	48.9 Å²	48.9	64%	0.642	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-74.5	119.4	-179.8	-67.6	-37.4	0	0	0	109.4	Y31	Y31-N135 WeakPolarHBondContact CE1-OD1 3.46Å
136	F	97.3	Very high	94.4	Very high	16 Å²	16	52.5 Å²	52.5	7%	0.07	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-50.5	143.2	167	-82.2	-77.9	0	0	0	111.3	A134 S159 P164 P166 Y197 V199 L220 T222 L227	A134-F136 PolarHBondContact O-N 3.34Å; F136-S159 WeakPolarHBondContact CB-OG 3.4Å; F136-P164 WeakPolarHBondContact CE2-O 3.35Å; F136-P166 HydrophobicContact CE1-CG 4.36Å; F136-P166 HydrophobicContact CE2-CB 4.2Å; F136-P166 HydrophobicContact CE2-CG 4.27Å; F136-P166 HydrophobicContact CZ-CB 4.26Å; F136-P166 HydrophobicContact CZ-CG 3.82Å; F136-Y197 WeakPolarHBondContact CE1-O 3.28Å; F136-V199 HydrophobicContact CD1-CG2 4.4Å; F136-V199 HydrophobicContact CE1-CG2 4.08Å; F136-L220 HydrophobicContact CB-CD2 3.81Å; F136-L220 HydrophobicContact CD1-CD2 3.75Å; F136-L220 HydrophobicContact CD2-CD2 4.08Å; F136-L220 HydrophobicContact CE1-CD2 4.42Å; F136-L220 HydrophobicContact CG-CD2 3.58Å; F136-T222 HydrophobicContact CD2-CG2 4.01Å; F136-T222 HydrophobicContact CE2-CG2 4.28Å; F136-L227 HydrophobicContact CB-CD1 3.65Å
137	S	97.3	Very high	93.6	Very high	43 Å²	43	55 Å²	55	30%	0.301	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-57.6	154.9	169.2	76.6	0	0	0	0	110.7	S159 I160	S137-S159 PolarHBondContact O-OG 3.05Å; S137-S159 WeakPolarHBondContact OG-CA 3.36Å; S137-S159 PolarHBondContact OG-OG 3.42Å; S137-I160 PolarHBondContact N-O 3.1Å; S137-I160 PolarHBondContact OG-N 2.91Å
138	Q	97.4	Very high	92.3	Very high	116 Å²	116	54.4 Å²	54.4	54%	0.542	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-54.7	133.3	167.4	-169.9	176.3	18.6	0	0	109	E140 L228	Q138-E140 PolarHBondContact O-N 2.96Å; Q138-L228 VanDerWaalsContact CG-O 3.29Å; Q138-L228 WeakPolarHBondContact CG-O 3.48Å; Q138-L228 PolarHBondContact NE2-O 2.89Å
139	P	97.8	Very high	90.7	Very high	4 Å²	4	63 Å²	63	3%	0.026	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-60	132.9	178.3	-27	35.8	0	0	0	112.2	S158 M169 C218 L220 L227 S229	P139-S158 WeakPolarHBondContact CA-O 3.4Å; P139-M169 HydrophobicContact CB-CE 4.03Å; P139-C218 HydrophobicContact CB-CB 4.04Å; P139-L220 HydrophobicContact CG-CB 3.96Å; P139-L227 HydrophobicContact CG-CB 4.24Å; P139-S229 WeakPolarHBondContact O-CA 3.26Å; P139-S229 WeakPolarHBondContact O-CB 3.39Å
140	E	97.4	Very high	89.1	Confident	127 Å²	127	66.4 Å²	66.4	59%	0.593	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.3	-179.2	-175.7	172.9	-174.7	0	0	110.8	Q138 V142 C157 S158	Q138-E140 PolarHBondContact O-N 2.96Å; E140-V142 HydrophobicContact CG-CG2 4.4Å; E140-C157 WeakPolarHBondContact O-CA 3.4Å; E140-C157 PolarHBondContact O-SG 2.96Å; E140-S158 PolarHBondContact N-O 2.92Å; E140-S158 PolarHBondContact O-N 3.01Å; E140-S158 VanDerWaalsContact O-N 3.1Å
141	I	96.7	Very high	88.2	Confident	25 Å²	25	70.3 Å²	70.3	13%	0.128	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.8	179.2	-47.2	-163.1	0	0	0	109.6	L155 I216 S229 F232	I141-L155 HydrophobicContact CG2-CB 4.35Å; I141-L155 HydrophobicContact CG2-CD1 4.38Å; I141-L155 HydrophobicContact CG2-CD2 4.21Å; I141-I216 HydrophobicContact CD1-CG2 4.1Å; I141-S229 WeakPolarHBondContact CD1-OG 3.38Å; I141-F232 HydrophobicContact CD1-CB 3.87Å; I141-F232 HydrophobicContact CG2-CB 4.4Å; I141-F232 HydrophobicContact CG2-CG 4.47Å
142	V	94.8	Very high	87.7	Confident	66 Å²	66	71.2 Å²	71.2	40%	0.4	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	108.5	176.4	-176.9	0	0	0	0	109.5	E140 I144 L155 T156	E140-V142 HydrophobicContact CG-CG2 4.4Å; V142-I144 PolarHBondContact O-N 3.32Å; V142-L155 WeakPolarHBondContact O-CA 3.4Å; V142-T156 PolarHBondContact N-O 2.9Å; V142-T156 PolarHBondContact O-N 2.82Å
143	P	91.3	Very high	87.3	Confident	60 Å²	60	71.2 Å²	71.2	39%	0.39	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	125.5	173.6	28.6	-33.2	0	0	0	110.3	I153 F232	P143-I153 HydrophobicContact CB-CD1 4.01Å; P143-F232 HydrophobicContact CB-CZ 4.38Å; P143-F232 HydrophobicContact CG-CE2 4.1Å; P143-F232 HydrophobicContact CG-CZ 4.27Å
144	I	86.6	Confident	87	Confident	102 Å²	102	72.3 Å²	72.3	52%	0.523	38%	0.378	S	S	.	.	S	Bend	trans	-84.3	-30.7	179	-46.8	169.6	0	0	0	110.3	V142 N154 T156	V142-I144 PolarHBondContact O-N 3.32Å; I144-N154 HydrophobicContact CB-CB 4.13Å; I144-N154 HydrophobicContact CD1-CB 4.34Å; I144-N154 PolarHBondContact N-O 3.37Å; I144-T156 VanDerWaalsContact CD1-OG1 3.3Å; I144-T156 WeakPolarHBondContact CD1-OG1 3.22Å
145	S	79.6	Confident	86.8	Confident	34 Å²	34	71.9 Å²	71.9	24%	0.238	38%	0.375	C	S	.	.	S	Bend	trans	-134.4	158.4	178.7	74.1	0	0	0	0	111.5	I153 N154	S145-I153 WeakPolarHBondContact O-CG1 3.29Å; S145-N154 PolarHBondContact N-O 2.86Å; S145-N154 PolarHBondContact OG-N 3.02Å
146	N	77.2	Confident	86.9	Confident	146 Å²	146	67.8 Å²	67.8	78%	0.781	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-62.3	164.7	159.8	-67.6	-10.8	0	0	0	110.3	T148	N146-T148 PolarHBondContact O-N 3.26Å
147	I	76.8	Confident	86.8	Confident	84 Å²	84	67 Å²	67	43%	0.431	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-62.4	125.6	170.8	-58.1	175.4	0	0	0	108.2	Y152 I153 F207 I234	I147-Y152 WeakPolarHBondContact CA-O 3.26Å; I147-I153 HydrophobicContact CG1-CB 4.47Å; I147-I153 HydrophobicContact CG1-CD1 4.34Å; I147-F207 HydrophobicContact CD1-CE2 4.25Å; I147-F207 HydrophobicContact CG1-CE2 4.19Å; I147-F207 HydrophobicContact CG2-CD2 4.4Å; I147-F207 HydrophobicContact CG2-CE2 4.08Å; I147-I234 HydrophobicContact CD1-CD1 4.12Å; I147-I234 HydrophobicContact CD1-CG1 4.41Å; I147-I234 HydrophobicContact CD1-CG2 3.6Å
148	T	70.1	Confident	86.9	Confident	48 Å²	48	66.6 Å²	66.6	29%	0.294	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-87.8	155.8	-178.9	-57.8	0	0	0	0	110.6	N146 N150 M151 Y152	N146-T148 PolarHBondContact O-N 3.26Å; T148-N150 PolarHBondContact O-N 2.88Å; T148-M151 PolarHBondContact O-N 2.83Å; T148-Y152 HydrophobicContact CG2-CE1 3.95Å; T148-Y152 PolarHBondContact N-O 2.87Å
149	E	63.6	Low	86.9	Confident	188 Å²	188	61.1 Å²	61.1	88%	0.879	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-33.4	176.3	-62.7	179.4	173.3	0	0	113.1	M151	E149-M151 PolarHBondContact O-N 3.18Å; E149-M151 VanDerWaalsContact O-N 3.07Å
150	N	63.4	Low	86.9	Confident	128 Å²	128	64.2 Å²	64.2	68%	0.684	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	18.4	174.1	-66.5	-5.7	0	0	0	114.3	T148 Y152	T148-N150 PolarHBondContact O-N 2.88Å; N150-Y152 HydrophobicContact CB-CD1 3.73Å; N150-Y152 HydrophobicContact CB-CE1 3.71Å; N150-Y152 PolarHBondContact O-N 3.4Å
151	M	79.8	Confident	86.9	Confident	84 Å²	84	63.4 Å²	63.4	41%	0.414	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	47.9	173.6	-65.8	158.9	28.7	0	0	113.8	T148 E149 F207 V210	T148-M151 PolarHBondContact O-N 2.83Å; E149-M151 PolarHBondContact O-N 3.18Å; E149-M151 VanDerWaalsContact O-N 3.07Å; M151-F207 HydrophobicContact CB-CB 4.48Å; M151-F207 WeakPolarHBondContact CE-O 3.23Å; M151-F207 WeakPolarHBondContact O-CD2 3.38Å; M151-F207 PolarHBondContact O-N 2.69Å; M151-V210 HydrophobicContact CE-CG2 3.34Å; M151-V210 HydrophobicContact CG-CG2 4.01Å; M151-V210 HydrophobicContact SD-CG2 3.63Å
152	Y	86.1	Confident	86.9	Confident	70 Å²	70	62.2 Å²	62.2	28%	0.275	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157.6	170.8	71.8	-97.8	0	0	0	112	I147 T148 N150 V205	I147-Y152 WeakPolarHBondContact CA-O 3.26Å; T148-Y152 HydrophobicContact CG2-CE1 3.95Å; T148-Y152 PolarHBondContact N-O 2.87Å; N150-Y152 HydrophobicContact CB-CD1 3.73Å; N150-Y152 HydrophobicContact CB-CE1 3.71Å; N150-Y152 PolarHBondContact O-N 3.4Å; Y152-V205 CarbonylContact C-O 3.58Å; Y152-V205 VanDerWaalsContact CA-O 3.23Å; Y152-V205 WeakPolarHBondContact CA-O 3.44Å; Y152-V205 WeakPolarHBondContact CB-O 3.39Å
153	I	89.2	Confident	87	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.026	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.4	169	-162.6	171.5	0	0	0	109.8	P143 S145 I147 L155 S204 V205 F207 I216 F232	P143-I153 HydrophobicContact CB-CD1 4.01Å; S145-I153 WeakPolarHBondContact O-CG1 3.29Å; I147-I153 HydrophobicContact CG1-CB 4.47Å; I147-I153 HydrophobicContact CG1-CD1 4.34Å; I153-L155 HydrophobicContact CG2-CD2 4.13Å; I153-S204 CarbonylContact O-C 3.52Å; I153-S204 WeakPolarHBondContact O-CA 3.22Å; I153-V205 HydrophobicContact CG2-CB 4.1Å; I153-V205 PolarHBondContact N-O 2.64Å; I153-V205 PolarHBondContact O-N 2.88Å; I153-F207 HydrophobicContact CB-CE2 4.16Å; I153-F207 HydrophobicContact CB-CZ 3.89Å; I153-F207 HydrophobicContact CG2-CE1 4.29Å; I153-F207 HydrophobicContact CG2-CE2 4.24Å; I153-F207 HydrophobicContact CG2-CZ 3.5Å; I153-F207 VanDerWaalsContact CG2-CZ 3.5Å; I153-I216 HydrophobicContact CG2-CD1 4.09Å; I153-F232 HydrophobicContact CD1-CE1 4Å; I153-F232 HydrophobicContact CD1-CZ 4.17Å
154	N	91.8	Very high	87.2	Confident	43 Å²	43	59.9 Å²	59.9	23%	0.23	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.6	166.5	-66.6	-26.6	0	0	0	108.3	I144 S145 L203 S204	I144-N154 HydrophobicContact CB-CB 4.13Å; I144-N154 HydrophobicContact CD1-CB 4.34Å; I144-N154 PolarHBondContact N-O 3.37Å; S145-N154 PolarHBondContact N-O 2.86Å; S145-N154 PolarHBondContact OG-N 3.02Å; N154-L203 WeakPolarHBondContact CA-O 3.44Å; N154-S204 WeakPolarHBondContact OD1-CB 3.22Å; N154-S204 PolarHBondContact OD1-OG 2.83Å
155	L	93.6	Very high	87.7	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	146	175.7	62.7	85.8	0	0	0	111.5	I141 V142 I153 V171 S202 L203 V205 I216	I141-L155 HydrophobicContact CG2-CB 4.35Å; I141-L155 HydrophobicContact CG2-CD1 4.38Å; I141-L155 HydrophobicContact CG2-CD2 4.21Å; V142-L155 WeakPolarHBondContact O-CA 3.4Å; I153-L155 HydrophobicContact CG2-CD2 4.13Å; L155-V171 HydrophobicContact CD1-CG2 4Å; L155-S202 WeakPolarHBondContact O-CA 3.45Å; L155-L203 PolarHBondContact N-O 2.99Å; L155-L203 PolarHBondContact O-N 2.84Å; L155-V205 HydrophobicContact CD2-CG2 4.03Å; L155-V205 HydrophobicContact CG-CG2 4.37Å; L155-I216 HydrophobicContact CD2-CD1 3.85Å; L155-I216 HydrophobicContact CD2-CG2 3.97Å
156	T	96.4	Very high	88.4	Confident	34 Å²	34	58.1 Å²	58.1	21%	0.209	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	144	161.8	-64	0	0	0	0	107.6	V142 I144 I201 S202	V142-T156 PolarHBondContact N-O 2.9Å; V142-T156 PolarHBondContact O-N 2.82Å; I144-T156 VanDerWaalsContact CD1-OG1 3.3Å; I144-T156 WeakPolarHBondContact CD1-OG1 3.22Å; T156-I201 CarbonylContact C-O 3.58Å; T156-I201 VanDerWaalsContact CA-O 3.31Å; T156-I201 WeakPolarHBondContact CA-O 3.25Å; T156-S202 PolarHBondContact OG1-OG 2.79Å
157	C	97.1	Very high	89.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.3	165	-147.2	0	0	0	0	110.1	E140 M169 S200 I201 C218	E140-C157 WeakPolarHBondContact O-CA 3.4Å; E140-C157 PolarHBondContact O-SG 2.96Å; C157-M169 HydrophobicContact CB-CE 3.95Å; C157-S200 CarbonylContact O-C 3.54Å; C157-S200 WeakPolarHBondContact O-CA 3.47Å; C157-S200 VanDerWaalsContact O-CB 3.23Å; C157-S200 WeakPolarHBondContact O-CB 3.38Å; C157-I201 HydrophobicContact CB-CD1 4.31Å; C157-I201 HydrophobicContact CB-CG1 3.83Å; C157-I201 PolarHBondContact N-O 2.87Å; C157-I201 PolarHBondContact O-N 2.97Å; C157-C218 HydrophobicContact CB-CB 4.03Å; C157-C218 WeakPolarHBondContact CB-SG 3.37Å; C157-C218 WeakPolarHBondContact SG-CB 3.45Å; C157-C218 CovalentContact SG-SG 2.01Å; C157-C218 PolarHBondContact SG-SG 3.07Å
158	S	97.8	Very high	90.2	Very high	34 Å²	34	56.4 Å²	56.4	24%	0.238	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	152.1	-175	48.7	0	0	0	0	112.9	P139 E140 V199	P139-S158 WeakPolarHBondContact CA-O 3.4Å; E140-S158 PolarHBondContact N-O 2.92Å; E140-S158 PolarHBondContact O-N 3.01Å; E140-S158 VanDerWaalsContact O-N 3.1Å; S158-V199 VanDerWaalsContact CA-O 3.32Å; S158-V199 WeakPolarHBondContact CA-O 3.32Å
159	S	98.1	Very high	91.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	141.6	171.3	175.3	0	0	0	0	109.3	F136 S137 V199	F136-S159 WeakPolarHBondContact CB-OG 3.4Å; S137-S159 PolarHBondContact O-OG 3.05Å; S137-S159 WeakPolarHBondContact OG-CA 3.36Å; S137-S159 PolarHBondContact OG-OG 3.42Å; S159-V199 PolarHBondContact N-O 2.99Å; S159-V199 PolarHBondContact O-N 2.94Å
160	I	97.8	Very high	93.1	Very high	69 Å²	69	45.2 Å²	45.2	35%	0.354	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	161.8	-164.4	62.2	175.2	0	0	0	113.4	S137 G162 D198	S137-I160 PolarHBondContact N-O 3.1Å; S137-I160 PolarHBondContact OG-N 2.91Å; I160-G162 PolarHBondContact O-N 2.71Å; I160-D198 WeakPolarHBondContact CA-OD1 3.45Å; I160-D198 HydrophobicContact CB-CB 4.49Å; I160-D198 VanDerWaalsContact CB-OD1 3.22Å; I160-D198 WeakPolarHBondContact CB-OD1 3.46Å; I160-D198 HydrophobicContact CG2-CB 4.08Å
161	H	96.9	Very high	94.7	Very high	110 Å²	110	39.1 Å²	39.1	51%	0.509	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	60.1	27.7	171.4	-58.2	120.3	0	0	0	116.7	L196 Y197 D198	H161-L196 HydrophobicContact CB-CD1 4.12Å; H161-Y197 PolarHBondContact N-O 3.44Å; H161-Y197 VanDerWaalsContact N-O 3.16Å; H161-D198 PolarHBondContact N-OD1 2.92Å
162	G	96.9	Very high	95.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	162	-178.1	0	0	0	0	0	115.7	A134 I160 Y197	A134-G162 WeakPolarHBondContact O-CA 3.43Å; I160-G162 PolarHBondContact O-N 2.71Å; G162-Y197 PolarHBondContact N-O 2.95Å; G162-Y197 PolarHBondContact O-N 2.9Å
163	Y	97.2	Very high	95.7	Very high	38 Å²	38	33.9 Å²	33.9	15%	0.149	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-160.5	136.7	174.2	-165.1	-89.2	0	0	0	110.7	I102 K105 V132 A134 E195 Y197	I102-Y163 HydrophobicContact CD1-CD1 3.93Å; I102-Y163 HydrophobicContact CD1-CD2 4.44Å; I102-Y163 HydrophobicContact CD1-CG 3.79Å; I102-Y163 HydrophobicContact CG1-CD2 4.37Å; I102-Y163 HydrophobicContact CG1-CG 4.2Å; I102-Y163 HydrophobicContact CG2-CD1 3.87Å; I102-Y163 HydrophobicContact CG2-CD2 3.82Å; I102-Y163 HydrophobicContact CG2-CE1 3.64Å; I102-Y163 HydrophobicContact CG2-CE2 3.56Å; I102-Y163 HydrophobicContact CG2-CG 3.98Å; I102-Y163 VanDerWaalsContact CG2-CZ 3.48Å; K105-Y163 HydrophobicContact CD-CE1 4.46Å; K105-Y163 PolarHBondContact NZ-OH 2.86Å; V132-Y163 WeakPolarHBondContact O-CD1 3.42Å; A134-Y163 PolarHBondContact N-O 2.86Å; A134-Y163 PolarHBondContact O-N 3.03Å; A134-Y163 VanDerWaalsContact O-O 3.12Å; Y163-E195 VanDerWaalsContact CD2-O 3.26Å; Y163-E195 WeakPolarHBondContact CD2-O 3.33Å; Y163-Y197 AromaticContact CD2-CD2 3.82Å; Y163-Y197 HydrophobicContact CD2-CD2 3.82Å; Y163-Y197 AromaticContact CD2-CE2 3.7Å; Y163-Y197 HydrophobicContact CD2-CE2 3.7Å; Y163-Y197 HydrophobicContact CE2-CD2 4.29Å; Y163-Y197 AromaticContact CE2-CE2 3.69Å; Y163-Y197 HydrophobicContact CE2-CE2 3.69Å
164	P	96.2	Very high	95.8	Very high	39 Å²	39	40.8 Å²	40.8	25%	0.253	20%	0.196	S	C	.	.	S	Bend	cis	-76.3	-170.4	8	34.6	-39.2	0	0	0	114	F136	F136-P164 WeakPolarHBondContact CE2-O 3.35Å
165	E	95.9	Very high	95.6	Very high	97 Å²	97	39.6 Å²	39.6	45%	0.453	19%	0.19	S	C	.	.			trans	-59.5	133.5	173.4	-164.5	179.5	148.2	0	0	111	K188 Y197	E165-K188 HydrophobicContact CG-CD 3.88Å; E165-K188 WeakPolarHBondContact OE1-CD 3.11Å; E165-K188 WeakPolarHBondContact OE1-CE 3.31Å; E165-K188 IonicContact OE1-NZ 3.4Å; E165-K188 PolarHBondContact OE1-NZ 2.82Å; E165-Y197 HydrophobicContact CB-CD2 4.37Å; E165-Y197 HydrophobicContact CB-CE1 4.23Å; E165-Y197 HydrophobicContact CB-CE2 3.76Å; E165-Y197 HydrophobicContact CG-CD1 4.47Å; E165-Y197 HydrophobicContact CG-CE1 3.97Å; E165-Y197 HydrophobicContact CG-CE2 4.38Å; E165-Y197 PolarHBondContact OE2-OH 3.32Å
166	P	95.8	Very high	95	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.019	22%	0.221	C	C	.	.			trans	-84	155.2	-178.8	32.6	-30.8	0	0	0	111.7	F136 M186 K188 V199 L220 E221 T222	F136-P166 HydrophobicContact CE1-CG 4.36Å; F136-P166 HydrophobicContact CE2-CB 4.2Å; F136-P166 HydrophobicContact CE2-CG 4.27Å; F136-P166 HydrophobicContact CZ-CB 4.26Å; F136-P166 HydrophobicContact CZ-CG 3.82Å; P166-M186 HydrophobicContact CB-CE 4.28Å; P166-M186 HydrophobicContact CG-CE 3.91Å; P166-M186 HydrophobicContact CG-SD 3.98Å; P166-M186 VanDerWaalsContact O-CE 3.31Å; P166-M186 WeakPolarHBondContact O-CE 3.23Å; P166-K188 PolarHBondContact O-NZ 2.9Å; P166-V199 HydrophobicContact CG-CB 4.49Å; P166-V199 HydrophobicContact CG-CG1 3.69Å; P166-V199 HydrophobicContact CG-CG2 4.26Å; P166-L220 HydrophobicContact CB-CD1 3.8Å; P166-L220 HydrophobicContact CB-CG 4.39Å; P166-L220 HydrophobicContact CG-CD1 4.05Å; P166-E221 WeakPolarHBondContact CB-O 3.31Å; P166-T222 HydrophobicContact CB-CG2 4.28Å
167	E	95.5	Very high	94.4	Very high	140 Å²	140	51.7 Å²	51.7	65%	0.654	25%	0.246	S	C	*	.	S	Bend	trans	-80.7	-53.9	-172.6	-57.8	-167.5	168.9	0	0	111.5	E221	E167-E221 PolarHBondContact N-O 2.96Å
168	K	95.3	Very high	93.7	Very high	53 Å²	53	54 Å²	54	23%	0.23	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	151.2	-174.2	-163.3	-167	-176.4	-168	0	110.9	E181 D183 E221	K168-E181 IonicContact NZ-OE1 2.69Å; K168-E181 PolarHBondContact NZ-OE1 2.87Å; K168-E181 IonicContact NZ-OE2 3.5Å; K168-D183 VanDerWaalsContact CE-CG 3.43Å; K168-D183 WeakPolarHBondContact CE-OD1 3.37Å; K168-D183 IonicContact NZ-OD1 2.7Å; K168-D183 PolarHBondContact NZ-OD1 2.01Å; K168-D183 IonicContact NZ-OD2 3.5Å; K168-D183 PolarHBondContact NZ-OD2 3.16Å; K168-E221 HydrophobicContact CB-CB 4.1Å; K168-E221 HydrophobicContact CB-CG 4.25Å; K168-E221 WeakPolarHBondContact CB-OE2 3.38Å; K168-E221 VanDerWaalsContact CD-OE2 3.27Å; K168-E221 WeakPolarHBondContact CD-OE2 3.32Å; K168-E221 PolarHBondContact N-O 2.81Å; K168-E221 PolarHBondContact O-N 2.84Å
169	M	97.1	Very high	93.4	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.8	161.2	-162.1	-173.5	-167.5	0	0	109.1	P139 C157 G184 M186 I201 C218 V219 L220	P139-M169 HydrophobicContact CB-CE 4.03Å; C157-M169 HydrophobicContact CB-CE 3.95Å; M169-G184 PolarHBondContact O-N 2.65Å; M169-M186 HydrophobicContact CB-CG 4.35Å; M169-M186 HydrophobicContact CB-SD 3.59Å; M169-M186 VanDerWaalsContact CB-SD 3.59Å; M169-I201 HydrophobicContact CB-CD1 4.26Å; M169-I201 HydrophobicContact CB-CG2 3.99Å; M169-I201 HydrophobicContact CG-CD1 3.84Å; M169-I201 HydrophobicContact CG-CG1 4.19Å; M169-I201 HydrophobicContact CG-CG2 4.39Å; M169-I201 HydrophobicContact SD-CD1 4.18Å; M169-I201 HydrophobicContact SD-CG1 3.86Å; M169-I201 HydrophobicContact SD-CG2 4.27Å; M169-C218 HydrophobicContact CE-CB 4.47Å; M169-V219 VanDerWaalsContact CA-O 3.28Å; M169-V219 WeakPolarHBondContact CA-O 3.36Å; M169-V219 WeakPolarHBondContact CG-O 3.17Å; M169-L220 HydrophobicContact CB-CD1 3.95Å; M169-L220 HydrophobicContact CG-CB 4.39Å; M169-L220 HydrophobicContact CG-CD1 3.98Å; M169-L220 HydrophobicContact SD-CD1 4.4Å
170	S	97	Very high	93.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	172.4	-175.7	66.5	0	0	0	0	111.7	E181 Y182 C218 V219	S170-E181 WeakPolarHBondContact CB-OE1 3.44Å; S170-E181 PolarHBondContact OG-OE1 2.86Å; S170-Y182 WeakPolarHBondContact CA-O 3.3Å; S170-C218 WeakPolarHBondContact O-CA 3.46Å; S170-V219 PolarHBondContact N-O 3.35Å; S170-V219 PolarHBondContact O-N 3.15Å
171	V	96.8	Very high	93	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.7	-178.7	-179.2	0	0	0	0	109.3	L155 E181 Y182 I201 L203 V205 I216 F217	L155-V171 HydrophobicContact CD1-CG2 4Å; V171-E181 CarbonylContact O-C 3.59Å; V171-E181 WeakPolarHBondContact O-CA 3.44Å; V171-Y182 PolarHBondContact N-O 2.98Å; V171-Y182 PolarHBondContact O-N 2.88Å; V171-I201 HydrophobicContact CG2-CD1 3.67Å; V171-L203 HydrophobicContact CB-CD1 4.36Å; V171-L203 HydrophobicContact CG2-CD1 3.82Å; V171-V205 HydrophobicContact CG1-CG2 4.02Å; V171-I216 HydrophobicContact CG1-CG2 3.36Å; V171-F217 CarbonylContact C-O 3.5Å; V171-F217 WeakPolarHBondContact CA-O 3.46Å
172	L	95.3	Very high	92.9	Very high	45 Å²	45	56.6 Å²	56.6	24%	0.236	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	112	174.8	-67.3	174.8	0	0	0	110.1	T179 E181 I216 F217 V219	L172-T179 HydrophobicContact CB-CG2 4.43Å; L172-T179 HydrophobicContact CD2-CG2 4.12Å; L172-E181 HydrophobicContact CD2-CB 3.8Å; L172-E181 HydrophobicContact CD2-CG 3.89Å; L172-I216 WeakPolarHBondContact O-CA 3.04Å; L172-F217 HydrophobicContact CB-CB 4.46Å; L172-F217 PolarHBondContact N-O 2.85Å; L172-F217 PolarHBondContact O-N 2.92Å; L172-V219 HydrophobicContact CD1-CG2 3.45Å; L172-V219 VanDerWaalsContact CD1-CG2 3.45Å; L172-V219 HydrophobicContact CG-CG2 3.61Å
173	L	92.8	Very high	92.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	113.7	165.5	179.5	66.8	0	0	0	108.8	T179 I180 Y182 V205 F207 M214 I216	L173-T179 CarbonylContact O-C 3.58Å; L173-T179 WeakPolarHBondContact O-CA 3.43Å; L173-I180 HydrophobicContact CB-CB 4.47Å; L173-I180 PolarHBondContact N-O 2.95Å; L173-I180 PolarHBondContact O-N 2.99Å; L173-Y182 HydrophobicContact CB-CD2 4.4Å; L173-Y182 HydrophobicContact CB-CE2 3.75Å; L173-Y182 HydrophobicContact CD2-CE2 4.15Å; L173-V205 HydrophobicContact CB-CG1 4.36Å; L173-V205 HydrophobicContact CD1-CG1 4.38Å; L173-V205 HydrophobicContact CD2-CG1 4.16Å; L173-F207 HydrophobicContact CD1-CD1 4.03Å; L173-F207 HydrophobicContact CD1-CE1 3.94Å; L173-F207 HydrophobicContact CD2-CD1 4Å; L173-M214 HydrophobicContact CD1-CB 3.95Å; L173-M214 HydrophobicContact CD1-CG 4.49Å; L173-M214 HydrophobicContact CD1-SD 3.96Å; L173-M214 HydrophobicContact CD2-SD 4.39Å; L173-I216 HydrophobicContact CD1-CD1 4.46Å; L173-I216 HydrophobicContact CD1-CG1 3.84Å
174	R	91	Very high	92.4	Very high	150 Å²	150	60.6 Å²	60.6	57%	0.566	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.5	177	-172.1	173	-177.3	174.5	1.5	110.8	M214 T215	R174-M214 WeakPolarHBondContact O-CA 3.43Å; R174-T215 PolarHBondContact N-O 2.83Å; R174-T215 PolarHBondContact O-N 3.04Å
175	T	86.6	Confident	92.3	Very high	17 Å²	17	65.1 Å²	65.1	10%	0.104	33%	0.33	C	S	.	.			trans	-113.5	-174.1	171.7	77.4	0	0	0	0	109.8	N177 S178 M214	T175-N177 VanDerWaalsContact C-N 3.29Å; T175-N177 PolarHBondContact OG1-N 3.27Å; T175-N177 VanDerWaalsContact OG1-N 3.13Å; T175-S178 PolarHBondContact N-O 3.21Å; T175-S178 PolarHBondContact OG1-N 3.36Å; T175-S178 PolarHBondContact OG1-O 2.79Å; T175-S178 PolarHBondContact OG1-OG 3.38Å; T175-M214 HydrophobicContact CG2-CG 4.3Å; T175-M214 HydrophobicContact CG2-SD 4.41Å
176	K	82.5	Confident	92.3	Very high	154 Å²	154	61.9 Å²	61.9	67%	0.67	32%	0.315	S	S	*	.	S	Bend	trans	-66.6	-29.6	170.8	-67.3	179.1	-174.8	167.6	0	113.3
177	N	82.4	Confident	92.4	Very high	135 Å²	135	67.7 Å²	67.7	72%	0.722	34%	0.342	S	S	*	.	S	Bend	trans	-115.4	-17.3	-167	-62	-23.2	0	0	0	113.6	T175	T175-N177 VanDerWaalsContact C-N 3.29Å; T175-N177 PolarHBondContact OG1-N 3.27Å; T175-N177 VanDerWaalsContact OG1-N 3.13Å
178	S	83.9	Confident	92.4	Very high	48 Å²	48	64.9 Å²	64.9	34%	0.336	33%	0.327	S	S	.	.			trans	-145	161.6	-172.2	62.9	0	0	0	0	112.2	T175	T175-S178 PolarHBondContact N-O 3.21Å; T175-S178 PolarHBondContact OG1-N 3.36Å; T175-S178 PolarHBondContact OG1-O 2.79Å; T175-S178 PolarHBondContact OG1-OG 3.38Å
179	T	91.1	Very high	92.5	Very high	86 Å²	86	65.8 Å²	65.8	53%	0.528	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	131.7	160.8	-59.6	0	0	0	0	107	L172 L173	L172-T179 HydrophobicContact CB-CG2 4.43Å; L172-T179 HydrophobicContact CD2-CG2 4.12Å; L173-T179 CarbonylContact O-C 3.58Å; L173-T179 WeakPolarHBondContact O-CA 3.43Å
180	I	91.6	Very high	92.5	Very high	52 Å²	52	70.2 Å²	70.2	27%	0.267	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127	-174.2	-53.3	176.8	0	0	0	107.3	L173 Y182 P208	L173-I180 HydrophobicContact CB-CB 4.47Å; L173-I180 PolarHBondContact N-O 2.95Å; L173-I180 PolarHBondContact O-N 2.99Å; I180-Y182 HydrophobicContact CB-CE2 3.85Å; I180-Y182 HydrophobicContact CG2-CD2 4.2Å; I180-Y182 HydrophobicContact CG2-CE2 3.47Å; I180-Y182 VanDerWaalsContact CG2-CE2 3.47Å; I180-P208 HydrophobicContact CD1-CG 3.68Å
181	E	95.1	Very high	92.6	Very high	89 Å²	89	73.5 Å²	73.5	42%	0.416	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	136	175.5	-167.7	175	-169.6	0	0	110.4	K168 S170 V171 L172	K168-E181 IonicContact NZ-OE1 2.69Å; K168-E181 PolarHBondContact NZ-OE1 2.87Å; K168-E181 IonicContact NZ-OE2 3.5Å; S170-E181 WeakPolarHBondContact CB-OE1 3.44Å; S170-E181 PolarHBondContact OG-OE1 2.86Å; V171-E181 CarbonylContact O-C 3.59Å; V171-E181 WeakPolarHBondContact O-CA 3.44Å; L172-E181 HydrophobicContact CD2-CB 3.8Å; L172-E181 HydrophobicContact CD2-CG 3.89Å
182	Y	94.5	Very high	92.5	Very high	41 Å²	41	80 Å²	80	16%	0.161	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	109.2	174.4	-61.2	-105.9	0	0	0	107.7	S170 V171 L173 I180 L203 V205 S206	S170-Y182 WeakPolarHBondContact CA-O 3.3Å; V171-Y182 PolarHBondContact N-O 2.98Å; V171-Y182 PolarHBondContact O-N 2.88Å; L173-Y182 HydrophobicContact CB-CD2 4.4Å; L173-Y182 HydrophobicContact CB-CE2 3.75Å; L173-Y182 HydrophobicContact CD2-CE2 4.15Å; I180-Y182 HydrophobicContact CB-CE2 3.85Å; I180-Y182 HydrophobicContact CG2-CD2 4.2Å; I180-Y182 HydrophobicContact CG2-CE2 3.47Å; I180-Y182 VanDerWaalsContact CG2-CE2 3.47Å; Y182-L203 WeakPolarHBondContact O-CD1 3.42Å; Y182-V205 HydrophobicContact CD2-CG1 4.27Å; Y182-V205 HydrophobicContact CE1-CG1 4.37Å; Y182-V205 HydrophobicContact CE2-CG1 3.93Å; Y182-V205 HydrophobicContact CG-CG2 4.43Å; Y182-S206 PolarHBondContact OH-O 2.76Å
183	D	93.9	Very high	92.5	Very high	105 Å²	105	82.5 Å²	82.5	56%	0.561	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	126.1	-178.5	-76.9	0.5	0	0	0	111	K168	K168-D183 VanDerWaalsContact CE-CG 3.43Å; K168-D183 WeakPolarHBondContact CE-OD1 3.37Å; K168-D183 IonicContact NZ-OD1 2.7Å; K168-D183 PolarHBondContact NZ-OD1 2.01Å; K168-D183 IonicContact NZ-OD2 3.5Å; K168-D183 PolarHBondContact NZ-OD2 3.16Å
184	G	89.9	Confident	92.7	Very high	18 Å²	18	84.4 Å²	84.4	19%	0.186	44%	0.442	C	S	.	.			trans	-96.1	140.9	179.7	0	0	0	0	0	112.9	M169 M186	M169-G184 PolarHBondContact O-N 2.65Å; G184-M186 VanDerWaalsContact C-N 3.33Å; G184-M186 PolarHBondContact O-N 2.96Å
185	V	94.1	Very high	93	Very high	134 Å²	134	79.4 Å²	79.4	81%	0.812	43%	0.425	S	S	*	.			trans	-72.4	93.8	163.7	-179	0	0	0	0	107.6	Q187	V185-Q187 PolarHBondContact O-N 2.91Å; V185-Q187 VanDerWaalsContact O-N 3.15Å
186	M	96.1	Very high	93.5	Very high	28 Å²	28	79.1 Å²	79.1	14%	0.138	42%	0.423	C	S	.	.			trans	-65.6	110.2	-175.7	179.9	160	57.8	0	0	111.5	P166 M169 G184 K188 V199 I201 L220	P166-M186 HydrophobicContact CB-CE 4.28Å; P166-M186 HydrophobicContact CG-CE 3.91Å; P166-M186 HydrophobicContact CG-SD 3.98Å; P166-M186 VanDerWaalsContact O-CE 3.31Å; P166-M186 WeakPolarHBondContact O-CE 3.23Å; M169-M186 HydrophobicContact CB-CG 4.35Å; M169-M186 HydrophobicContact CB-SD 3.59Å; M169-M186 VanDerWaalsContact CB-SD 3.59Å; G184-M186 VanDerWaalsContact C-N 3.33Å; G184-M186 PolarHBondContact O-N 2.96Å; M186-K188 HydrophobicContact CG-CG 4.06Å; M186-V199 HydrophobicContact CG-CB 4.14Å; M186-V199 HydrophobicContact CG-CG1 4.39Å; M186-V199 HydrophobicContact SD-CB 3.92Å; M186-V199 HydrophobicContact SD-CG1 4.09Å; M186-V199 HydrophobicContact SD-CG2 4.26Å; M186-I201 HydrophobicContact CB-CG2 4.07Å; M186-L220 HydrophobicContact SD-CD1 4.11Å
187	Q	97.1	Very high	94.3	Very high	125 Å²	125	73 Å²	73	58%	0.584	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	136.9	167.1	-56.9	-174.3	19.3	0	0	108.4	V185 V199 S200	V185-Q187 PolarHBondContact O-N 2.91Å; V185-Q187 VanDerWaalsContact O-N 3.15Å; Q187-V199 WeakPolarHBondContact O-CA 3.5Å; Q187-S200 PolarHBondContact N-O 2.94Å; Q187-S200 PolarHBondContact O-N 3.04Å
188	K	96.5	Very high	95	Very high	82 Å²	82	69.3 Å²	69.3	36%	0.357	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.2	-178.8	-44.7	-170.3	-165.7	-166.9	0	109.1	E165 P166 M186 V199	E165-K188 HydrophobicContact CG-CD 3.88Å; E165-K188 WeakPolarHBondContact OE1-CD 3.11Å; E165-K188 WeakPolarHBondContact OE1-CE 3.31Å; E165-K188 IonicContact OE1-NZ 3.4Å; E165-K188 PolarHBondContact OE1-NZ 2.82Å; P166-K188 PolarHBondContact O-NZ 2.9Å; M186-K188 HydrophobicContact CG-CG 4.06Å; K188-V199 HydrophobicContact CB-CG1 4.21Å; K188-V199 HydrophobicContact CG-CG1 4.03Å
189	S	97.3	Very high	95.7	Very high	72 Å²	72	67.2 Å²	67.2	50%	0.503	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.2	169.1	39.5	0	0	0	0	109	Y197 D198	S189-Y197 WeakPolarHBondContact O-CA 3.46Å; S189-D198 PolarHBondContact N-O 2.99Å; S189-D198 PolarHBondContact O-N 2.99Å; S189-D198 VanDerWaalsContact O-O 3.13Å; S189-D198 PolarHBondContact OG-O 2.86Å
190	Q	97.7	Very high	96	Very high	94 Å²	94	64.4 Å²	64.4	44%	0.439	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.6	-179.7	-166.8	178.6	25.3	0	0	109.8	E195 L196 Y197	Q190-E195 WeakPolarHBondContact CG-O 3.46Å; Q190-E195 PolarHBondContact NE2-O 3.49Å; Q190-L196 CarbonylContact C-O 3.6Å; Q190-L196 WeakPolarHBondContact CA-O 3.22Å; Q190-L196 WeakPolarHBondContact CG-O 3.18Å; Q190-Y197 HydrophobicContact CB-CD1 3.93Å; Q190-Y197 HydrophobicContact CB-CE1 3.97Å; Q190-Y197 HydrophobicContact CG-CD1 4.06Å; Q190-Y197 HydrophobicContact CG-CE1 4Å; Q190-Y197 HydrophobicContact CG-CG 4.41Å
191	D	97.5	Very high	96.3	Very high	69 Å²	69	62 Å²	62	37%	0.369	33%	0.333	S	S	.	.			trans	-71.7	134.5	176.2	171.3	-118.1	0	0	0	111.2	V193 T194 E195 L196	D191-V193 PolarHBondContact O-N 2.92Å; D191-V193 PolarHBondContact OD1-N 3.02Å; D191-T194 WeakPolarHBondContact CB-OG1 2.94Å; D191-T194 VanDerWaalsContact OD1-CB 3.32Å; D191-T194 WeakPolarHBondContact OD1-CB 3.05Å; D191-T194 WeakPolarHBondContact OD1-CG2 3.44Å; D191-T194 PolarHBondContact OD1-N 3.05Å; D191-T194 PolarHBondContact OD1-OG1 3.39Å; D191-E195 WeakPolarHBondContact O-CA 3.32Å; D191-E195 PolarHBondContact O-N 2.87Å; D191-L196 PolarHBondContact N-O 2.86Å
192	N	95.8	Very high	96.3	Very high	135 Å²	135	60.6 Å²	60.6	72%	0.722	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-19.3	-173.9	65.1	44	0	0	0	113.5	K103	K103-N192 PolarHBondContact NZ-O 2.75Å
193	V	94.9	Very high	96.3	Very high	98 Å²	98	60.4 Å²	60.4	59%	0.594	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-51.4	178	-174.6	0	0	0	0	110.6	K103 D191	K103-V193 PolarHBondContact NZ-O 2.83Å; D191-V193 PolarHBondContact O-N 2.92Å; D191-V193 PolarHBondContact OD1-N 3.02Å
194	T	96.6	Very high	96.2	Very high	40 Å²	40	58.9 Å²	58.9	25%	0.245	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-21.2	-172.1	62.7	0	0	0	0	114.3	F32 I102 D191 L196	F32-T194 HydrophobicContact CZ-CG2 3.91Å; I102-T194 WeakPolarHBondContact CB-O 3.29Å; I102-T194 WeakPolarHBondContact CG1-O 3.42Å; D191-T194 WeakPolarHBondContact CB-OG1 2.94Å; D191-T194 VanDerWaalsContact OD1-CB 3.32Å; D191-T194 WeakPolarHBondContact OD1-CB 3.05Å; D191-T194 WeakPolarHBondContact OD1-CG2 3.44Å; D191-T194 PolarHBondContact OD1-N 3.05Å; D191-T194 PolarHBondContact OD1-OG1 3.39Å; T194-L196 PolarHBondContact O-N 3.47Å; T194-L196 WeakPolarHBondContact OG1-CG 2.88Å; T194-L196 PolarHBondContact OG1-N 3.5Å
195	E	97.4	Very high	96.2	Very high	46 Å²	46	58 Å²	58	22%	0.215	32%	0.323	C	S	.	.			trans	64.2	12.2	-168.9	-48.6	-174.1	170.4	0	0	115.3	I102 K103 K105 Y163 Q190 D191	I102-E195 HydrophobicContact CB-CB 3.94Å; I102-E195 HydrophobicContact CG1-CB 4.38Å; I102-E195 HydrophobicContact CG2-CB 3.85Å; I102-E195 WeakPolarHBondContact CG2-OE2 3.17Å; K103-E195 HydrophobicContact CD-CG 4.39Å; K103-E195 WeakPolarHBondContact CE-OE1 3.34Å; K103-E195 HydrophobicContact CG-CG 4.11Å; K103-E195 WeakPolarHBondContact CG-OE1 3.38Å; K105-E195 IonicContact NZ-OE2 3.37Å; K105-E195 PolarHBondContact NZ-OE2 2.91Å; Y163-E195 VanDerWaalsContact CD2-O 3.26Å; Y163-E195 WeakPolarHBondContact CD2-O 3.33Å; Q190-E195 WeakPolarHBondContact CG-O 3.46Å; Q190-E195 PolarHBondContact NE2-O 3.49Å; D191-E195 WeakPolarHBondContact O-CA 3.32Å; D191-E195 PolarHBondContact O-N 2.87Å
196	L	98.1	Very high	95.9	Very high	10 Å²	10	54.6 Å²	54.6	5%	0.052	31%	0.305	C	S	.	.			trans	-71.9	148.7	174.4	-60.1	177.2	0	0	0	111.5	F32 I102 A134 H161 Q190 D191 T194	F32-L196 HydrophobicContact CD1-CD1 4.15Å; F32-L196 HydrophobicContact CD1-CD2 4.48Å; F32-L196 HydrophobicContact CD2-CD2 4.39Å; F32-L196 HydrophobicContact CE1-CD1 3.83Å; F32-L196 HydrophobicContact CG-CD2 4.29Å; F32-L196 HydrophobicContact CZ-CD1 4.1Å; I102-L196 HydrophobicContact CD1-CD2 3.95Å; I102-L196 HydrophobicContact CG1-CD2 3.93Å; A134-L196 HydrophobicContact CB-CD2 3.44Å; A134-L196 VanDerWaalsContact CB-CD2 3.44Å; H161-L196 HydrophobicContact CB-CD1 4.12Å; Q190-L196 CarbonylContact C-O 3.6Å; Q190-L196 WeakPolarHBondContact CA-O 3.22Å; Q190-L196 WeakPolarHBondContact CG-O 3.18Å; D191-L196 PolarHBondContact N-O 2.86Å; T194-L196 PolarHBondContact O-N 3.47Å; T194-L196 WeakPolarHBondContact OG1-CG 2.88Å; T194-L196 PolarHBondContact OG1-N 3.5Å
197	Y	98	Very high	95.3	Very high	27 Å²	27	53.7 Å²	53.7	11%	0.106	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	136.4	176.6	-68.7	-85.7	0	0	0	112.1	F136 H161 G162 Y163 E165 S189 Q190	F136-Y197 WeakPolarHBondContact CE1-O 3.28Å; H161-Y197 PolarHBondContact N-O 3.44Å; H161-Y197 VanDerWaalsContact N-O 3.16Å; G162-Y197 PolarHBondContact N-O 2.95Å; G162-Y197 PolarHBondContact O-N 2.9Å; Y163-Y197 AromaticContact CD2-CD2 3.82Å; Y163-Y197 HydrophobicContact CD2-CD2 3.82Å; Y163-Y197 AromaticContact CD2-CE2 3.7Å; Y163-Y197 HydrophobicContact CD2-CE2 3.7Å; Y163-Y197 HydrophobicContact CE2-CD2 4.29Å; Y163-Y197 AromaticContact CE2-CE2 3.69Å; Y163-Y197 HydrophobicContact CE2-CE2 3.69Å; E165-Y197 HydrophobicContact CB-CD2 4.37Å; E165-Y197 HydrophobicContact CB-CE1 4.23Å; E165-Y197 HydrophobicContact CB-CE2 3.76Å; E165-Y197 HydrophobicContact CG-CD1 4.47Å; E165-Y197 HydrophobicContact CG-CE1 3.97Å; E165-Y197 HydrophobicContact CG-CE2 4.38Å; E165-Y197 PolarHBondContact OE2-OH 3.32Å; S189-Y197 WeakPolarHBondContact O-CA 3.46Å; Q190-Y197 HydrophobicContact CB-CD1 3.93Å; Q190-Y197 HydrophobicContact CB-CE1 3.97Å; Q190-Y197 HydrophobicContact CG-CD1 4.06Å; Q190-Y197 HydrophobicContact CG-CE1 4Å; Q190-Y197 HydrophobicContact CG-CG 4.41Å
198	D	98.1	Very high	94.1	Very high	56 Å²	56	51.8 Å²	51.8	30%	0.299	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.2	160.7	-65.5	-13.2	0	0	0	108.1	I160 H161 S189	I160-D198 WeakPolarHBondContact CA-OD1 3.45Å; I160-D198 HydrophobicContact CB-CB 4.49Å; I160-D198 VanDerWaalsContact CB-OD1 3.22Å; I160-D198 WeakPolarHBondContact CB-OD1 3.46Å; I160-D198 HydrophobicContact CG2-CB 4.08Å; H161-D198 PolarHBondContact N-OD1 2.92Å; S189-D198 PolarHBondContact N-O 2.99Å; S189-D198 PolarHBondContact O-N 2.99Å; S189-D198 VanDerWaalsContact O-O 3.13Å; S189-D198 PolarHBondContact OG-O 2.86Å
199	V	98	Very high	92.5	Very high	4 Å²	4	51 Å²	51	2%	0.024	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.5	-176.3	-64.9	0	0	0	0	111.9	F136 S158 S159 P166 M186 Q187 K188 L220	F136-V199 HydrophobicContact CD1-CG2 4.4Å; F136-V199 HydrophobicContact CE1-CG2 4.08Å; S158-V199 VanDerWaalsContact CA-O 3.32Å; S158-V199 WeakPolarHBondContact CA-O 3.32Å; S159-V199 PolarHBondContact N-O 2.99Å; S159-V199 PolarHBondContact O-N 2.94Å; P166-V199 HydrophobicContact CG-CB 4.49Å; P166-V199 HydrophobicContact CG-CG1 3.69Å; P166-V199 HydrophobicContact CG-CG2 4.26Å; M186-V199 HydrophobicContact CG-CB 4.14Å; M186-V199 HydrophobicContact CG-CG1 4.39Å; M186-V199 HydrophobicContact SD-CB 3.92Å; M186-V199 HydrophobicContact SD-CG1 4.09Å; M186-V199 HydrophobicContact SD-CG2 4.26Å; Q187-V199 WeakPolarHBondContact O-CA 3.5Å; K188-V199 HydrophobicContact CB-CG1 4.21Å; K188-V199 HydrophobicContact CG-CG1 4.03Å; V199-L220 HydrophobicContact CG2-CD1 3.86Å; V199-L220 HydrophobicContact CG2-CD2 4.2Å
200	S	97.8	Very high	90.9	Very high	28 Å²	28	50.1 Å²	50.1	20%	0.196	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	158.2	174	64.3	0	0	0	0	113.8	C157 Q187	C157-S200 CarbonylContact O-C 3.54Å; C157-S200 WeakPolarHBondContact O-CA 3.47Å; C157-S200 VanDerWaalsContact O-CB 3.23Å; C157-S200 WeakPolarHBondContact O-CB 3.38Å; Q187-S200 PolarHBondContact N-O 2.94Å; Q187-S200 PolarHBondContact O-N 3.04Å
201	I	97.4	Very high	89.3	Confident	1 Å²	1	51 Å²	51	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	147.1	169.4	54.4	178.2	0	0	0	108.5	T156 C157 M169 V171 M186 L203	T156-I201 CarbonylContact C-O 3.58Å; T156-I201 VanDerWaalsContact CA-O 3.31Å; T156-I201 WeakPolarHBondContact CA-O 3.25Å; C157-I201 HydrophobicContact CB-CD1 4.31Å; C157-I201 HydrophobicContact CB-CG1 3.83Å; C157-I201 PolarHBondContact N-O 2.87Å; C157-I201 PolarHBondContact O-N 2.97Å; M169-I201 HydrophobicContact CB-CD1 4.26Å; M169-I201 HydrophobicContact CB-CG2 3.99Å; M169-I201 HydrophobicContact CG-CD1 3.84Å; M169-I201 HydrophobicContact CG-CG1 4.19Å; M169-I201 HydrophobicContact CG-CG2 4.39Å; M169-I201 HydrophobicContact SD-CD1 4.18Å; M169-I201 HydrophobicContact SD-CG1 3.86Å; M169-I201 HydrophobicContact SD-CG2 4.27Å; V171-I201 HydrophobicContact CG2-CD1 3.67Å; M186-I201 HydrophobicContact CB-CG2 4.07Å; I201-L203 HydrophobicContact CD1-CD1 4.21Å
202	S	95.8	Very high	88	Confident	60 Å²	60	48 Å²	48	42%	0.42	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.6	169.5	-65.1	0	0	0	0	109	L155 T156	L155-S202 WeakPolarHBondContact O-CA 3.45Å; T156-S202 PolarHBondContact OG1-OG 2.79Å
203	L	93.9	Very high	87.3	Confident	36 Å²	36	45.3 Å²	45.3	19%	0.188	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	148.5	-167.8	-75.1	175.9	0	0	0	112.2	N154 L155 V171 Y182 I201	N154-L203 WeakPolarHBondContact CA-O 3.44Å; L155-L203 PolarHBondContact N-O 2.99Å; L155-L203 PolarHBondContact O-N 2.84Å; V171-L203 HydrophobicContact CB-CD1 4.36Å; V171-L203 HydrophobicContact CG2-CD1 3.82Å; Y182-L203 WeakPolarHBondContact O-CD1 3.42Å; I201-L203 HydrophobicContact CD1-CD1 4.21Å
204	S	91.4	Very high	86.9	Confident	74 Å²	74	40.8 Å²	40.8	52%	0.517	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	104.5	166.3	-57.2	0	0	0	0	109.1	I153 N154	I153-S204 CarbonylContact O-C 3.52Å; I153-S204 WeakPolarHBondContact O-CA 3.22Å; N154-S204 WeakPolarHBondContact OD1-CB 3.22Å; N154-S204 PolarHBondContact OD1-OG 2.83Å
205	V	90.8	Very high	86.7	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	115.6	177.2	178.8	0	0	0	0	108.6	Y152 I153 L155 V171 L173 Y182 F207 I216	Y152-V205 CarbonylContact C-O 3.58Å; Y152-V205 VanDerWaalsContact CA-O 3.23Å; Y152-V205 WeakPolarHBondContact CA-O 3.44Å; Y152-V205 WeakPolarHBondContact CB-O 3.39Å; I153-V205 HydrophobicContact CG2-CB 4.1Å; I153-V205 PolarHBondContact N-O 2.64Å; I153-V205 PolarHBondContact O-N 2.88Å; L155-V205 HydrophobicContact CD2-CG2 4.03Å; L155-V205 HydrophobicContact CG-CG2 4.37Å; V171-V205 HydrophobicContact CG1-CG2 4.02Å; L173-V205 HydrophobicContact CB-CG1 4.36Å; L173-V205 HydrophobicContact CD1-CG1 4.38Å; L173-V205 HydrophobicContact CD2-CG1 4.16Å; Y182-V205 HydrophobicContact CD2-CG1 4.27Å; Y182-V205 HydrophobicContact CE1-CG1 4.37Å; Y182-V205 HydrophobicContact CE2-CG1 3.93Å; Y182-V205 HydrophobicContact CG-CG2 4.43Å; V205-F207 HydrophobicContact CG1-CD1 4.41Å; V205-F207 HydrophobicContact CG1-CE1 3.94Å; V205-I216 HydrophobicContact CG1-CD1 4.48Å
206	S	88.2	Confident	86.5	Confident	61 Å²	61	38.4 Å²	38.4	43%	0.427	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	142.9	176.8	54.7	0	0	0	0	111.6	Y182 P208	Y182-S206 PolarHBondContact OH-O 2.76Å; S206-P208 WeakPolarHBondContact O-CD 3.41Å
207	F	83.4	Confident	86.5	Confident	9 Å²	9	39.6 Å²	39.6	4%	0.039	24%	0.238	C	C	.	.			trans	-105.4	102.4	-177	-54.1	-50.2	0	0	0	110.5	I147 M151 I153 L173 V205 M214 I216 I234	I147-F207 HydrophobicContact CD1-CE2 4.25Å; I147-F207 HydrophobicContact CG1-CE2 4.19Å; I147-F207 HydrophobicContact CG2-CD2 4.4Å; I147-F207 HydrophobicContact CG2-CE2 4.08Å; M151-F207 HydrophobicContact CB-CB 4.48Å; M151-F207 WeakPolarHBondContact CE-O 3.23Å; M151-F207 WeakPolarHBondContact O-CD2 3.38Å; M151-F207 PolarHBondContact O-N 2.69Å; I153-F207 HydrophobicContact CB-CE2 4.16Å; I153-F207 HydrophobicContact CB-CZ 3.89Å; I153-F207 HydrophobicContact CG2-CE1 4.29Å; I153-F207 HydrophobicContact CG2-CE2 4.24Å; I153-F207 HydrophobicContact CG2-CZ 3.5Å; I153-F207 VanDerWaalsContact CG2-CZ 3.5Å; L173-F207 HydrophobicContact CD1-CD1 4.03Å; L173-F207 HydrophobicContact CD1-CE1 3.94Å; L173-F207 HydrophobicContact CD2-CD1 4Å; V205-F207 HydrophobicContact CG1-CD1 4.41Å; V205-F207 HydrophobicContact CG1-CE1 3.94Å; F207-M214 HydrophobicContact CB-CE 3.99Å; F207-M214 HydrophobicContact CB-SD 3.95Å; F207-M214 HydrophobicContact CD1-SD 3.49Å; F207-M214 WeakPolarHBondContact CD1-SD 3.16Å; F207-M214 HydrophobicContact CE1-SD 4.24Å; F207-M214 HydrophobicContact CG-SD 3.9Å; F207-I216 HydrophobicContact CE1-CD1 4.19Å; F207-I216 HydrophobicContact CZ-CD1 4.41Å; F207-I234 HydrophobicContact CE1-CD1 3.79Å; F207-I234 HydrophobicContact CE2-CD1 4.03Å; F207-I234 HydrophobicContact CZ-CD1 3.3Å
208	P	70.5	Confident	86.4	Confident	86 Å²	86	38.3 Å²	38.3	56%	0.558	23%	0.233	S	C	*	.	S	Bend	trans	-78.7	-19.7	-171.6	30.1	-35.7	0	0	0	114.7	I180 S206	I180-P208 HydrophobicContact CD1-CG 3.68Å; S206-P208 WeakPolarHBondContact O-CD 3.41Å
209	D	64.4	Low	86.4	Confident	65 Å²	65	35.8 Å²	35.8	35%	0.348	22%	0.219	S	C	.	.			trans	-145.7	94.3	-177.4	179	1.6	0	0	0	110.4	T211 M214	D209-T211 PolarHBondContact O-N 2.69Å; D209-T211 VanDerWaalsContact O-N 3.16Å; D209-T211 WeakPolarHBondContact OD1-CB 3.44Å; D209-T211 VanDerWaalsContact OD1-CG2 3.27Å; D209-T211 WeakPolarHBondContact OD1-CG2 3.42Å; D209-T211 PolarHBondContact OD1-N 3.5Å; D209-T211 VanDerWaalsContact OD1-N 3.16Å; D209-T211 PolarHBondContact OD1-OG1 2.7Å; D209-T211 PolarHBondContact OD2-OG1 2.83Å; D209-M214 WeakPolarHBondContact O-CE 3.27Å
210	V	63.5	Low	86.4	Confident	53 Å²	53	35.6 Å²	35.6	32%	0.321	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	16.8	-174.9	-134.9	0	0	0	0	113.7	M151 S212 M214 L236	M151-V210 HydrophobicContact CE-CG2 3.34Å; M151-V210 HydrophobicContact CG-CG2 4.01Å; M151-V210 HydrophobicContact SD-CG2 3.63Å; V210-S212 VanDerWaalsContact C-N 3.27Å; V210-S212 PolarHBondContact O-N 2.58Å; V210-M214 HydrophobicContact CG1-CE 4.38Å; V210-L236 HydrophobicContact CG1-CD1 4.14Å; V210-L236 HydrophobicContact CG1-CD2 3.63Å; V210-L236 HydrophobicContact CG1-CG 4.37Å; V210-L236 WeakPolarHBondContact O-CD1 3.27Å
211	T	63.7	Low	86.3	Confident	113 Å²	113	36.8 Å²	36.8	69%	0.693	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	1.2	179.7	64.1	0	0	0	0	114.2	D209	D209-T211 PolarHBondContact O-N 2.69Å; D209-T211 VanDerWaalsContact O-N 3.16Å; D209-T211 WeakPolarHBondContact OD1-CB 3.44Å; D209-T211 VanDerWaalsContact OD1-CG2 3.27Å; D209-T211 WeakPolarHBondContact OD1-CG2 3.42Å; D209-T211 PolarHBondContact OD1-N 3.5Å; D209-T211 VanDerWaalsContact OD1-N 3.16Å; D209-T211 PolarHBondContact OD1-OG1 2.7Å; D209-T211 PolarHBondContact OD2-OG1 2.83Å
212	S	70	Confident	86.1	Confident	6 Å²	6	37.9 Å²	37.9	4%	0.042	23%	0.227	C	C	.	.	S	Bend	trans	-149.9	150	178.6	66.4	0	0	0	0	114	V210 M214	V210-S212 VanDerWaalsContact C-N 3.27Å; V210-S212 PolarHBondContact O-N 2.58Å; S212-M214 WeakPolarHBondContact O-CG 3.5Å; S212-M214 PolarHBondContact O-N 2.83Å
213	N	82.1	Confident	85.7	Confident	79 Å²	79	39 Å²	39	42%	0.422	23%	0.228	S	C	.	.			trans	-51	137.3	171.7	-49.3	50	0	0	0	110.1	I234	N213-I234 WeakPolarHBondContact CA-O 3.33Å
214	M	86.5	Confident	85.1	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.015	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	149.7	-178.2	-52.5	-169.3	-175.9	0	0	110.2	L173 R174 T175 F207 D209 V210 S212 S233 I234	L173-M214 HydrophobicContact CD1-CB 3.95Å; L173-M214 HydrophobicContact CD1-CG 4.49Å; L173-M214 HydrophobicContact CD1-SD 3.96Å; L173-M214 HydrophobicContact CD2-SD 4.39Å; R174-M214 WeakPolarHBondContact O-CA 3.43Å; T175-M214 HydrophobicContact CG2-CG 4.3Å; T175-M214 HydrophobicContact CG2-SD 4.41Å; F207-M214 HydrophobicContact CB-CE 3.99Å; F207-M214 HydrophobicContact CB-SD 3.95Å; F207-M214 HydrophobicContact CD1-SD 3.49Å; F207-M214 WeakPolarHBondContact CD1-SD 3.16Å; F207-M214 HydrophobicContact CE1-SD 4.24Å; F207-M214 HydrophobicContact CG-SD 3.9Å; D209-M214 WeakPolarHBondContact O-CE 3.27Å; V210-M214 HydrophobicContact CG1-CE 4.38Å; S212-M214 WeakPolarHBondContact O-CG 3.5Å; S212-M214 PolarHBondContact O-N 2.83Å; M214-S233 WeakPolarHBondContact O-CA 3.32Å; M214-I234 HydrophobicContact CB-CB 4.46Å; M214-I234 PolarHBondContact N-O 2.83Å; M214-I234 VanDerWaalsContact N-O 3.14Å; M214-I234 PolarHBondContact O-N 3.16Å
215	T	91.9	Very high	85	Confident	35 Å²	35	42.7 Å²	42.7	22%	0.215	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	123.4	171.1	-49.4	0	0	0	0	109.2	R174 F217 P231 F232	R174-T215 PolarHBondContact N-O 2.83Å; R174-T215 PolarHBondContact O-N 3.04Å; T215-F217 HydrophobicContact CG2-CD2 4.17Å; T215-F217 HydrophobicContact CG2-CE1 4.43Å; T215-F217 HydrophobicContact CG2-CE2 3.47Å; T215-F217 VanDerWaalsContact CG2-CE2 3.47Å; T215-F217 HydrophobicContact CG2-CZ 3.63Å; T215-P231 HydrophobicContact CG2-CB 3.45Å; T215-P231 VanDerWaalsContact CG2-CB 3.45Å; T215-F232 WeakPolarHBondContact CA-O 3.21Å
216	I	93.8	Very high	85.1	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	134.7	175	-54.6	-178.6	0	0	0	108.5	I141 I153 L155 V171 L172 L173 V205 F207 F232 I234	I141-I216 HydrophobicContact CD1-CG2 4.1Å; I153-I216 HydrophobicContact CG2-CD1 4.09Å; L155-I216 HydrophobicContact CD2-CD1 3.85Å; L155-I216 HydrophobicContact CD2-CG2 3.97Å; V171-I216 HydrophobicContact CG1-CG2 3.36Å; L172-I216 WeakPolarHBondContact O-CA 3.04Å; L173-I216 HydrophobicContact CD1-CD1 4.46Å; L173-I216 HydrophobicContact CD1-CG1 3.84Å; V205-I216 HydrophobicContact CG1-CD1 4.48Å; F207-I216 HydrophobicContact CE1-CD1 4.19Å; F207-I216 HydrophobicContact CZ-CD1 4.41Å; I216-F232 HydrophobicContact CB-CB 4.3Å; I216-F232 HydrophobicContact CB-CD1 4.37Å; I216-F232 HydrophobicContact CD1-CD1 4.16Å; I216-F232 HydrophobicContact CG1-CD1 4.43Å; I216-F232 PolarHBondContact N-O 3.16Å; I216-F232 PolarHBondContact O-N 3.49Å; I216-I234 HydrophobicContact CD1-CD1 3.96Å
217	F	96.6	Very high	85.5	Confident	36 Å²	36	48.1 Å²	48.1	16%	0.158	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.2	167.7	-60.2	-94	0	0	0	109.2	V171 L172 T215 L228 S229 P231	V171-F217 CarbonylContact C-O 3.5Å; V171-F217 WeakPolarHBondContact CA-O 3.46Å; L172-F217 HydrophobicContact CB-CB 4.46Å; L172-F217 PolarHBondContact N-O 2.85Å; L172-F217 PolarHBondContact O-N 2.92Å; T215-F217 HydrophobicContact CG2-CD2 4.17Å; T215-F217 HydrophobicContact CG2-CE1 4.43Å; T215-F217 HydrophobicContact CG2-CE2 3.47Å; T215-F217 VanDerWaalsContact CG2-CE2 3.47Å; T215-F217 HydrophobicContact CG2-CZ 3.63Å; F217-L228 HydrophobicContact CB-CD1 4.33Å; F217-L228 HydrophobicContact CB-CD2 4.4Å; F217-L228 HydrophobicContact CB-CG 4.19Å; F217-L228 HydrophobicContact CD1-CD2 3.56Å; F217-L228 HydrophobicContact CD1-CG 4.03Å; F217-L228 HydrophobicContact CE1-CD2 4.02Å; F217-L228 HydrophobicContact CG-CD2 4.11Å; F217-L228 HydrophobicContact CG-CG 4.41Å; F217-S229 WeakPolarHBondContact CA-OG 3.49Å; F217-P231 HydrophobicContact CD1-CB 4.39Å; F217-P231 HydrophobicContact CE1-CB 3.65Å; F217-P231 HydrophobicContact CE1-CG 4.45Å; F217-P231 HydrophobicContact CZ-CB 3.86Å
218	C	97.1	Very high	86.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	150.6	159.9	-57.4	0	0	0	0	111	P139 C157 M169 S170 L228 S229	P139-C218 HydrophobicContact CB-CB 4.04Å; C157-C218 HydrophobicContact CB-CB 4.03Å; C157-C218 WeakPolarHBondContact CB-SG 3.37Å; C157-C218 WeakPolarHBondContact SG-CB 3.45Å; C157-C218 CovalentContact SG-SG 2.01Å; C157-C218 PolarHBondContact SG-SG 3.07Å; M169-C218 HydrophobicContact CE-CB 4.47Å; S170-C218 WeakPolarHBondContact O-CA 3.46Å; C218-L228 WeakPolarHBondContact O-CA 3.49Å; C218-S229 PolarHBondContact N-OG 3.41Å; C218-S229 PolarHBondContact O-N 2.99Å
219	V	97.3	Very high	87.5	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	129.7	174.9	-167.3	0	0	0	0	107.7	M169 S170 L172 E221 Q226 L227 L228	M169-V219 VanDerWaalsContact CA-O 3.28Å; M169-V219 WeakPolarHBondContact CA-O 3.36Å; M169-V219 WeakPolarHBondContact CG-O 3.17Å; S170-V219 PolarHBondContact N-O 3.35Å; S170-V219 PolarHBondContact O-N 3.15Å; L172-V219 HydrophobicContact CD1-CG2 3.45Å; L172-V219 VanDerWaalsContact CD1-CG2 3.45Å; L172-V219 HydrophobicContact CG-CG2 3.61Å; V219-E221 HydrophobicContact CG1-CG 3.83Å; V219-Q226 HydrophobicContact CG1-CG 3.38Å; V219-L227 WeakPolarHBondContact CA-O 2.95Å; V219-L228 HydrophobicContact CG2-CD1 3.95Å
220	L	97.5	Very high	89	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.8	164.9	179.3	68	0	0	0	108.5	F136 P139 P166 M169 M186 V199 Q226 L227	F136-L220 HydrophobicContact CB-CD2 3.81Å; F136-L220 HydrophobicContact CD1-CD2 3.75Å; F136-L220 HydrophobicContact CD2-CD2 4.08Å; F136-L220 HydrophobicContact CE1-CD2 4.42Å; F136-L220 HydrophobicContact CG-CD2 3.58Å; P139-L220 HydrophobicContact CG-CB 3.96Å; P166-L220 HydrophobicContact CB-CD1 3.8Å; P166-L220 HydrophobicContact CB-CG 4.39Å; P166-L220 HydrophobicContact CG-CD1 4.05Å; M169-L220 HydrophobicContact CB-CD1 3.95Å; M169-L220 HydrophobicContact CG-CB 4.39Å; M169-L220 HydrophobicContact CG-CD1 3.98Å; M169-L220 HydrophobicContact SD-CD1 4.4Å; M186-L220 HydrophobicContact SD-CD1 4.11Å; V199-L220 HydrophobicContact CG2-CD1 3.86Å; V199-L220 HydrophobicContact CG2-CD2 4.2Å; L220-Q226 WeakPolarHBondContact O-CA 3.46Å; L220-L227 HydrophobicContact CB-CB 4.39Å; L220-L227 HydrophobicContact CD2-CD1 4.47Å; L220-L227 PolarHBondContact N-O 2.89Å; L220-L227 PolarHBondContact O-N 3.32Å
221	E	95.9	Very high	90.4	Very high	53 Å²	53	49 Å²	49	25%	0.248	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.9	-175.4	-50.7	-162.7	126.8	0	0	110.3	P166 E167 K168 V219 Q226	P166-E221 WeakPolarHBondContact CB-O 3.31Å; E167-E221 PolarHBondContact N-O 2.96Å; K168-E221 HydrophobicContact CB-CB 4.1Å; K168-E221 HydrophobicContact CB-CG 4.25Å; K168-E221 WeakPolarHBondContact CB-OE2 3.38Å; K168-E221 VanDerWaalsContact CD-OE2 3.27Å; K168-E221 WeakPolarHBondContact CD-OE2 3.32Å; K168-E221 PolarHBondContact N-O 2.81Å; K168-E221 PolarHBondContact O-N 2.84Å; V219-E221 HydrophobicContact CG1-CG 3.83Å; E221-Q226 HydrophobicContact CG-CG 4.32Å; E221-Q226 PolarHBondContact OE1-NE2 2.94Å
222	T	93.6	Very high	91.8	Very high	24 Å²	24	46.4 Å²	46.4	15%	0.147	25%	0.248	C	C	.	.			trans	-124.5	168.4	179.7	71	0	0	0	0	109.9	F136 P166 K224 T225	F136-T222 HydrophobicContact CD2-CG2 4.01Å; F136-T222 HydrophobicContact CE2-CG2 4.28Å; P166-T222 HydrophobicContact CB-CG2 4.28Å; T222-K224 PolarHBondContact O-N 2.8Å; T222-T225 PolarHBondContact N-O 3.14Å; T222-T225 PolarHBondContact O-N 2.85Å; T222-T225 PolarHBondContact OG1-N 3.12Å; T222-T225 PolarHBondContact OG1-O 3.48Å; T222-T225 PolarHBondContact OG1-OG1 2.92Å
223	D	86.9	Confident	92.7	Very high	83 Å²	83	49.6 Å²	49.6	44%	0.444	27%	0.271	S	S	.	.	S	Bend	trans	-55.6	-14.4	-177.8	79.7	-36.4	0	0	0	115.7
224	K	81.1	Confident	92.7	Very high	110 Å²	110	46.8 Å²	46.8	48%	0.478	26%	0.256	S	S	.	.	S	Bend	trans	-134.8	-24.1	-177.7	-65.1	174	-158.7	82.4	0	114.8	Q29 T222	Q29-K224 VanDerWaalsContact OE1-CE 3.29Å; T222-K224 PolarHBondContact O-N 2.8Å
225	T	89.7	Confident	92.2	Very high	78 Å²	78	54.2 Å²	54.2	48%	0.479	29%	0.29	S	S	.	.			trans	-144.2	152.5	-169.8	66.1	0	0	0	0	113	T222	T222-T225 PolarHBondContact N-O 3.14Å; T222-T225 PolarHBondContact O-N 2.85Å; T222-T225 PolarHBondContact OG1-N 3.12Å; T222-T225 PolarHBondContact OG1-O 3.48Å; T222-T225 PolarHBondContact OG1-OG1 2.92Å
226	Q	93.9	Very high	91.1	Very high	124 Å²	124	56.3 Å²	56.3	58%	0.579	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.6	172.6	-172.4	-178	67.3	0	0	108.3	V219 L220 E221	V219-Q226 HydrophobicContact CG1-CG 3.38Å; L220-Q226 WeakPolarHBondContact O-CA 3.46Å; E221-Q226 HydrophobicContact CG-CG 4.32Å; E221-Q226 PolarHBondContact OE1-NE2 2.94Å
227	L	96.5	Very high	89.5	Confident	52 Å²	52	65.5 Å²	65.5	27%	0.272	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	134.8	-179.8	-66	172.4	0	0	0	110.3	F136 P139 V219 L220	F136-L227 HydrophobicContact CB-CD1 3.65Å; P139-L227 HydrophobicContact CG-CB 4.24Å; V219-L227 WeakPolarHBondContact CA-O 2.95Å; L220-L227 HydrophobicContact CB-CB 4.39Å; L220-L227 HydrophobicContact CD2-CD1 4.47Å; L220-L227 PolarHBondContact N-O 2.89Å; L220-L227 PolarHBondContact O-N 3.32Å
228	L	97	Very high	87.5	Confident	73 Å²	73	70.5 Å²	70.5	38%	0.382	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	138.5	-178.3	-146.8	78.1	0	0	0	111.1	Q138 F217 C218 V219	Q138-L228 VanDerWaalsContact CG-O 3.29Å; Q138-L228 WeakPolarHBondContact CG-O 3.48Å; Q138-L228 PolarHBondContact NE2-O 2.89Å; F217-L228 HydrophobicContact CB-CD1 4.33Å; F217-L228 HydrophobicContact CB-CD2 4.4Å; F217-L228 HydrophobicContact CB-CG 4.19Å; F217-L228 HydrophobicContact CD1-CD2 3.56Å; F217-L228 HydrophobicContact CD1-CG 4.03Å; F217-L228 HydrophobicContact CE1-CD2 4.02Å; F217-L228 HydrophobicContact CG-CD2 4.11Å; F217-L228 HydrophobicContact CG-CG 4.41Å; C218-L228 WeakPolarHBondContact O-CA 3.49Å; V219-L228 HydrophobicContact CG2-CD1 3.95Å
229	S	97.5	Very high	85.5	Confident	6 Å²	6	75.7 Å²	75.7	4%	0.042	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-64.7	169.2	172.8	71.1	0	0	0	0	112.6	P139 I141 F217 C218	P139-S229 WeakPolarHBondContact O-CA 3.26Å; P139-S229 WeakPolarHBondContact O-CB 3.39Å; I141-S229 WeakPolarHBondContact CD1-OG 3.38Å; F217-S229 WeakPolarHBondContact CA-OG 3.49Å; C218-S229 PolarHBondContact N-OG 3.41Å; C218-S229 PolarHBondContact O-N 2.99Å
230	S	96.1	Very high	83.3	Confident	72 Å²	72	84.1 Å²	84.1	50%	0.503	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-62.5	149.8	155.7	-72.4	0	0	0	0	110.4	F232	S230-F232 PolarHBondContact O-N 2.62Å
231	P	94.8	Very high	81.7	Confident	79 Å²	79	89.5 Å²	89.5	51%	0.513	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-68.6	128.2	179.4	26	-33.4	0	0	0	111.8	T215 F217	T215-P231 HydrophobicContact CG2-CB 3.45Å; T215-P231 VanDerWaalsContact CG2-CB 3.45Å; F217-P231 HydrophobicContact CD1-CB 4.39Å; F217-P231 HydrophobicContact CE1-CB 3.65Å; F217-P231 HydrophobicContact CE1-CG 4.45Å; F217-P231 HydrophobicContact CZ-CB 3.86Å
232	F	92	Very high	80.3	Confident	59 Å²	59	92.3 Å²	92.3	26%	0.259	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	103.1	167.4	-178.7	-90.8	0	0	0	109.2	I141 P143 I153 T215 I216 S230 I234	I141-F232 HydrophobicContact CD1-CB 3.87Å; I141-F232 HydrophobicContact CG2-CB 4.4Å; I141-F232 HydrophobicContact CG2-CG 4.47Å; P143-F232 HydrophobicContact CB-CZ 4.38Å; P143-F232 HydrophobicContact CG-CE2 4.1Å; P143-F232 HydrophobicContact CG-CZ 4.27Å; I153-F232 HydrophobicContact CD1-CE1 4Å; I153-F232 HydrophobicContact CD1-CZ 4.17Å; T215-F232 WeakPolarHBondContact CA-O 3.21Å; I216-F232 HydrophobicContact CB-CB 4.3Å; I216-F232 HydrophobicContact CB-CD1 4.37Å; I216-F232 HydrophobicContact CD1-CD1 4.16Å; I216-F232 HydrophobicContact CG1-CD1 4.43Å; I216-F232 PolarHBondContact N-O 3.16Å; I216-F232 PolarHBondContact O-N 3.49Å; S230-F232 PolarHBondContact O-N 2.62Å; F232-I234 HydrophobicContact CD1-CG1 4.17Å; F232-I234 HydrophobicContact CE1-CD1 4.15Å; F232-I234 HydrophobicContact CE1-CG1 3.8Å
233	S	88.5	Confident	78.8	Confident	74 Å²	74	95.7 Å²	95.7	52%	0.517	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	135.9	-178.2	-67.3	0	0	0	0	112.1	M214	M214-S233 WeakPolarHBondContact O-CA 3.32Å
234	I	82.9	Confident	77.3	Confident	20 Å²	20	98.5 Å²	98.5	10%	0.103	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	111.4	169.9	-62.2	173.1	0	0	0	107.4	I147 F207 N213 M214 I216 F232	I147-I234 HydrophobicContact CD1-CD1 4.12Å; I147-I234 HydrophobicContact CD1-CG1 4.41Å; I147-I234 HydrophobicContact CD1-CG2 3.6Å; F207-I234 HydrophobicContact CE1-CD1 3.79Å; F207-I234 HydrophobicContact CE2-CD1 4.03Å; F207-I234 HydrophobicContact CZ-CD1 3.3Å; N213-I234 WeakPolarHBondContact CA-O 3.33Å; M214-I234 HydrophobicContact CB-CB 4.46Å; M214-I234 PolarHBondContact N-O 2.83Å; M214-I234 VanDerWaalsContact N-O 3.14Å; M214-I234 PolarHBondContact O-N 3.16Å; I216-I234 HydrophobicContact CD1-CD1 3.96Å; F232-I234 HydrophobicContact CD1-CG1 4.17Å; F232-I234 HydrophobicContact CE1-CD1 4.15Å; F232-I234 HydrophobicContact CE1-CG1 3.8Å
235	E	75.3	Confident	76.5	Confident	158 Å²	158	100.2 Å²	100.2	74%	0.738	55%	0.549	S	S	*	.			trans	-92.6	144.6	170.9	-59.6	-165.6	149.9	0	0	109.8
236	L	68.4	Low	75.3	Confident	80 Å²	80	101.8 Å²	101.8	42%	0.419	55%	0.553	S	S	.	*			trans	-97.6	122.9	176	-82	137.6	0	0	0	108.7	V210 D238	V210-L236 HydrophobicContact CG1-CD1 4.14Å; V210-L236 HydrophobicContact CG1-CD2 3.63Å; V210-L236 HydrophobicContact CG1-CG 4.37Å; V210-L236 WeakPolarHBondContact O-CD1 3.27Å; L236-D238 PolarHBondContact O-N 2.93Å; L236-D238 VanDerWaalsContact O-N 3.12Å
237	E	60.1	Low	73.6	Confident	192 Å²	192	100.4 Å²	100.4	90%	0.897	56%	0.555	S	S	*	*			trans	-72.2	103.7	173	-166	161.8	-153.1	0	0	108.4
238	D	54.6	Low	71.4	Confident	141 Å²	141	106.3 Å²	106.3	75%	0.754	57%	0.573	S	S	*	*			trans	-59.8	125.1	-178	-167.5	22.9	0	0	0	109.5	L236 Q240	L236-D238 PolarHBondContact O-N 2.93Å; L236-D238 VanDerWaalsContact O-N 3.12Å; D238-Q240 PolarHBondContact O-N 3.13Å
239	P	57	Low	69.5	Low	109 Å²	109	107.1 Å²	107.1	71%	0.708	58%	0.577	S	S	*	*			trans	-56.5	114.3	-173.9	-27.6	35.5	0	0	0	111.4	P241	P239-P241 VanDerWaalsContact O-N 3.15Å
240	Q	50.3	Low	67.6	Low	179 Å²	179	111.9 Å²	111.9	84%	0.836	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-51.6	125.4	179.3	-64.2	-165.7	-76.5	0	0	109.3	D238	D238-Q240 PolarHBondContact O-N 3.13Å
241	P	64.1	Low	65.9	Low	113 Å²	113	111 Å²	111	73%	0.734	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-58.3	133.2	-178.5	22.6	-32.6	0	0	0	108.9	P239	P239-P241 VanDerWaalsContact O-N 3.15Å
242	P	66.8	Low	64.6	Low	112 Å²	112	110.5 Å²	110.5	73%	0.727	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-57.9	140.2	-174.7	23.4	-33.7	0	0	0	109.9	D244	P242-D244 PolarHBondContact O-N 3.16Å; P242-D244 VanDerWaalsContact O-N 3.16Å
243	P	60.6	Low	63.5	Low	95 Å²	95	113.3 Å²	113.3	62%	0.617	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-55.8	123.1	-172.1	20.4	-32.5	0	0	0	111.2	H245	P243-H245 PolarHBondContact O-CD2 2.9Å; P243-H245 PolarHBondContact O-N 3.19Å
244	D	55.9	Low	62.8	Low	142 Å²	142	112.6 Å²	112.6	76%	0.759	61%	0.61	S	S	*	*			trans	-73.2	87.7	-166.7	-165.7	4.8	0	0	0	111.6	P242 I246	P242-D244 PolarHBondContact O-N 3.16Å; P242-D244 VanDerWaalsContact O-N 3.16Å; D244-I246 PolarHBondContact O-N 2.86Å
245	H	65	Low	62.4	Low	147 Å²	147	115.4 Å²	115.4	68%	0.681	63%	0.627	S	S	*	*			trans	-76.9	36.7	-167.7	-79.4	-55.7	0	0	0	114.9	P243 P247	P243-H245 PolarHBondContact O-CD2 2.9Å; P243-H245 PolarHBondContact O-N 3.19Å; H245-P247 VanDerWaalsContact C-CD 3.4Å
246	I	65.2	Low	62.8	Low	111 Å²	111	111.7 Å²	111.7	57%	0.569	62%	0.616	S	S	*	*			trans	-122.9	56.6	178.7	-35.9	-176.2	0	0	0	115.4	D244 I249	D244-I246 PolarHBondContact O-N 2.86Å; I246-I249 HydrophobicContact CG2-CB 4.36Å; I246-I249 HydrophobicContact CG2-CD1 3.92Å; I246-I249 HydrophobicContact CG2-CG1 4.16Å
247	P	56.3	Low	63.5	Low	95 Å²	95	112.9 Å²	112.9	62%	0.617	62%	0.621	S	S	*	*	S	Bend	trans	-94.3	-8.4	160.7	36.7	-34.6	0	0	0	113.6	H245 T250	H245-P247 VanDerWaalsContact C-CD 3.4Å; P247-T250 PolarHBondContact O-OG1 3.24Å; P247-T250 VanDerWaalsContact O-OG1 3.07Å
248	W	51.6	Low	64.6	Low	175 Å²	175	109.2 Å²	109.2	66%	0.663	61%	0.607	S	S	*	*	S	Bend	trans	-84.6	-34.5	-169.6	74.4	-76	0	0	0	114.2	T250 A251	W248-T250 VanDerWaalsContact C-N 3.32Å; W248-T250 PolarHBondContact O-N 3.33Å; W248-A251 PolarHBondContact O-N 3.07Å
249	I	56.4	Low	66.1	Low	90 Å²	90	106.7 Å²	106.7	46%	0.462	60%	0.599	S	S	.	*	H	α-helix	trans	-67.3	-33.3	-176.6	-60	-179	0	0	0	111.7	I246 A251 V252	I246-I249 HydrophobicContact CG2-CB 4.36Å; I246-I249 HydrophobicContact CG2-CD1 3.92Å; I246-I249 HydrophobicContact CG2-CG1 4.16Å; I249-A251 VanDerWaalsContact C-N 3.26Å; I249-A251 PolarHBondContact O-N 3.4Å; I249-V252 PolarHBondContact O-N 3.33Å
250	T	57.1	Low	67.5	Low	106 Å²	106	105.4 Å²	105.4	65%	0.65	59%	0.589	S	S	*	*	H	α-helix	trans	-69.1	-18.7	177.8	45.2	0	0	0	0	113.8	P247 W248 P254	P247-T250 PolarHBondContact O-OG1 3.24Å; P247-T250 VanDerWaalsContact O-OG1 3.07Å; W248-T250 VanDerWaalsContact C-N 3.32Å; W248-T250 PolarHBondContact O-N 3.33Å; T250-P254 WeakPolarHBondContact O-CD 3.44Å; T250-P254 WeakPolarHBondContact O-CG 3.49Å
251	A	60.8	Low	69.2	Low	54 Å²	54	102.6 Å²	102.6	45%	0.446	58%	0.577	S	S	.	*	H	α-helix	trans	-89	-27	176.4	0	0	0	0	0	113.8	W248 I249 T255	W248-A251 PolarHBondContact O-N 3.07Å; I249-A251 VanDerWaalsContact C-N 3.26Å; I249-A251 PolarHBondContact O-N 3.4Å; A251-T255 WeakPolarHBondContact O-CG2 3.49Å; A251-T255 PolarHBondContact O-N 3.38Å; A251-T255 PolarHBondContact O-OG1 3.49Å
252	V	67.3	Low	70.3	Confident	68 Å²	68	99.4 Å²	99.4	41%	0.412	56%	0.56	S	S	.	*	H	α-helix	trans	-75.3	-41.5	-175.1	177.8	0	0	0	0	112.3	I249 T255 V256	I249-V252 PolarHBondContact O-N 3.33Å; V252-T255 WeakPolarHBondContact CA-OG1 3.17Å; V252-T255 PolarHBondContact O-N 3.43Å; V252-T255 PolarHBondContact O-OG1 3.5Å; V252-V256 HydrophobicContact CG1-CG2 4.19Å; V252-V256 WeakPolarHBondContact O-CG2 3.43Å; V252-V256 PolarHBondContact O-N 3.44Å
253	L	68.9	Low	71.3	Confident	118 Å²	118	100.2 Å²	100.2	62%	0.618	55%	0.553	S	S	*	*	H	α-helix	trans	-56.5	-54.9	177.2	-104.5	70.2	0	0	0	113.8	T255 V256 I257	L253-T255 PolarHBondContact O-N 3.05Å; L253-V256 PolarHBondContact O-N 3.41Å; L253-I257 WeakPolarHBondContact O-CG1 3.48Å; L253-I257 PolarHBondContact O-N 2.96Å; L253-I257 VanDerWaalsContact O-N 3.12Å
254	P	74.9	Confident	72.4	Confident	60 Å²	60	98.8 Å²	98.8	39%	0.39	54%	0.544	S	S	.	.	H	α-helix	trans	-66.2	-35.5	-178	24.5	-33.7	0	0	0	112.7	T250 I257 I258	T250-P254 WeakPolarHBondContact O-CD 3.44Å; T250-P254 WeakPolarHBondContact O-CG 3.49Å; P254-I257 PolarHBondContact O-N 3Å; P254-I258 WeakPolarHBondContact O-CD1 3.24Å; P254-I258 VanDerWaalsContact O-CG1 3.24Å; P254-I258 WeakPolarHBondContact O-CG1 3.45Å; P254-I258 PolarHBondContact O-N 3.37Å
255	T	74.9	Confident	73.8	Confident	78 Å²	78	96.8 Å²	96.8	48%	0.479	53%	0.533	S	S	.	.	H	α-helix	trans	-67.4	-41	177.9	47.8	0	0	0	0	112.2	A251 V252 L253 I258 C259	A251-T255 WeakPolarHBondContact O-CG2 3.49Å; A251-T255 PolarHBondContact O-N 3.38Å; A251-T255 PolarHBondContact O-OG1 3.49Å; V252-T255 WeakPolarHBondContact CA-OG1 3.17Å; V252-T255 PolarHBondContact O-N 3.43Å; V252-T255 PolarHBondContact O-OG1 3.5Å; L253-T255 PolarHBondContact O-N 3.05Å; T255-I258 PolarHBondContact O-N 3.02Å; T255-C259 WeakPolarHBondContact O-CB 3.33Å; T255-C259 PolarHBondContact O-N 2.81Å; T255-C259 PolarHBondContact O-SG 3.47Å; T255-C259 VanDerWaalsContact O-SG 3.33Å
256	V	82.1	Confident	74.7	Confident	81 Å²	81	93.9 Å²	93.9	49%	0.491	52%	0.522	S	S	.	.	H	α-helix	trans	-61.2	-44.6	173	170.9	0	0	0	0	111.3	V252 L253 I258 C259 V260	V252-V256 HydrophobicContact CG1-CG2 4.19Å; V252-V256 WeakPolarHBondContact O-CG2 3.43Å; V252-V256 PolarHBondContact O-N 3.44Å; L253-V256 PolarHBondContact O-N 3.41Å; V256-I258 PolarHBondContact O-N 2.98Å; V256-C259 PolarHBondContact O-N 2.92Å; V256-V260 WeakPolarHBondContact O-CG2 3.37Å; V256-V260 PolarHBondContact O-N 3.38Å
257	I	83.2	Confident	75.4	Confident	105 Å²	105	92.3 Å²	92.3	54%	0.538	51%	0.514	S	S	.	.	H	α-helix	trans	-61.6	-44.2	178.3	-67.8	165.3	0	0	0	111.2	L253 P254 C259 V260 M261	L253-I257 WeakPolarHBondContact O-CG1 3.48Å; L253-I257 PolarHBondContact O-N 2.96Å; L253-I257 VanDerWaalsContact O-N 3.12Å; P254-I257 PolarHBondContact O-N 3Å; I257-C259 PolarHBondContact O-N 3.35Å; I257-V260 PolarHBondContact O-N 3.12Å; I257-M261 WeakPolarHBondContact O-CB 3.41Å; I257-M261 VanDerWaalsContact O-CG 3.31Å; I257-M261 WeakPolarHBondContact O-CG 3.31Å; I257-M261 PolarHBondContact O-N 3.41Å
258	I	84.3	Confident	76.3	Confident	115 Å²	115	96 Å²	96	59%	0.59	52%	0.516	S	S	*	.	H	α-helix	trans	-61.9	-43.8	177.1	-69.9	164.1	0	0	0	111	P254 T255 V256 M261 A262	P254-I258 WeakPolarHBondContact O-CD1 3.24Å; P254-I258 VanDerWaalsContact O-CG1 3.24Å; P254-I258 WeakPolarHBondContact O-CG1 3.45Å; P254-I258 PolarHBondContact O-N 3.37Å; T255-I258 PolarHBondContact O-N 3.02Å; V256-I258 PolarHBondContact O-N 2.98Å; I258-M261 PolarHBondContact O-N 3.49Å; I258-A262 WeakPolarHBondContact O-CB 3.35Å; I258-A262 PolarHBondContact O-N 3.29Å
259	C	84.6	Confident	77.5	Confident	87 Å²	87	95.5 Å²	95.5	59%	0.588	52%	0.518	S	S	*	.	H	α-helix	trans	-62.1	-43.6	177	-74	0	0	0	0	112.7	T255 V256 I257 A262 F263	T255-C259 WeakPolarHBondContact O-CB 3.33Å; T255-C259 PolarHBondContact O-N 2.81Å; T255-C259 PolarHBondContact O-SG 3.47Å; T255-C259 VanDerWaalsContact O-SG 3.33Å; V256-C259 PolarHBondContact O-N 2.92Å; I257-C259 PolarHBondContact O-N 3.35Å; C259-A262 PolarHBondContact O-N 2.97Å; C259-F263 WeakPolarHBondContact O-CB 3.41Å; C259-F263 PolarHBondContact O-N 2.97Å
260	V	87	Confident	78.1	Confident	83 Å²	83	99.7 Å²	99.7	50%	0.503	53%	0.528	S	S	.	.	H	α-helix	trans	-63.2	-44.3	175.8	170.8	0	0	0	0	111.1	V256 I257 A262 F263 C264	V256-V260 WeakPolarHBondContact O-CG2 3.37Å; V256-V260 PolarHBondContact O-N 3.38Å; I257-V260 PolarHBondContact O-N 3.12Å; V260-A262 PolarHBondContact O-N 3.4Å; V260-F263 PolarHBondContact O-N 3.23Å; V260-C264 WeakPolarHBondContact O-CB 3.33Å; V260-C264 PolarHBondContact O-N 3.33Å; V260-C264 PolarHBondContact O-SG 2.94Å; V260-C264 VanDerWaalsContact O-SG 3.38Å
261	M	86.3	Confident	78.7	Confident	119 Å²	119	103 Å²	103	59%	0.586	53%	0.534	S	S	*	.	H	α-helix	trans	-61.7	-43.7	176.8	-73.2	-68.8	-76.8	0	0	112.1	I257 I258 C264 L265	I257-M261 WeakPolarHBondContact O-CB 3.41Å; I257-M261 VanDerWaalsContact O-CG 3.31Å; I257-M261 WeakPolarHBondContact O-CG 3.31Å; I257-M261 PolarHBondContact O-N 3.41Å; I258-M261 PolarHBondContact O-N 3.49Å; M261-C264 PolarHBondContact O-N 2.87Å; M261-L265 WeakPolarHBondContact O-CG 3.33Å; M261-L265 PolarHBondContact O-N 3Å
262	A	86.9	Confident	78.6	Confident	46 Å²	46	108.8 Å²	108.8	38%	0.38	55%	0.549	S	S	.	.	H	α-helix	trans	-62.6	-44.1	175.9	0	0	0	0	0	112.2	I258 C259 V260 L265 I266	I258-A262 WeakPolarHBondContact O-CB 3.35Å; I258-A262 PolarHBondContact O-N 3.29Å; C259-A262 PolarHBondContact O-N 2.97Å; V260-A262 PolarHBondContact O-N 3.4Å; A262-L265 PolarHBondContact O-N 3.21Å; A262-I266 WeakPolarHBondContact O-CG1 3.48Å; A262-I266 PolarHBondContact O-N 3.42Å
263	F	87.3	Confident	78	Confident	129 Å²	129	114.4 Å²	114.4	57%	0.566	57%	0.568	S	S	*	*	H	α-helix	trans	-62.5	-44.5	177.1	-173.9	-110.3	0	0	0	112.1	C259 V260 L265 I266 L267	C259-F263 WeakPolarHBondContact O-CB 3.41Å; C259-F263 PolarHBondContact O-N 2.97Å; V260-F263 PolarHBondContact O-N 3.23Å; F263-L265 VanDerWaalsContact C-N 3.34Å; F263-L265 PolarHBondContact O-N 3.01Å; F263-I266 PolarHBondContact O-N 3.02Å; F263-L267 HydrophobicContact CD1-CD1 3.93Å; F263-L267 HydrophobicContact CD1-CG 4.42Å; F263-L267 HydrophobicContact CE1-CD1 3.55Å; F263-L267 HydrophobicContact CE1-CG 4.16Å; F263-L267 HydrophobicContact CZ-CD1 4.07Å; F263-L267 HydrophobicContact CZ-CD2 4.38Å; F263-L267 HydrophobicContact CZ-CG 4.3Å; F263-L267 WeakPolarHBondContact O-CG 3.44Å; F263-L267 PolarHBondContact O-N 3.38Å
264	C	84.1	Confident	77.2	Confident	66 Å²	66	117.6 Å²	117.6	45%	0.446	58%	0.576	S	S	.	*	H	α-helix	trans	-58.6	-42.5	173.6	-75.7	0	0	0	0	112.4	V260 M261 L267 W268	V260-C264 WeakPolarHBondContact O-CB 3.33Å; V260-C264 PolarHBondContact O-N 3.33Å; V260-C264 PolarHBondContact O-SG 2.94Å; V260-C264 VanDerWaalsContact O-SG 3.38Å; M261-C264 PolarHBondContact O-N 2.87Å; C264-L267 PolarHBondContact O-N 3.49Å; C264-W268 WeakPolarHBondContact O-CB 3.39Å; C264-W268 PolarHBondContact O-N 3.26Å
265	L	84.7	Confident	75.7	Confident	99 Å²	99	123.3 Å²	123.3	52%	0.518	60%	0.598	S	S	.	*	H	α-helix	trans	-64.6	-38.6	176	-72	169.6	0	0	0	112.7	M261 A262 F263 W268 K269	M261-L265 WeakPolarHBondContact O-CG 3.33Å; M261-L265 PolarHBondContact O-N 3Å; A262-L265 PolarHBondContact O-N 3.21Å; F263-L265 VanDerWaalsContact C-N 3.34Å; F263-L265 PolarHBondContact O-N 3.01Å; L265-W268 HydrophobicContact CD2-CE3 4.42Å; L265-W268 PolarHBondContact O-N 3.39Å; L265-K269 PolarHBondContact O-N 3.26Å
266	I	83.9	Confident	74.3	Confident	86 Å²	86	125 Å²	125	44%	0.441	61%	0.61	S	S	.	*	H	α-helix	trans	-63.3	-49.9	174.5	-68	163.8	0	0	0	110.2	A262 F263 W268 K269 W270	A262-I266 WeakPolarHBondContact O-CG1 3.48Å; A262-I266 PolarHBondContact O-N 3.42Å; F263-I266 PolarHBondContact O-N 3.02Å; I266-W268 VanDerWaalsContact C-N 3.28Å; I266-W268 PolarHBondContact O-N 3.44Å; I266-K269 PolarHBondContact O-N 2.93Å; I266-W270 PolarHBondContact O-N 3.33Å
267	L	80.9	Confident	71.8	Confident	78 Å²	78	132.6 Å²	132.6	41%	0.408	63%	0.63	S	S	.	*	H	α-helix	trans	-58.4	-38.3	176	-71.4	-179	0	0	0	112.4	F263 C264 W270 K271	F263-L267 HydrophobicContact CD1-CD1 3.93Å; F263-L267 HydrophobicContact CD1-CG 4.42Å; F263-L267 HydrophobicContact CE1-CD1 3.55Å; F263-L267 HydrophobicContact CE1-CG 4.16Å; F263-L267 HydrophobicContact CZ-CD1 4.07Å; F263-L267 HydrophobicContact CZ-CD2 4.38Å; F263-L267 HydrophobicContact CZ-CG 4.3Å; F263-L267 WeakPolarHBondContact O-CG 3.44Å; F263-L267 PolarHBondContact O-N 3.38Å; C264-L267 PolarHBondContact O-N 3.49Å; L267-W270 PolarHBondContact O-N 3.07Å; L267-K271 PolarHBondContact O-N 3.46Å
268	W	75.6	Confident	69.7	Low	173 Å²	173	134.6 Å²	134.6	66%	0.655	64%	0.642	S	S	*	*	H	α-helix	trans	-69.4	-39.3	179.3	-149.4	6.5	0	0	0	111.9	C264 L265 I266 K271 K272	C264-W268 WeakPolarHBondContact O-CB 3.39Å; C264-W268 PolarHBondContact O-N 3.26Å; L265-W268 HydrophobicContact CD2-CE3 4.42Å; L265-W268 PolarHBondContact O-N 3.39Å; I266-W268 VanDerWaalsContact C-N 3.28Å; I266-W268 PolarHBondContact O-N 3.44Å; W268-K271 PolarHBondContact O-N 3.47Å; W268-K272 PolarHBondContact O-N 2.88Å
269	K	77.4	Confident	67.2	Low	164 Å²	164	134.9 Å²	134.9	71%	0.713	65%	0.654	S	S	*	*	H	α-helix	trans	-68	-33.8	171.5	-72.3	-162.7	178.8	-175.5	0	112.6	L265 I266 K272 K273	L265-K269 PolarHBondContact O-N 3.26Å; I266-K269 PolarHBondContact O-N 2.93Å; K269-K272 PolarHBondContact O-N 3.17Å; K269-K273 PolarHBondContact O-N 3.33Å; K269-K273 VanDerWaalsContact O-N 3.07Å
270	W	69	Low	64.9	Low	178 Å²	178	140.6 Å²	140.6	67%	0.674	67%	0.665	S	S	*	*	H	α-helix	trans	-67.2	-43.3	172.8	-79.1	17.9	0	0	0	112.3	I266 L267 K273 K274	I266-W270 PolarHBondContact O-N 3.33Å; L267-W270 PolarHBondContact O-N 3.07Å; W270-K273 PolarHBondContact O-N 2.91Å; W270-K273 VanDerWaalsContact O-N 3.17Å; W270-K274 PolarHBondContact O-N 3.46Å
271	K	69.1	Low	62.3	Low	175 Å²	175	146 Å²	146	76%	0.761	68%	0.682	S	S	*	*	H	α-helix	trans	-59.6	-44.9	171.4	-83.3	-169.1	173.7	-177.3	0	111.7	L267 W268 K273 K274	L267-K271 PolarHBondContact O-N 3.46Å; W268-K271 PolarHBondContact O-N 3.47Å; K271-K273 PolarHBondContact O-N 3.1Å; K271-K274 PolarHBondContact O-N 2.99Å; K271-K274 VanDerWaalsContact O-N 3.1Å
272	K	57.9	Low	59.6	Low	177 Å²	177	146.5 Å²	146.5	77%	0.77	70%	0.696	S	S	*	*	H	α-helix	trans	-66.2	-17.7	176.1	-79.2	-166.1	173.4	-173.9	0	114.7	W268 K269	W268-K272 PolarHBondContact O-N 2.88Å; K269-K272 PolarHBondContact O-N 3.17Å
273	K	55.8	Low	57.1	Low	186 Å²	186	147.4 Å²	147.4	81%	0.809	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-1.6	171.5	-93.4	-167.2	172.6	-171.7	0	114.6	K269 W270 K271	K269-K273 PolarHBondContact O-N 3.33Å; K269-K273 VanDerWaalsContact O-N 3.07Å; W270-K273 PolarHBondContact O-N 2.91Å; W270-K273 VanDerWaalsContact O-N 3.17Å; K271-K273 PolarHBondContact O-N 3.1Å
274	K	52.1	Low	54.5	Low	184 Å²	184	147.8 Å²	147.8	80%	0.8	72%	0.722	S	S	*	*	S	Bend	trans	-122.7	53.2	-176	-78	-165.4	172.9	-174.2	0	114.6	W270 K271	W270-K274 PolarHBondContact O-N 3.46Å; K271-K274 PolarHBondContact O-N 2.99Å; K271-K274 VanDerWaalsContact O-N 3.1Å
275	Q	41.9	Very low	52	Low	181 Å²	181	151.3 Å²	151.3	85%	0.846	74%	0.737	S	S	*	*			trans	-151.6	157.3	148.8	-82.6	-149.1	1.9	0	0	109.3
276	P	46.2	Very low	49.6	Very low	113 Å²	113	153 Å²	153	73%	0.734	75%	0.751	S	S	*	*			cis	-121.5	169.3	4.2	41	-29.6	0	0	0	114.7
277	R	30.6	Very low	47	Very low	240 Å²	240	156.4 Å²	156.4	91%	0.906	77%	0.767	S	S	*	*				162.3	141	116.5	-161.5	167.6	-163.6	173.9	4.4	111.7
278	N	37.9	Very low	44.7	Very low	147 Å²	147	159.7 Å²	159.7	79%	0.786	78%	0.78	S	S	*	*			trans	-85.4	156.2	-173.6	-57.1	-8.2	0	0	0	113.9
279	S	32.9	Very low	42.5	Very low	122 Å²	122	160.9 Å²	160.9	85%	0.853	79%	0.785	S	S	*	*			trans	-157.9	175.3	139.6	-159.1	0	0	0	0	111.3
280	Y	36.3	Very low	40.4	Very low	207 Å²	207	161.7 Å²	161.7	81%	0.812	79%	0.791	S	S	*	*			trans	-115.2	163.8	-156.5	-78.4	-98.6	0	0	0	117.2
281	K	31.6	Very low	38.5	Very low	197 Å²	197	162.3 Å²	162.3	86%	0.857	80%	0.801	S	S	*	*			trans	103.6	124.5	163.5	-61.1	-176.1	177	-177	0	114.5
282	C	30.1	Very low	36.8	Very low	129 Å²	129	159.2 Å²	159.2	87%	0.872	80%	0.802	S	S	*	*			cis	79.6	126.9	41.5	-171.1	0	0	0	0	112.3
283	G	34	Very low	35.5	Very low	64 Å²	64	160.3 Å²	160.3	66%	0.66	81%	0.81	S	S	*	*			cis	-139.4	-157	-0.3	0	0	0	0	0	111.3
284	T	31.6	Very low	34.1	Very low	138 Å²	138	159.9 Å²	159.9	85%	0.847	81%	0.81	S	S	*	*			cis	-154	155.6	8.5	-64.4	0	0	0	0	109.3
285	N	32.2	Very low	33	Very low	140 Å²	140	157 Å²	157	75%	0.749	81%	0.808	S	S	*	*			trans	-108.8	151	-176.4	-22	-69.2	0	0	0	113.8
286	T	33.6	Very low	32.3	Very low	134 Å²	134	157.9 Å²	157.9	82%	0.822	81%	0.809	S	S	*	*			trans	-159.6	127.9	142.2	7.7	0	0	0	0	105.9
287	M	29.8	Very low	31.6	Very low	158 Å²	158	161.9 Å²	161.9	78%	0.778	82%	0.815	S	S	*	*			cis	56.3	125.4	41.1	-56.3	-169.6	72.5	0	0	110.8
288	E	32.7	Very low	31.6	Very low	146 Å²	146	160.3 Å²	160.3	68%	0.682	81%	0.809	S	S	*	*				-154.9	170	55	-91.9	-165.6	120.5	0	0	110
289	R	30	Very low	31.2	Very low	199 Å²	199	158.2 Å²	158.2	75%	0.751	80%	0.795	S	S	*	*			cis	-174	155.2	-9.4	160.1	163.7	171.2	173.2	-3.5	109.1
290	E	32.8	Very low	31.1	Very low	181 Å²	181	160.2 Å²	160.2	85%	0.846	79%	0.788	S	S	*	*			trans	-78.5	146.9	170.3	-62	174	121	0	0	111.4
291	E	29.2	Very low	30.9	Very low	190 Å²	190	157.6 Å²	157.6	89%	0.888	79%	0.787	S	S	*	*			trans	-142.3	144.1	150.5	-166.4	150.9	-122.6	0	0	109.7
292	S	33.3	Very low	30.9	Very low	110 Å²	110	155 Å²	155	77%	0.769	78%	0.782	S	S	*	*			trans	-139.8	128.4	-169.6	62	0	0	0	0	110.4
293	E	30.2	Very low	31	Very low	201 Å²	201	155 Å²	155	94%	0.939	78%	0.778	S	S	*	*			trans	-143.4	167	171	-132	-175.8	-171.7	0	0	113.6
294	Q	27	Very low	31.5	Very low	176 Å²	176	157.5 Å²	157.5	82%	0.822	78%	0.782	S	S	*	*			trans	-93.5	168.1	-168.4	-56.3	177.7	-6	0	0	112.3
295	T	29	Very low	31.4	Very low	124 Å²	124	157.6 Å²	157.6	76%	0.761	77%	0.773	S	S	*	*				166.2	95.1	114.3	-68.8	0	0	0	0	114.4
296	K	28.1	Very low	31.2	Very low	199 Å²	199	159.9 Å²	159.9	87%	0.865	77%	0.771	S	S	*	*				41.6	105.7	120.6	-167.1	-177.3	-172.2	175.1	0	121.1
297	K	30.5	Very low	31.1	Very low	197 Å²	197	157.9 Å²	157.9	86%	0.857	76%	0.763	S	S	*	*			trans	-150.1	130.7	137.8	-93.9	173.6	-177.7	172.8	0	107
298	R	31.6	Very low	31.2	Very low	207 Å²	207	156.9 Å²	156.9	78%	0.781	76%	0.761	S	S	*	*				74.3	122.6	57.1	-156.7	179.7	-158.2	-125	13.6	110
299	E	29.7	Very low	31.2	Very low	104 Å²	104	159 Å²	159	49%	0.486	77%	0.771	S	S	.	*			cis	-158.5	158.8	27.7	-140.2	161.8	132.9	0	0	114.6
300	K	29.9	Very low	31.3	Very low	164 Å²	164	153.7 Å²	153.7	71%	0.713	77%	0.769	S	S	*	*			trans	53.5	131	159.4	-72.4	146.9	178.4	162.1	0	120
301	I	31.8	Very low	31.2	Very low	151 Å²	151	153.6 Å²	153.6	77%	0.774	77%	0.769	S	S	*	*			cis	91.7	137.6	21.9	-54.4	173.9	0	0	0	115
302	N	31	Very low	31.3	Very low	144 Å²	144	151.1 Å²	151.1	77%	0.77	77%	0.771	S	S	*	*			trans	90.7	114.4	-173.8	-58	-12.8	0	0	0	114.4
303	V	32.6	Very low	31.3	Very low	129 Å²	129	152 Å²	152	78%	0.782	77%	0.771	S	S	*	*			cis	68.2	138	1.2	-175.1	0	0	0	0	115
304	P	44.7	Very low	31.4	Very low	115 Å²	115	152 Å²	152	75%	0.747	77%	0.769	S	S	*	*			cis	-113.6	-154	-5.9	45.3	-32.3	0	0	0	111.3
305	E	30.2	Very low	31.6	Very low	140 Å²	140	152.8 Å²	152.8	65%	0.654	77%	0.77	S	S	*	*			cis	-156.6	170.7	-9.1	-145.8	-164	33.5	0	0	111.5
306	R	28	Very low	31.8	Very low	189 Å²	189	152.4 Å²	152.4	71%	0.713	77%	0.772	S	S	*	*			trans	51.8	135.2	144.6	-102	-167	-172.3	90.1	12.9	125.2
307	S	30.3	Very low	32.2	Very low	92 Å²	92	151 Å²	151	64%	0.643	77%	0.773	S	S	*	*				73.5	136.7	125.5	-161.6	0	0	0	0	119.3
308	D	32.1	Very low	32.3	Very low	136 Å²	136	151 Å²	151	73%	0.727	77%	0.773	S	S	*	*			cis	-162.7	-175	-19.7	-103.6	-50.1	0	0	0	108.5
309	E	33.1	Very low	32.3	Very low	191 Å²	191	147.1 Å²	147.1	89%	0.893	77%	0.772	S	S	*	*			trans	73.3	142.9	158	-78.1	176.6	-176.9	0	0	120.4
310	A	32	Very low	32.7	Very low	88 Å²	88	147.6 Å²	147.6	73%	0.727	78%	0.784	S	S	*	*			trans	-91.6	160.4	-176.9	0	0	0	0	0	111.9
311	Q	31.8	Very low	32.7	Very low	178 Å²	178	144.6 Å²	144.6	83%	0.832	78%	0.784	S	S	*	*				-170.7	136.9	116.9	-101.3	163.9	31.6	0	0	111.4
312	C	30.8	Very low	32.7	Very low	138 Å²	138	143.6 Å²	143.6	93%	0.932	79%	0.789	S	S	*	*			trans	-89.8	122.9	162.3	-76.9	0	0	0	0	108.6
313	V	32.3	Very low	32.8	Very low	129 Å²	129	143.3 Å²	143.3	78%	0.782	79%	0.788	S	S	*	*			trans	-112.6	142.5	173	178.3	0	0	0	0	110.1
314	F	32.2	Very low	33	Very low	201 Å²	201	145.5 Å²	145.5	88%	0.882	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-68.1	146.3	-169.7	-141.9	-106.8	0	0	0	112.9
315	K	32.8	Very low	32.6	Very low	193 Å²	193	145.1 Å²	145.1	84%	0.839	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-78.1	126.1	164.9	-70	-180	179	176.9	0	109.2
316	S	31.9	Very low	33.2	Very low	116 Å²	116	144.9 Å²	144.9	81%	0.811	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-99	133.3	154.6	60.3	0	0	0	0	109.2
317	L	36.1	Very low	33.9	Very low	169 Å²	169	142.3 Å²	142.3	89%	0.885	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-101	133.8	170.7	-147.9	80.6	0	0	0	108.1
318	K	32.8	Very low	34.3	Very low	196 Å²	196	145.6 Å²	145.6	85%	0.852	80%	0.8	S	S	*	*			trans	-120.5	116.7	-175.2	-178.7	-179.1	-179.8	178.7	0	110.1
319	T	31.7	Very low	34.6	Very low	126 Å²	126	151.7 Å²	151.7	77%	0.773	82%	0.821	S	S	*	*			trans	-138.8	154	167	21.6	0	0	0	0	109.3
320	P	38.8	Very low	34.7	Very low	114 Å²	114	149.8 Å²	149.8	74%	0.74	82%	0.817	S	S	*	*			trans	-108.3	167.4	-140.1	39.6	-36.4	0	0	0	115.7
321	S	29.7	Very low	34.9	Very low	101 Å²	101	153 Å²	153	71%	0.706	82%	0.822	S	S	*	*			trans	-59.1	141.7	158.7	162.7	0	0	0	0	111.6
322	C	31.6	Very low	35	Very low	131 Å²	131	151.6 Å²	151.6	89%	0.885	82%	0.822	S	S	*	*			trans	-127.1	123.3	146.5	-76	0	0	0	0	107.1
323	D	33.8	Very low	35.3	Very low	137 Å²	137	152.4 Å²	152.4	73%	0.733	82%	0.815	S	S	*	*			trans	-143.1	127.8	175.1	-173.8	10.4	0	0	0	109.2
324	K	36.2	Very low	35.5	Very low	175 Å²	175	153.9 Å²	153.9	76%	0.761	82%	0.817	S	S	*	*			trans	178.3	112.1	162.3	-111.7	-171.7	171.7	-130.6	0	110.1	D326	K324-D326 IonicContact NZ-OD1 3.82Å
325	S	37.5	Very low	35.7	Very low	108 Å²	108	150.7 Å²	150.7	76%	0.755	81%	0.813	S	S	*	*			trans	-121.1	111.9	159.4	57	0	0	0	0	108.4
326	D	42.2	Very low	35.9	Very low	135 Å²	135	147.7 Å²	147.7	72%	0.722	81%	0.811	S	S	*	*			trans	-75.6	149.6	177.5	-67.3	-56.4	0	0	0	111.3	K324	K324-D326 IonicContact NZ-OD1 3.82Å
327	T	42.5	Very low	36.2	Very low	134 Å²	134	150.2 Å²	150.2	82%	0.822	81%	0.811	S	S	*	*			trans	-72.6	138.1	-176	45.4	0	0	0	0	114
328	H	38.4	Very low	36.2	Very low	161 Å²	161	148.6 Å²	148.6	75%	0.745	81%	0.805	S	S	*	*			trans	-157	144.2	143.2	-139.9	-81.7	0	0	0	114.7
329	F	39.5	Very low	36.5	Very low	265 Å²	265	144.3 Å²	144.3	100%	1.162	80%	0.8	S	S	*	*			trans	100.4	0	173.9	-67.4	-70.4	0	0	0	117.8

Retrieved 329 of 329 residues in 410.7 ms (Link to these results)

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