A0A060D5C9_MAIZE Loading...

NAC domain-containing protein 72

AlphaFold DB , UniProt , Accession A0A060D5C9, Species MAIZE (Zea mays, Maize), Gene NAC94, Length 329 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	60.5	Low	57.4	Low	231 Å²	231	143.2 Å²	143.2	100%	1.138	83%	0.825	S	S	*	*				0	96.6	0	-67.5	170.8	178.8	0	0	107.2	H3	M1-H3 PolarHBondContact O-N 3.25Å
2	T	54.7	Low	57.4	Low	145 Å²	145	141.3 Å²	141.3	89%	0.89	82%	0.821	S	S	*	*			trans	-84.7	104.3	179	40.5	0	0	0	0	108.3	S4	T2-S4 PolarHBondContact O-N 3.12Å
3	H	52.9	Low	57.5	Low	176 Å²	176	144.9 Å²	144.9	82%	0.815	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-72.9	116.3	172.9	-83.3	-93.4	0	0	0	109.1	M1	M1-H3 PolarHBondContact O-N 3.25Å
4	S	60.8	Low	57.6	Low	108 Å²	108	140.7 Å²	140.7	76%	0.755	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-64.4	137	164.7	-86.4	0	0	0	0	109.5	T2 L6	T2-S4 PolarHBondContact O-N 3.12Å; S4-L6 PolarHBondContact O-N 3.38Å
5	P	60.5	Low	58	Low	123 Å²	123	140.6 Å²	140.6	80%	0.799	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-69.8	125.2	174.7	28.8	-30.2	0	0	0	108.7	A7	P5-A7 PolarHBondContact O-N 3.5Å
6	L	52.8	Low	59.4	Low	172 Å²	172	134.3 Å²	134.3	90%	0.901	74%	0.744	S	S	*	*			trans	-54.6	111.3	167.6	-85.2	155.7	0	0	0	108	S4 A8	S4-L6 PolarHBondContact O-N 3.38Å; L6-A8 PolarHBondContact O-N 2.82Å; L6-A8 VanDerWaalsContact O-N 3.1Å
7	A	58.6	Low	60.9	Low	89 Å²	89	135.1 Å²	135.1	74%	0.736	74%	0.741	S	S	*	*			trans	-54.8	119	170.3	0	0	0	0	0	108	P5 I9	P5-A7 PolarHBondContact O-N 3.5Å; A7-I9 PolarHBondContact O-N 2.98Å
8	A	58	Low	62.6	Low	99 Å²	99	132.1 Å²	132.1	82%	0.818	73%	0.731	S	S	*	*			trans	-56.6	113.6	177.3	0	0	0	0	0	108.7	L6 K10	L6-A8 PolarHBondContact O-N 2.82Å; L6-A8 VanDerWaalsContact O-N 3.1Å; A8-K10 PolarHBondContact O-N 2.83Å
9	I	56	Low	64.3	Low	160 Å²	160	126.5 Å²	126.5	82%	0.821	70%	0.699	S	S	*	*			trans	-63.1	104.4	174.3	-62	172.6	0	0	0	106.2	A7	A7-I9 PolarHBondContact O-N 2.98Å
10	K	61.4	Low	65.9	Low	169 Å²	169	121 Å²	121	74%	0.735	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-55.8	123	173.6	-173.1	173.6	-175.1	168.6	0	107.5	A8	A8-K10 PolarHBondContact O-N 2.83Å
11	P	54.7	Low	67.3	Low	103 Å²	103	117.7 Å²	117.7	67%	0.669	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-57.7	144.5	-177.7	22.4	-32.3	0	0	0	110	R13	P11-R13 PolarHBondContact O-N 3.1Å
12	P	57.3	Low	69.1	Low	120 Å²	120	109.4 Å²	109.4	78%	0.779	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-56.2	135.9	177.7	23.2	-31.7	0	0	0	109.3
13	R	59.2	Low	71.1	Confident	189 Å²	189	104.8 Å²	104.8	71%	0.713	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-60.9	126.5	178.1	-73.2	-173.9	-73.1	-116	-2.6	108.7	P11 F15	P11-R13 PolarHBondContact O-N 3.1Å; R13-F15 PolarHBondContact O-N 3.08Å; R13-F15 VanDerWaalsContact O-N 3.1Å
14	P	58.5	Low	73.2	Confident	86 Å²	86	100.7 Å²	100.7	56%	0.558	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-62	117.8	173.9	23.5	-30.4	0	0	0	108.4	F16	P14-F16 HydrophobicContact CB-CD2 4.3Å; P14-F16 HydrophobicContact CB-CE2 3.82Å; P14-F16 HydrophobicContact CG-CE2 3.9Å; P14-F16 WeakPolarHBondContact O-CD2 3.5Å
15	F	64.4	Low	75	Confident	139 Å²	139	95.6 Å²	95.6	61%	0.61	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	119.7	171.5	-167	-91.4	0	0	0	107.4	R13 H67	R13-F15 PolarHBondContact O-N 3.08Å; R13-F15 VanDerWaalsContact O-N 3.1Å; F15-H67 HydrophobicContact CE1-CB 4.03Å; F15-H67 AromaticContact CE1-CD2 3.93Å; F15-H67 HydrophobicContact CZ-CB 4.26Å
16	F	80.3	Confident	76.7	Confident	40 Å²	40	89.7 Å²	89.7	18%	0.175	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	134	178.8	-79.6	-105.8	0	0	0	109.3	P14 S18 F43 V64 V65 A66 H67	P14-F16 HydrophobicContact CB-CD2 4.3Å; P14-F16 HydrophobicContact CB-CE2 3.82Å; P14-F16 HydrophobicContact CG-CE2 3.9Å; P14-F16 WeakPolarHBondContact O-CD2 3.5Å; F16-S18 VanDerWaalsContact C-N 3.26Å; F16-S18 PolarHBondContact O-N 2.85Å; F16-F43 HydrophobicContact CE1-CD1 4.07Å; F16-F43 HydrophobicContact CE1-CE1 4.07Å; F16-F43 HydrophobicContact CE1-CG 4.38Å; F16-F43 HydrophobicContact CE1-CZ 4.42Å; F16-F43 HydrophobicContact CE2-CB 4.19Å; F16-F43 HydrophobicContact CE2-CD1 4.48Å; F16-F43 HydrophobicContact CE2-CG 4.3Å; F16-F43 HydrophobicContact CZ-CB 3.94Å; F16-F43 AromaticContact CZ-CD1 3.45Å; F16-F43 HydrophobicContact CZ-CD1 3.45Å; F16-F43 VanDerWaalsContact CZ-CD1 3.45Å; F16-F43 HydrophobicContact CZ-CD2 4.22Å; F16-F43 AromaticContact CZ-CE1 3.94Å; F16-F43 HydrophobicContact CZ-CE1 3.94Å; F16-F43 AromaticContact CZ-CG 3.6Å; F16-F43 HydrophobicContact CZ-CG 3.6Å; F16-V64 HydrophobicContact CB-CG1 3.89Å; F16-V64 HydrophobicContact CD1-CG1 4.15Å; F16-V64 HydrophobicContact CD2-CB 4.28Å; F16-V64 HydrophobicContact CD2-CG1 3.37Å; F16-V64 HydrophobicContact CD2-CG2 4.19Å; F16-V64 HydrophobicContact CE2-CB 4.37Å; F16-V64 HydrophobicContact CE2-CG1 3.85Å; F16-V64 HydrophobicContact CE2-CG2 3.78Å; F16-V64 HydrophobicContact CG-CG1 3.53Å; F16-V64 HydrophobicContact CZ-CG1 4.43Å; F16-V64 HydrophobicContact CZ-CG2 4.15Å; F16-V65 PolarHBondContact N-O 3.05Å; F16-A66 CarbonylContact O-C 3.59Å; F16-A66 WeakPolarHBondContact O-CA 3.39Å; F16-H67 PolarHBondContact O-N 3.09Å; F16-H67 VanDerWaalsContact O-N 3.09Å
17	Q	85	Confident	78.8	Confident	148 Å²	148	83.7 Å²	83.7	69%	0.692	46%	0.461	S	S	*	.	S	Bend	trans	-61.3	-42.3	171.6	-173.5	61.6	20.2	0	0	110.3	H67	Q17-H67 VanDerWaalsContact O-CB 3.32Å; Q17-H67 WeakPolarHBondContact O-CB 3.35Å
18	S	91.3	Very high	80.6	Confident	80 Å²	80	82.1 Å²	82.1	56%	0.559	45%	0.445	S	S	*	.	S	Bend	trans	-148	160.9	174.1	57.4	0	0	0	0	110.3	F16	F16-S18 VanDerWaalsContact C-N 3.26Å; F16-S18 PolarHBondContact O-N 2.85Å
19	H	94.6	Very high	82.5	Confident	27 Å²	27	79.7 Å²	79.7	13%	0.125	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-63.2	144.9	166.6	-75.1	-68.7	0	0	0	110.4	A66 E70 A72 Y74	H19-A66 WeakPolarHBondContact NE2-CB 3.39Å; H19-E70 PolarHBondContact NE2-O 2.86Å; H19-A72 VanDerWaalsContact CE1-CB 3.43Å; H19-A72 WeakPolarHBondContact CE1-CB 3.46Å; H19-Y74 WeakPolarHBondContact CB-OH 3.44Å; H19-Y74 AromaticContact ND1-CE2 3.69Å; H19-Y74 AromaticContact ND1-CZ 3.78Å; H19-Y74 PolarHBondContact ND1-OH 3.04Å
20	P	95.6	Very high	84.5	Confident	16 Å²	16	72 Å²	72	10%	0.104	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-55.9	140.3	173	-24.2	32	0	0	0	112	E24 L25 Y29 F43	P20-E24 HydrophobicContact CB-CB 4.29Å; P20-L25 HydrophobicContact CB-CD2 3.71Å; P20-L25 HydrophobicContact CB-CG 4.01Å; P20-L25 HydrophobicContact CG-CD2 4.21Å; P20-Y29 HydrophobicContact CB-CE2 4.42Å; P20-F43 HydrophobicContact CG-CE2 4.03Å; P20-F43 HydrophobicContact CG-CZ 3.79Å
21	S	95.9	Very high	86.1	Confident	52 Å²	52	66.3 Å²	66.3	36%	0.364	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-66.9	160.3	173.8	67.6	0	0	0	0	111.6	T23 E24 L25	S21-T23 PolarHBondContact O-N 3.09Å; S21-E24 VanDerWaalsContact CB-OE2 3.29Å; S21-E24 WeakPolarHBondContact CB-OE2 3.4Å; S21-E24 PolarHBondContact N-OE2 3.21Å; S21-E24 PolarHBondContact O-N 3.24Å; S21-E24 VanDerWaalsContact OG-CG 3.28Å; S21-E24 WeakPolarHBondContact OG-CG 3.37Å; S21-E24 PolarHBondContact OG-N 2.96Å; S21-E24 PolarHBondContact OG-OE2 3.49Å; S21-L25 VanDerWaalsContact O-CG 3.31Å; S21-L25 WeakPolarHBondContact O-CG 3.23Å; S21-L25 PolarHBondContact O-N 2.82Å
22	H	97.7	Very high	88.1	Confident	56 Å²	56	62.9 Å²	62.9	26%	0.259	33%	0.327	S	S	.	.	H	α-helix	trans	-58	-36.9	176.8	-57.7	-56	0	0	0	112.5	L25 V26 V107 R121 M143 H145	H22-L25 PolarHBondContact O-N 2.89Å; H22-V26 WeakPolarHBondContact O-CG2 3.45Å; H22-V26 PolarHBondContact O-N 3.19Å; H22-V107 HydrophobicContact CB-CG1 3.99Å; H22-V107 HydrophobicContact CB-CG2 4.07Å; H22-R121 VanDerWaalsContact CD2-CZ 3.44Å; H22-R121 PolarHBondContact CD2-NH1 2.86Å; H22-M143 PolarHBondContact CE1-SD 3.42Å; H22-H145 AromaticContact CE1-NE2 3.99Å; H22-H145 AromaticContact CG-NE2 3.95Å; H22-H145 AromaticContact ND1-CD2 3.97Å; H22-H145 AromaticContact ND1-NE2 3.03Å; H22-H145 PolarHBondContact ND1-NE2 2.78Å
23	T	97.3	Very high	90	Very high	48 Å²	48	57.9 Å²	57.9	29%	0.294	29%	0.292	S	S	.	.	H	α-helix	trans	-66.2	-46.4	178	-53.9	0	0	0	0	110.8	S21 L25 V26 D27 F108 M109 I118	S21-T23 PolarHBondContact O-N 3.09Å; T23-L25 PolarHBondContact O-N 3Å; T23-V26 PolarHBondContact O-N 3.47Å; T23-D27 VanDerWaalsContact O-CB 3.23Å; T23-D27 WeakPolarHBondContact O-CB 3.32Å; T23-D27 PolarHBondContact O-N 2.99Å; T23-F108 PolarHBondContact OG1-O 2.98Å; T23-M109 HydrophobicContact CG2-CB 3.86Å; T23-M109 HydrophobicContact CG2-CG 4.16Å; T23-I118 HydrophobicContact CG2-CD1 4.03Å
24	E	97	Very high	91.7	Very high	90 Å²	90	49.7 Å²	49.7	42%	0.421	26%	0.263	S	S	.	.	H	α-helix	trans	-61.2	-43.5	175.1	-71.6	163.3	132	0	0	111.8	P20 S21 V26 S28 Y29	P20-E24 HydrophobicContact CB-CB 4.29Å; S21-E24 VanDerWaalsContact CB-OE2 3.29Å; S21-E24 WeakPolarHBondContact CB-OE2 3.4Å; S21-E24 PolarHBondContact N-OE2 3.21Å; S21-E24 PolarHBondContact O-N 3.24Å; S21-E24 VanDerWaalsContact OG-CG 3.28Å; S21-E24 WeakPolarHBondContact OG-CG 3.37Å; S21-E24 PolarHBondContact OG-N 2.96Å; S21-E24 PolarHBondContact OG-OE2 3.49Å; E24-V26 VanDerWaalsContact C-N 3.34Å; E24-V26 PolarHBondContact O-N 3.11Å; E24-S28 WeakPolarHBondContact O-CB 3.22Å; E24-S28 PolarHBondContact O-N 2.85Å; E24-Y29 HydrophobicContact CB-CE2 4.48Å; E24-Y29 VanDerWaalsContact O-CD2 3.24Å; E24-Y29 WeakPolarHBondContact O-CD2 2.98Å; E24-Y29 PolarHBondContact O-N 2.78Å
25	L	98.1	Very high	93.4	Very high	1 Å²	1	50 Å²	50	1%	0.005	26%	0.257	C	S	.	.	I	π-helix	trans	-57.7	-44.9	177.3	-68.7	177.8	0	0	0	112.3	P20 S21 H22 T23 Y29 L30 Y74 H145 L168	P20-L25 HydrophobicContact CB-CD2 3.71Å; P20-L25 HydrophobicContact CB-CG 4.01Å; P20-L25 HydrophobicContact CG-CD2 4.21Å; S21-L25 VanDerWaalsContact O-CG 3.31Å; S21-L25 WeakPolarHBondContact O-CG 3.23Å; S21-L25 PolarHBondContact O-N 2.82Å; H22-L25 PolarHBondContact O-N 2.89Å; T23-L25 PolarHBondContact O-N 3Å; L25-Y29 HydrophobicContact CD2-CD2 4.32Å; L25-L30 WeakPolarHBondContact O-CB 3.49Å; L25-L30 PolarHBondContact O-N 3.3Å; L25-Y74 HydrophobicContact CD1-CE1 4Å; L25-Y74 HydrophobicContact CD2-CD1 3.89Å; L25-Y74 HydrophobicContact CD2-CE1 3.72Å; L25-Y74 HydrophobicContact CG-CE1 4.49Å; L25-H145 VanDerWaalsContact CD1-CE1 3.47Å; L25-H145 WeakPolarHBondContact CD1-CE1 3.38Å; L25-L168 HydrophobicContact CB-CD1 4.41Å; L25-L168 HydrophobicContact CB-CD2 4.32Å; L25-L168 HydrophobicContact CD1-CD2 4.31Å; L25-L168 HydrophobicContact CD2-CD1 4.14Å; L25-L168 HydrophobicContact CD2-CD2 3.81Å; L25-L168 HydrophobicContact CG-CD2 4.36Å
26	V	97.7	Very high	94.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.257	C	S	.	.	I	π-helix	trans	-74.6	-49.2	179.8	176.4	0	0	0	0	110.9	H22 T23 E24 L30 R31 V107 I118 H145 L147	H22-V26 WeakPolarHBondContact O-CG2 3.45Å; H22-V26 PolarHBondContact O-N 3.19Å; T23-V26 PolarHBondContact O-N 3.47Å; E24-V26 VanDerWaalsContact C-N 3.34Å; E24-V26 PolarHBondContact O-N 3.11Å; V26-L30 WeakPolarHBondContact O-CB 3.36Å; V26-L30 PolarHBondContact O-N 3.25Å; V26-R31 WeakPolarHBondContact O-CB 3.38Å; V26-R31 PolarHBondContact O-N 2.97Å; V26-V107 HydrophobicContact CB-CG1 4.38Å; V26-V107 HydrophobicContact CG2-CB 4.24Å; V26-V107 HydrophobicContact CG2-CG1 4Å; V26-V107 HydrophobicContact CG2-CG2 4.25Å; V26-I118 HydrophobicContact CB-CD1 3.82Å; V26-I118 HydrophobicContact CB-CG1 4.33Å; V26-I118 HydrophobicContact CG1-CB 4.18Å; V26-I118 HydrophobicContact CG1-CD1 3.7Å; V26-I118 HydrophobicContact CG1-CG1 3.84Å; V26-H145 HydrophobicContact CG2-CB 4.06Å; V26-L147 HydrophobicContact CG1-CD1 3.64Å
27	D	96.3	Very high	95.5	Very high	45 Å²	45	49.1 Å²	49.1	24%	0.241	27%	0.272	C	S	.	.	I	π-helix	trans	-84.9	-44	-168	-171.9	63.1	0	0	0	114.5	T23 R31 M109 I118	T23-D27 VanDerWaalsContact O-CB 3.23Å; T23-D27 WeakPolarHBondContact O-CB 3.32Å; T23-D27 PolarHBondContact O-N 2.99Å; D27-R31 VanDerWaalsContact O-CB 3.25Å; D27-R31 WeakPolarHBondContact O-CB 3.48Å; D27-R31 IonicContact OD1-CZ 2.7Å; D27-R31 IonicContact OD1-NE 3.21Å; D27-R31 PolarHBondContact OD1-NE 3.47Å; D27-R31 IonicContact OD1-NH2 3.75Å; D27-M109 HydrophobicContact CB-CE 3.51Å; D27-M109 WeakPolarHBondContact OD1-CE 3.41Å; D27-M109 WeakPolarHBondContact OD2-CE 3.19Å; D27-I118 HydrophobicContact CB-CD1 3.95Å
28	S	96.2	Very high	96	Very high	57 Å²	57	45.8 Å²	45.8	40%	0.399	26%	0.261	S	S	.	.	I	π-helix	trans	-88.8	-21.4	-173.5	-49.8	0	0	0	0	113.4	E24 T32 T40	E24-S28 WeakPolarHBondContact O-CB 3.22Å; E24-S28 PolarHBondContact O-N 2.85Å; S28-T32 PolarHBondContact O-OG1 3.26Å; S28-T40 PolarHBondContact O-OG1 2.78Å; S28-T40 VanDerWaalsContact O-OG1 3.11Å
29	Y	97.8	Very high	96.2	Very high	47 Å²	47	46.4 Å²	46.4	18%	0.184	25%	0.254	C	S	.	.	I	π-helix	trans	-118	-52.3	-174.5	-59.3	-73.9	0	0	0	113.1	P20 E24 L25 W33 T40 F43 I44 Y76	P20-Y29 HydrophobicContact CB-CE2 4.42Å; E24-Y29 HydrophobicContact CB-CE2 4.48Å; E24-Y29 VanDerWaalsContact O-CD2 3.24Å; E24-Y29 WeakPolarHBondContact O-CD2 2.98Å; E24-Y29 PolarHBondContact O-N 2.78Å; L25-Y29 HydrophobicContact CD2-CD2 4.32Å; Y29-W33 PolarHBondContact O-N 2.74Å; Y29-T40 WeakPolarHBondContact CD1-OG1 3.29Å; Y29-F43 AromaticContact CE1-CE1 3.81Å; Y29-F43 HydrophobicContact CE1-CE1 3.81Å; Y29-F43 AromaticContact CE1-CZ 3.94Å; Y29-F43 HydrophobicContact CE1-CZ 3.94Å; Y29-F43 HydrophobicContact CE2-CZ 4.03Å; Y29-F43 AromaticContact CZ-CE1 3.73Å; Y29-F43 AromaticContact CZ-CZ 3.64Å; Y29-I44 HydrophobicContact CD1-CD1 3.49Å; Y29-I44 VanDerWaalsContact CD1-CD1 3.49Å; Y29-I44 HydrophobicContact CD2-CD1 4.3Å; Y29-I44 HydrophobicContact CE1-CD1 4.18Å; Y29-I44 HydrophobicContact CG-CD1 3.57Å; Y29-Y76 PolarHBondContact O-OH 2.83Å
30	L	97.8	Very high	96.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.261	C	S	.	.	I	π-helix	trans	-74.2	-45.1	-177.3	-178.5	59.4	0	0	0	111.6	L25 V26 T32 W33 V34 H145 L147 L168	L25-L30 WeakPolarHBondContact O-CB 3.49Å; L25-L30 PolarHBondContact O-N 3.3Å; V26-L30 WeakPolarHBondContact O-CB 3.36Å; V26-L30 PolarHBondContact O-N 3.25Å; L30-T32 PolarHBondContact O-N 2.87Å; L30-W33 HydrophobicContact CD1-CE3 3.91Å; L30-W33 HydrophobicContact CD1-CZ3 4.38Å; L30-W33 PolarHBondContact O-N 3.09Å; L30-W33 VanDerWaalsContact O-N 3.17Å; L30-V34 HydrophobicContact CD1-CG2 3.9Å; L30-V34 HydrophobicContact CG-CG2 4.18Å; L30-V34 VanDerWaalsContact O-CG2 3.28Å; L30-V34 WeakPolarHBondContact O-CG2 3.41Å; L30-V34 PolarHBondContact O-N 2.66Å; L30-H145 HydrophobicContact CD2-CB 4.5Å; L30-H145 WeakPolarHBondContact CD2-O 3.46Å; L30-L147 HydrophobicContact CD2-CB 4.03Å; L30-L147 HydrophobicContact CG-CB 4.2Å; L30-L168 HydrophobicContact CB-CB 4.26Å; L30-L168 HydrophobicContact CB-CD1 4.48Å; L30-L168 HydrophobicContact CD1-CB 4.28Å; L30-L168 HydrophobicContact CD2-CB 4.41Å
31	R	96.3	Very high	96.1	Very high	48 Å²	48	47.5 Å²	47.5	18%	0.181	27%	0.267	C	S	.	.	H	α-helix	trans	-55.6	-51.8	178	-173	-175.4	-65.9	-76.7	3.5	112	V26 D27 W33 V34 E35 L147	V26-R31 WeakPolarHBondContact O-CB 3.38Å; V26-R31 PolarHBondContact O-N 2.97Å; D27-R31 VanDerWaalsContact O-CB 3.25Å; D27-R31 WeakPolarHBondContact O-CB 3.48Å; D27-R31 IonicContact OD1-CZ 2.7Å; D27-R31 IonicContact OD1-NE 3.21Å; D27-R31 PolarHBondContact OD1-NE 3.47Å; D27-R31 IonicContact OD1-NH2 3.75Å; R31-W33 PolarHBondContact O-N 2.86Å; R31-V34 PolarHBondContact O-N 3.16Å; R31-E35 WeakPolarHBondContact CD-OE2 3.46Å; R31-E35 HydrophobicContact CG-CG 4.11Å; R31-E35 WeakPolarHBondContact CG-OE1 3.41Å; R31-E35 WeakPolarHBondContact CG-OE2 3.4Å; R31-E35 IonicContact NH1-OE1 2.96Å; R31-E35 PolarHBondContact NH1-OE1 2.86Å; R31-E35 WeakPolarHBondContact O-CB 3.33Å; R31-E35 PolarHBondContact O-N 3.28Å; R31-L147 HydrophobicContact CB-CD1 4.05Å; R31-L147 HydrophobicContact CB-CD2 4.27Å; R31-L147 HydrophobicContact CG-CD1 4.36Å; R31-L147 HydrophobicContact CG-CD2 4.27Å
32	T	96.5	Very high	96	Very high	32 Å²	32	50.3 Å²	50.3	20%	0.196	29%	0.293	C	S	.	.	H	α-helix	trans	-56.5	-38.4	177.9	-49	0	0	0	0	112.2	S28 L30 D36 G37 V38 T40	S28-T32 PolarHBondContact O-OG1 3.26Å; L30-T32 PolarHBondContact O-N 2.87Å; T32-D36 HydrophobicContact CG2-CB 4.42Å; T32-D36 WeakPolarHBondContact O-CA 3.39Å; T32-D36 VanDerWaalsContact O-CB 3.3Å; T32-D36 WeakPolarHBondContact O-CB 3.47Å; T32-D36 PolarHBondContact O-N 2.97Å; T32-G37 PolarHBondContact O-N 3.5Å; T32-V38 CarbonylContact C-O 3.28Å; T32-V38 VanDerWaalsContact C-O 3.28Å; T32-V38 HydrophobicContact CG2-CB 4.11Å; T32-V38 PolarHBondContact O-N 2.93Å; T32-T40 HydrophobicContact CG2-CG2 3.78Å
33	W	96.8	Very high	95.9	Very high	15 Å²	15	48.6 Å²	48.6	6%	0.057	29%	0.285	C	S	.	.	H	α-helix	trans	-71.7	-37.8	175.7	178.1	35	0	0	0	113	Y29 L30 R31 G37 V38 K39 Y76 S77 L78 R166	Y29-W33 PolarHBondContact O-N 2.74Å; L30-W33 HydrophobicContact CD1-CE3 3.91Å; L30-W33 HydrophobicContact CD1-CZ3 4.38Å; L30-W33 PolarHBondContact O-N 3.09Å; L30-W33 VanDerWaalsContact O-N 3.17Å; R31-W33 PolarHBondContact O-N 2.86Å; W33-G37 VanDerWaalsContact O-CA 3.31Å; W33-G37 WeakPolarHBondContact O-CA 3.49Å; W33-G37 PolarHBondContact O-N 3.03Å; W33-V38 VanDerWaalsContact CA-O 3.26Å; W33-V38 WeakPolarHBondContact CA-O 3.39Å; W33-V38 PolarHBondContact N-O 2.7Å; W33-K39 HydrophobicContact CB-CG 4.35Å; W33-K39 HydrophobicContact CD2-CG 4.28Å; W33-K39 VanDerWaalsContact CE2-CE 3.49Å; W33-K39 HydrophobicContact CG-CG 3.8Å; W33-Y76 HydrophobicContact CB-CE1 4Å; W33-Y76 AromaticContact CD2-CD1 3.8Å; W33-Y76 HydrophobicContact CD2-CD1 3.8Å; W33-Y76 HydrophobicContact CD2-CE1 4.16Å; W33-Y76 HydrophobicContact CD2-CG 4.25Å; W33-Y76 AromaticContact CE3-CD1 3.13Å; W33-Y76 HydrophobicContact CE3-CD1 3.13Å; W33-Y76 AromaticContact CE3-CE1 3.7Å; W33-Y76 HydrophobicContact CE3-CE1 3.7Å; W33-Y76 AromaticContact CE3-CG 3.83Å; W33-Y76 HydrophobicContact CE3-CG 3.83Å; W33-Y76 HydrophobicContact CG-CD1 4.41Å; W33-Y76 HydrophobicContact CG-CE1 4.32Å; W33-Y76 HydrophobicContact CH2-CD1 4.49Å; W33-Y76 AromaticContact CZ3-CD1 3.54Å; W33-Y76 HydrophobicContact CZ3-CD1 3.54Å; W33-Y76 HydrophobicContact CZ3-CE1 4.5Å; W33-Y76 AromaticContact CZ3-CG 3.99Å; W33-Y76 HydrophobicContact CZ3-CG 3.99Å; W33-S77 WeakPolarHBondContact CH2-O 3.24Å; W33-L78 HydrophobicContact CH2-CD2 4Å; W33-L78 HydrophobicContact CZ2-CD2 4.11Å; W33-R166 HydrophobicContact CD2-CB 4.36Å; W33-R166 HydrophobicContact CD2-CG 4.36Å; W33-R166 HydrophobicContact CE3-CB 3.89Å; W33-R166 HydrophobicContact CE3-CG 4.31Å; W33-R166 HydrophobicContact CH2-CB 3.88Å; W33-R166 HydrophobicContact CH2-CG 3.76Å; W33-R166 HydrophobicContact CZ2-CB 4.29Å; W33-R166 HydrophobicContact CZ2-CG 3.74Å; W33-R166 HydrophobicContact CZ3-CB 3.65Å; W33-R166 HydrophobicContact CZ3-CG 4.04Å; W33-R166 PolarHBondContact O-NH1 3.33Å
34	V	94.9	Very high	95.9	Very high	16 Å²	16	47 Å²	47	10%	0.097	28%	0.275	C	S	.	.	H	α-helix	trans	-72.8	-45.3	-178.8	175.3	0	0	0	0	111.6	L30 R31 L147 K155 Q157 R166	L30-V34 HydrophobicContact CD1-CG2 3.9Å; L30-V34 HydrophobicContact CG-CG2 4.18Å; L30-V34 VanDerWaalsContact O-CG2 3.28Å; L30-V34 WeakPolarHBondContact O-CG2 3.41Å; L30-V34 PolarHBondContact O-N 2.66Å; R31-V34 PolarHBondContact O-N 3.16Å; V34-L147 HydrophobicContact CB-CD2 3.67Å; V34-L147 HydrophobicContact CG1-CD2 3.76Å; V34-L147 HydrophobicContact CG2-CD2 3.96Å; V34-K155 HydrophobicContact CG1-CB 4.06Å; V34-K155 HydrophobicContact CG1-CD 3.83Å; V34-K155 HydrophobicContact CG1-CG 4.39Å; V34-Q157 PolarHBondContact O-NE2 2.83Å; V34-R166 HydrophobicContact CG2-CB 3.83Å
35	E	94.1	Very high	95.9	Very high	92 Å²	92	44.6 Å²	44.6	43%	0.43	26%	0.264	S	S	.	.	H	α-helix	trans	-88.8	-47.1	-171.8	-65.8	176.5	-179.8	0	0	112.1	R31 K155	R31-E35 WeakPolarHBondContact CD-OE2 3.46Å; R31-E35 HydrophobicContact CG-CG 4.11Å; R31-E35 WeakPolarHBondContact CG-OE1 3.41Å; R31-E35 WeakPolarHBondContact CG-OE2 3.4Å; R31-E35 IonicContact NH1-OE1 2.96Å; R31-E35 PolarHBondContact NH1-OE1 2.86Å; R31-E35 WeakPolarHBondContact O-CB 3.33Å; R31-E35 PolarHBondContact O-N 3.28Å; E35-K155 IonicContact OE1-NZ 3.15Å; E35-K155 PolarHBondContact OE1-NZ 3.01Å
36	D	93.9	Very high	95.8	Very high	113 Å²	113	48.8 Å²	48.8	60%	0.604	29%	0.286	S	S	*	.	S	Bend	trans	-96.2	-10	-175.3	-51.7	-46.2	0	0	0	112.8	T32 V38	T32-D36 HydrophobicContact CG2-CB 4.42Å; T32-D36 WeakPolarHBondContact O-CA 3.39Å; T32-D36 VanDerWaalsContact O-CB 3.3Å; T32-D36 WeakPolarHBondContact O-CB 3.47Å; T32-D36 PolarHBondContact O-N 2.97Å; D36-V38 HydrophobicContact CB-CB 4.39Å; D36-V38 HydrophobicContact CB-CG2 4.19Å; D36-V38 PolarHBondContact O-N 2.61Å
37	G	94	Very high	95.7	Very high	48 Å²	48	49.6 Å²	49.6	50%	0.495	29%	0.293	S	S	.	.			trans	70.2	9.6	-172.2	0	0	0	0	0	113.6	T32 W33	T32-G37 PolarHBondContact O-N 3.5Å; W33-G37 VanDerWaalsContact O-CA 3.31Å; W33-G37 WeakPolarHBondContact O-CA 3.49Å; W33-G37 PolarHBondContact O-N 3.03Å
38	V	95.6	Very high	95.6	Very high	78 Å²	78	51.3 Å²	51.3	47%	0.473	30%	0.302	S	S	.	.			trans	-102.2	119.3	-175.9	179.5	0	0	0	0	110.1	T32 W33 D36 T40	T32-V38 CarbonylContact C-O 3.28Å; T32-V38 VanDerWaalsContact C-O 3.28Å; T32-V38 HydrophobicContact CG2-CB 4.11Å; T32-V38 PolarHBondContact O-N 2.93Å; W33-V38 VanDerWaalsContact CA-O 3.26Å; W33-V38 WeakPolarHBondContact CA-O 3.39Å; W33-V38 PolarHBondContact N-O 2.7Å; D36-V38 HydrophobicContact CB-CB 4.39Å; D36-V38 HydrophobicContact CB-CG2 4.19Å; D36-V38 PolarHBondContact O-N 2.61Å; V38-T40 HydrophobicContact CG1-CG2 4.19Å
39	K	96.5	Very high	95.6	Very high	93 Å²	93	48.6 Å²	48.6	40%	0.404	28%	0.283	S	S	.	.			trans	-81.3	124.7	172.1	-67	177.7	-167	173.4	0	109.4	W33 D46 Y76	W33-K39 HydrophobicContact CB-CG 4.35Å; W33-K39 HydrophobicContact CD2-CG 4.28Å; W33-K39 VanDerWaalsContact CE2-CE 3.49Å; W33-K39 HydrophobicContact CG-CG 3.8Å; K39-D46 VanDerWaalsContact CD-OD1 3.3Å; K39-D46 WeakPolarHBondContact CD-OD1 3.49Å; K39-D46 WeakPolarHBondContact CD-OD2 3.43Å; K39-D46 VanDerWaalsContact CE-OD1 3.27Å; K39-D46 WeakPolarHBondContact CE-OD1 3.29Å; K39-D46 IonicContact NZ-OD1 2.7Å; K39-D46 PolarHBondContact NZ-OD1 3.07Å; K39-D46 IonicContact NZ-OD2 2.61Å; K39-D46 PolarHBondContact NZ-OD2 2.83Å; K39-Y76 HydrophobicContact CB-CD2 4.02Å; K39-Y76 HydrophobicContact CB-CE2 3.62Å; K39-Y76 HydrophobicContact CD-CD2 3.82Å; K39-Y76 HydrophobicContact CD-CE2 4.31Å; K39-Y76 HydrophobicContact CD-CG 4.32Å; K39-Y76 HydrophobicContact CG-CD2 3.85Å; K39-Y76 HydrophobicContact CG-CE2 3.87Å; K39-Y76 HydrophobicContact CG-CG 4.39Å
40	T	95	Very high	95.4	Very high	43 Å²	43	46.5 Å²	46.5	26%	0.264	28%	0.275	S	S	.	.			trans	-113.8	166.5	178.6	59.2	0	0	0	0	110.1	S28 Y29 T32 V38 Y76	S28-T40 PolarHBondContact O-OG1 2.78Å; S28-T40 VanDerWaalsContact O-OG1 3.11Å; Y29-T40 WeakPolarHBondContact CD1-OG1 3.29Å; T32-T40 HydrophobicContact CG2-CG2 3.78Å; V38-T40 HydrophobicContact CG1-CG2 4.19Å; T40-Y76 PolarHBondContact N-OH 2.85Å; T40-Y76 WeakPolarHBondContact O-CE2 3.38Å; T40-Y76 PolarHBondContact O-OH 3.42Å
41	G	93.4	Very high	95.1	Very high	23 Å²	23	48 Å²	48	24%	0.237	29%	0.29	C	S	.	.			trans	77.1	93.8	-178.9	0	0	0	0	0	113	F43 I44	G41-F43 PolarHBondContact O-N 2.56Å; G41-I44 WeakPolarHBondContact O-CB 3.39Å; G41-I44 PolarHBondContact O-N 3.16Å
42	A	93.4	Very high	95	Very high	111 Å²	111	47.5 Å²	47.5	92%	0.917	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-7	-179.9	0	0	0	0	0	115.2
43	F	94.5	Very high	94.8	Very high	20 Å²	20	47.6 Å²	47.6	9%	0.088	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-7.6	175.4	67	-88	0	0	0	113.4	F16 P20 Y29 G41 H45 V64 Y74	F16-F43 HydrophobicContact CE1-CD1 4.07Å; F16-F43 HydrophobicContact CE1-CE1 4.07Å; F16-F43 HydrophobicContact CE1-CG 4.38Å; F16-F43 HydrophobicContact CE1-CZ 4.42Å; F16-F43 HydrophobicContact CE2-CB 4.19Å; F16-F43 HydrophobicContact CE2-CD1 4.48Å; F16-F43 HydrophobicContact CE2-CG 4.3Å; F16-F43 HydrophobicContact CZ-CB 3.94Å; F16-F43 AromaticContact CZ-CD1 3.45Å; F16-F43 HydrophobicContact CZ-CD1 3.45Å; F16-F43 VanDerWaalsContact CZ-CD1 3.45Å; F16-F43 HydrophobicContact CZ-CD2 4.22Å; F16-F43 AromaticContact CZ-CE1 3.94Å; F16-F43 HydrophobicContact CZ-CE1 3.94Å; F16-F43 AromaticContact CZ-CG 3.6Å; F16-F43 HydrophobicContact CZ-CG 3.6Å; P20-F43 HydrophobicContact CG-CE2 4.03Å; P20-F43 HydrophobicContact CG-CZ 3.79Å; Y29-F43 AromaticContact CE1-CE1 3.81Å; Y29-F43 HydrophobicContact CE1-CE1 3.81Å; Y29-F43 AromaticContact CE1-CZ 3.94Å; Y29-F43 HydrophobicContact CE1-CZ 3.94Å; Y29-F43 HydrophobicContact CE2-CZ 4.03Å; Y29-F43 AromaticContact CZ-CE1 3.73Å; Y29-F43 AromaticContact CZ-CZ 3.64Å; G41-F43 PolarHBondContact O-N 2.56Å; F43-H45 PolarHBondContact O-NE2 3.35Å; F43-V64 HydrophobicContact CB-CG2 3.67Å; F43-V64 HydrophobicContact CD2-CG2 3.52Å; F43-V64 HydrophobicContact CE2-CG2 4.44Å; F43-V64 HydrophobicContact CG-CG2 3.87Å; F43-Y74 AromaticContact CD2-CD2 3.79Å; F43-Y74 HydrophobicContact CD2-CD2 3.79Å; F43-Y74 AromaticContact CD2-CG 3.97Å; F43-Y74 HydrophobicContact CD2-CG 3.97Å; F43-Y74 HydrophobicContact CE2-CD1 4.27Å; F43-Y74 AromaticContact CE2-CD2 3.91Å; F43-Y74 HydrophobicContact CE2-CD2 3.91Å; F43-Y74 HydrophobicContact CE2-CE2 4.42Å; F43-Y74 AromaticContact CE2-CG 3.83Å; F43-Y74 HydrophobicContact CE2-CG 3.83Å
44	I	97.4	Very high	94.7	Very high	15 Å²	15	46.9 Å²	46.9	8%	0.077	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	122.1	178.4	-49.3	178.1	0	0	0	107.7	Y29 G41 Y74 Y76 L168	Y29-I44 HydrophobicContact CD1-CD1 3.49Å; Y29-I44 VanDerWaalsContact CD1-CD1 3.49Å; Y29-I44 HydrophobicContact CD2-CD1 4.3Å; Y29-I44 HydrophobicContact CE1-CD1 4.18Å; Y29-I44 HydrophobicContact CG-CD1 3.57Å; G41-I44 WeakPolarHBondContact O-CB 3.39Å; G41-I44 PolarHBondContact O-N 3.16Å; I44-Y74 WeakPolarHBondContact CA-O 3.25Å; I44-Y76 HydrophobicContact CB-CD2 4.07Å; I44-Y76 HydrophobicContact CB-CE2 3.83Å; I44-Y76 HydrophobicContact CD1-CE2 4.26Å; I44-Y76 HydrophobicContact CG2-CD1 4.19Å; I44-Y76 HydrophobicContact CG2-CD2 3.39Å; I44-Y76 HydrophobicContact CG2-CE1 4.35Å; I44-Y76 HydrophobicContact CG2-CE2 3.53Å; I44-Y76 HydrophobicContact CG2-CG 3.77Å; I44-L168 HydrophobicContact CD1-CD1 3.93Å
45	H	97.3	Very high	94.6	Very high	40 Å²	40	47.7 Å²	47.7	19%	0.185	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	154	-174.6	-53.4	-75	0	0	0	111.4	F43 F61 A62 Y74 F75 Y76	F43-H45 PolarHBondContact O-NE2 3.35Å; H45-F61 HydrophobicContact CB-CD1 3.51Å; H45-F61 HydrophobicContact CB-CE1 3.72Å; H45-F61 HydrophobicContact CB-CG 4.11Å; H45-F61 HydrophobicContact CB-CZ 4.48Å; H45-F61 AromaticContact CD2-CD1 3.95Å; H45-F61 AromaticContact CG-CD1 3.37Å; H45-F61 AromaticContact CG-CG 3.93Å; H45-F61 AromaticContact ND1-CD1 3.6Å; H45-A62 PolarHBondContact NE2-O 3.01Å; H45-Y74 PolarHBondContact N-O 3.47Å; H45-F75 HydrophobicContact CB-CD1 3.85Å; H45-F75 HydrophobicContact CB-CE1 3.93Å; H45-F75 CarbonylContact O-C 3.46Å; H45-F75 WeakPolarHBondContact O-CA 3.27Å; H45-Y76 PolarHBondContact O-N 2.97Å
46	D	97	Very high	94.5	Very high	89 Å²	89	47.9 Å²	47.9	48%	0.476	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	118.7	170.6	-78.3	-42.3	0	0	0	110.6	K39 Y76	K39-D46 VanDerWaalsContact CD-OD1 3.3Å; K39-D46 WeakPolarHBondContact CD-OD1 3.49Å; K39-D46 WeakPolarHBondContact CD-OD2 3.43Å; K39-D46 VanDerWaalsContact CE-OD1 3.27Å; K39-D46 WeakPolarHBondContact CE-OD1 3.29Å; K39-D46 IonicContact NZ-OD1 2.7Å; K39-D46 PolarHBondContact NZ-OD1 3.07Å; K39-D46 IonicContact NZ-OD2 2.61Å; K39-D46 PolarHBondContact NZ-OD2 2.83Å; D46-Y76 WeakPolarHBondContact OD1-CB 3.47Å
47	A	95.9	Very high	94.5	Very high	17 Å²	17	42.7 Å²	42.7	14%	0.14	28%	0.275	C	S	.	.			trans	-158.3	149.5	175.8	0	0	0	0	0	113.6	V49 L57 F61 F75 Y76 S77	A47-V49 PolarHBondContact O-N 2.89Å; A47-L57 HydrophobicContact CB-CD1 3.78Å; A47-F61 HydrophobicContact CB-CE2 4.16Å; A47-F61 HydrophobicContact CB-CZ 4.28Å; A47-F75 HydrophobicContact CB-CD1 3.55Å; A47-F75 HydrophobicContact CB-CE1 3.99Å; A47-F75 HydrophobicContact CB-CG 4.35Å; A47-Y76 PolarHBondContact N-O 2.86Å; A47-Y76 VanDerWaalsContact N-O 3.16Å; A47-S77 VanDerWaalsContact O-CB 3.3Å; A47-S77 WeakPolarHBondContact O-CB 3.43Å; A47-S77 PolarHBondContact O-OG 2.93Å
48	D	94.1	Very high	94.4	Very high	80 Å²	80	40.9 Å²	40.9	43%	0.428	25%	0.254	S	S	.	.			trans	-80.3	89.7	164.2	-179	7	0	0	0	109.6	Y50 G51 S52	D48-Y50 PolarHBondContact O-N 2.97Å; D48-Y50 PolarHBondContact OD1-N 2.86Å; D48-G51 PolarHBondContact OD1-N 2.96Å; D48-G51 PolarHBondContact OD2-N 3.11Å; D48-S52 WeakPolarHBondContact O-CB 3.47Å; D48-S52 PolarHBondContact O-N 3.16Å; D48-S52 PolarHBondContact O-OG 2.82Å
49	V	95.8	Very high	94.2	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-23.8	178.9	-164.3	0	0	0	0	111.3	A47 L57 F75 S77 W98 M142 C169 V171	A47-V49 PolarHBondContact O-N 2.89Å; V49-L57 HydrophobicContact CB-CD2 4.22Å; V49-L57 HydrophobicContact CG1-CD2 3.86Å; V49-L57 HydrophobicContact CG2-CD2 4.17Å; V49-F75 HydrophobicContact CG2-CB 3.47Å; V49-F75 VanDerWaalsContact CG2-CB 3.47Å; V49-F75 HydrophobicContact CG2-CD1 4.41Å; V49-F75 HydrophobicContact CG2-CD2 3.78Å; V49-F75 HydrophobicContact CG2-CG 3.62Å; V49-S77 PolarHBondContact N-OG 3.44Å; V49-W98 PolarHBondContact O-NE1 2.87Å; V49-M142 HydrophobicContact CB-CE 4.1Å; V49-M142 HydrophobicContact CG1-CE 3.31Å; V49-M142 HydrophobicContact CG1-SD 4.26Å; V49-C169 HydrophobicContact CG2-CB 4.18Å; V49-V171 HydrophobicContact CG1-CG2 3.82Å
50	Y	93.6	Very high	94.1	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.012	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-27.3	-176.5	-59.4	-75.4	0	0	0	112.9	D48 L79 K90 R91 S92 T93 M142 E144 V167 C169	D48-Y50 PolarHBondContact O-N 2.97Å; D48-Y50 PolarHBondContact OD1-N 2.86Å; Y50-L79 HydrophobicContact CD1-CD1 3.93Å; Y50-L79 HydrophobicContact CD2-CB 4.5Å; Y50-L79 HydrophobicContact CD2-CD1 3.99Å; Y50-L79 HydrophobicContact CE1-CD1 3.74Å; Y50-L79 HydrophobicContact CE2-CB 3.89Å; Y50-L79 HydrophobicContact CE2-CD1 3.82Å; Y50-L79 HydrophobicContact CE2-CG 4.33Å; Y50-L79 HydrophobicContact CG-CD1 4.03Å; Y50-K90 WeakPolarHBondContact CB-O 3.37Å; Y50-R91 HydrophobicContact CD1-CB 4.43Å; Y50-R91 HydrophobicContact CD1-CG 3.84Å; Y50-R91 HydrophobicContact CE1-CG 4.11Å; Y50-S92 CarbonylContact O-C 3.38Å; Y50-T93 WeakPolarHBondContact O-CG2 3.39Å; Y50-M142 HydrophobicContact CE1-CE 4.43Å; Y50-M142 HydrophobicContact CE1-SD 4Å; Y50-E144 WeakPolarHBondContact CE1-OE2 2.9Å; Y50-E144 VanDerWaalsContact OH-CG 3.3Å; Y50-E144 WeakPolarHBondContact OH-CG 3.28Å; Y50-E144 PolarHBondContact OH-OE2 2.97Å; Y50-V167 HydrophobicContact CE2-CG2 3.83Å; Y50-V167 WeakPolarHBondContact OH-CG2 3.35Å; Y50-C169 PolarHBondContact OH-SG 3.33Å
51	G	91.6	Very high	94.1	Very high	31 Å²	31	47.2 Å²	47.2	32%	0.32	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-10.3	175.6	0	0	0	0	0	115.2	D48	D48-G51 PolarHBondContact OD1-N 2.96Å; D48-G51 PolarHBondContact OD2-N 3.11Å
52	S	93	Very high	94	Very high	38 Å²	38	48.7 Å²	48.7	27%	0.266	29%	0.286	S	S	.	.	S	Bend	trans	-111.3	140.8	-170.4	-52.5	0	0	0	0	113	D48 T93	D48-S52 WeakPolarHBondContact O-CB 3.47Å; D48-S52 PolarHBondContact O-N 3.16Å; D48-S52 PolarHBondContact O-OG 2.82Å; S52-T93 WeakPolarHBondContact O-CG2 3.45Å
53	D	93	Very high	94.1	Very high	33 Å²	33	44.8 Å²	44.8	18%	0.176	25%	0.251	C	S	.	.			trans	-62.6	129.7	167	-172.3	-67.7	0	0	0	109.6	A55 D56 L57 S95	D53-A55 VanDerWaalsContact C-N 3.31Å; D53-A55 PolarHBondContact O-N 2.64Å; D53-A55 WeakPolarHBondContact OD1-CB 3.03Å; D53-A55 PolarHBondContact OD1-N 3.44Å; D53-D56 HydrophobicContact CB-CB 4.31Å; D53-D56 PolarHBondContact O-N 3.46Å; D53-L57 VanDerWaalsContact O-CB 3.27Å; D53-L57 WeakPolarHBondContact O-CB 3.31Å; D53-L57 PolarHBondContact O-N 3.1Å; D53-S95 WeakPolarHBondContact OD2-CB 3.28Å; D53-S95 PolarHBondContact OD2-OG 2.82Å
54	P	94.6	Very high	94.1	Very high	1 Å²	1	44 Å²	44	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-60.8	-35.7	-178.6	23.4	-33.3	0	0	0	113.3	D56 L58 W98 F126 W140	P54-D56 VanDerWaalsContact C-N 3.32Å; P54-D56 PolarHBondContact O-N 3.08Å; P54-L58 HydrophobicContact CB-CD1 4.42Å; P54-L58 VanDerWaalsContact O-CB 3.25Å; P54-L58 WeakPolarHBondContact O-CB 3.16Å; P54-L58 WeakPolarHBondContact O-CD1 3.45Å; P54-L58 WeakPolarHBondContact O-CG 3.27Å; P54-L58 PolarHBondContact O-N 2.98Å; P54-W98 HydrophobicContact CB-CH2 3.94Å; P54-W98 HydrophobicContact CB-CZ2 3.9Å; P54-W98 HydrophobicContact CG-CH2 4.08Å; P54-W98 HydrophobicContact CG-CZ2 3.98Å; P54-F126 VanDerWaalsContact CD-CE1 3.43Å; P54-F126 HydrophobicContact CG-CB 4.11Å; P54-F126 HydrophobicContact CG-CD1 3.42Å; P54-F126 VanDerWaalsContact CG-CD1 3.42Å; P54-F126 HydrophobicContact CG-CD2 4.3Å; P54-F126 HydrophobicContact CG-CE1 3.82Å; P54-F126 HydrophobicContact CG-CG 3.69Å; P54-F126 HydrophobicContact CG-CZ 4.42Å; P54-W140 HydrophobicContact CB-CB 4.04Å; P54-W140 HydrophobicContact CB-CD2 3.89Å; P54-W140 HydrophobicContact CB-CE3 4.5Å; P54-W140 HydrophobicContact CB-CG 3.66Å; P54-W140 HydrophobicContact CG-CB 3.87Å; P54-W140 HydrophobicContact CG-CD2 4.29Å; P54-W140 HydrophobicContact CG-CG 3.59Å
55	A	92.5	Very high	94	Very high	32 Å²	32	44.8 Å²	44.8	26%	0.264	25%	0.253	S	S	.	.	H	α-helix	trans	-64.7	-39.4	178.8	0	0	0	0	0	111.7	D53 Q59	D53-A55 VanDerWaalsContact C-N 3.31Å; D53-A55 PolarHBondContact O-N 2.64Å; D53-A55 WeakPolarHBondContact OD1-CB 3.03Å; D53-A55 PolarHBondContact OD1-N 3.44Å; A55-Q59 VanDerWaalsContact O-CG 3.29Å; A55-Q59 WeakPolarHBondContact O-CG 3.44Å; A55-Q59 PolarHBondContact O-NE2 2.74Å
56	D	92.7	Very high	93.7	Very high	96 Å²	96	43 Å²	43	51%	0.513	25%	0.246	S	C	.	.	H	α-helix	trans	-76.9	-41.3	179.8	-64.9	-26.4	0	0	0	111.9	D53 P54 L58 Q60	D53-D56 HydrophobicContact CB-CB 4.31Å; D53-D56 PolarHBondContact O-N 3.46Å; P54-D56 VanDerWaalsContact C-N 3.32Å; P54-D56 PolarHBondContact O-N 3.08Å; D56-L58 PolarHBondContact O-N 3.12Å; D56-Q60 PolarHBondContact O-NE2 2.8Å
57	L	92.9	Very high	93.3	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.026	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-48.9	178.6	-178.4	68.6	0	0	0	110.4	A47 V49 D53 Q59 Q60 F61 F75	A47-L57 HydrophobicContact CB-CD1 3.78Å; V49-L57 HydrophobicContact CB-CD2 4.22Å; V49-L57 HydrophobicContact CG1-CD2 3.86Å; V49-L57 HydrophobicContact CG2-CD2 4.17Å; D53-L57 VanDerWaalsContact O-CB 3.27Å; D53-L57 WeakPolarHBondContact O-CB 3.31Å; D53-L57 PolarHBondContact O-N 3.1Å; L57-Q59 VanDerWaalsContact C-N 3.29Å; L57-Q59 PolarHBondContact O-N 3.42Å; L57-Q60 WeakPolarHBondContact O-CB 3.38Å; L57-Q60 PolarHBondContact O-N 3.03Å; L57-Q60 VanDerWaalsContact O-N 3.12Å; L57-F61 HydrophobicContact CD1-CD2 4.19Å; L57-F61 HydrophobicContact CD1-CE2 3.69Å; L57-F61 HydrophobicContact CG-CD2 4.44Å; L57-F61 HydrophobicContact CG-CE2 4.42Å; L57-F61 VanDerWaalsContact O-CD2 3.24Å; L57-F61 WeakPolarHBondContact O-CD2 3.49Å; L57-F75 HydrophobicContact CD2-CE1 4.42Å; L57-F75 HydrophobicContact CD2-CE2 4.17Å; L57-F75 HydrophobicContact CD2-CZ 4.07Å; L57-F75 HydrophobicContact CG-CE1 4.42Å; L57-F75 HydrophobicContact CG-CZ 4.16Å
58	L	93	Very high	93	Very high	9 Å²	9	48.8 Å²	48.8	5%	0.047	27%	0.27	C	S	.	.	H	α-helix	trans	-76.3	-16.8	-170.3	-59	177.8	0	0	0	113.6	P54 D56 Q60 F61 W73 F75 W140 V171	P54-L58 HydrophobicContact CB-CD1 4.42Å; P54-L58 VanDerWaalsContact O-CB 3.25Å; P54-L58 WeakPolarHBondContact O-CB 3.16Å; P54-L58 WeakPolarHBondContact O-CD1 3.45Å; P54-L58 WeakPolarHBondContact O-CG 3.27Å; P54-L58 PolarHBondContact O-N 2.98Å; D56-L58 PolarHBondContact O-N 3.12Å; L58-Q60 PolarHBondContact O-N 2.85Å; L58-F61 VanDerWaalsContact O-O 3.1Å; L58-W73 HydrophobicContact CB-CD2 4.21Å; L58-W73 HydrophobicContact CB-CZ2 4.16Å; L58-W73 HydrophobicContact CD1-CD2 4.29Å; L58-W73 HydrophobicContact CD1-CE3 4.08Å; L58-W73 HydrophobicContact CD1-CZ3 4.35Å; L58-W73 HydrophobicContact CD2-CB 3.57Å; L58-W73 HydrophobicContact CD2-CD2 3.75Å; L58-W73 HydrophobicContact CD2-CE3 4.25Å; L58-W73 HydrophobicContact CD2-CG 3.47Å; L58-W73 VanDerWaalsContact CD2-CG 3.47Å; L58-W73 HydrophobicContact CG-CD2 4.28Å; L58-W73 HydrophobicContact CG-CG 4.45Å; L58-W73 PolarHBondContact O-NE1 2.74Å; L58-F75 HydrophobicContact CD2-CE2 3.52Å; L58-F75 HydrophobicContact CD2-CZ 3.58Å; L58-W140 HydrophobicContact CD1-CD2 4.22Å; L58-W140 HydrophobicContact CD1-CE3 3.51Å; L58-W140 HydrophobicContact CD1-CH2 3.34Å; L58-W140 HydrophobicContact CD1-CZ2 4.05Å; L58-W140 HydrophobicContact CD1-CZ3 3.03Å; L58-W140 HydrophobicContact CG-CZ3 4.48Å; L58-V171 HydrophobicContact CD1-CB 4.46Å; L58-V171 HydrophobicContact CD1-CG1 3.8Å; L58-V171 HydrophobicContact CD2-CB 4.21Å; L58-V171 HydrophobicContact CD2-CG1 4.31Å
59	Q	92	Very high	92.9	Very high	156 Å²	156	47 Å²	47	73%	0.729	27%	0.271	S	S	*	.	H	α-helix	trans	-67.7	-26.2	169.6	-77.4	174.5	52.7	0	0	112.7	A55 L57	A55-Q59 VanDerWaalsContact O-CG 3.29Å; A55-Q59 WeakPolarHBondContact O-CG 3.44Å; A55-Q59 PolarHBondContact O-NE2 2.74Å; L57-Q59 VanDerWaalsContact C-N 3.29Å; L57-Q59 PolarHBondContact O-N 3.42Å
60	Q	92.9	Very high	92.7	Very high	140 Å²	140	52 Å²	52	65%	0.654	29%	0.294	S	S	*	.	H	α-helix	trans	-83.2	-23	-176.3	-62.5	169.8	63.4	0	0	112.5	D56 L57 L58	D56-Q60 PolarHBondContact O-NE2 2.8Å; L57-Q60 WeakPolarHBondContact O-CB 3.38Å; L57-Q60 PolarHBondContact O-N 3.03Å; L57-Q60 VanDerWaalsContact O-N 3.12Å; L58-Q60 PolarHBondContact O-N 2.85Å
61	F	94.9	Very high	92.7	Very high	52 Å²	52	59 Å²	59	23%	0.228	32%	0.321	C	S	.	.	S	Bend	trans	-117.5	145.7	-171.8	-61.7	-75	0	0	0	112.5	H45 A47 L57 L58 W73 F75	H45-F61 HydrophobicContact CB-CD1 3.51Å; H45-F61 HydrophobicContact CB-CE1 3.72Å; H45-F61 HydrophobicContact CB-CG 4.11Å; H45-F61 HydrophobicContact CB-CZ 4.48Å; H45-F61 AromaticContact CD2-CD1 3.95Å; H45-F61 AromaticContact CG-CD1 3.37Å; H45-F61 AromaticContact CG-CG 3.93Å; H45-F61 AromaticContact ND1-CD1 3.6Å; A47-F61 HydrophobicContact CB-CE2 4.16Å; A47-F61 HydrophobicContact CB-CZ 4.28Å; L57-F61 HydrophobicContact CD1-CD2 4.19Å; L57-F61 HydrophobicContact CD1-CE2 3.69Å; L57-F61 HydrophobicContact CG-CD2 4.44Å; L57-F61 HydrophobicContact CG-CE2 4.42Å; L57-F61 VanDerWaalsContact O-CD2 3.24Å; L57-F61 WeakPolarHBondContact O-CD2 3.49Å; L58-F61 VanDerWaalsContact O-O 3.1Å; F61-W73 PolarHBondContact O-NE1 3.15Å; F61-F75 HydrophobicContact CB-CE1 4.21Å; F61-F75 HydrophobicContact CB-CZ 4.33Å; F61-F75 HydrophobicContact CD1-CE1 4.49Å; F61-F75 AromaticContact CD2-CE1 3.48Å; F61-F75 HydrophobicContact CD2-CE1 3.48Å; F61-F75 VanDerWaalsContact CD2-CE1 3.48Å; F61-F75 AromaticContact CD2-CZ 3.97Å; F61-F75 HydrophobicContact CD2-CZ 3.97Å; F61-F75 AromaticContact CE2-CE1 3.92Å; F61-F75 HydrophobicContact CE2-CE1 3.92Å; F61-F75 AromaticContact CG-CE1 3.81Å; F61-F75 HydrophobicContact CG-CE1 3.81Å; F61-F75 HydrophobicContact CG-CZ 4.33Å
62	A	92.9	Very high	93	Very high	53 Å²	53	57.6 Å²	57.6	44%	0.438	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-75.7	131	176.4	0	0	0	0	0	110.5	H45	H45-A62 PolarHBondContact NE2-O 3.01Å
63	P	95.1	Very high	93.2	Very high	30 Å²	30	57.1 Å²	57.1	20%	0.195	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-72.2	152.5	173.1	26.8	-31.5	0	0	0	111.4	V65 R71 A72 W73	P63-V65 HydrophobicContact CG-CG2 4.35Å; P63-R71 HydrophobicContact CB-CB 4.16Å; P63-A72 WeakPolarHBondContact CA-O 2.98Å; P63-W73 HydrophobicContact CB-CD2 3.84Å; P63-W73 HydrophobicContact CB-CE3 4.29Å; P63-W73 HydrophobicContact CB-CG 4.35Å; P63-W73 HydrophobicContact CB-CH2 4.15Å; P63-W73 HydrophobicContact CB-CZ2 3.71Å; P63-W73 HydrophobicContact CB-CZ3 4.42Å; P63-W73 HydrophobicContact CG-CZ2 3.91Å
64	V	94.3	Very high	93.4	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.018	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	129.1	152.9	172	0	0	0	0	108.4	F16 F43 R71 A72 Y74	F16-V64 HydrophobicContact CB-CG1 3.89Å; F16-V64 HydrophobicContact CD1-CG1 4.15Å; F16-V64 HydrophobicContact CD2-CB 4.28Å; F16-V64 HydrophobicContact CD2-CG1 3.37Å; F16-V64 HydrophobicContact CD2-CG2 4.19Å; F16-V64 HydrophobicContact CE2-CB 4.37Å; F16-V64 HydrophobicContact CE2-CG1 3.85Å; F16-V64 HydrophobicContact CE2-CG2 3.78Å; F16-V64 HydrophobicContact CG-CG1 3.53Å; F16-V64 HydrophobicContact CZ-CG1 4.43Å; F16-V64 HydrophobicContact CZ-CG2 4.15Å; F43-V64 HydrophobicContact CB-CG2 3.67Å; F43-V64 HydrophobicContact CD2-CG2 3.52Å; F43-V64 HydrophobicContact CE2-CG2 4.44Å; F43-V64 HydrophobicContact CG-CG2 3.87Å; V64-R71 WeakPolarHBondContact O-CA 3.36Å; V64-A72 PolarHBondContact N-O 3.34Å; V64-A72 PolarHBondContact O-N 3.13Å; V64-Y74 HydrophobicContact CB-CD2 4.15Å; V64-Y74 HydrophobicContact CB-CE2 3.89Å; V64-Y74 HydrophobicContact CG1-CE2 4.35Å; V64-Y74 HydrophobicContact CG2-CD2 3.73Å; V64-Y74 HydrophobicContact CG2-CE2 3.9Å
65	V	94.2	Very high	93.6	Very high	32 Å²	32	55.5 Å²	55.5	19%	0.194	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	115.6	175.1	-172	0	0	0	0	107.5	F16 P63 R71	F16-V65 PolarHBondContact N-O 3.05Å; P63-V65 HydrophobicContact CG-CG2 4.35Å; V65-R71 HydrophobicContact CG2-CG 4.27Å
66	A	91.9	Very high	93.9	Very high	3 Å²	3	54.2 Å²	54.2	3%	0.025	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	166.7	174.8	0	0	0	0	0	111.3	F16 H19 N68 G69 E70	F16-A66 CarbonylContact O-C 3.59Å; F16-A66 WeakPolarHBondContact O-CA 3.39Å; H19-A66 WeakPolarHBondContact NE2-CB 3.39Å; A66-N68 WeakPolarHBondContact CB-OD1 3.35Å; A66-N68 PolarHBondContact O-N 3.05Å; A66-N68 VanDerWaalsContact O-N 3.16Å; A66-G69 WeakPolarHBondContact O-CA 3.37Å; A66-G69 PolarHBondContact O-N 3.42Å; A66-E70 PolarHBondContact N-O 2.84Å
67	H	89.1	Confident	94	Very high	124 Å²	124	49.8 Å²	49.8	57%	0.574	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-33	-179.3	178.3	-90.4	0	0	0	114	F15 F16 Q17 G69	F15-H67 HydrophobicContact CE1-CB 4.03Å; F15-H67 AromaticContact CE1-CD2 3.93Å; F15-H67 HydrophobicContact CZ-CB 4.26Å; F16-H67 PolarHBondContact O-N 3.09Å; F16-H67 VanDerWaalsContact O-N 3.09Å; Q17-H67 VanDerWaalsContact O-CB 3.32Å; Q17-H67 WeakPolarHBondContact O-CB 3.35Å; H67-G69 PolarHBondContact O-N 3.46Å
68	N	89.3	Confident	94.1	Very high	102 Å²	102	52.1 Å²	52.1	55%	0.545	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	1.4	175.9	64.6	0.9	0	0	0	114.1	A66 E70	A66-N68 WeakPolarHBondContact CB-OD1 3.35Å; A66-N68 PolarHBondContact O-N 3.05Å; A66-N68 VanDerWaalsContact O-N 3.16Å; N68-E70 VanDerWaalsContact C-N 3.29Å; N68-E70 WeakPolarHBondContact ND2-CG 3.32Å; N68-E70 PolarHBondContact ND2-OE2 3.3Å; N68-E70 PolarHBondContact O-N 3.4Å; N68-E70 VanDerWaalsContact OD1-CB 3.23Å; N68-E70 WeakPolarHBondContact OD1-CB 3.47Å; N68-E70 WeakPolarHBondContact OD1-CG 3.38Å; N68-E70 PolarHBondContact OD1-N 3.21Å
69	G	91	Very high	94	Very high	44 Å²	44	51.8 Å²	51.8	45%	0.454	27%	0.265	S	S	.	.			trans	83.1	-3.3	-177.8	0	0	0	0	0	114.7	A66 H67 R71	A66-G69 WeakPolarHBondContact O-CA 3.37Å; A66-G69 PolarHBondContact O-N 3.42Å; H67-G69 PolarHBondContact O-N 3.46Å; G69-R71 PolarHBondContact O-N 2.85Å
70	E	92.3	Very high	93.7	Very high	104 Å²	104	48.7 Å²	48.7	49%	0.486	25%	0.246	S	C	.	.			trans	-65.1	130.6	177.3	-70.4	179.3	155.6	0	0	111	H19 A66 N68	H19-E70 PolarHBondContact NE2-O 2.86Å; A66-E70 PolarHBondContact N-O 2.84Å; N68-E70 VanDerWaalsContact C-N 3.29Å; N68-E70 WeakPolarHBondContact ND2-CG 3.32Å; N68-E70 PolarHBondContact ND2-OE2 3.3Å; N68-E70 PolarHBondContact O-N 3.4Å; N68-E70 VanDerWaalsContact OD1-CB 3.23Å; N68-E70 WeakPolarHBondContact OD1-CB 3.47Å; N68-E70 WeakPolarHBondContact OD1-CG 3.38Å; N68-E70 PolarHBondContact OD1-N 3.21Å
71	R	94.2	Very high	93.1	Very high	152 Å²	152	44.4 Å²	44.4	57%	0.574	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	131	-179.7	-57.2	-171.1	179.4	-159.3	1.5	110.4	P63 V64 V65 G69 W73 Y172	P63-R71 HydrophobicContact CB-CB 4.16Å; V64-R71 WeakPolarHBondContact O-CA 3.36Å; V65-R71 HydrophobicContact CG2-CG 4.27Å; G69-R71 PolarHBondContact O-N 2.85Å; R71-W73 HydrophobicContact CB-CH2 4.22Å; R71-W73 HydrophobicContact CB-CZ3 4.07Å; R71-Y172 WeakPolarHBondContact O-CB 3.43Å
72	A	96.5	Very high	92.1	Very high	1 Å²	1	48 Å²	48	1%	0.008	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	152.6	169.3	0	0	0	0	0	110.2	H19 P63 V64 Y74 K170 V171	H19-A72 VanDerWaalsContact CE1-CB 3.43Å; H19-A72 WeakPolarHBondContact CE1-CB 3.46Å; P63-A72 WeakPolarHBondContact CA-O 2.98Å; V64-A72 PolarHBondContact N-O 3.34Å; V64-A72 PolarHBondContact O-N 3.13Å; A72-Y74 HydrophobicContact CB-CE2 3.89Å; A72-K170 HydrophobicContact CB-CD 4.41Å; A72-K170 HydrophobicContact CB-CG 4.02Å; A72-V171 WeakPolarHBondContact CA-O 3.44Å
73	W	97.4	Very high	91.1	Very high	28 Å²	28	50.9 Å²	50.9	11%	0.106	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	144.9	173.5	-66.2	-111.1	0	0	0	108.7	L58 F61 P63 R71 F75 W140 K170 V171	L58-W73 HydrophobicContact CB-CD2 4.21Å; L58-W73 HydrophobicContact CB-CZ2 4.16Å; L58-W73 HydrophobicContact CD1-CD2 4.29Å; L58-W73 HydrophobicContact CD1-CE3 4.08Å; L58-W73 HydrophobicContact CD1-CZ3 4.35Å; L58-W73 HydrophobicContact CD2-CB 3.57Å; L58-W73 HydrophobicContact CD2-CD2 3.75Å; L58-W73 HydrophobicContact CD2-CE3 4.25Å; L58-W73 HydrophobicContact CD2-CG 3.47Å; L58-W73 VanDerWaalsContact CD2-CG 3.47Å; L58-W73 HydrophobicContact CG-CD2 4.28Å; L58-W73 HydrophobicContact CG-CG 4.45Å; L58-W73 PolarHBondContact O-NE1 2.74Å; F61-W73 PolarHBondContact O-NE1 3.15Å; P63-W73 HydrophobicContact CB-CD2 3.84Å; P63-W73 HydrophobicContact CB-CE3 4.29Å; P63-W73 HydrophobicContact CB-CG 4.35Å; P63-W73 HydrophobicContact CB-CH2 4.15Å; P63-W73 HydrophobicContact CB-CZ2 3.71Å; P63-W73 HydrophobicContact CB-CZ3 4.42Å; P63-W73 HydrophobicContact CG-CZ2 3.91Å; R71-W73 HydrophobicContact CB-CH2 4.22Å; R71-W73 HydrophobicContact CB-CZ3 4.07Å; W73-F75 HydrophobicContact CB-CD2 4.39Å; W73-F75 HydrophobicContact CB-CE2 3.44Å; W73-F75 VanDerWaalsContact CB-CE2 3.44Å; W73-F75 HydrophobicContact CB-CZ 3.72Å; W73-F75 HydrophobicContact CG-CE2 4.45Å; W73-F75 HydrophobicContact CG-CZ 4.39Å; W73-W140 HydrophobicContact CZ3-CZ3 4.3Å; W73-K170 CarbonylContact O-C 3.57Å; W73-K170 WeakPolarHBondContact O-CA 3.04Å; W73-V171 PolarHBondContact N-O 3.41Å; W73-V171 PolarHBondContact O-N 3.33Å
74	Y	98.1	Very high	89.9	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.6	-175.9	-68.1	-90.9	0	0	0	108.8	H19 L25 F43 I44 H45 V64 A72 L168 C169 K170	H19-Y74 WeakPolarHBondContact CB-OH 3.44Å; H19-Y74 AromaticContact ND1-CE2 3.69Å; H19-Y74 AromaticContact ND1-CZ 3.78Å; H19-Y74 PolarHBondContact ND1-OH 3.04Å; L25-Y74 HydrophobicContact CD1-CE1 4Å; L25-Y74 HydrophobicContact CD2-CD1 3.89Å; L25-Y74 HydrophobicContact CD2-CE1 3.72Å; L25-Y74 HydrophobicContact CG-CE1 4.49Å; F43-Y74 AromaticContact CD2-CD2 3.79Å; F43-Y74 HydrophobicContact CD2-CD2 3.79Å; F43-Y74 AromaticContact CD2-CG 3.97Å; F43-Y74 HydrophobicContact CD2-CG 3.97Å; F43-Y74 HydrophobicContact CE2-CD1 4.27Å; F43-Y74 AromaticContact CE2-CD2 3.91Å; F43-Y74 HydrophobicContact CE2-CD2 3.91Å; F43-Y74 HydrophobicContact CE2-CE2 4.42Å; F43-Y74 AromaticContact CE2-CG 3.83Å; F43-Y74 HydrophobicContact CE2-CG 3.83Å; I44-Y74 WeakPolarHBondContact CA-O 3.25Å; H45-Y74 PolarHBondContact N-O 3.47Å; V64-Y74 HydrophobicContact CB-CD2 4.15Å; V64-Y74 HydrophobicContact CB-CE2 3.89Å; V64-Y74 HydrophobicContact CG1-CE2 4.35Å; V64-Y74 HydrophobicContact CG2-CD2 3.73Å; V64-Y74 HydrophobicContact CG2-CE2 3.9Å; A72-Y74 HydrophobicContact CB-CE2 3.89Å; Y74-L168 HydrophobicContact CD1-CD2 4.12Å; Y74-C169 CarbonylContact C-O 3.51Å; Y74-C169 WeakPolarHBondContact CA-O 2.9Å; Y74-K170 HydrophobicContact CD1-CB 4.13Å; Y74-K170 HydrophobicContact CD1-CG 4.36Å; Y74-K170 HydrophobicContact CE1-CB 3.85Å; Y74-K170 HydrophobicContact CE1-CD 4Å; Y74-K170 HydrophobicContact CE1-CG 3.76Å; Y74-K170 WeakPolarHBondContact OH-CE 3.39Å
75	F	98.4	Very high	88.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	136.2	-176.7	-59.7	-79.4	0	0	0	112.1	H45 A47 V49 L57 L58 F61 W73 L168 C169 V171	H45-F75 HydrophobicContact CB-CD1 3.85Å; H45-F75 HydrophobicContact CB-CE1 3.93Å; H45-F75 CarbonylContact O-C 3.46Å; H45-F75 WeakPolarHBondContact O-CA 3.27Å; A47-F75 HydrophobicContact CB-CD1 3.55Å; A47-F75 HydrophobicContact CB-CE1 3.99Å; A47-F75 HydrophobicContact CB-CG 4.35Å; V49-F75 HydrophobicContact CG2-CB 3.47Å; V49-F75 VanDerWaalsContact CG2-CB 3.47Å; V49-F75 HydrophobicContact CG2-CD1 4.41Å; V49-F75 HydrophobicContact CG2-CD2 3.78Å; V49-F75 HydrophobicContact CG2-CG 3.62Å; L57-F75 HydrophobicContact CD2-CE1 4.42Å; L57-F75 HydrophobicContact CD2-CE2 4.17Å; L57-F75 HydrophobicContact CD2-CZ 4.07Å; L57-F75 HydrophobicContact CG-CE1 4.42Å; L57-F75 HydrophobicContact CG-CZ 4.16Å; L58-F75 HydrophobicContact CD2-CE2 3.52Å; L58-F75 HydrophobicContact CD2-CZ 3.58Å; F61-F75 HydrophobicContact CB-CE1 4.21Å; F61-F75 HydrophobicContact CB-CZ 4.33Å; F61-F75 HydrophobicContact CD1-CE1 4.49Å; F61-F75 AromaticContact CD2-CE1 3.48Å; F61-F75 HydrophobicContact CD2-CE1 3.48Å; F61-F75 VanDerWaalsContact CD2-CE1 3.48Å; F61-F75 AromaticContact CD2-CZ 3.97Å; F61-F75 HydrophobicContact CD2-CZ 3.97Å; F61-F75 AromaticContact CE2-CE1 3.92Å; F61-F75 HydrophobicContact CE2-CE1 3.92Å; F61-F75 AromaticContact CG-CE1 3.81Å; F61-F75 HydrophobicContact CG-CE1 3.81Å; F61-F75 HydrophobicContact CG-CZ 4.33Å; W73-F75 HydrophobicContact CB-CD2 4.39Å; W73-F75 HydrophobicContact CB-CE2 3.44Å; W73-F75 VanDerWaalsContact CB-CE2 3.44Å; W73-F75 HydrophobicContact CB-CZ 3.72Å; W73-F75 HydrophobicContact CG-CE2 4.45Å; W73-F75 HydrophobicContact CG-CZ 4.39Å; F75-L168 CarbonylContact O-C 3.48Å; F75-L168 WeakPolarHBondContact O-CA 2.93Å; F75-C169 HydrophobicContact CB-CB 4.4Å; F75-C169 PolarHBondContact N-O 3.47Å; F75-C169 PolarHBondContact O-N 3.47Å; F75-V171 HydrophobicContact CD2-CG2 3.97Å; F75-V171 HydrophobicContact CE2-CB 4.38Å; F75-V171 HydrophobicContact CE2-CG2 4.02Å
76	Y	98.1	Very high	87.5	Confident	5 Å²	5	58.1 Å²	58.1	2%	0.02	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	124.7	155.4	-70.8	-58	0	0	0	108	Y29 W33 K39 T40 I44 H45 D46 A47 L168	Y29-Y76 PolarHBondContact O-OH 2.83Å; W33-Y76 HydrophobicContact CB-CE1 4Å; W33-Y76 AromaticContact CD2-CD1 3.8Å; W33-Y76 HydrophobicContact CD2-CD1 3.8Å; W33-Y76 HydrophobicContact CD2-CE1 4.16Å; W33-Y76 HydrophobicContact CD2-CG 4.25Å; W33-Y76 AromaticContact CE3-CD1 3.13Å; W33-Y76 HydrophobicContact CE3-CD1 3.13Å; W33-Y76 AromaticContact CE3-CE1 3.7Å; W33-Y76 HydrophobicContact CE3-CE1 3.7Å; W33-Y76 AromaticContact CE3-CG 3.83Å; W33-Y76 HydrophobicContact CE3-CG 3.83Å; W33-Y76 HydrophobicContact CG-CD1 4.41Å; W33-Y76 HydrophobicContact CG-CE1 4.32Å; W33-Y76 HydrophobicContact CH2-CD1 4.49Å; W33-Y76 AromaticContact CZ3-CD1 3.54Å; W33-Y76 HydrophobicContact CZ3-CD1 3.54Å; W33-Y76 HydrophobicContact CZ3-CE1 4.5Å; W33-Y76 AromaticContact CZ3-CG 3.99Å; W33-Y76 HydrophobicContact CZ3-CG 3.99Å; K39-Y76 HydrophobicContact CB-CD2 4.02Å; K39-Y76 HydrophobicContact CB-CE2 3.62Å; K39-Y76 HydrophobicContact CD-CD2 3.82Å; K39-Y76 HydrophobicContact CD-CE2 4.31Å; K39-Y76 HydrophobicContact CD-CG 4.32Å; K39-Y76 HydrophobicContact CG-CD2 3.85Å; K39-Y76 HydrophobicContact CG-CE2 3.87Å; K39-Y76 HydrophobicContact CG-CG 4.39Å; T40-Y76 PolarHBondContact N-OH 2.85Å; T40-Y76 WeakPolarHBondContact O-CE2 3.38Å; T40-Y76 PolarHBondContact O-OH 3.42Å; I44-Y76 HydrophobicContact CB-CD2 4.07Å; I44-Y76 HydrophobicContact CB-CE2 3.83Å; I44-Y76 HydrophobicContact CD1-CE2 4.26Å; I44-Y76 HydrophobicContact CG2-CD1 4.19Å; I44-Y76 HydrophobicContact CG2-CD2 3.39Å; I44-Y76 HydrophobicContact CG2-CE1 4.35Å; I44-Y76 HydrophobicContact CG2-CE2 3.53Å; I44-Y76 HydrophobicContact CG2-CG 3.77Å; H45-Y76 PolarHBondContact O-N 2.97Å; D46-Y76 WeakPolarHBondContact OD1-CB 3.47Å; A47-Y76 PolarHBondContact N-O 2.86Å; A47-Y76 VanDerWaalsContact N-O 3.16Å; Y76-L168 HydrophobicContact CE1-CD1 4.17Å
77	S	96.5	Very high	86.6	Confident	3 Å²	3	66.8 Å²	66.8	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	155.1	-178.1	-149	0	0	0	0	111.2	W33 A47 V49 V167	W33-S77 WeakPolarHBondContact CH2-O 3.24Å; A47-S77 VanDerWaalsContact O-CB 3.3Å; A47-S77 WeakPolarHBondContact O-CB 3.43Å; A47-S77 PolarHBondContact O-OG 2.93Å; V49-S77 PolarHBondContact N-OG 3.44Å; S77-V167 PolarHBondContact N-O 2.59Å; S77-V167 WeakPolarHBondContact O-CG2 3.18Å; S77-V167 PolarHBondContact O-N 2.83Å
78	L	94.1	Very high	86	Confident	54 Å²	54	67.4 Å²	67.4	28%	0.283	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.7	172.1	-64	179.2	0	0	0	108.3	W33 R166	W33-L78 HydrophobicContact CH2-CD2 4Å; W33-L78 HydrophobicContact CZ2-CD2 4.11Å; L78-R166 HydrophobicContact CD2-CG 3.72Å
79	L	91.3	Very high	85.7	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	117.3	175.7	-178.6	56.8	0	0	0	109.1	Y50 K89 R91 E144 Y165 V167	Y50-L79 HydrophobicContact CD1-CD1 3.93Å; Y50-L79 HydrophobicContact CD2-CB 4.5Å; Y50-L79 HydrophobicContact CD2-CD1 3.99Å; Y50-L79 HydrophobicContact CE1-CD1 3.74Å; Y50-L79 HydrophobicContact CE2-CB 3.89Å; Y50-L79 HydrophobicContact CE2-CD1 3.82Å; Y50-L79 HydrophobicContact CE2-CG 4.33Å; Y50-L79 HydrophobicContact CG-CD1 4.03Å; L79-K89 HydrophobicContact CD1-CB 3.74Å; L79-K89 HydrophobicContact CD1-CD 4.46Å; L79-K89 HydrophobicContact CD2-CB 4.2Å; L79-K89 HydrophobicContact CD2-CD 3.36Å; L79-K89 HydrophobicContact CD2-CG 4.32Å; L79-K89 HydrophobicContact CG-CB 3.96Å; L79-K89 HydrophobicContact CG-CD 3.79Å; L79-K89 HydrophobicContact CG-CG 4.31Å; L79-R91 HydrophobicContact CD1-CG 4.49Å; L79-E144 WeakPolarHBondContact CD2-OE1 3.35Å; L79-E144 WeakPolarHBondContact CD2-OE2 3.31Å; L79-Y165 PolarHBondContact N-O 3.13Å; L79-Y165 PolarHBondContact O-N 3.15Å; L79-V167 HydrophobicContact CB-CG1 4.12Å; L79-V167 HydrophobicContact CB-CG2 4.08Å; L79-V167 HydrophobicContact CD2-CG1 4.28Å
80	R	85.2	Confident	85.3	Confident	92 Å²	92	66.8 Å²	66.8	35%	0.347	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	151.1	-178	-57.2	-172.3	178.4	-105.8	-4.8	110.9	K90 E159 V164	R80-K90 PolarHBondContact O-N 3.26Å; R80-E159 IonicContact NH2-OE2 3.83Å; R80-V164 HydrophobicContact CG-CG1 4.13Å
81	Y	80.3	Confident	85.1	Confident	49 Å²	49	63.8 Å²	63.8	19%	0.192	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-67.2	149.1	166.7	-70	-66.2	0	0	0	111.4	H83 G86 K87 K89 L163 Y165	Y81-H83 WeakPolarHBondContact CB-O 3.49Å; Y81-H83 PolarHBondContact O-N 2.81Å; Y81-G86 WeakPolarHBondContact CD1-O 3.46Å; Y81-G86 WeakPolarHBondContact CE1-O 3.46Å; Y81-K87 VanDerWaalsContact CE1-O 3.28Å; Y81-K87 WeakPolarHBondContact CE1-O 3.39Å; Y81-K89 HydrophobicContact CD1-CG 4.13Å; Y81-K89 HydrophobicContact CE1-CG 4.02Å; Y81-L163 HydrophobicContact CD2-CB 3.9Å; Y81-L163 HydrophobicContact CE2-CB 3.79Å; Y81-L163 HydrophobicContact CE2-CD1 4.02Å; Y81-Y165 HydrophobicContact CD2-CE2 4.41Å; Y81-Y165 HydrophobicContact CE1-CE2 4.38Å; Y81-Y165 AromaticContact CE2-CE2 3.58Å; Y81-Y165 HydrophobicContact CE2-CE2 3.58Å; Y81-Y165 AromaticContact CZ-CE2 3.59Å; Y81-Y165 PolarHBondContact OH-OH 2.76Å
82	K	73.7	Confident	84.8	Confident	128 Å²	128	59.3 Å²	59.3	56%	0.557	29%	0.291	S	S	*	.	S	Bend	trans	-61.8	-31.1	176.4	-170.9	-177.1	175.3	-178.4	0	111.5	R88	K82-R88 WeakPolarHBondContact CB-O 3.27Å; K82-R88 PolarHBondContact N-O 2.89Å
83	H	72.7	Confident	84.5	Confident	114 Å²	114	60.1 Å²	60.1	53%	0.528	30%	0.296	S	S	.	.	S	Bend	trans	-139.3	153	178.2	-54.4	-64.6	0	0	0	108.7	Y81 S85 G86	Y81-H83 WeakPolarHBondContact CB-O 3.49Å; Y81-H83 PolarHBondContact O-N 2.81Å; H83-S85 PolarHBondContact O-N 2.87Å; H83-S85 VanDerWaalsContact O-N 3.14Å; H83-G86 PolarHBondContact O-N 2.87Å
84	S	69.3	Low	84	Confident	83 Å²	83	63.2 Å²	63.2	58%	0.58	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-30.7	-177.6	50.7	0	0	0	0	114
85	S	68.6	Low	83.7	Confident	113 Å²	113	65.9 Å²	65.9	79%	0.79	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-0.5	177.9	60.1	0	0	0	0	114.3	H83	H83-S85 PolarHBondContact O-N 2.87Å; H83-S85 VanDerWaalsContact O-N 3.14Å
86	G	69	Low	83.5	Confident	21 Å²	21	66.4 Å²	66.4	22%	0.216	36%	0.36	C	S	.	.			trans	-80.6	147.9	-172.8	0	0	0	0	0	112.1	Y81 H83	Y81-G86 WeakPolarHBondContact CD1-O 3.46Å; Y81-G86 WeakPolarHBondContact CE1-O 3.46Å; H83-G86 PolarHBondContact O-N 2.87Å
87	K	74.2	Confident	83.4	Confident	185 Å²	185	68.1 Å²	68.1	80%	0.804	37%	0.372	S	S	*	.	S	Bend	trans	-83	-13.8	168.2	-61.3	-175	-179.7	-175.8	0	113	Y81	Y81-K87 VanDerWaalsContact CE1-O 3.28Å; Y81-K87 WeakPolarHBondContact CE1-O 3.39Å
88	R	77.1	Confident	83.4	Confident	137 Å²	137	68.4 Å²	68.4	52%	0.517	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-86.9	121.2	-174.5	-166.4	168.1	179.9	165.1	0.1	111.2	K82 D211	K82-R88 WeakPolarHBondContact CB-O 3.27Å; K82-R88 PolarHBondContact N-O 2.89Å; R88-D211 IonicContact CZ-OD2 2.76Å; R88-D211 IonicContact NH2-OD2 3.84Å; R88-D211 PolarHBondContact NH2-OD2 3.41Å
89	K	81.3	Confident	83.4	Confident	27 Å²	27	68.1 Å²	68.1	12%	0.117	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-78.9	138.5	178.4	-51.5	-174.6	-175.4	179.1	0	110.5	L79 Y81 R91 E154	L79-K89 HydrophobicContact CD1-CB 3.74Å; L79-K89 HydrophobicContact CD1-CD 4.46Å; L79-K89 HydrophobicContact CD2-CB 4.2Å; L79-K89 HydrophobicContact CD2-CD 3.36Å; L79-K89 HydrophobicContact CD2-CG 4.32Å; L79-K89 HydrophobicContact CG-CB 3.96Å; L79-K89 HydrophobicContact CG-CD 3.79Å; L79-K89 HydrophobicContact CG-CG 4.31Å; Y81-K89 HydrophobicContact CD1-CG 4.13Å; Y81-K89 HydrophobicContact CE1-CG 4.02Å; K89-R91 PolarHBondContact O-N 2.86Å; K89-E154 IonicContact NZ-OE1 2.84Å; K89-E154 IonicContact NZ-OE2 2.78Å; K89-E154 PolarHBondContact NZ-OE2 2.96Å
90	K	82.6	Confident	83.6	Confident	105 Å²	105	70.5 Å²	70.5	46%	0.457	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-70.6	118	-178.8	-177.8	-173.2	175.6	-168.6	0	109.7	Y50 R80	Y50-K90 WeakPolarHBondContact CB-O 3.37Å; R80-K90 PolarHBondContact O-N 3.26Å
91	R	87.8	Confident	84	Confident	41 Å²	41	69.3 Å²	69.3	16%	0.155	38%	0.384	C	S	.	.			trans	-136.9	25.5	-179.7	-63	-161.5	-179.3	96.8	-6.6	113.7	Y50 L79 K89 W98 F124 E144	Y50-R91 HydrophobicContact CD1-CB 4.43Å; Y50-R91 HydrophobicContact CD1-CG 3.84Å; Y50-R91 HydrophobicContact CE1-CG 4.11Å; L79-R91 HydrophobicContact CD1-CG 4.49Å; K89-R91 PolarHBondContact O-N 2.86Å; R91-W98 HydrophobicContact CB-CB 4.16Å; R91-W98 PolarHBondContact O-N 3.49Å; R91-F124 VanDerWaalsContact CZ-CZ 3.46Å; R91-E144 IonicContact CZ-OE2 3.13Å; R91-E144 IonicContact NE-OE2 3.8Å; R91-E144 PolarHBondContact NE-OE2 3.09Å; R91-E144 IonicContact NH2-OE1 3.17Å; R91-E144 PolarHBondContact NH2-OE1 3.36Å; R91-E144 VanDerWaalsContact NH2-OE1 3.15Å; R91-E144 IonicContact NH2-OE2 2.66Å; R91-E144 PolarHBondContact NH2-OE2 3.38Å
92	S	88.4	Confident	84.6	Confident	58 Å²	58	69.2 Å²	69.2	41%	0.406	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-112.9	135.5	178.9	-58.5	0	0	0	0	110.7	Y50 T97	Y50-S92 CarbonylContact O-C 3.38Å; S92-T97 WeakPolarHBondContact CB-OG1 3.29Å; S92-T97 PolarHBondContact OG-OG1 3.05Å
93	T	89.9	Confident	85.6	Confident	18 Å²	18	72 Å²	72	11%	0.11	41%	0.406	C	S	.	.			trans	-104.7	177.3	175	74.5	0	0	0	0	108.9	Y50 S52 S95 G96 F126	Y50-T93 WeakPolarHBondContact O-CG2 3.39Å; S52-T93 WeakPolarHBondContact O-CG2 3.45Å; T93-S95 PolarHBondContact O-N 3.39Å; T93-S95 PolarHBondContact OG1-N 2.94Å; T93-S95 PolarHBondContact OG1-OG 3.21Å; T93-G96 PolarHBondContact N-O 2.77Å; T93-G96 PolarHBondContact OG1-N 2.54Å; T93-G96 VanDerWaalsContact OG1-N 3.09Å; T93-G96 PolarHBondContact OG1-O 3.01Å; T93-F126 HydrophobicContact CG2-CE2 3.77Å; T93-F126 HydrophobicContact CG2-CZ 4.25Å; T93-F126 WeakPolarHBondContact OG1-CE2 3.5Å; T93-F126 VanDerWaalsContact OG1-CZ 3.27Å; T93-F126 WeakPolarHBondContact OG1-CZ 3.3Å
94	G	87.4	Confident	86.7	Confident	93 Å²	93	69.3 Å²	69.3	96%	0.959	40%	0.398	S	S	*	.	S	Bend	trans	-65.1	-26.9	175.6	0	0	0	0	0	114.1
95	S	92.1	Very high	88.1	Confident	56 Å²	56	70.9 Å²	70.9	39%	0.392	40%	0.395	S	S	.	.	S	Bend	trans	-103.2	-19.2	-174.6	53.7	0	0	0	0	113.9	D53 T93 V128	D53-S95 WeakPolarHBondContact OD2-CB 3.28Å; D53-S95 PolarHBondContact OD2-OG 2.82Å; T93-S95 PolarHBondContact O-N 3.39Å; T93-S95 PolarHBondContact OG1-N 2.94Å; T93-S95 PolarHBondContact OG1-OG 3.21Å; S95-V128 WeakPolarHBondContact O-CB 3.49Å; S95-V128 WeakPolarHBondContact O-CG1 3.36Å
96	G	94.8	Very high	89.4	Confident	11 Å²	11	67.8 Å²	67.8	11%	0.113	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	-167.5	-171.6	0	0	0	0	0	114.4	T93 V127	T93-G96 PolarHBondContact N-O 2.77Å; T93-G96 PolarHBondContact OG1-N 2.54Å; T93-G96 VanDerWaalsContact OG1-N 3.09Å; T93-G96 PolarHBondContact OG1-O 3.01Å; G96-V127 CarbonylContact C-O 3.49Å; G96-V127 WeakPolarHBondContact CA-O 3.37Å
97	T	94.5	Very high	90.8	Very high	42 Å²	42	66.9 Å²	66.9	26%	0.258	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	140.6	179.8	-67.6	0	0	0	0	110.4	S92 H99 V127	S92-T97 WeakPolarHBondContact CB-OG1 3.29Å; S92-T97 PolarHBondContact OG-OG1 3.05Å; T97-H99 PolarHBondContact O-N 3.44Å; T97-V127 PolarHBondContact N-O 3.32Å; T97-V127 PolarHBondContact O-N 2.87Å
98	W	96.4	Very high	91.8	Very high	8 Å²	8	61.9 Å²	61.9	3%	0.03	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	111.5	170.4	-63.5	101.7	0	0	0	109.7	V49 P54 R91 F124 S125 F126 W140 M142 V171	V49-W98 PolarHBondContact O-NE1 2.87Å; P54-W98 HydrophobicContact CB-CH2 3.94Å; P54-W98 HydrophobicContact CB-CZ2 3.9Å; P54-W98 HydrophobicContact CG-CH2 4.08Å; P54-W98 HydrophobicContact CG-CZ2 3.98Å; R91-W98 HydrophobicContact CB-CB 4.16Å; R91-W98 PolarHBondContact O-N 3.49Å; W98-F124 HydrophobicContact CB-CB 4.15Å; W98-F124 HydrophobicContact CB-CD1 4.5Å; W98-F124 HydrophobicContact CE3-CB 4.14Å; W98-S125 WeakPolarHBondContact CA-O 3.42Å; W98-F126 HydrophobicContact CD2-CB 4.15Å; W98-F126 AromaticContact CD2-CD2 3.75Å; W98-F126 HydrophobicContact CD2-CD2 3.75Å; W98-F126 HydrophobicContact CD2-CG 4.4Å; W98-F126 AromaticContact CE2-CD2 3.68Å; W98-F126 HydrophobicContact CE3-CB 3.72Å; W98-F126 HydrophobicContact CE3-CD2 4.22Å; W98-F126 HydrophobicContact CE3-CG 4.45Å; W98-F126 HydrophobicContact CG-CD2 4.08Å; W98-F126 HydrophobicContact CH2-CB 3.88Å; W98-F126 HydrophobicContact CH2-CG 4.43Å; W98-F126 HydrophobicContact CZ2-CB 4.28Å; W98-F126 HydrophobicContact CZ2-CD2 4.09Å; W98-F126 HydrophobicContact CZ2-CG 4.38Å; W98-F126 HydrophobicContact CZ3-CB 3.58Å; W98-F126 HydrophobicContact CZ3-CG 4.47Å; W98-F126 AromaticContact NE1-CD2 3.96Å; W98-W140 HydrophobicContact CH2-CB 4.11Å; W98-W140 HydrophobicContact CZ3-CB 4.33Å; W98-M142 HydrophobicContact CD2-CB 4.44Å; W98-M142 HydrophobicContact CD2-CE 3.53Å; W98-M142 HydrophobicContact CE3-CB 3.84Å; W98-M142 HydrophobicContact CE3-CE 4.02Å; W98-M142 HydrophobicContact CG-CE 3.98Å; W98-M142 HydrophobicContact CH2-CB 4Å; W98-M142 HydrophobicContact CH2-CE 4.01Å; W98-M142 HydrophobicContact CZ2-CE 3.52Å; W98-M142 HydrophobicContact CZ3-CB 3.59Å; W98-M142 HydrophobicContact CZ3-CE 4.24Å; W98-V171 HydrophobicContact CH2-CG1 4.16Å
99	H	94.5	Very high	92.6	Very high	49 Å²	49	57.3 Å²	57.3	23%	0.227	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	139.3	175.4	-108.1	71.6	0	0	0	110.6	T97 F124 S125 V127 D211	T97-H99 PolarHBondContact O-N 3.44Å; H99-F124 CarbonylContact O-C 3.4Å; H99-F124 WeakPolarHBondContact O-CA 3.39Å; H99-F124 VanDerWaalsContact O-CB 3.31Å; H99-F124 WeakPolarHBondContact O-CB 3.31Å; H99-S125 PolarHBondContact N-O 3.24Å; H99-S125 PolarHBondContact O-N 3.35Å; H99-V127 HydrophobicContact CB-CG2 4.12Å; H99-D211 IonicContact NE2-OD1 3.44Å
100	S	95.2	Very high	93	Very high	51 Å²	51	58.9 Å²	58.9	36%	0.357	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	140.1	176.6	79.1	0	0	0	0	111.4
101	E	94.7	Very high	93	Very high	66 Å²	66	56.2 Å²	56.2	31%	0.308	34%	0.339	S	S	.	.			trans	-93.4	-31.2	179	-65	-53.1	123.4	0	0	113.4	T123 S125 R137	E101-T123 HydrophobicContact CB-CG2 4.24Å; E101-T123 HydrophobicContact CG-CG2 3.93Å; E101-T123 PolarHBondContact N-O 2.93Å; E101-S125 WeakPolarHBondContact OE1-CB 3.47Å; E101-S125 PolarHBondContact OE1-N 2.79Å; E101-S125 VanDerWaalsContact OE1-N 3.16Å; E101-S125 PolarHBondContact OE1-OG 2.89Å; E101-S125 PolarHBondContact OE2-OG 3.2Å; E101-R137 IonicContact OE1-CZ 3.67Å; E101-R137 IonicContact OE1-NH1 2.97Å; E101-R137 PolarHBondContact OE1-NH1 2.88Å; E101-R137 IonicContact OE1-NH2 3.76Å; E101-R137 IonicContact OE2-CZ 3.34Å; E101-R137 IonicContact OE2-NH1 2.98Å; E101-R137 PolarHBondContact OE2-NH1 2.86Å; E101-R137 IonicContact OE2-NH2 3.27Å
102	A	91.8	Very high	92.5	Very high	47 Å²	47	63.6 Å²	63.6	39%	0.388	37%	0.372	S	S	.	.	S	Bend	trans	-159.3	161.8	-171.3	0	0	0	0	0	110
103	K	95.5	Very high	92.1	Very high	188 Å²	188	65.5 Å²	65.5	82%	0.817	39%	0.385	S	S	*	.			trans	-55	145.1	170.6	-67.5	-172.4	175.9	-173.3	0	110.8	K105	K103-K105 PolarHBondContact O-N 3.2Å
104	P	96.5	Very high	91.9	Very high	56 Å²	56	68.9 Å²	68.9	36%	0.364	40%	0.403	S	S	.	.			trans	-52.4	140	172.1	-23.6	32.7	0	0	0	111.2	L120 R121 Q122	P104-L120 HydrophobicContact CB-CD2 4.42Å; P104-R121 WeakPolarHBondContact CA-O 3.33Å; P104-Q122 HydrophobicContact CG-CG 4.33Å
105	K	97.4	Very high	91.9	Very high	116 Å²	116	72.8 Å²	72.8	50%	0.504	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140.3	176.8	-63.2	-173.7	178.7	-177.8	0	110	K103 L120 R121	K103-K105 PolarHBondContact O-N 3.2Å; K105-L120 CarbonylContact O-C 3.56Å; K105-L120 WeakPolarHBondContact O-CA 3.35Å; K105-R121 HydrophobicContact CB-CG 4.03Å; K105-R121 PolarHBondContact N-O 2.9Å; K105-R121 PolarHBondContact O-N 3.48Å
106	P	97.1	Very high	91.9	Very high	49 Å²	49	73.2 Å²	73.2	32%	0.318	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	147.2	175.9	28.7	-36	0	0	0	111.8	F108 Q117	P106-F108 HydrophobicContact CB-CD2 4.26Å; P106-F108 HydrophobicContact CB-CE1 4.49Å; P106-F108 HydrophobicContact CB-CE2 3.58Å; P106-F108 HydrophobicContact CB-CZ 3.7Å; P106-F108 HydrophobicContact CG-CD2 4.39Å; P106-F108 HydrophobicContact CG-CE2 3.44Å; P106-F108 VanDerWaalsContact CG-CE2 3.44Å; P106-F108 HydrophobicContact CG-CZ 3.77Å; P106-Q117 HydrophobicContact CB-CG 3.95Å
107	V	97.5	Very high	91.9	Very high	1 Å²	1	76.9 Å²	76.9	1%	0.006	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.3	167.8	-178.8	0	0	0	0	107.1	H22 V26 I118 G119 R121	H22-V107 HydrophobicContact CB-CG1 3.99Å; H22-V107 HydrophobicContact CB-CG2 4.07Å; V26-V107 HydrophobicContact CB-CG1 4.38Å; V26-V107 HydrophobicContact CG2-CB 4.24Å; V26-V107 HydrophobicContact CG2-CG1 4Å; V26-V107 HydrophobicContact CG2-CG2 4.25Å; V107-I118 HydrophobicContact CB-CG1 4.41Å; V107-I118 HydrophobicContact CG1-CD1 4.16Å; V107-I118 HydrophobicContact CG1-CG1 4.04Å; V107-I118 WeakPolarHBondContact O-CG1 3.45Å; V107-I118 PolarHBondContact O-N 3.12Å; V107-G119 PolarHBondContact N-O 2.81Å; V107-G119 PolarHBondContact O-N 3.33Å; V107-R121 HydrophobicContact CG2-CB 3.99Å; V107-R121 HydrophobicContact CG2-CG 4.1Å
108	F	96	Very high	92	Very high	81 Å²	81	75 Å²	75	36%	0.355	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	152.3	-179.8	-61.2	-86.1	0	0	0	111	T23 P106 W115 H116 Q117	T23-F108 PolarHBondContact OG1-O 2.98Å; P106-F108 HydrophobicContact CB-CD2 4.26Å; P106-F108 HydrophobicContact CB-CE1 4.49Å; P106-F108 HydrophobicContact CB-CE2 3.58Å; P106-F108 HydrophobicContact CB-CZ 3.7Å; P106-F108 HydrophobicContact CG-CD2 4.39Å; P106-F108 HydrophobicContact CG-CE2 3.44Å; P106-F108 VanDerWaalsContact CG-CE2 3.44Å; P106-F108 HydrophobicContact CG-CZ 3.77Å; F108-W115 HydrophobicContact CB-CB 4.38Å; F108-W115 HydrophobicContact CB-CE3 3.63Å; F108-W115 HydrophobicContact CB-CZ3 4.34Å; F108-W115 HydrophobicContact CD1-CB 4.25Å; F108-H116 VanDerWaalsContact CA-O 3.28Å; F108-H116 WeakPolarHBondContact CA-O 3.29Å; F108-Q117 HydrophobicContact CD1-CB 3.92Å; F108-Q117 HydrophobicContact CE1-CB 3.74Å; F108-Q117 HydrophobicContact CE1-CG 4.31Å
109	M	94.2	Very high	92.1	Very high	40 Å²	40	74.7 Å²	74.7	20%	0.197	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.3	162.1	176.3	-162.6	-56.6	0	0	109.1	T23 D27 W115 H116 I118	T23-M109 HydrophobicContact CG2-CB 3.86Å; T23-M109 HydrophobicContact CG2-CG 4.16Å; D27-M109 HydrophobicContact CB-CE 3.51Å; D27-M109 WeakPolarHBondContact OD1-CE 3.41Å; D27-M109 WeakPolarHBondContact OD2-CE 3.19Å; M109-W115 WeakPolarHBondContact O-CA 3.45Å; M109-H116 WeakPolarHBondContact CB-CE1 3.35Å; M109-H116 WeakPolarHBondContact CB-NE2 3.01Å; M109-H116 VanDerWaalsContact CG-CE1 3.44Å; M109-H116 WeakPolarHBondContact CG-CE1 3.28Å; M109-H116 PolarHBondContact N-O 3.33Å; M109-H116 PolarHBondContact O-CE1 2.93Å; M109-H116 PolarHBondContact O-N 3.1Å; M109-H116 PolarHBondContact O-ND1 3.37Å; M109-H116 PolarHBondContact SD-CE1 3.48Å; M109-H116 PolarHBondContact SD-NE2 2.73Å; M109-H116 VanDerWaalsContact SD-NE2 3.41Å; M109-I118 HydrophobicContact CB-CD1 4.09Å; M109-I118 HydrophobicContact CB-CG1 4.49Å; M109-I118 HydrophobicContact CB-CG2 3.98Å; M109-I118 HydrophobicContact CE-CD1 4.32Å; M109-I118 HydrophobicContact CE-CG2 4.46Å
110	A	88.6	Confident	92.2	Very high	60 Å²	60	73.8 Å²	73.8	50%	0.496	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	126.6	170.8	0	0	0	0	0	109.8	W115	A110-W115 HydrophobicContact CB-CD2 4.41Å; A110-W115 HydrophobicContact CB-CE3 4.26Å; A110-W115 HydrophobicContact CB-CH2 4.2Å; A110-W115 HydrophobicContact CB-CZ2 4.3Å; A110-W115 HydrophobicContact CB-CZ3 4.17Å
111	S	83.2	Confident	92.3	Very high	50 Å²	50	74.7 Å²	74.7	35%	0.35	38%	0.378	S	S	.	.			trans	-104.6	172.5	161.2	93.4	0	0	0	0	109.2	S113 N114	S111-S113 PolarHBondContact O-N 2.95Å; S111-N114 WeakPolarHBondContact CB-OD1 3.34Å; S111-N114 PolarHBondContact N-O 3.08Å; S111-N114 PolarHBondContact OG-N 3.32Å; S111-N114 PolarHBondContact OG-O 3.41Å; S111-N114 PolarHBondContact OG-OD1 3.22Å
112	K	77.3	Confident	92.5	Very high	195 Å²	195	72.5 Å²	72.5	85%	0.848	37%	0.367	S	S	*	.	S	Bend	trans	-51.8	-19.3	-178	-65.5	-178.7	178.7	178.8	0	115.2
113	S	79.3	Confident	92.7	Very high	99 Å²	99	72 Å²	72	69%	0.692	36%	0.36	S	S	*	.	S	Bend	trans	-144.7	-4.7	-179	59.8	0	0	0	0	115.3	S111	S111-S113 PolarHBondContact O-N 2.95Å
114	N	85.4	Confident	92.8	Very high	89 Å²	89	63.1 Å²	63.1	48%	0.476	32%	0.321	S	S	.	.			trans	-150.3	160.3	-178.5	65.6	23.5	0	0	0	112.7	S111	S111-N114 WeakPolarHBondContact CB-OD1 3.34Å; S111-N114 PolarHBondContact N-O 3.08Å; S111-N114 PolarHBondContact OG-N 3.32Å; S111-N114 PolarHBondContact OG-O 3.41Å; S111-N114 PolarHBondContact OG-OD1 3.22Å
115	W	88.4	Confident	92.8	Very high	175 Å²	175	60.7 Å²	60.7	66%	0.663	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	123.3	166.2	-69.5	81.9	0	0	0	108	F108 M109 A110	F108-W115 HydrophobicContact CB-CB 4.38Å; F108-W115 HydrophobicContact CB-CE3 3.63Å; F108-W115 HydrophobicContact CB-CZ3 4.34Å; F108-W115 HydrophobicContact CD1-CB 4.25Å; M109-W115 WeakPolarHBondContact O-CA 3.45Å; A110-W115 HydrophobicContact CB-CD2 4.41Å; A110-W115 HydrophobicContact CB-CE3 4.26Å; A110-W115 HydrophobicContact CB-CH2 4.2Å; A110-W115 HydrophobicContact CB-CZ2 4.3Å; A110-W115 HydrophobicContact CB-CZ3 4.17Å
116	H	91.6	Very high	92.8	Very high	65 Å²	65	55.2 Å²	55.2	30%	0.301	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.1	177.8	61	-77.7	0	0	0	109.5	F108 M109 I118	F108-H116 VanDerWaalsContact CA-O 3.28Å; F108-H116 WeakPolarHBondContact CA-O 3.29Å; M109-H116 WeakPolarHBondContact CB-CE1 3.35Å; M109-H116 WeakPolarHBondContact CB-NE2 3.01Å; M109-H116 VanDerWaalsContact CG-CE1 3.44Å; M109-H116 WeakPolarHBondContact CG-CE1 3.28Å; M109-H116 PolarHBondContact N-O 3.33Å; M109-H116 PolarHBondContact O-CE1 2.93Å; M109-H116 PolarHBondContact O-N 3.1Å; M109-H116 PolarHBondContact O-ND1 3.37Å; M109-H116 PolarHBondContact SD-CE1 3.48Å; M109-H116 PolarHBondContact SD-NE2 2.73Å; M109-H116 VanDerWaalsContact SD-NE2 3.41Å; H116-I118 WeakPolarHBondContact CD2-CG2 3.46Å; H116-I118 WeakPolarHBondContact NE2-CG2 3.34Å; H116-I118 PolarHBondContact O-N 3.28Å
117	Q	95.7	Very high	92.8	Very high	87 Å²	87	53.3 Å²	53.3	41%	0.407	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	115.2	177.9	-173.2	175.8	-43.6	0	0	108.3	P106 F108 L148	P106-Q117 HydrophobicContact CB-CG 3.95Å; F108-Q117 HydrophobicContact CD1-CB 3.92Å; F108-Q117 HydrophobicContact CE1-CB 3.74Å; F108-Q117 HydrophobicContact CE1-CG 4.31Å; Q117-L148 HydrophobicContact CG-CD1 3.84Å
118	I	96.4	Very high	92.7	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-17.4	-178.7	56.5	165.8	0	0	0	112.4	T23 V26 D27 V107 M109 H116 L148	T23-I118 HydrophobicContact CG2-CD1 4.03Å; V26-I118 HydrophobicContact CB-CD1 3.82Å; V26-I118 HydrophobicContact CB-CG1 4.33Å; V26-I118 HydrophobicContact CG1-CB 4.18Å; V26-I118 HydrophobicContact CG1-CD1 3.7Å; V26-I118 HydrophobicContact CG1-CG1 3.84Å; D27-I118 HydrophobicContact CB-CD1 3.95Å; V107-I118 HydrophobicContact CB-CG1 4.41Å; V107-I118 HydrophobicContact CG1-CD1 4.16Å; V107-I118 HydrophobicContact CG1-CG1 4.04Å; V107-I118 WeakPolarHBondContact O-CG1 3.45Å; V107-I118 PolarHBondContact O-N 3.12Å; M109-I118 HydrophobicContact CB-CD1 4.09Å; M109-I118 HydrophobicContact CB-CG1 4.49Å; M109-I118 HydrophobicContact CB-CG2 3.98Å; M109-I118 HydrophobicContact CE-CD1 4.32Å; M109-I118 HydrophobicContact CE-CG2 4.46Å; H116-I118 WeakPolarHBondContact CD2-CG2 3.46Å; H116-I118 WeakPolarHBondContact NE2-CG2 3.34Å; H116-I118 PolarHBondContact O-N 3.28Å; I118-L148 PolarHBondContact O-N 3.15Å
119	G	97.5	Very high	92.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	177.3	-168.2	0	0	0	0	0	114.4	V107 R146	V107-G119 PolarHBondContact N-O 2.81Å; V107-G119 PolarHBondContact O-N 3.33Å; G119-R146 CarbonylContact C-O 3.58Å; G119-R146 WeakPolarHBondContact CA-O 3.41Å
120	L	97.3	Very high	92.5	Very high	30 Å²	30	57.7 Å²	57.7	16%	0.157	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.1	168.9	-67.7	170.8	0	0	0	109.5	P104 K105 H145 R146 L148 E154	P104-L120 HydrophobicContact CB-CD2 4.42Å; K105-L120 CarbonylContact O-C 3.56Å; K105-L120 WeakPolarHBondContact O-CA 3.35Å; L120-H145 WeakPolarHBondContact O-CA 3.5Å; L120-R146 PolarHBondContact N-O 2.84Å; L120-R146 PolarHBondContact O-N 2.84Å; L120-L148 HydrophobicContact CD1-CD2 4.07Å; L120-L148 HydrophobicContact CG-CD1 4.23Å; L120-L148 HydrophobicContact CG-CD2 4.15Å; L120-E154 HydrophobicContact CD1-CG 4.31Å
121	R	97.6	Very high	92.6	Very high	70 Å²	70	64.7 Å²	64.7	26%	0.264	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.2	167.3	69.1	178	-173.9	-112.5	6.1	111.2	H22 P104 K105 V107 M143 E144	H22-R121 VanDerWaalsContact CD2-CZ 3.44Å; H22-R121 PolarHBondContact CD2-NH1 2.86Å; P104-R121 WeakPolarHBondContact CA-O 3.33Å; K105-R121 HydrophobicContact CB-CG 4.03Å; K105-R121 PolarHBondContact N-O 2.9Å; K105-R121 PolarHBondContact O-N 3.48Å; V107-R121 HydrophobicContact CG2-CB 3.99Å; V107-R121 HydrophobicContact CG2-CG 4.1Å; R121-M143 HydrophobicContact CB-CG 4.44Å; R121-E144 CarbonylContact C-O 3.55Å; R121-E144 VanDerWaalsContact CA-O 3.27Å; R121-E144 WeakPolarHBondContact CA-O 3.48Å
122	Q	97.3	Very high	93.2	Very high	20 Å²	20	67.9 Å²	67.9	9%	0.093	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.1	177.2	-170.4	172	-6.6	0	0	110.4	P104 F124 M143 E144	P104-Q122 HydrophobicContact CG-CG 4.33Å; Q122-F124 HydrophobicContact CB-CE2 3.76Å; Q122-F124 HydrophobicContact CB-CZ 4.01Å; Q122-F124 HydrophobicContact CG-CD2 4.45Å; Q122-F124 HydrophobicContact CG-CE1 4.22Å; Q122-F124 HydrophobicContact CG-CE2 3.63Å; Q122-F124 HydrophobicContact CG-CZ 3.49Å; Q122-F124 VanDerWaalsContact CG-CZ 3.49Å; Q122-M143 CarbonylContact O-C 3.49Å; Q122-M143 WeakPolarHBondContact O-CA 3.46Å; Q122-E144 PolarHBondContact N-O 3.24Å; Q122-E144 PolarHBondContact O-N 3.32Å
123	T	97.6	Very high	93.9	Very high	37 Å²	37	59.9 Å²	59.9	23%	0.227	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	137.4	-178.6	-54.5	0	0	0	0	110.1	E101 I141 M142	E101-T123 HydrophobicContact CB-CG2 4.24Å; E101-T123 HydrophobicContact CG-CG2 3.93Å; E101-T123 PolarHBondContact N-O 2.93Å; T123-I141 HydrophobicContact CG2-CG2 3.61Å; T123-M142 CarbonylContact C-O 3.57Å; T123-M142 WeakPolarHBondContact CA-O 3.38Å
124	F	97.1	Very high	94.6	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.009	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.6	179	-55.7	-96.3	0	0	0	110.9	R91 W98 H99 Q122 I141 M142 E144	R91-F124 VanDerWaalsContact CZ-CZ 3.46Å; W98-F124 HydrophobicContact CB-CB 4.15Å; W98-F124 HydrophobicContact CB-CD1 4.5Å; W98-F124 HydrophobicContact CE3-CB 4.14Å; H99-F124 CarbonylContact O-C 3.4Å; H99-F124 WeakPolarHBondContact O-CA 3.39Å; H99-F124 VanDerWaalsContact O-CB 3.31Å; H99-F124 WeakPolarHBondContact O-CB 3.31Å; Q122-F124 HydrophobicContact CB-CE2 3.76Å; Q122-F124 HydrophobicContact CB-CZ 4.01Å; Q122-F124 HydrophobicContact CG-CD2 4.45Å; Q122-F124 HydrophobicContact CG-CE1 4.22Å; Q122-F124 HydrophobicContact CG-CE2 3.63Å; Q122-F124 HydrophobicContact CG-CZ 3.49Å; Q122-F124 VanDerWaalsContact CG-CZ 3.49Å; F124-I141 CarbonylContact O-C 3.57Å; F124-I141 WeakPolarHBondContact O-CA 3.14Å; F124-M142 HydrophobicContact CB-CB 4.39Å; F124-M142 PolarHBondContact N-O 3.1Å; F124-M142 PolarHBondContact O-N 2.9Å; F124-E144 HydrophobicContact CD2-CB 4.36Å; F124-E144 HydrophobicContact CE2-CB 3.73Å
125	S	96.9	Very high	95	Very high	4 Å²	4	56 Å²	56	3%	0.028	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	143.4	164	-61.4	0	0	0	0	111.4	W98 H99 E101 R137 W140 I141	W98-S125 WeakPolarHBondContact CA-O 3.42Å; H99-S125 PolarHBondContact N-O 3.24Å; H99-S125 PolarHBondContact O-N 3.35Å; E101-S125 WeakPolarHBondContact OE1-CB 3.47Å; E101-S125 PolarHBondContact OE1-N 2.79Å; E101-S125 VanDerWaalsContact OE1-N 3.16Å; E101-S125 PolarHBondContact OE1-OG 2.89Å; E101-S125 PolarHBondContact OE2-OG 3.2Å; S125-R137 VanDerWaalsContact CB-NH1 3.29Å; S125-R137 PolarHBondContact OG-NH1 3.02Å; S125-W140 WeakPolarHBondContact CA-O 3.38Å; S125-I141 VanDerWaalsContact OG-CD1 3.29Å; S125-I141 WeakPolarHBondContact OG-CD1 3.45Å
126	F	97.2	Very high	95.3	Very high	1 Å²	1	51.9 Å²	51.9	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	121.5	171.8	-166.5	-117.1	0	0	0	110.9	P54 T93 W98 V128 T138 W140	P54-F126 VanDerWaalsContact CD-CE1 3.43Å; P54-F126 HydrophobicContact CG-CB 4.11Å; P54-F126 HydrophobicContact CG-CD1 3.42Å; P54-F126 VanDerWaalsContact CG-CD1 3.42Å; P54-F126 HydrophobicContact CG-CD2 4.3Å; P54-F126 HydrophobicContact CG-CE1 3.82Å; P54-F126 HydrophobicContact CG-CG 3.69Å; P54-F126 HydrophobicContact CG-CZ 4.42Å; T93-F126 HydrophobicContact CG2-CE2 3.77Å; T93-F126 HydrophobicContact CG2-CZ 4.25Å; T93-F126 WeakPolarHBondContact OG1-CE2 3.5Å; T93-F126 VanDerWaalsContact OG1-CZ 3.27Å; T93-F126 WeakPolarHBondContact OG1-CZ 3.3Å; W98-F126 HydrophobicContact CD2-CB 4.15Å; W98-F126 AromaticContact CD2-CD2 3.75Å; W98-F126 HydrophobicContact CD2-CD2 3.75Å; W98-F126 HydrophobicContact CD2-CG 4.4Å; W98-F126 AromaticContact CE2-CD2 3.68Å; W98-F126 HydrophobicContact CE3-CB 3.72Å; W98-F126 HydrophobicContact CE3-CD2 4.22Å; W98-F126 HydrophobicContact CE3-CG 4.45Å; W98-F126 HydrophobicContact CG-CD2 4.08Å; W98-F126 HydrophobicContact CH2-CB 3.88Å; W98-F126 HydrophobicContact CH2-CG 4.43Å; W98-F126 HydrophobicContact CZ2-CB 4.28Å; W98-F126 HydrophobicContact CZ2-CD2 4.09Å; W98-F126 HydrophobicContact CZ2-CG 4.38Å; W98-F126 HydrophobicContact CZ3-CB 3.58Å; W98-F126 HydrophobicContact CZ3-CG 4.47Å; W98-F126 AromaticContact NE1-CD2 3.96Å; F126-V128 HydrophobicContact CD1-CG1 3.78Å; F126-V128 HydrophobicContact CE1-CG1 3.25Å; F126-V128 HydrophobicContact CZ-CG1 3.91Å; F126-T138 HydrophobicContact CD1-CG2 3.78Å; F126-T138 HydrophobicContact CE1-CG2 4.39Å; F126-T138 PolarHBondContact O-N 3.1Å; F126-T138 PolarHBondContact O-OG1 3.04Å; F126-W140 HydrophobicContact CB-CB 3.89Å; F126-W140 PolarHBondContact N-O 3.44Å
127	V	96.4	Very high	95.4	Very high	9 Å²	9	53.6 Å²	53.6	6%	0.055	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.5	179.2	-178.1	0	0	0	0	108.6	G96 T97 H99 L135 F136 R137	G96-V127 CarbonylContact C-O 3.49Å; G96-V127 WeakPolarHBondContact CA-O 3.37Å; T97-V127 PolarHBondContact N-O 3.32Å; T97-V127 PolarHBondContact O-N 2.87Å; H99-V127 HydrophobicContact CB-CG2 4.12Å; V127-L135 HydrophobicContact CG1-CB 3.88Å; V127-L135 HydrophobicContact CG1-CD2 3.92Å; V127-L135 HydrophobicContact CG1-CG 4.41Å; V127-F136 WeakPolarHBondContact CA-O 3.37Å; V127-R137 HydrophobicContact CG2-CG 4.06Å
128	V	96.1	Very high	95.4	Very high	18 Å²	18	50.6 Å²	50.6	11%	0.109	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	161.7	174.1	-55.7	0	0	0	0	109.1	S95 F126 L135 F136 T138	S95-V128 WeakPolarHBondContact O-CB 3.49Å; S95-V128 WeakPolarHBondContact O-CG1 3.36Å; F126-V128 HydrophobicContact CD1-CG1 3.78Å; F126-V128 HydrophobicContact CE1-CG1 3.25Å; F126-V128 HydrophobicContact CZ-CG1 3.91Å; V128-L135 WeakPolarHBondContact O-CA 3.24Å; V128-F136 HydrophobicContact CG2-CD1 3.92Å; V128-F136 HydrophobicContact CG2-CD2 4.38Å; V128-F136 HydrophobicContact CG2-CE1 3.24Å; V128-F136 HydrophobicContact CG2-CE2 3.76Å; V128-F136 HydrophobicContact CG2-CG 4.46Å; V128-F136 HydrophobicContact CG2-CZ 3.15Å; V128-F136 PolarHBondContact N-O 2.88Å; V128-F136 WeakPolarHBondContact O-CD1 3.23Å; V128-F136 PolarHBondContact O-N 2.85Å; V128-T138 HydrophobicContact CB-CG2 4.14Å; V128-T138 HydrophobicContact CG1-CG2 3.57Å; V128-T138 HydrophobicContact CG2-CG2 3.56Å
129	R	95	Very high	95.4	Very high	137 Å²	137	50.6 Å²	50.6	52%	0.517	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	128.9	173.4	-162.7	173.6	-73.2	-105.1	9.4	108.7	G133 A134 L135 E209	R129-G133 WeakPolarHBondContact CD-O 3.34Å; R129-G133 WeakPolarHBondContact CG-O 3.37Å; R129-G133 PolarHBondContact NH1-O 3.38Å; R129-A134 WeakPolarHBondContact CA-O 3.37Å; R129-L135 HydrophobicContact CB-CD2 4.36Å; R129-E209 IonicContact NH2-OE1 3.33Å; R129-E209 PolarHBondContact NH2-OE1 3.26Å
130	N	91.1	Very high	95.3	Very high	60 Å²	60	51.4 Å²	51.4	32%	0.321	26%	0.261	S	S	.	.			trans	-78	-179.9	174.8	71.9	2	0	0	0	111.2	T132 G133 A134 F136	N130-T132 PolarHBondContact ND2-OG1 3.06Å; N130-T132 VanDerWaalsContact ND2-OG1 3.1Å; N130-T132 PolarHBondContact O-N 3.2Å; N130-T132 WeakPolarHBondContact OD1-CA 3.43Å; N130-T132 PolarHBondContact OD1-N 2.73Å; N130-T132 PolarHBondContact OD1-OG1 3.48Å; N130-G133 PolarHBondContact O-N 2.95Å; N130-G133 PolarHBondContact OD1-N 3.21Å; N130-G133 VanDerWaalsContact OD1-N 3.09Å; N130-A134 PolarHBondContact N-O 3.4Å; N130-A134 WeakPolarHBondContact OD1-CA 3.3Å; N130-A134 PolarHBondContact OD1-N 2.87Å; N130-A134 PolarHBondContact OD1-O 2.73Å; N130-F136 HydrophobicContact CB-CD1 3.67Å; N130-F136 HydrophobicContact CB-CE1 3.49Å; N130-F136 VanDerWaalsContact CB-CE1 3.49Å
131	E	91.2	Very high	95.3	Very high	207 Å²	207	50.5 Å²	50.5	97%	0.967	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-27.7	177.5	-61.6	175.4	-172.8	0	0	113.6	G133	E131-G133 VanDerWaalsContact C-N 3.26Å; E131-G133 PolarHBondContact O-N 3.14Å
132	T	93.9	Very high	95.3	Very high	116 Å²	116	47.1 Å²	47.1	71%	0.712	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-0	177.8	73.5	0	0	0	0	113	N130 A134	N130-T132 PolarHBondContact ND2-OG1 3.06Å; N130-T132 VanDerWaalsContact ND2-OG1 3.1Å; N130-T132 PolarHBondContact O-N 3.2Å; N130-T132 WeakPolarHBondContact OD1-CA 3.43Å; N130-T132 PolarHBondContact OD1-N 2.73Å; N130-T132 PolarHBondContact OD1-OG1 3.48Å; T132-A134 VanDerWaalsContact C-N 3.29Å; T132-A134 PolarHBondContact O-N 3.03Å
133	G	92.9	Very high	95.3	Very high	28 Å²	28	47.1 Å²	47.1	29%	0.289	24%	0.243	S	C	.	.	S	Bend	trans	82.1	0.5	-174.4	0	0	0	0	0	114.3	R129 N130 E131	R129-G133 WeakPolarHBondContact CD-O 3.34Å; R129-G133 WeakPolarHBondContact CG-O 3.37Å; R129-G133 PolarHBondContact NH1-O 3.38Å; N130-G133 PolarHBondContact O-N 2.95Å; N130-G133 PolarHBondContact OD1-N 3.21Å; N130-G133 VanDerWaalsContact OD1-N 3.09Å; E131-G133 VanDerWaalsContact C-N 3.26Å; E131-G133 PolarHBondContact O-N 3.14Å
134	A	94.5	Very high	95.3	Very high	46 Å²	46	45.4 Å²	45.4	38%	0.38	23%	0.232	S	C	.	.			trans	-80.3	139.3	178.1	0	0	0	0	0	111.2	R129 N130 T132	R129-A134 WeakPolarHBondContact CA-O 3.37Å; N130-A134 PolarHBondContact N-O 3.4Å; N130-A134 WeakPolarHBondContact OD1-CA 3.3Å; N130-A134 PolarHBondContact OD1-N 2.87Å; N130-A134 PolarHBondContact OD1-O 2.73Å; T132-A134 VanDerWaalsContact C-N 3.29Å; T132-A134 PolarHBondContact O-N 3.03Å
135	L	94.3	Very high	95.4	Very high	60 Å²	60	45.3 Å²	45.3	31%	0.314	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	134.5	174.8	-71.2	171.4	0	0	0	110	V127 V128 R129 L207	V127-L135 HydrophobicContact CG1-CB 3.88Å; V127-L135 HydrophobicContact CG1-CD2 3.92Å; V127-L135 HydrophobicContact CG1-CG 4.41Å; V128-L135 WeakPolarHBondContact O-CA 3.24Å; R129-L135 HydrophobicContact CB-CD2 4.36Å; L135-L207 HydrophobicContact CB-CD1 3.37Å; L135-L207 HydrophobicContact CD1-CB 4.03Å; L135-L207 HydrophobicContact CD1-CD1 3.76Å; L135-L207 HydrophobicContact CD1-CG 4.49Å; L135-L207 HydrophobicContact CG-CD1 4.21Å
136	F	94.1	Very high	95.4	Very high	89 Å²	89	45.6 Å²	45.6	39%	0.39	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	145.1	174.5	73.4	-83.2	0	0	0	112.8	V127 V128 N130 T138	V127-F136 WeakPolarHBondContact CA-O 3.37Å; V128-F136 HydrophobicContact CG2-CD1 3.92Å; V128-F136 HydrophobicContact CG2-CD2 4.38Å; V128-F136 HydrophobicContact CG2-CE1 3.24Å; V128-F136 HydrophobicContact CG2-CE2 3.76Å; V128-F136 HydrophobicContact CG2-CG 4.46Å; V128-F136 HydrophobicContact CG2-CZ 3.15Å; V128-F136 PolarHBondContact N-O 2.88Å; V128-F136 WeakPolarHBondContact O-CD1 3.23Å; V128-F136 PolarHBondContact O-N 2.85Å; N130-F136 HydrophobicContact CB-CD1 3.67Å; N130-F136 HydrophobicContact CB-CE1 3.49Å; N130-F136 VanDerWaalsContact CB-CE1 3.49Å; F136-T138 HydrophobicContact CE2-CG2 4.27Å; F136-T138 PolarHBondContact O-N 3.38Å
137	R	94.4	Very high	95.4	Very high	100 Å²	100	45.7 Å²	45.7	38%	0.377	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	116.9	174.4	-65.5	168	178.7	-83.9	0.6	109.3	E101 S125 V127 G139 K177	E101-R137 IonicContact OE1-CZ 3.67Å; E101-R137 IonicContact OE1-NH1 2.97Å; E101-R137 PolarHBondContact OE1-NH1 2.88Å; E101-R137 IonicContact OE1-NH2 3.76Å; E101-R137 IonicContact OE2-CZ 3.34Å; E101-R137 IonicContact OE2-NH1 2.98Å; E101-R137 PolarHBondContact OE2-NH1 2.86Å; E101-R137 IonicContact OE2-NH2 3.27Å; S125-R137 VanDerWaalsContact CB-NH1 3.29Å; S125-R137 PolarHBondContact OG-NH1 3.02Å; V127-R137 HydrophobicContact CG2-CG 4.06Å; R137-G139 PolarHBondContact O-N 3.35Å; R137-K177 PolarHBondContact O-NZ 2.71Å
138	T	94.6	Very high	95.4	Very high	25 Å²	25	45.5 Å²	45.5	15%	0.153	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	-19.2	179.3	60.5	0	0	0	0	113.1	F126 V128 F136 W140 R173	F126-T138 HydrophobicContact CD1-CG2 3.78Å; F126-T138 HydrophobicContact CE1-CG2 4.39Å; F126-T138 PolarHBondContact O-N 3.1Å; F126-T138 PolarHBondContact O-OG1 3.04Å; V128-T138 HydrophobicContact CB-CG2 4.14Å; V128-T138 HydrophobicContact CG1-CG2 3.57Å; V128-T138 HydrophobicContact CG2-CG2 3.56Å; F136-T138 HydrophobicContact CE2-CG2 4.27Å; F136-T138 PolarHBondContact O-N 3.38Å; T138-W140 PolarHBondContact OG1-N 3.34Å; T138-R173 PolarHBondContact O-NH1 3.26Å
139	G	95.6	Very high	95.2	Very high	4 Å²	4	47.2 Å²	47.2	4%	0.041	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92.8	-4.4	-174.3	0	0	0	0	0	113.5	R137 S174	R137-G139 PolarHBondContact O-N 3.35Å; G139-S174 WeakPolarHBondContact O-CB 3.3Å; G139-S174 PolarHBondContact O-N 3.49Å
140	W	96.7	Very high	94.8	Very high	17 Å²	17	48.5 Å²	48.5	6%	0.064	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	131.3	168.4	-68.3	112.8	0	0	0	111	P54 L58 W73 W98 S125 F126 T138 V171 R173	P54-W140 HydrophobicContact CB-CB 4.04Å; P54-W140 HydrophobicContact CB-CD2 3.89Å; P54-W140 HydrophobicContact CB-CE3 4.5Å; P54-W140 HydrophobicContact CB-CG 3.66Å; P54-W140 HydrophobicContact CG-CB 3.87Å; P54-W140 HydrophobicContact CG-CD2 4.29Å; P54-W140 HydrophobicContact CG-CG 3.59Å; L58-W140 HydrophobicContact CD1-CD2 4.22Å; L58-W140 HydrophobicContact CD1-CE3 3.51Å; L58-W140 HydrophobicContact CD1-CH2 3.34Å; L58-W140 HydrophobicContact CD1-CZ2 4.05Å; L58-W140 HydrophobicContact CD1-CZ3 3.03Å; L58-W140 HydrophobicContact CG-CZ3 4.48Å; W73-W140 HydrophobicContact CZ3-CZ3 4.3Å; W98-W140 HydrophobicContact CH2-CB 4.11Å; W98-W140 HydrophobicContact CZ3-CB 4.33Å; S125-W140 WeakPolarHBondContact CA-O 3.38Å; F126-W140 HydrophobicContact CB-CB 3.89Å; F126-W140 PolarHBondContact N-O 3.44Å; T138-W140 PolarHBondContact OG1-N 3.34Å; W140-V171 HydrophobicContact CE3-CG1 4.33Å; W140-R173 HydrophobicContact CD2-CG 4.46Å; W140-R173 VanDerWaalsContact CE2-NE 3.29Å; W140-R173 HydrophobicContact CE3-CG 3.94Å; W140-R173 HydrophobicContact CH2-CG 3.88Å; W140-R173 HydrophobicContact CZ2-CG 4.43Å; W140-R173 VanDerWaalsContact CZ2-NE 3.31Å; W140-R173 HydrophobicContact CZ3-CG 3.6Å
141	I	96.9	Very high	94.8	Very high	10 Å²	10	52.2 Å²	52.2	5%	0.051	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.1	178.3	-52.2	-62.2	0	0	0	108.7	T123 F124 S125 V171 Y172	T123-I141 HydrophobicContact CG2-CG2 3.61Å; F124-I141 CarbonylContact O-C 3.57Å; F124-I141 WeakPolarHBondContact O-CA 3.14Å; S125-I141 VanDerWaalsContact OG-CD1 3.29Å; S125-I141 WeakPolarHBondContact OG-CD1 3.45Å; I141-V171 WeakPolarHBondContact O-CA 3.14Å; I141-Y172 HydrophobicContact CB-CD1 4.28Å; I141-Y172 HydrophobicContact CB-CE1 3.86Å; I141-Y172 HydrophobicContact CB-CE2 4.13Å; I141-Y172 HydrophobicContact CG1-CE2 4.41Å; I141-Y172 HydrophobicContact CG2-CD1 4.48Å; I141-Y172 HydrophobicContact CG2-CE1 3.64Å; I141-Y172 HydrophobicContact CG2-CE2 4.34Å; I141-Y172 WeakPolarHBondContact CG2-OH 3.28Å; I141-Y172 PolarHBondContact N-O 2.84Å; I141-Y172 PolarHBondContact O-N 3.03Å
142	M	97.5	Very high	94.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.4	168.6	-175.8	-171	-47.1	0	0	109.4	V49 Y50 W98 T123 F124 C169 K170 V171	V49-M142 HydrophobicContact CB-CE 4.1Å; V49-M142 HydrophobicContact CG1-CE 3.31Å; V49-M142 HydrophobicContact CG1-SD 4.26Å; Y50-M142 HydrophobicContact CE1-CE 4.43Å; Y50-M142 HydrophobicContact CE1-SD 4Å; W98-M142 HydrophobicContact CD2-CB 4.44Å; W98-M142 HydrophobicContact CD2-CE 3.53Å; W98-M142 HydrophobicContact CE3-CB 3.84Å; W98-M142 HydrophobicContact CE3-CE 4.02Å; W98-M142 HydrophobicContact CG-CE 3.98Å; W98-M142 HydrophobicContact CH2-CB 4Å; W98-M142 HydrophobicContact CH2-CE 4.01Å; W98-M142 HydrophobicContact CZ2-CE 3.52Å; W98-M142 HydrophobicContact CZ3-CB 3.59Å; W98-M142 HydrophobicContact CZ3-CE 4.24Å; T123-M142 CarbonylContact C-O 3.57Å; T123-M142 WeakPolarHBondContact CA-O 3.38Å; F124-M142 HydrophobicContact CB-CB 4.39Å; F124-M142 PolarHBondContact N-O 3.1Å; F124-M142 PolarHBondContact O-N 2.9Å; M142-C169 HydrophobicContact CG-CB 4.14Å; M142-C169 HydrophobicContact SD-CB 4.09Å; M142-C169 VanDerWaalsContact SD-SG 3.7Å; M142-K170 CarbonylContact C-O 3.6Å; M142-K170 WeakPolarHBondContact CA-O 3.46Å; M142-V171 HydrophobicContact CG-CG2 4.22Å
143	M	97.8	Very high	94.5	Very high	20 Å²	20	45.2 Å²	45.2	10%	0.099	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	111	164.1	-169.2	177	-64.8	0	0	109.7	H22 R121 Q122 H145 C169 K170	H22-M143 PolarHBondContact CE1-SD 3.42Å; R121-M143 HydrophobicContact CB-CG 4.44Å; Q122-M143 CarbonylContact O-C 3.49Å; Q122-M143 WeakPolarHBondContact O-CA 3.46Å; M143-H145 PolarHBondContact O-ND1 3.04Å; M143-C169 WeakPolarHBondContact O-CA 3.24Å; M143-K170 HydrophobicContact CB-CB 4.35Å; M143-K170 PolarHBondContact N-O 3.27Å; M143-K170 PolarHBondContact O-N 2.82Å
144	E	98	Very high	94.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.2	177.7	-177.1	-178.4	109.5	0	0	109.1	Y50 L79 R91 R121 Q122 F124 R146 V167	Y50-E144 WeakPolarHBondContact CE1-OE2 2.9Å; Y50-E144 VanDerWaalsContact OH-CG 3.3Å; Y50-E144 WeakPolarHBondContact OH-CG 3.28Å; Y50-E144 PolarHBondContact OH-OE2 2.97Å; L79-E144 WeakPolarHBondContact CD2-OE1 3.35Å; L79-E144 WeakPolarHBondContact CD2-OE2 3.31Å; R91-E144 IonicContact CZ-OE2 3.13Å; R91-E144 IonicContact NE-OE2 3.8Å; R91-E144 PolarHBondContact NE-OE2 3.09Å; R91-E144 IonicContact NH2-OE1 3.17Å; R91-E144 PolarHBondContact NH2-OE1 3.36Å; R91-E144 VanDerWaalsContact NH2-OE1 3.15Å; R91-E144 IonicContact NH2-OE2 2.66Å; R91-E144 PolarHBondContact NH2-OE2 3.38Å; R121-E144 CarbonylContact C-O 3.55Å; R121-E144 VanDerWaalsContact CA-O 3.27Å; R121-E144 WeakPolarHBondContact CA-O 3.48Å; Q122-E144 PolarHBondContact N-O 3.24Å; Q122-E144 PolarHBondContact O-N 3.32Å; F124-E144 HydrophobicContact CD2-CB 4.36Å; F124-E144 HydrophobicContact CE2-CB 3.73Å; E144-R146 HydrophobicContact CG-CG 4.17Å; E144-R146 WeakPolarHBondContact OE1-CD 3.44Å; E144-R146 IonicContact OE1-CZ 3.62Å; E144-R146 IonicContact OE1-NE 2.8Å; E144-R146 IonicContact OE1-NH1 3.76Å; E144-R146 PolarHBondContact OE1-NH1 3.17Å; E144-V167 HydrophobicContact CG-CB 4.22Å; E144-V167 HydrophobicContact CG-CG1 4.32Å
145	H	98.1	Very high	94	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.2	172.8	-58	76.8	0	0	0	109.2	H22 L25 V26 L30 L120 M143 V167 L168	H22-H145 AromaticContact CE1-NE2 3.99Å; H22-H145 AromaticContact CG-NE2 3.95Å; H22-H145 AromaticContact ND1-CD2 3.97Å; H22-H145 AromaticContact ND1-NE2 3.03Å; H22-H145 PolarHBondContact ND1-NE2 2.78Å; L25-H145 VanDerWaalsContact CD1-CE1 3.47Å; L25-H145 WeakPolarHBondContact CD1-CE1 3.38Å; V26-H145 HydrophobicContact CG2-CB 4.06Å; L30-H145 HydrophobicContact CD2-CB 4.5Å; L30-H145 WeakPolarHBondContact CD2-O 3.46Å; L120-H145 WeakPolarHBondContact O-CA 3.5Å; M143-H145 PolarHBondContact O-ND1 3.04Å; H145-V167 WeakPolarHBondContact O-CA 3.49Å; H145-L168 HydrophobicContact CB-CB 4.38Å; H145-L168 WeakPolarHBondContact CB-O 3.18Å; H145-L168 PolarHBondContact N-O 2.88Å; H145-L168 PolarHBondContact ND1-O 2.97Å; H145-L168 VanDerWaalsContact ND1-O 3.14Å; H145-L168 PolarHBondContact O-N 3.31Å; H145-L168 VanDerWaalsContact O-N 3.07Å
146	R	96.9	Very high	93.6	Very high	10 Å²	10	47.5 Å²	47.5	4%	0.038	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.8	-179.8	-54.3	-167.2	-68.2	-94.8	5.8	109.3	G119 L120 E144 E154 V167	G119-R146 CarbonylContact C-O 3.58Å; G119-R146 WeakPolarHBondContact CA-O 3.41Å; L120-R146 PolarHBondContact N-O 2.84Å; L120-R146 PolarHBondContact O-N 2.84Å; E144-R146 HydrophobicContact CG-CG 4.17Å; E144-R146 WeakPolarHBondContact OE1-CD 3.44Å; E144-R146 IonicContact OE1-CZ 3.62Å; E144-R146 IonicContact OE1-NE 2.8Å; E144-R146 IonicContact OE1-NH1 3.76Å; E144-R146 PolarHBondContact OE1-NH1 3.17Å; R146-E154 VanDerWaalsContact CD-OE2 3.31Å; R146-E154 WeakPolarHBondContact CD-OE2 3.07Å; R146-E154 IonicContact CZ-OE1 4Å; R146-E154 IonicContact NE-OE1 3.58Å; R146-E154 PolarHBondContact NE-OE1 2.8Å; R146-E154 IonicContact NE-OE2 2.73Å; R146-E154 PolarHBondContact NE-OE2 2.66Å; R146-E154 VanDerWaalsContact NE-OE2 3.17Å; R146-E154 IonicContact NH2-OE1 2.64Å; R146-E154 PolarHBondContact NH2-OE1 2.7Å; R146-V167 HydrophobicContact CG-CG1 3.9Å
147	L	97.2	Very high	93	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	140.3	176.3	-173.6	72.6	0	0	0	109.6	V26 L30 R31 V34 K155	V26-L147 HydrophobicContact CG1-CD1 3.64Å; L30-L147 HydrophobicContact CD2-CB 4.03Å; L30-L147 HydrophobicContact CG-CB 4.2Å; R31-L147 HydrophobicContact CB-CD1 4.05Å; R31-L147 HydrophobicContact CB-CD2 4.27Å; R31-L147 HydrophobicContact CG-CD1 4.36Å; R31-L147 HydrophobicContact CG-CD2 4.27Å; V34-L147 HydrophobicContact CB-CD2 3.67Å; V34-L147 HydrophobicContact CG1-CD2 3.76Å; V34-L147 HydrophobicContact CG2-CD2 3.96Å; L147-K155 HydrophobicContact CB-CG 4.3Å; L147-K155 HydrophobicContact CD2-CD 3.72Å; L147-K155 HydrophobicContact CD2-CG 4Å; L147-K155 HydrophobicContact CG-CD 4.23Å; L147-K155 HydrophobicContact CG-CG 4.05Å; L147-K155 PolarHBondContact O-N 3.21Å
148	L	96.4	Very high	92.4	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.026	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-102.4	152.9	173.1	-56.9	178.5	0	0	0	111.6	Q117 I118 L120 E153 E154 K155	Q117-L148 HydrophobicContact CG-CD1 3.84Å; I118-L148 PolarHBondContact O-N 3.15Å; L120-L148 HydrophobicContact CD1-CD2 4.07Å; L120-L148 HydrophobicContact CG-CD1 4.23Å; L120-L148 HydrophobicContact CG-CD2 4.15Å; L148-E153 CarbonylContact C-O 3.58Å; L148-E153 WeakPolarHBondContact CA-O 3.03Å; L148-E154 HydrophobicContact CD2-CB 4.34Å; L148-E154 HydrophobicContact CD2-CG 3.77Å; L148-K155 VanDerWaalsContact O-CE 3.24Å; L148-K155 WeakPolarHBondContact O-CE 3.49Å
149	N	92.1	Very high	91.8	Very high	54 Å²	54	49.2 Å²	49.2	29%	0.289	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-75.1	170.2	162.5	-74.3	-29.5	0	0	0	110.6	D151 G152 E153 K155	N149-D151 PolarHBondContact O-N 3.32Å; N149-G152 PolarHBondContact O-N 2.8Å; N149-E153 PolarHBondContact N-O 3.23Å; N149-K155 WeakPolarHBondContact OD1-CD 3.19Å; N149-K155 WeakPolarHBondContact OD1-CE 3.25Å; N149-K155 WeakPolarHBondContact OD1-CG 3.37Å
150	D	87.5	Confident	91.1	Very high	164 Å²	164	57.6 Å²	57.6	88%	0.877	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.5	177.2	-62.1	-25.2	0	0	0	112.3	G152	D150-G152 PolarHBondContact O-N 3.34Å
151	D	89.5	Confident	90.2	Very high	138 Å²	138	59.2 Å²	59.2	74%	0.738	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-0.7	174.4	-53.2	-53.6	0	0	0	113.6	N149 E153	N149-D151 PolarHBondContact O-N 3.32Å; D151-E153 VanDerWaalsContact C-N 3.28Å; D151-E153 HydrophobicContact CB-CG 4.42Å; D151-E153 PolarHBondContact O-N 2.87Å
152	G	88.8	Confident	89.3	Confident	45 Å²	45	63.3 Å²	63.3	46%	0.464	33%	0.331	S	S	.	.	S	Bend	trans	79.8	5.4	-178.1	0	0	0	0	0	114.7	N149 D150	N149-G152 PolarHBondContact O-N 2.8Å; D150-G152 PolarHBondContact O-N 3.34Å
153	E	90.3	Very high	88.6	Confident	130 Å²	130	66.1 Å²	66.1	61%	0.607	35%	0.346	S	S	*	.			trans	-87.7	151.5	177.4	-59.5	-169.1	149.7	0	0	112.4	L148 N149 D151 K155	L148-E153 CarbonylContact C-O 3.58Å; L148-E153 WeakPolarHBondContact CA-O 3.03Å; N149-E153 PolarHBondContact N-O 3.23Å; D151-E153 VanDerWaalsContact C-N 3.28Å; D151-E153 HydrophobicContact CB-CG 4.42Å; D151-E153 PolarHBondContact O-N 2.87Å; E153-K155 PolarHBondContact O-N 2.88Å
154	E	89.9	Confident	88.1	Confident	43 Å²	43	65.1 Å²	65.1	20%	0.201	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-66.9	126.6	176.9	-63.9	-176.7	-176.4	0	0	111.1	K89 L120 R146 L148 Q156 Y165	K89-E154 IonicContact NZ-OE1 2.84Å; K89-E154 IonicContact NZ-OE2 2.78Å; K89-E154 PolarHBondContact NZ-OE2 2.96Å; L120-E154 HydrophobicContact CD1-CG 4.31Å; R146-E154 VanDerWaalsContact CD-OE2 3.31Å; R146-E154 WeakPolarHBondContact CD-OE2 3.07Å; R146-E154 IonicContact CZ-OE1 4Å; R146-E154 IonicContact NE-OE1 3.58Å; R146-E154 PolarHBondContact NE-OE1 2.8Å; R146-E154 IonicContact NE-OE2 2.73Å; R146-E154 PolarHBondContact NE-OE2 2.66Å; R146-E154 VanDerWaalsContact NE-OE2 3.17Å; R146-E154 IonicContact NH2-OE1 2.64Å; R146-E154 PolarHBondContact NH2-OE1 2.7Å; L148-E154 HydrophobicContact CD2-CB 4.34Å; L148-E154 HydrophobicContact CD2-CG 3.77Å; E154-Q156 PolarHBondContact O-N 3.42Å; E154-Y165 HydrophobicContact CB-CD1 4.06Å; E154-Y165 HydrophobicContact CB-CE1 3.75Å
155	K	86.9	Confident	87.8	Confident	42 Å²	42	65.7 Å²	65.7	18%	0.183	34%	0.343	C	S	.	.			trans	-62.1	105.3	176.8	-58.6	-135.3	179.7	-178.3	0	109.5	V34 E35 L147 L148 N149 E153	V34-K155 HydrophobicContact CG1-CB 4.06Å; V34-K155 HydrophobicContact CG1-CD 3.83Å; V34-K155 HydrophobicContact CG1-CG 4.39Å; E35-K155 IonicContact OE1-NZ 3.15Å; E35-K155 PolarHBondContact OE1-NZ 3.01Å; L147-K155 HydrophobicContact CB-CG 4.3Å; L147-K155 HydrophobicContact CD2-CD 3.72Å; L147-K155 HydrophobicContact CD2-CG 4Å; L147-K155 HydrophobicContact CG-CD 4.23Å; L147-K155 HydrophobicContact CG-CG 4.05Å; L147-K155 PolarHBondContact O-N 3.21Å; L148-K155 VanDerWaalsContact O-CE 3.24Å; L148-K155 WeakPolarHBondContact O-CE 3.49Å; N149-K155 WeakPolarHBondContact OD1-CD 3.19Å; N149-K155 WeakPolarHBondContact OD1-CE 3.25Å; N149-K155 WeakPolarHBondContact OD1-CG 3.37Å; E153-K155 PolarHBondContact O-N 2.88Å
156	Q	86.6	Confident	87.7	Confident	98 Å²	98	67.9 Å²	67.9	46%	0.458	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	149.8	173.3	64.6	-170.8	14.6	0	0	110.8	E154 L163 Y165	E154-Q156 PolarHBondContact O-N 3.42Å; Q156-L163 HydrophobicContact CG-CD2 4.32Å; Q156-Y165 HydrophobicContact CB-CD1 4.1Å; Q156-Y165 HydrophobicContact CB-CE1 3.55Å; Q156-Y165 PolarHBondContact OE1-OH 3.07Å
157	Q	82.4	Confident	87.7	Confident	51 Å²	51	67.4 Å²	67.4	24%	0.238	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	155.4	173.1	-61.4	-177.4	21.1	0	0	108.8	V34 L163 V164	V34-Q157 PolarHBondContact O-NE2 2.83Å; Q157-L163 WeakPolarHBondContact O-CA 3.3Å; Q157-V164 HydrophobicContact CB-CG2 4.05Å; Q157-V164 PolarHBondContact N-O 2.89Å; Q157-V164 WeakPolarHBondContact O-CG2 3.45Å; Q157-V164 PolarHBondContact O-N 3.29Å
158	E	81.5	Confident	87.8	Confident	146 Å²	146	67.2 Å²	67.2	68%	0.682	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.2	172.5	-167.3	177.3	167.6	0	0	108.9	G161 F162	E158-G161 WeakPolarHBondContact OE1-CA 3.44Å; E158-F162 WeakPolarHBondContact CA-O 3.27Å
159	E	80.8	Confident	87.9	Confident	53 Å²	53	67 Å²	67	25%	0.248	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119.7	172.9	-73.3	-176.4	-176.2	0	0	108.5	R80 G161 F162 V164 R166	R80-E159 IonicContact NH2-OE2 3.83Å; E159-G161 VanDerWaalsContact C-N 3.25Å; E159-G161 PolarHBondContact O-N 2.95Å; E159-F162 PolarHBondContact N-O 2.87Å; E159-F162 PolarHBondContact O-N 3.31Å; E159-V164 HydrophobicContact CB-CG1 4.08Å; E159-V164 HydrophobicContact CB-CG2 3.93Å; E159-V164 HydrophobicContact CG-CG2 3.66Å; E159-R166 IonicContact OE1-NH2 3.55Å
160	E	81.4	Confident	88.1	Confident	179 Å²	179	66 Å²	66	84%	0.836	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	35.8	179.9	-57.3	-179.4	167.7	0	0	114.1	F162	E160-F162 VanDerWaalsContact C-N 3.3Å; E160-F162 VanDerWaalsContact O-CD2 3.32Å; E160-F162 WeakPolarHBondContact O-CD2 3.46Å; E160-F162 PolarHBondContact O-N 2.82Å
161	G	78.2	Confident	88.6	Confident	51 Å²	51	58.2 Å²	58.2	53%	0.526	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	6.4	-179.4	0	0	0	0	0	114.7	E158 E159	E158-G161 WeakPolarHBondContact OE1-CA 3.44Å; E159-G161 VanDerWaalsContact C-N 3.25Å; E159-G161 PolarHBondContact O-N 2.95Å
162	F	76.5	Confident	89	Confident	96 Å²	96	54.3 Å²	54.3	42%	0.421	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.6	175.4	-65.2	-87.1	0	0	0	110.7	E158 E159 E160 V164	E158-F162 WeakPolarHBondContact CA-O 3.27Å; E159-F162 PolarHBondContact N-O 2.87Å; E159-F162 PolarHBondContact O-N 3.31Å; E160-F162 VanDerWaalsContact C-N 3.3Å; E160-F162 VanDerWaalsContact O-CD2 3.32Å; E160-F162 WeakPolarHBondContact O-CD2 3.46Å; E160-F162 PolarHBondContact O-N 2.82Å; F162-V164 PolarHBondContact O-N 2.95Å
163	L	83	Confident	89.3	Confident	59 Å²	59	55.2 Å²	55.2	31%	0.309	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	122.7	166.4	-67	176.7	0	0	0	109.6	Y81 Q156 Q157	Y81-L163 HydrophobicContact CD2-CB 3.9Å; Y81-L163 HydrophobicContact CE2-CB 3.79Å; Y81-L163 HydrophobicContact CE2-CD1 4.02Å; Q156-L163 HydrophobicContact CG-CD2 4.32Å; Q157-L163 WeakPolarHBondContact O-CA 3.3Å
164	V	88	Confident	89.4	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	141.4	177.2	-58	0	0	0	0	110.2	R80 Q157 E159 F162	R80-V164 HydrophobicContact CG-CG1 4.13Å; Q157-V164 HydrophobicContact CB-CG2 4.05Å; Q157-V164 PolarHBondContact N-O 2.89Å; Q157-V164 WeakPolarHBondContact O-CG2 3.45Å; Q157-V164 PolarHBondContact O-N 3.29Å; E159-V164 HydrophobicContact CB-CG1 4.08Å; E159-V164 HydrophobicContact CB-CG2 3.93Å; E159-V164 HydrophobicContact CG-CG2 3.66Å; F162-V164 PolarHBondContact O-N 2.95Å
165	Y	92.1	Very high	89.2	Confident	12 Å²	12	52.2 Å²	52.2	5%	0.047	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.2	170	-59.9	-90.9	0	0	0	108.8	L79 Y81 E154 Q156	L79-Y165 PolarHBondContact N-O 3.13Å; L79-Y165 PolarHBondContact O-N 3.15Å; Y81-Y165 HydrophobicContact CD2-CE2 4.41Å; Y81-Y165 HydrophobicContact CE1-CE2 4.38Å; Y81-Y165 AromaticContact CE2-CE2 3.58Å; Y81-Y165 HydrophobicContact CE2-CE2 3.58Å; Y81-Y165 AromaticContact CZ-CE2 3.59Å; Y81-Y165 PolarHBondContact OH-OH 2.76Å; E154-Y165 HydrophobicContact CB-CD1 4.06Å; E154-Y165 HydrophobicContact CB-CE1 3.75Å; Q156-Y165 HydrophobicContact CB-CD1 4.1Å; Q156-Y165 HydrophobicContact CB-CE1 3.55Å; Q156-Y165 PolarHBondContact OE1-OH 3.07Å
166	R	95.6	Very high	89.2	Confident	45 Å²	45	59.8 Å²	59.8	17%	0.17	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	123.8	166.2	-73.4	179.7	-177.2	164.6	11.2	108.1	W33 V34 L78 E159	W33-R166 HydrophobicContact CD2-CB 4.36Å; W33-R166 HydrophobicContact CD2-CG 4.36Å; W33-R166 HydrophobicContact CE3-CB 3.89Å; W33-R166 HydrophobicContact CE3-CG 4.31Å; W33-R166 HydrophobicContact CH2-CB 3.88Å; W33-R166 HydrophobicContact CH2-CG 3.76Å; W33-R166 HydrophobicContact CZ2-CB 4.29Å; W33-R166 HydrophobicContact CZ2-CG 3.74Å; W33-R166 HydrophobicContact CZ3-CB 3.65Å; W33-R166 HydrophobicContact CZ3-CG 4.04Å; W33-R166 PolarHBondContact O-NH1 3.33Å; V34-R166 HydrophobicContact CG2-CB 3.83Å; L78-R166 HydrophobicContact CD2-CG 3.72Å; E159-R166 IonicContact OE1-NH2 3.55Å
167	V	97.1	Very high	88.7	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	151.7	-175.1	-60.8	0	0	0	0	110.9	Y50 S77 L79 E144 H145 R146	Y50-V167 HydrophobicContact CE2-CG2 3.83Å; Y50-V167 WeakPolarHBondContact OH-CG2 3.35Å; S77-V167 PolarHBondContact N-O 2.59Å; S77-V167 WeakPolarHBondContact O-CG2 3.18Å; S77-V167 PolarHBondContact O-N 2.83Å; L79-V167 HydrophobicContact CB-CG1 4.12Å; L79-V167 HydrophobicContact CB-CG2 4.08Å; L79-V167 HydrophobicContact CD2-CG1 4.28Å; E144-V167 HydrophobicContact CG-CB 4.22Å; E144-V167 HydrophobicContact CG-CG1 4.32Å; H145-V167 WeakPolarHBondContact O-CA 3.49Å; R146-V167 HydrophobicContact CG-CG1 3.9Å
168	L	98.3	Very high	87.8	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.9	173.5	-170	163	0	0	0	109.6	L25 L30 I44 Y74 F75 Y76 H145	L25-L168 HydrophobicContact CB-CD1 4.41Å; L25-L168 HydrophobicContact CB-CD2 4.32Å; L25-L168 HydrophobicContact CD1-CD2 4.31Å; L25-L168 HydrophobicContact CD2-CD1 4.14Å; L25-L168 HydrophobicContact CD2-CD2 3.81Å; L25-L168 HydrophobicContact CG-CD2 4.36Å; L30-L168 HydrophobicContact CB-CB 4.26Å; L30-L168 HydrophobicContact CB-CD1 4.48Å; L30-L168 HydrophobicContact CD1-CB 4.28Å; L30-L168 HydrophobicContact CD2-CB 4.41Å; I44-L168 HydrophobicContact CD1-CD1 3.93Å; Y74-L168 HydrophobicContact CD1-CD2 4.12Å; F75-L168 CarbonylContact O-C 3.48Å; F75-L168 WeakPolarHBondContact O-CA 2.93Å; Y76-L168 HydrophobicContact CE1-CD1 4.17Å; H145-L168 HydrophobicContact CB-CB 4.38Å; H145-L168 WeakPolarHBondContact CB-O 3.18Å; H145-L168 PolarHBondContact N-O 2.88Å; H145-L168 PolarHBondContact ND1-O 2.97Å; H145-L168 VanDerWaalsContact ND1-O 3.14Å; H145-L168 PolarHBondContact O-N 3.31Å; H145-L168 VanDerWaalsContact O-N 3.07Å
169	C	98.4	Very high	86.8	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	126.6	-177.3	-64.3	0	0	0	0	111	V49 Y50 Y74 F75 M142 M143	V49-C169 HydrophobicContact CG2-CB 4.18Å; Y50-C169 PolarHBondContact OH-SG 3.33Å; Y74-C169 CarbonylContact C-O 3.51Å; Y74-C169 WeakPolarHBondContact CA-O 2.9Å; F75-C169 HydrophobicContact CB-CB 4.4Å; F75-C169 PolarHBondContact N-O 3.47Å; F75-C169 PolarHBondContact O-N 3.47Å; M142-C169 HydrophobicContact CG-CB 4.14Å; M142-C169 HydrophobicContact SD-CB 4.09Å; M142-C169 VanDerWaalsContact SD-SG 3.7Å; M143-C169 WeakPolarHBondContact O-CA 3.24Å
170	K	98	Very high	85.5	Confident	35 Å²	35	62.8 Å²	62.8	15%	0.152	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.1	164.2	177.9	-174.8	-179.9	177.7	0	108.6	A72 W73 Y74 M142 M143 Y172	A72-K170 HydrophobicContact CB-CD 4.41Å; A72-K170 HydrophobicContact CB-CG 4.02Å; W73-K170 CarbonylContact O-C 3.57Å; W73-K170 WeakPolarHBondContact O-CA 3.04Å; Y74-K170 HydrophobicContact CD1-CB 4.13Å; Y74-K170 HydrophobicContact CD1-CG 4.36Å; Y74-K170 HydrophobicContact CE1-CB 3.85Å; Y74-K170 HydrophobicContact CE1-CD 4Å; Y74-K170 HydrophobicContact CE1-CG 3.76Å; Y74-K170 WeakPolarHBondContact OH-CE 3.39Å; M142-K170 CarbonylContact C-O 3.6Å; M142-K170 WeakPolarHBondContact CA-O 3.46Å; M143-K170 HydrophobicContact CB-CB 4.35Å; M143-K170 PolarHBondContact N-O 3.27Å; M143-K170 PolarHBondContact O-N 2.82Å; K170-Y172 HydrophobicContact CD-CD1 4.48Å; K170-Y172 HydrophobicContact CG-CD1 4.28Å
171	V	97.8	Very high	83.7	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.6	177.7	-168.2	0	0	0	0	110	V49 L58 A72 W73 F75 W98 W140 I141 M142	V49-V171 HydrophobicContact CG1-CG2 3.82Å; L58-V171 HydrophobicContact CD1-CB 4.46Å; L58-V171 HydrophobicContact CD1-CG1 3.8Å; L58-V171 HydrophobicContact CD2-CB 4.21Å; L58-V171 HydrophobicContact CD2-CG1 4.31Å; A72-V171 WeakPolarHBondContact CA-O 3.44Å; W73-V171 PolarHBondContact N-O 3.41Å; W73-V171 PolarHBondContact O-N 3.33Å; F75-V171 HydrophobicContact CD2-CG2 3.97Å; F75-V171 HydrophobicContact CE2-CB 4.38Å; F75-V171 HydrophobicContact CE2-CG2 4.02Å; W98-V171 HydrophobicContact CH2-CG1 4.16Å; W140-V171 HydrophobicContact CE3-CG1 4.33Å; I141-V171 WeakPolarHBondContact O-CA 3.14Å; M142-V171 HydrophobicContact CG-CG2 4.22Å
172	Y	96.5	Very high	81.7	Confident	55 Å²	55	59.8 Å²	59.8	22%	0.216	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	167.8	-178.5	64.7	-76.1	0	0	0	111.6	R71 I141 K170	R71-Y172 WeakPolarHBondContact O-CB 3.43Å; I141-Y172 HydrophobicContact CB-CD1 4.28Å; I141-Y172 HydrophobicContact CB-CE1 3.86Å; I141-Y172 HydrophobicContact CB-CE2 4.13Å; I141-Y172 HydrophobicContact CG1-CE2 4.41Å; I141-Y172 HydrophobicContact CG2-CD1 4.48Å; I141-Y172 HydrophobicContact CG2-CE1 3.64Å; I141-Y172 HydrophobicContact CG2-CE2 4.34Å; I141-Y172 WeakPolarHBondContact CG2-OH 3.28Å; I141-Y172 PolarHBondContact N-O 2.84Å; I141-Y172 PolarHBondContact O-N 3.03Å; K170-Y172 HydrophobicContact CD-CD1 4.48Å; K170-Y172 HydrophobicContact CG-CD1 4.28Å
173	R	95.1	Very high	79.9	Confident	65 Å²	65	62.3 Å²	62.3	25%	0.245	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	135.7	172.3	-80.7	-66.9	-165.9	153	-3.1	110.8	T138 W140 E179	T138-R173 PolarHBondContact O-NH1 3.26Å; W140-R173 HydrophobicContact CD2-CG 4.46Å; W140-R173 VanDerWaalsContact CE2-NE 3.29Å; W140-R173 HydrophobicContact CE3-CG 3.94Å; W140-R173 HydrophobicContact CH2-CG 3.88Å; W140-R173 HydrophobicContact CZ2-CG 4.43Å; W140-R173 VanDerWaalsContact CZ2-NE 3.31Å; W140-R173 HydrophobicContact CZ3-CG 3.6Å; R173-E179 HydrophobicContact CG-CG 4.22Å; R173-E179 IonicContact CZ-OE1 2.95Å; R173-E179 IonicContact CZ-OE2 3.61Å; R173-E179 IonicContact NE-OE1 2.74Å; R173-E179 PolarHBondContact NE-OE1 2.99Å; R173-E179 IonicContact NH2-OE1 2.66Å; R173-E179 PolarHBondContact NH2-OE1 2.68Å; R173-E179 IonicContact NH2-OE2 3.09Å; R173-E179 PolarHBondContact NH2-OE2 3.17Å; R173-E179 VanDerWaalsContact NH2-OE2 3.09Å
174	S	93.9	Very high	77.7	Confident	8 Å²	8	68.9 Å²	68.9	6%	0.056	36%	0.364	C	S	.	.			trans	-59.9	129	172	-179.3	0	0	0	0	110.6	G139 R176 K177	G139-S174 WeakPolarHBondContact O-CB 3.3Å; G139-S174 PolarHBondContact O-N 3.49Å; S174-R176 PolarHBondContact O-N 2.93Å; S174-R176 VanDerWaalsContact O-N 3.11Å; S174-R176 PolarHBondContact OG-N 3.05Å; S174-K177 CarbonylContact O-C 3.5Å; S174-K177 PolarHBondContact O-N 3.4Å; S174-K177 VanDerWaalsContact O-N 3.08Å
175	P	85.9	Confident	75	Confident	102 Å²	102	73.3 Å²	73.3	66%	0.662	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.7	172.5	-24.2	33.7	0	0	0	113.4	K177	P175-K177 VanDerWaalsContact C-N 3.32Å
176	R	86.2	Confident	72.2	Confident	200 Å²	200	77.7 Å²	77.7	76%	0.755	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-18.5	178.9	-61.1	-171.5	-67.1	-93.6	3.2	113.6	S174	S174-R176 PolarHBondContact O-N 2.93Å; S174-R176 VanDerWaalsContact O-N 3.11Å; S174-R176 PolarHBondContact OG-N 3.05Å
177	K	75.3	Confident	69.4	Low	100 Å²	100	80.4 Å²	80.4	44%	0.435	47%	0.472	S	S	.	.	S	Bend	trans	-131.9	73.7	177.7	-68.3	-163.6	179.2	-164.9	0	108.8	R137 S174 P175	R137-K177 PolarHBondContact O-NZ 2.71Å; S174-K177 CarbonylContact O-C 3.5Å; S174-K177 PolarHBondContact O-N 3.4Å; S174-K177 VanDerWaalsContact O-N 3.08Å; P175-K177 VanDerWaalsContact C-N 3.32Å
178	P	64	Low	66.6	Low	102 Å²	102	85.6 Å²	85.6	66%	0.662	51%	0.514	S	S	*	.			trans	-59.8	142.4	176.1	26.2	-32.5	0	0	0	109.4
179	E	60.9	Low	63.7	Low	97 Å²	97	90.3 Å²	90.3	45%	0.453	55%	0.553	S	S	.	*			trans	-48.1	137.2	171.3	-73.1	-81.7	-173	0	0	109.6	R173 S181	R173-E179 HydrophobicContact CG-CG 4.22Å; R173-E179 IonicContact CZ-OE1 2.95Å; R173-E179 IonicContact CZ-OE2 3.61Å; R173-E179 IonicContact NE-OE1 2.74Å; R173-E179 PolarHBondContact NE-OE1 2.99Å; R173-E179 IonicContact NH2-OE1 2.66Å; R173-E179 PolarHBondContact NH2-OE1 2.68Å; R173-E179 IonicContact NH2-OE2 3.09Å; R173-E179 PolarHBondContact NH2-OE2 3.17Å; R173-E179 VanDerWaalsContact NH2-OE2 3.09Å; E179-S181 PolarHBondContact O-N 2.88Å
180	P	52.4	Low	61.2	Low	113 Å²	113	95.8 Å²	95.8	73%	0.734	59%	0.592	S	S	*	*			trans	-59.5	106	166.2	24.3	-29.4	0	0	0	107.2	G182	P180-G182 PolarHBondContact O-N 3.48Å
181	S	44.7	Very low	58.3	Low	94 Å²	94	100.9 Å²	100.9	66%	0.657	63%	0.628	S	S	*	*			trans	-53.2	104.9	178.4	171.4	0	0	0	0	109	E179 N183 K184	E179-S181 PolarHBondContact O-N 2.88Å; S181-N183 PolarHBondContact O-N 2.84Å; S181-K184 PolarHBondContact O-N 3.16Å
182	G	37	Very low	55.6	Low	73 Å²	73	104.4 Å²	104.4	75%	0.753	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	17	-176.9	0	0	0	0	0	115.8	P180	P180-G182 PolarHBondContact O-N 3.48Å
183	N	38.9	Very low	52.9	Low	148 Å²	148	110 Å²	110	79%	0.791	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.9	21.2	-179.3	-71.4	21.1	0	0	0	113.8	S181	S181-N183 PolarHBondContact O-N 2.84Å
184	K	34.8	Very low	50.2	Low	197 Å²	197	116.5 Å²	116.5	86%	0.857	72%	0.723	S	S	*	*			trans	-114.8	67.6	158.5	-68.8	-165	-178.1	-175.9	0	111	S181	S181-K184 PolarHBondContact O-N 3.16Å
185	A	32.3	Very low	48	Very low	94 Å²	94	122 Å²	122	78%	0.777	75%	0.75	S	S	*	*			trans	-65.4	139.2	150.6	0	0	0	0	0	109.2
186	A	33.2	Very low	45.7	Very low	103 Å²	103	125.9 Å²	125.9	85%	0.851	76%	0.759	S	S	*	*	S	Bend	trans	64.9	74.6	158.2	0	0	0	0	0	118.5
187	A	37.5	Very low	43.5	Very low	103 Å²	103	120.5 Å²	120.5	85%	0.851	76%	0.758	S	S	*	*			trans	-167.3	68.6	148.6	0	0	0	0	0	112.2
188	A	37.8	Very low	42	Very low	108 Å²	108	123.4 Å²	123.4	89%	0.893	78%	0.778	S	S	*	*			trans	-171.9	61.9	155.4	0	0	0	0	0	110
189	A	37.1	Very low	41.2	Very low	99 Å²	99	126.4 Å²	126.4	82%	0.818	79%	0.788	S	S	*	*			trans	-103	99	158.4	0	0	0	0	0	107
190	S	45.3	Very low	40.8	Very low	116 Å²	116	129.5 Å²	129.5	81%	0.811	81%	0.808	S	S	*	*			trans	-152	117.7	159.7	-80.5	0	0	0	0	107.8
191	P	37.8	Very low	40.3	Very low	141 Å²	141	132.5 Å²	132.5	92%	0.916	81%	0.812	S	S	*	*			trans	-85.9	136.5	-178.7	15.9	-2.3	0	0	0	111.2
192	G	40.2	Very low	40.4	Very low	74 Å²	74	132.8 Å²	132.8	76%	0.763	81%	0.814	S	S	*	*			trans	123.9	93.5	153.8	0	0	0	0	0	115.7
193	H	41	Very low	40.9	Very low	172 Å²	172	136.7 Å²	136.7	80%	0.796	82%	0.818	S	S	*	*				-160.7	132.5	129.4	-143.9	51	0	0	0	110.3
194	K	37.5	Very low	41	Very low	203 Å²	203	135.9 Å²	135.9	88%	0.883	81%	0.813	S	S	*	*			trans	-85	118.2	170.1	-70.4	176.5	173.6	-177.1	0	107.7
195	I	48.9	Very low	41.5	Very low	124 Å²	124	130.1 Å²	130.1	64%	0.636	80%	0.803	S	S	*	*			trans	-148.7	98	159.3	-60.2	-174.8	0	0	0	104.1
196	E	38.1	Very low	42	Very low	183 Å²	183	130.4 Å²	130.4	86%	0.855	80%	0.795	S	S	*	*				73.7	131.9	104.8	-65.2	-171.8	145.7	0	0	112.9
197	A	38.5	Very low	42.8	Very low	87 Å²	87	129.1 Å²	129.1	72%	0.719	77%	0.774	S	S	*	*			trans	-72.6	128.7	-169.9	0	0	0	0	0	110.6
198	D	43.7	Very low	43	Very low	161 Å²	161	129.4 Å²	129.4	86%	0.861	76%	0.761	S	S	*	*			trans	-116.8	116.6	155.7	-77.5	-47.9	0	0	0	106.8	D200	D198-D200 PolarHBondContact O-N 2.87Å
199	D	48.3	Very low	43.5	Very low	164 Å²	164	131.7 Å²	131.7	88%	0.877	75%	0.753	S	S	*	*			trans	-65.7	106.1	173.9	-65.2	-59	0	0	0	108.9
200	D	51.5	Low	43.7	Very low	163 Å²	163	131.9 Å²	131.9	87%	0.872	74%	0.74	S	S	*	*			trans	-104.6	114.7	168.9	-125.6	-40.3	0	0	0	109.4	D198 S202	D198-D200 PolarHBondContact O-N 2.87Å; D200-S202 PolarHBondContact O-N 3.27Å
201	E	43.3	Very low	43.7	Very low	175 Å²	175	129.7 Å²	129.7	82%	0.818	72%	0.719	S	S	*	*			trans	-58.5	120.2	-166.4	-161.5	160.6	108.3	0	0	111.8	N203	E201-N203 PolarHBondContact O-N 3.37Å; E201-N203 VanDerWaalsContact O-N 3.12Å
202	S	46.6	Very low	44	Very low	101 Å²	101	129.2 Å²	129.2	71%	0.706	71%	0.709	S	S	*	*			trans	-62.6	108.5	171.2	53	0	0	0	0	110.2	D200 D204	D200-S202 PolarHBondContact O-N 3.27Å; S202-D204 PolarHBondContact O-N 2.98Å
203	N	46	Very low	44.4	Very low	154 Å²	154	132.8 Å²	132.8	82%	0.824	71%	0.711	S	S	*	*			trans	-74.1	84.7	154.9	-81.6	-28	0	0	0	108.1	E201 A205	E201-N203 PolarHBondContact O-N 3.37Å; E201-N203 VanDerWaalsContact O-N 3.12Å; N203-A205 VanDerWaalsContact C-N 3.26Å; N203-A205 PolarHBondContact O-N 2.76Å
204	D	41.6	Very low	44.4	Very low	131 Å²	131	132.3 Å²	132.3	70%	0.701	71%	0.709	S	S	*	*			trans	-62.5	87.4	163.5	-178.3	31.8	0	0	0	108.5	S202 T206	S202-D204 PolarHBondContact O-N 2.98Å; D204-T206 PolarHBondContact O-N 2.7Å
205	A	45.6	Very low	44.9	Very low	76 Å²	76	127.1 Å²	127.1	63%	0.628	70%	0.698	S	S	*	*			trans	-77.4	100.1	162.5	0	0	0	0	0	106.1	N203 L207	N203-A205 VanDerWaalsContact C-N 3.26Å; N203-A205 PolarHBondContact O-N 2.76Å; A205-L207 VanDerWaalsContact C-N 3.31Å; A205-L207 PolarHBondContact O-N 2.63Å
206	T	42.1	Very low	44.3	Very low	101 Å²	101	127.9 Å²	127.9	62%	0.62	70%	0.704	S	S	*	*			trans	-49.3	99.4	164.9	50	0	0	0	0	108.1	D204 D208	D204-T206 PolarHBondContact O-N 2.7Å; T206-D208 PolarHBondContact O-N 3.33Å
207	L	51.2	Low	44.5	Very low	76 Å²	76	125.8 Å²	125.8	40%	0.398	70%	0.698	S	S	.	*			trans	-77	74.5	166.5	-67.9	171.1	0	0	0	105.5	L135 A205 E209	L135-L207 HydrophobicContact CB-CD1 3.37Å; L135-L207 HydrophobicContact CD1-CB 4.03Å; L135-L207 HydrophobicContact CD1-CD1 3.76Å; L135-L207 HydrophobicContact CD1-CG 4.49Å; L135-L207 HydrophobicContact CG-CD1 4.21Å; A205-L207 VanDerWaalsContact C-N 3.31Å; A205-L207 PolarHBondContact O-N 2.63Å; L207-E209 PolarHBondContact O-N 2.84Å
208	D	41.8	Very low	44.6	Very low	109 Å²	109	125.9 Å²	125.9	58%	0.583	70%	0.699	S	S	*	*			trans	-57.2	124.1	169.7	-104.9	-49.7	0	0	0	107.2	T206 N210	T206-D208 PolarHBondContact O-N 3.33Å; D208-N210 HydrophobicContact CB-CB 4.5Å; D208-N210 PolarHBondContact O-N 2.58Å
209	E	48	Very low	44.6	Very low	155 Å²	155	123.4 Å²	123.4	72%	0.724	69%	0.69	S	S	*	*	S	Bend	trans	-70.9	27.9	173.1	-66.9	-175.1	137.7	0	0	111.8	R129 L207	R129-E209 IonicContact NH2-OE1 3.33Å; R129-E209 PolarHBondContact NH2-OE1 3.26Å; L207-E209 PolarHBondContact O-N 2.84Å
210	N	41.7	Very low	44.5	Very low	104 Å²	104	123.3 Å²	123.3	56%	0.556	69%	0.689	S	S	*	*			trans	-120.1	80.1	178.6	-63	-27.9	0	0	0	108.7	D208 D212	D208-N210 HydrophobicContact CB-CB 4.5Å; D208-N210 PolarHBondContact O-N 2.58Å; N210-D212 PolarHBondContact O-N 3.32Å
211	D	44.5	Very low	44.3	Very low	70 Å²	70	122.6 Å²	122.6	37%	0.374	68%	0.684	S	S	.	*			trans	-67.1	72.7	155.3	-78.2	-50.6	0	0	0	107.9	R88 H99 D213	R88-D211 IonicContact CZ-OD2 2.76Å; R88-D211 IonicContact NH2-OD2 3.84Å; R88-D211 PolarHBondContact NH2-OD2 3.41Å; H99-D211 IonicContact NE2-OD1 3.44Å; D211-D213 PolarHBondContact O-N 3.32Å
212	D	44.9	Very low	44.8	Very low	130 Å²	130	123.2 Å²	123.2	70%	0.695	69%	0.688	S	S	*	*			trans	-83	84.1	166.4	-72	-40.9	0	0	0	107.8	N210 E214	N210-D212 PolarHBondContact O-N 3.32Å; D212-E214 PolarHBondContact O-N 2.99Å
213	D	48.9	Very low	44.9	Very low	150 Å²	150	126.2 Å²	126.2	80%	0.802	70%	0.696	S	S	*	*			trans	-71.5	82.2	163.1	-107.4	-47.4	0	0	0	107.8	D211 S215	D211-D213 PolarHBondContact O-N 3.32Å; D213-S215 VanDerWaalsContact C-N 3.31Å; D213-S215 PolarHBondContact O-N 2.99Å
214	E	39.2	Very low	45.1	Very low	162 Å²	162	126.7 Å²	126.7	76%	0.757	70%	0.698	S	S	*	*			trans	-74.8	84.5	168.9	-162.4	171.1	129	0	0	108.8	D212	D212-E214 PolarHBondContact O-N 2.99Å
215	S	48.9	Very low	45.6	Very low	94 Å²	94	127.1 Å²	127.1	66%	0.657	70%	0.701	S	S	*	*			trans	-90.2	93.9	159.9	68.3	0	0	0	0	108.4	D213 D217	D213-S215 VanDerWaalsContact C-N 3.31Å; D213-S215 PolarHBondContact O-N 2.99Å; S215-D217 PolarHBondContact O-N 2.93Å
216	N	35.7	Very low	45.6	Very low	140 Å²	140	127 Å²	127	75%	0.749	71%	0.707	S	S	*	*			trans	-67.6	98.5	160.7	38.7	4.8	0	0	0	109.8
217	D	43.6	Very low	46.1	Very low	139 Å²	139	126.8 Å²	126.8	74%	0.743	71%	0.709	S	S	*	*			trans	-111.7	115.6	156.6	-173.7	27.2	0	0	0	108.1	S215 T219	S215-D217 PolarHBondContact O-N 2.93Å; D217-T219 PolarHBondContact O-N 2.83Å
218	A	39.8	Very low	46	Very low	89 Å²	89	130.9 Å²	130.9	74%	0.736	73%	0.731	S	S	*	*			trans	-90.1	90.9	-175.9	0	0	0	0	0	108.7	L220	A218-L220 PolarHBondContact O-N 2.84Å
219	T	43.3	Very low	46.1	Very low	109 Å²	109	130.3 Å²	130.3	67%	0.669	74%	0.742	S	S	*	*			trans	-81.2	100.8	158.5	53.4	0	0	0	0	107.9	D217 D221	D217-T219 PolarHBondContact O-N 2.83Å; T219-D221 PolarHBondContact O-N 2.84Å
220	L	46.6	Very low	46.1	Very low	162 Å²	162	127.4 Å²	127.4	85%	0.848	74%	0.744	S	S	*	*			trans	-75.5	95.9	164.2	-70.5	170.8	0	0	0	107.7	A218	A218-L220 PolarHBondContact O-N 2.84Å
221	D	47.5	Very low	46.4	Very low	147 Å²	147	127.9 Å²	127.9	79%	0.786	75%	0.753	S	S	*	*			trans	-85.6	106	159.3	-83.5	-44	0	0	0	107.9	T219	T219-D221 PolarHBondContact O-N 2.84Å
222	E	54.4	Low	46.6	Very low	189 Å²	189	130 Å²	130	88%	0.883	77%	0.771	S	S	*	*			trans	-79.1	119.2	166.3	-69.5	-172.9	124.3	0	0	108.7
223	N	47.9	Very low	46.5	Very low	164 Å²	164	128.5 Å²	128.5	88%	0.877	78%	0.777	S	S	*	*			trans	-65.4	129.5	168.1	-61.9	-66.7	0	0	0	109.4
224	D	50.2	Low	46.3	Very low	163 Å²	163	125.6 Å²	125.6	87%	0.872	77%	0.773	S	S	*	*			trans	-134.1	141.8	152.6	-165.7	32.1	0	0	0	111.1
225	D	51.4	Low	46.7	Very low	141 Å²	141	123.9 Å²	123.9	75%	0.754	78%	0.779	S	S	*	*			trans	-81.1	148.6	-156.7	-158.5	-11.6	0	0	0	112.3
226	G	45.3	Very low	46.4	Very low	74 Å²	74	122.6 Å²	122.6	76%	0.763	78%	0.781	S	S	*	*			trans	-175.6	65.5	-173.2	0	0	0	0	0	114.1
227	S	53.3	Low	46.9	Very low	96 Å²	96	127.6 Å²	127.6	67%	0.671	79%	0.789	S	S	*	*			trans	-55.2	132.2	179	-25.1	0	0	0	0	113.6
228	N	49.5	Very low	46.9	Very low	161 Å²	161	130.2 Å²	130.2	86%	0.861	79%	0.794	S	S	*	*				-174.3	124.4	121.3	-101.6	-27.6	0	0	0	114.8
229	A	44.2	Very low	47.4	Very low	97 Å²	97	137.1 Å²	137.1	80%	0.802	80%	0.801	S	S	*	*			trans	49.1	116.3	139.2	0	0	0	0	0	120.7
230	A	46.7	Very low	47.5	Very low	94 Å²	94	141 Å²	141	78%	0.777	81%	0.809	S	S	*	*			trans	-87.1	-166.9	173.9	0	0	0	0	0	112.2
231	P	49.2	Very low	47.9	Very low	115 Å²	115	137.2 Å²	137.2	75%	0.747	80%	0.796	S	S	*	*				-132.6	-132.9	-109.5	40.3	-16.3	0	0	0	109.8
232	P	48.8	Very low	48.4	Very low	114 Å²	114	136.4 Å²	136.4	74%	0.74	79%	0.792	S	S	*	*			cis	-129.7	-176.5	-37.9	34.5	-15.8	0	0	0	113.6
233	A	42.3	Very low	48.3	Very low	99 Å²	99	134.1 Å²	134.1	82%	0.818	79%	0.785	S	S	*	*			trans	102.3	141	143.4	0	0	0	0	0	121.8
234	A	45.4	Very low	48.6	Very low	88 Å²	88	133.2 Å²	133.2	73%	0.727	79%	0.785	S	S	*	*			trans	98.2	102.9	151.5	0	0	0	0	0	120.5
235	S	46.8	Very low	48.5	Very low	126 Å²	126	133.9 Å²	133.9	88%	0.881	78%	0.784	S	S	*	*				66.6	127.1	129.5	78.4	0	0	0	0	121.5
236	G	43.2	Very low	48.1	Very low	68 Å²	68	132.9 Å²	132.9	70%	0.701	78%	0.784	S	S	*	*				127.7	105.9	125.8	0	0	0	0	0	118.8
237	R	46.5	Very low	48.8	Very low	244 Å²	244	135.2 Å²	135.2	92%	0.921	79%	0.789	S	S	*	*			trans	74.6	109.5	134.1	-63.2	-178.8	174.4	-157.7	-1	121.1
238	K	42.1	Very low	48.3	Very low	194 Å²	194	139.9 Å²	139.9	84%	0.843	80%	0.8	S	S	*	*				49.4	120.6	113.8	-105.3	-179.3	179.8	178.2	0	120
239	R	51.1	Low	48.2	Very low	235 Å²	235	136.7 Å²	136.7	89%	0.887	80%	0.796	S	S	*	*				156.1	118.5	122.3	-84.1	167.1	-172.1	-151.4	3.2	108.9
240	K	45.3	Very low	48.4	Very low	190 Å²	190	142.1 Å²	142.1	83%	0.826	80%	0.802	S	S	*	*				77.9	101.8	83.5	-167.3	153.5	178.6	163.4	0	111.3
241	S	55.1	Low	47.9	Very low	83 Å²	83	142.4 Å²	142.4	58%	0.58	80%	0.804	S	S	*	*				118	155.2	108.8	62.5	0	0	0	0	107.7
242	D	57	Low	48.3	Very low	130 Å²	130	141.8 Å²	141.8	70%	0.695	80%	0.802	S	S	*	*			cis	-155.7	158.9	31.7	-73.3	-75.3	0	0	0	110.2
243	D	53.8	Low	48.1	Very low	140 Å²	140	143.4 Å²	143.4	75%	0.749	81%	0.805	S	S	*	*			trans	21	137.9	146.2	-58.7	-82.6	0	0	0	123.4
244	V	52.6	Low	48.3	Very low	145 Å²	145	144 Å²	144	88%	0.879	80%	0.798	S	S	*	*				177.2	134.9	103	160.4	0	0	0	0	111.9
245	E	49.1	Very low	48.4	Very low	178 Å²	178	147.3 Å²	147.3	83%	0.832	80%	0.802	S	S	*	*			trans	-73.9	161.9	-171.8	-174.8	176.8	110.1	0	0	115.9
246	P	43.7	Very low	48.4	Very low	119 Å²	119	145.8 Å²	145.8	77%	0.773	80%	0.797	S	S	*	*			trans	-99	165.3	-173.2	36.3	-26.4	0	0	0	113.9
247	S	58.7	Low	48.3	Very low	123 Å²	123	146.6 Å²	146.6	86%	0.86	81%	0.805	S	S	*	*			trans	-131.9	128.9	170.2	55.4	0	0	0	0	112.7
248	E	43.3	Very low	48	Very low	195 Å²	195	138.9 Å²	138.9	91%	0.911	80%	0.802	S	S	*	*			trans	-76.5	150.1	168.2	-65.6	173.3	88.1	0	0	111.5
249	A	47.2	Very low	48.2	Very low	93 Å²	93	134.4 Å²	134.4	77%	0.769	80%	0.801	S	S	*	*			trans	-170.1	106.7	139	0	0	0	0	0	113.4
250	K	48.2	Very low	48	Very low	211 Å²	211	128 Å²	128	92%	0.917	80%	0.798	S	S	*	*				51.1	127.7	127.1	-65.4	-172.9	-178.1	179.9	0	122.6
251	A	36.6	Very low	48.1	Very low	101 Å²	101	124 Å²	124	84%	0.835	80%	0.8	S	S	*	*			trans	-86.4	151.6	158.8	0	0	0	0	0	113
252	S	56.4	Low	47.7	Very low	101 Å²	101	124.4 Å²	124.4	71%	0.706	81%	0.809	S	S	*	*			trans	179.5	112.9	150.2	58.7	0	0	0	0	107
253	D	45.7	Very low	47.5	Very low	149 Å²	149	124.5 Å²	124.5	80%	0.797	82%	0.817	S	S	*	*				108.6	127.1	83.9	-91.9	-36.5	0	0	0	112.9
254	V	46.4	Very low	47.7	Very low	112 Å²	112	122.2 Å²	122.2	68%	0.679	82%	0.817	S	S	*	*				85.5	108.3	126	170.7	0	0	0	0	121.5
255	I	47.3	Very low	47.6	Very low	156 Å²	156	121 Å²	121	80%	0.8	81%	0.812	S	S	*	*				83.7	130.2	125.4	-64.5	-177	0	0	0	123.1
256	A	46.2	Very low	47.8	Very low	95 Å²	95	122.1 Å²	122.1	79%	0.785	81%	0.814	S	S	*	*			trans	107.6	128.2	136.5	0	0	0	0	0	122.5
257	G	41	Very low	48.1	Very low	84 Å²	84	126.1 Å²	126.1	87%	0.866	82%	0.82	S	S	*	*			trans	88.9	126.1	143.4	0	0	0	0	0	115.5
258	G	41.7	Very low	47.3	Very low	82 Å²	82	129.8 Å²	129.8	85%	0.845	82%	0.82	S	S	*	*			cis	115.7	109.6	20.7	0	0	0	0	0	110
259	A	46.5	Very low	47.8	Very low	100 Å²	100	126.1 Å²	126.1	83%	0.826	82%	0.816	S	S	*	*			trans	160.3	108.9	155.5	0	0	0	0	0	109.3
260	A	47.1	Very low	47.5	Very low	101 Å²	101	129.5 Å²	129.5	84%	0.835	82%	0.821	S	S	*	*				84.3	112.1	79	0	0	0	0	0	114.1
261	A	46.1	Very low	47.1	Very low	105 Å²	105	123 Å²	123	87%	0.868	81%	0.814	S	S	*	*				167.6	119.7	124.6	0	0	0	0	0	111.7
262	A	47	Very low	47.4	Very low	92 Å²	92	123.8 Å²	123.8	76%	0.76	81%	0.813	S	S	*	*			trans	-84.7	170.9	165.6	0	0	0	0	0	110.9
263	P	52.9	Low	46.6	Very low	133 Å²	133	124 Å²	124	86%	0.864	82%	0.815	S	S	*	*				-145.8	159.4	99.5	33.8	-15.5	0	0	0	115.9
264	A	57.2	Low	46.8	Very low	92 Å²	92	122 Å²	122	76%	0.76	81%	0.813	S	S	*	*			trans	-104.6	-156.3	-174.3	0	0	0	0	0	112.1
265	P	50.6	Low	46.9	Very low	118 Å²	118	122.9 Å²	122.9	77%	0.766	82%	0.821	S	S	*	*				-130.4	176.1	-86.1	38.6	-21.7	0	0	0	113
266	K	54.9	Low	46.9	Very low	202 Å²	202	121.7 Å²	121.7	88%	0.878	82%	0.82	S	S	*	*			trans	-144	121.2	160.5	-75.7	-169.4	-179.7	171.1	0	115.2
267	K	49.9	Very low	47.1	Very low	204 Å²	204	121.8 Å²	121.8	89%	0.887	82%	0.821	S	S	*	*			trans	68.6	117.8	137.1	-72.8	-173.8	173.1	-175.5	0	123.2
268	K	41.5	Very low	48	Very low	199 Å²	199	124 Å²	124	87%	0.865	82%	0.818	S	S	*	*			trans	-46.4	151.2	160.2	-67.2	171.2	167.6	-176.3	0	116.9
269	S	53.1	Low	49.4	Very low	119 Å²	119	122 Å²	122	83%	0.832	79%	0.791	S	S	*	*			trans	-158.8	130.6	132.2	55	0	0	0	0	110.7
270	D	40.7	Very low	50.7	Low	163 Å²	163	121.9 Å²	121.9	87%	0.872	78%	0.782	S	S	*	*			trans	-73	151.4	179.1	-59.2	-60.4	0	0	0	112.7
271	G	40.5	Very low	52.1	Low	74 Å²	74	120.7 Å²	120.7	76%	0.763	76%	0.764	S	S	*	*			trans	-177.2	92.6	172.9	0	0	0	0	0	115
272	S	43.1	Very low	53.6	Low	118 Å²	118	119.6 Å²	119.6	83%	0.825	75%	0.747	S	S	*	*			trans	49	123.6	144.9	-162.2	0	0	0	0	121.5
273	S	39.8	Very low	55.3	Low	106 Å²	106	121 Å²	121	74%	0.741	74%	0.738	S	S	*	*			trans	-47.9	144.3	172.3	52.6	0	0	0	0	117.4
274	S	48.8	Very low	56.5	Low	107 Å²	107	119.4 Å²	119.4	75%	0.748	72%	0.72	S	S	*	*			trans	-126.8	141.4	148.5	-72.6	0	0	0	0	108.5	V276	S274-V276 PolarHBondContact O-N 2.98Å
275	P	49.3	Very low	57.7	Low	130 Å²	130	119.5 Å²	119.5	84%	0.844	71%	0.705	S	S	*	*			trans	-70.2	121.9	-178.1	28.2	-32.4	0	0	0	110.3	A277	P275-A277 PolarHBondContact O-N 3.5Å
276	V	46.2	Very low	58.4	Low	131 Å²	131	116.2 Å²	116.2	79%	0.794	68%	0.684	S	S	*	*			trans	-72.6	120.4	168.8	174.3	0	0	0	0	107.5	S274 T278	S274-V276 PolarHBondContact O-N 2.98Å; V276-T278 PolarHBondContact O-N 3.32Å; V276-T278 VanDerWaalsContact O-N 3.13Å
277	A	51.1	Low	59	Low	97 Å²	97	113.1 Å²	113.1	80%	0.802	69%	0.685	S	S	*	*			trans	-65	109.4	172.9	0	0	0	0	0	109.2	P275	P275-A277 PolarHBondContact O-N 3.5Å
278	T	59.4	Low	59.2	Low	132 Å²	132	107 Å²	107	81%	0.81	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-75.7	120.3	171	26.4	0	0	0	0	109.4	V276	V276-T278 PolarHBondContact O-N 3.32Å; V276-T278 VanDerWaalsContact O-N 3.13Å
279	S	70.9	Confident	61.2	Low	38 Å²	38	102 Å²	102	27%	0.266	67%	0.669	S	S	.	*	P	Polyproline II helix	trans	-55.9	136.5	169.9	-67.2	0	0	0	0	110	T281 M297 N298	S279-T281 PolarHBondContact O-N 3.47Å; S279-T281 VanDerWaalsContact O-N 3.15Å; S279-M297 WeakPolarHBondContact CB-O 3.31Å; S279-N298 WeakPolarHBondContact CB-OD1 3.26Å; S279-N298 PolarHBondContact OG-OD1 3.11Å
280	P	74.4	Confident	62.2	Low	98 Å²	98	98.1 Å²	98.1	64%	0.636	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-62.7	119.5	177.5	24.5	-32	0	0	0	109.9	M297	P280-M297 HydrophobicContact CG-CB 4.49Å; P280-M297 PolarHBondContact O-N 2.82Å
281	T	77.2	Confident	64	Low	76 Å²	76	96.7 Å²	96.7	47%	0.466	64%	0.635	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.7	124.1	170.6	-54	0	0	0	0	108.4	S279 L294 V295 T296	S279-T281 PolarHBondContact O-N 3.47Å; S279-T281 VanDerWaalsContact O-N 3.15Å; T281-L294 HydrophobicContact CG2-CB 3.9Å; T281-L294 HydrophobicContact CG2-CD2 3.71Å; T281-L294 HydrophobicContact CG2-CG 4.33Å; T281-V295 CarbonylContact C-O 3.53Å; T281-V295 WeakPolarHBondContact CA-O 3.32Å; T281-T296 PolarHBondContact OG1-OG1 2.86Å
282	T	77.5	Confident	66.1	Low	82 Å²	82	98.1 Å²	98.1	50%	0.503	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.8	137.9	173.4	-144.6	0	0	0	0	109.6	M284 V295	T282-M284 HydrophobicContact CG2-CG 3.79Å; T282-M284 HydrophobicContact CG2-SD 4.46Å; T282-V295 PolarHBondContact N-O 3.18Å; T282-V295 PolarHBondContact O-N 3.01Å
283	E	81.7	Confident	67.8	Low	121 Å²	121	95 Å²	95	57%	0.565	60%	0.598	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.1	127.9	172.7	-159.3	-179.8	132.8	0	0	108.8	H292 L294	E283-H292 HydrophobicContact CG-CB 4.37Å; E283-H292 IonicContact OE1-CE1 3.65Å; E283-H292 PolarHBondContact OE1-CE1 2.92Å; E283-H292 IonicContact OE1-CG 2.61Å; E283-H292 IonicContact OE1-ND1 3.83Å; E283-H292 PolarHBondContact OE1-ND1 3.2Å; E283-L294 HydrophobicContact CB-CD2 3.96Å; E283-L294 HydrophobicContact CG-CD2 4.07Å
284	M	79.5	Confident	69.8	Low	101 Å²	101	95.1 Å²	95.1	50%	0.498	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.8	129.5	176.7	-68.9	-158.8	-75.4	0	0	110.4	T282 V293 V295	T282-M284 HydrophobicContact CG2-CG 3.79Å; T282-M284 HydrophobicContact CG2-SD 4.46Å; M284-V293 PolarHBondContact N-O 2.91Å; M284-V293 PolarHBondContact O-N 3.17Å; M284-V295 HydrophobicContact CE-CB 3.96Å; M284-V295 HydrophobicContact CE-CG1 4.33Å; M284-V295 HydrophobicContact CE-CG2 3.37Å
285	Q	80.9	Confident	71.2	Confident	93 Å²	93	91.6 Å²	91.6	44%	0.435	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.2	123.8	177.7	-179.7	66.3	-28.7	0	0	110.3	P287 G290 H291 H292	Q285-P287 WeakPolarHBondContact O-CD 3.43Å; Q285-G290 VanDerWaalsContact CD-C 3.48Å; Q285-G290 VanDerWaalsContact CD-O 3.32Å; Q285-G290 PolarHBondContact NE2-O 3.44Å; Q285-G290 VanDerWaalsContact OE1-C 3.28Å; Q285-G290 PolarHBondContact OE1-O 3.03Å; Q285-G290 VanDerWaalsContact OE1-O 3.08Å; Q285-H291 PolarHBondContact OE1-O 3.41Å; Q285-H291 VanDerWaalsContact OE1-O 3.1Å; Q285-H292 PolarHBondContact NE2-CD2 3.37Å; Q285-H292 PolarHBondContact NE2-NE2 3.38Å; Q285-H292 VanDerWaalsContact NE2-NE2 3.16Å; Q285-H292 PolarHBondContact OE1-CD2 2.93Å; Q285-H292 PolarHBondContact OE1-NE2 2.78Å; Q285-H292 VanDerWaalsContact OE1-NE2 3.11Å
286	C	65.6	Low	72.5	Confident	50 Å²	50	88.8 Å²	88.8	34%	0.338	54%	0.544	S	S	.	.			trans	-67.7	120.3	176.2	178.8	0	0	0	0	110.3	G288 C289 G290 H291	C286-G288 PolarHBondContact O-N 3.38Å; C286-G288 VanDerWaalsContact O-N 3.12Å; C286-C289 PolarHBondContact SG-SG 2.61Å; C286-G290 WeakPolarHBondContact O-CA 3.4Å; C286-G290 PolarHBondContact O-N 3.25Å; C286-H291 WeakPolarHBondContact CB-O 3.45Å; C286-H291 PolarHBondContact N-O 2.78Å
287	P	66.9	Low	73.8	Confident	137 Å²	137	88.8 Å²	88.8	89%	0.89	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-14.5	-175.2	24.9	-32.7	0	0	0	114.1	Q285	Q285-P287 WeakPolarHBondContact O-CD 3.43Å
288	G	54.7	Low	74.7	Confident	76 Å²	76	90.3 Å²	90.3	78%	0.784	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-44.3	-179.6	0	0	0	0	0	114.6	C286	C286-G288 PolarHBondContact O-N 3.38Å; C286-G288 VanDerWaalsContact O-N 3.12Å
289	C	83.7	Confident	74.6	Confident	93 Å²	93	94.9 Å²	94.9	63%	0.628	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	-8.3	-173.4	60.6	0	0	0	0	114.6	C286 H291	C286-C289 PolarHBondContact SG-SG 2.61Å; C289-H291 VanDerWaalsContact C-N 3.26Å; C289-H291 PolarHBondContact O-N 3.14Å
290	G	74.9	Confident	74	Confident	38 Å²	38	97.3 Å²	97.3	39%	0.392	56%	0.556	S	S	.	*			trans	70.8	17.2	-177.8	0	0	0	0	0	114.8	Q285 C286	Q285-G290 VanDerWaalsContact CD-C 3.48Å; Q285-G290 VanDerWaalsContact CD-O 3.32Å; Q285-G290 PolarHBondContact NE2-O 3.44Å; Q285-G290 VanDerWaalsContact OE1-C 3.28Å; Q285-G290 PolarHBondContact OE1-O 3.03Å; Q285-G290 VanDerWaalsContact OE1-O 3.08Å; C286-G290 WeakPolarHBondContact O-CA 3.4Å; C286-G290 PolarHBondContact O-N 3.25Å
291	H	78.8	Confident	73.2	Confident	132 Å²	132	101.2 Å²	101.2	61%	0.611	57%	0.566	S	S	*	*			trans	-81.4	131.8	174.1	-130.6	96.7	0	0	0	110.5	Q285 C286 C289	Q285-H291 PolarHBondContact OE1-O 3.41Å; Q285-H291 VanDerWaalsContact OE1-O 3.1Å; C286-H291 WeakPolarHBondContact CB-O 3.45Å; C286-H291 PolarHBondContact N-O 2.78Å; C289-H291 VanDerWaalsContact C-N 3.26Å; C289-H291 PolarHBondContact O-N 3.14Å
292	H	84.4	Confident	72	Confident	105 Å²	105	103.3 Å²	103.3	49%	0.486	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.3	134.7	176.3	-70.1	-115.6	0	0	0	109.6	E283 Q285	E283-H292 HydrophobicContact CG-CB 4.37Å; E283-H292 IonicContact OE1-CE1 3.65Å; E283-H292 PolarHBondContact OE1-CE1 2.92Å; E283-H292 IonicContact OE1-CG 2.61Å; E283-H292 IonicContact OE1-ND1 3.83Å; E283-H292 PolarHBondContact OE1-ND1 3.2Å; Q285-H292 PolarHBondContact NE2-CD2 3.37Å; Q285-H292 PolarHBondContact NE2-NE2 3.38Å; Q285-H292 VanDerWaalsContact NE2-NE2 3.16Å; Q285-H292 PolarHBondContact OE1-CD2 2.93Å; Q285-H292 PolarHBondContact OE1-NE2 2.78Å; Q285-H292 VanDerWaalsContact OE1-NE2 3.11Å
293	V	78.6	Confident	70.8	Confident	52 Å²	52	105.8 Å²	105.8	32%	0.315	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.4	127.7	177.3	-178.6	0	0	0	0	109.2	M284 V295 M325	M284-V293 PolarHBondContact N-O 2.91Å; M284-V293 PolarHBondContact O-N 3.17Å; V293-V295 HydrophobicContact CG1-CG2 4.07Å; V293-M325 HydrophobicContact CG1-CE 3.35Å; V293-M325 HydrophobicContact CG1-SD 4.03Å
294	L	81.3	Confident	69.4	Low	109 Å²	109	102.9 Å²	102.9	57%	0.571	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.1	116.8	171.5	-73.7	165.6	0	0	0	109.6	T281 E283	T281-L294 HydrophobicContact CG2-CB 3.9Å; T281-L294 HydrophobicContact CG2-CD2 3.71Å; T281-L294 HydrophobicContact CG2-CG 4.33Å; E283-L294 HydrophobicContact CB-CD2 3.96Å; E283-L294 HydrophobicContact CG-CD2 4.07Å
295	V	78.4	Confident	68	Low	32 Å²	32	106.6 Å²	106.6	19%	0.194	59%	0.594	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.3	115.2	177.9	179.2	0	0	0	0	109.2	T281 T282 M284 V293	T281-V295 CarbonylContact C-O 3.53Å; T281-V295 WeakPolarHBondContact CA-O 3.32Å; T282-V295 PolarHBondContact N-O 3.18Å; T282-V295 PolarHBondContact O-N 3.01Å; M284-V295 HydrophobicContact CE-CB 3.96Å; M284-V295 HydrophobicContact CE-CG1 4.33Å; M284-V295 HydrophobicContact CE-CG2 3.37Å; V293-V295 HydrophobicContact CG1-CG2 4.07Å
296	T	77.2	Confident	66.7	Low	71 Å²	71	108 Å²	108	44%	0.436	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.8	116.9	175.2	-55	0	0	0	0	109.2	T281 N298	T281-T296 PolarHBondContact OG1-OG1 2.86Å; T296-N298 PolarHBondContact O-N 2.7Å
297	M	71.8	Confident	66.1	Low	132 Å²	132	111.5 Å²	111.5	65%	0.65	62%	0.621	S	S	*	*			trans	-89.3	105.3	176.3	-68.9	-154.9	166.5	0	0	110.1	S279 P280 R299	S279-M297 WeakPolarHBondContact CB-O 3.31Å; P280-M297 HydrophobicContact CG-CB 4.49Å; P280-M297 PolarHBondContact O-N 2.82Å; M297-R299 PolarHBondContact O-N 2.91Å
298	N	70.7	Confident	65.3	Low	128 Å²	128	109 Å²	109	68%	0.684	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-73.7	120.8	169.1	-72.6	-27.2	0	0	0	109.2	S279 T296 A300	S279-N298 WeakPolarHBondContact CB-OD1 3.26Å; S279-N298 PolarHBondContact OG-OD1 3.11Å; T296-N298 PolarHBondContact O-N 2.7Å; N298-A300 PolarHBondContact O-N 3.33Å
299	R	57.3	Low	65.1	Low	229 Å²	229	109.2 Å²	109.2	86%	0.864	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-65.9	116.2	170.3	-174.4	173.1	-175.9	156.5	0.5	107.6	M297 E301	M297-R299 PolarHBondContact O-N 2.91Å; R299-E301 PolarHBondContact O-N 2.79Å
300	A	59.6	Low	63.7	Low	89 Å²	89	113.9 Å²	113.9	74%	0.736	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-55.8	124.4	170.3	0	0	0	0	0	108.8	N298	N298-A300 PolarHBondContact O-N 3.33Å
301	E	56.4	Low	62.7	Low	179 Å²	179	117.3 Å²	117.3	84%	0.836	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-62	133.9	173	-69.9	-172.6	139.6	0	0	108.9	R299 K303	R299-E301 PolarHBondContact O-N 2.79Å; E301-K303 PolarHBondContact O-N 2.96Å; E301-K303 VanDerWaalsContact O-N 3.08Å
302	P	53.2	Low	61.3	Low	121 Å²	121	119.1 Å²	119.1	79%	0.786	62%	0.621	S	S	*	*			trans	-64.8	114.4	174.5	26.1	-31.1	0	0	0	108.5	S304	P302-S304 PolarHBondContact O-N 3.38Å
303	K	51.9	Low	59.6	Low	133 Å²	133	119.7 Å²	119.7	58%	0.578	64%	0.636	S	S	*	*			trans	-53.5	131.4	167.5	-71	-175.1	176.3	-175.3	0	108.4	E301 I308	E301-K303 PolarHBondContact O-N 2.96Å; E301-K303 VanDerWaalsContact O-N 3.08Å; K303-I308 HydrophobicContact CB-CG1 4.31Å
304	S	51.3	Low	58	Low	60 Å²	60	120.3 Å²	120.3	42%	0.42	65%	0.647	S	S	.	*			trans	-56.3	143.7	174.8	70.6	0	0	0	0	109.9	P302 T306 E307	P302-S304 PolarHBondContact O-N 3.38Å; S304-T306 PolarHBondContact O-N 2.81Å; S304-T306 PolarHBondContact OG-OG1 3.03Å; S304-T306 VanDerWaalsContact OG-OG1 3.1Å; S304-E307 PolarHBondContact O-N 3.25Å
305	Q	51.5	Low	56.2	Low	180 Å²	180	121.7 Å²	121.7	84%	0.841	66%	0.663	S	S	*	*	H	α-helix	trans	-55.8	-20.8	-179.3	-75.8	-178.9	-9.3	0	0	113.3
306	T	52.6	Low	54.6	Low	123 Å²	123	123.7 Å²	123.7	76%	0.755	69%	0.69	S	S	*	*	H	α-helix	trans	-75.4	-19.2	174.8	28.7	0	0	0	0	115.2	S304	S304-T306 PolarHBondContact O-N 2.81Å; S304-T306 PolarHBondContact OG-OG1 3.03Å; S304-T306 VanDerWaalsContact OG-OG1 3.1Å
307	E	53.7	Low	52.9	Low	123 Å²	123	124.6 Å²	124.6	58%	0.575	70%	0.704	S	S	*	*	H	α-helix	trans	-88.7	-22.8	173.5	-100.4	-179.1	131.5	0	0	113.1	S304 A309	S304-E307 PolarHBondContact O-N 3.25Å; E307-A309 VanDerWaalsContact C-N 3.31Å; E307-A309 PolarHBondContact O-N 3.34Å
308	I	49.3	Very low	51.6	Low	84 Å²	84	129.4 Å²	129.4	43%	0.431	72%	0.715	S	S	.	*	H	α-helix	trans	-71.3	-28.5	-175.6	-57.1	175.9	0	0	0	111.4	K303 K310	K303-I308 HydrophobicContact CB-CG1 4.31Å; I308-K310 VanDerWaalsContact C-N 3.28Å; I308-K310 PolarHBondContact O-N 3.3Å
309	A	51.1	Low	50.3	Low	80 Å²	80	132.6 Å²	132.6	66%	0.661	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-1.4	-177.5	0	0	0	0	0	115.2	E307	E307-A309 VanDerWaalsContact C-N 3.31Å; E307-A309 PolarHBondContact O-N 3.34Å
310	K	54.6	Low	49.7	Very low	192 Å²	192	130.6 Å²	130.6	84%	0.835	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	-5.6	179.8	-93.3	-176.7	176.3	179.1	0	115.2	I308	I308-K310 VanDerWaalsContact C-N 3.28Å; I308-K310 PolarHBondContact O-N 3.3Å
311	D	52.2	Low	48.7	Very low	110 Å²	110	129.9 Å²	129.9	59%	0.588	73%	0.727	S	S	*	*	S	Bend	trans	-112.1	1.3	-172.7	-136.6	2.5	0	0	0	113.4	S313	D311-S313 VanDerWaalsContact C-N 3.33Å; D311-S313 PolarHBondContact O-N 3Å
312	E	50.1	Low	47.9	Very low	170 Å²	170	128.2 Å²	128.2	79%	0.794	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	9.9	-174.3	-73.7	-169.6	131.4	0	0	115.4
313	S	48.8	Very low	47.5	Very low	116 Å²	116	129.6 Å²	129.6	81%	0.811	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	12.3	179.8	76.9	0	0	0	0	115.7	D311	D311-S313 VanDerWaalsContact C-N 3.33Å; D311-S313 PolarHBondContact O-N 3Å
314	A	45.1	Very low	47.3	Very low	65 Å²	65	131 Å²	131	54%	0.537	72%	0.721	S	S	.	*			trans	-124.5	113.6	-179.7	0	0	0	0	0	112.4	G316	A314-G316 PolarHBondContact O-N 3.05Å
315	P	42.6	Very low	47	Very low	139 Å²	139	132.9 Å²	132.9	90%	0.903	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	112.5	169.9	28.8	-29.7	0	0	0	109
316	G	46.1	Very low	47	Very low	74 Å²	74	132.1 Å²	132.1	76%	0.763	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	141	-3.4	170.2	0	0	0	0	0	117.4	A314 R318	A314-G316 PolarHBondContact O-N 3.05Å; G316-R318 PolarHBondContact O-N 3.2Å
317	A	41.5	Very low	46.9	Very low	89 Å²	89	134.3 Å²	134.3	74%	0.736	72%	0.716	S	S	*	*			trans	-75.3	83.4	-178.8	0	0	0	0	0	112.4	Q319	A317-Q319 PolarHBondContact O-N 3.27Å
318	R	43.6	Very low	46.4	Very low	233 Å²	233	137.6 Å²	137.6	88%	0.879	73%	0.729	S	S	*	*			trans	-75.8	113.6	167.7	-152.8	176.5	-169.3	172.1	2.8	108	G316 Q320	G316-R318 PolarHBondContact O-N 3.2Å; R318-Q320 PolarHBondContact O-N 3.31Å
319	Q	44.5	Very low	46.4	Very low	196 Å²	196	145.5 Å²	145.5	92%	0.916	77%	0.771	S	S	*	*			trans	-57.6	105.8	173.2	-76	175.2	9.8	0	0	109.5	A317	A317-Q319 PolarHBondContact O-N 3.27Å
320	Q	45.1	Very low	46.1	Very low	187 Å²	187	148.8 Å²	148.8	87%	0.874	78%	0.776	S	S	*	*			trans	-83.5	112.2	166.8	-73.3	-178.5	5.3	0	0	107.8	R318 E322	R318-Q320 PolarHBondContact O-N 3.31Å; Q320-E322 PolarHBondContact O-N 2.93Å
321	G	37.2	Very low	45.7	Very low	73 Å²	73	146.5 Å²	146.5	75%	0.753	77%	0.773	S	S	*	*			trans	-69.2	113.9	165.1	0	0	0	0	0	109	I323	G321-I323 PolarHBondContact O-N 3.48Å
322	E	39.8	Very low	45.3	Very low	145 Å²	145	148.6 Å²	148.6	68%	0.678	78%	0.783	S	S	*	*			trans	-74.9	109.8	174.8	-166.6	-179.8	171.8	0	0	108.9	Q320 R324	Q320-E322 PolarHBondContact O-N 2.93Å; E322-R324 HydrophobicContact CG-CG 4.27Å; E322-R324 IonicContact OE1-CZ 2.63Å; E322-R324 VanDerWaalsContact OE1-CZ 3.27Å; E322-R324 IonicContact OE1-NE 3.73Å; E322-R324 PolarHBondContact OE1-NE 3.04Å; E322-R324 IonicContact OE1-NH2 3.72Å; E322-R324 PolarHBondContact OE1-NH2 3.25Å
323	I	45	Very low	45	Very low	150 Å²	150	147.3 Å²	147.3	77%	0.769	78%	0.783	S	S	*	*			trans	-89.5	103.5	168.6	-60.5	174.1	0	0	0	107	G321 M325	G321-I323 PolarHBondContact O-N 3.48Å; I323-M325 HydrophobicContact CG2-CG 4.32Å
324	R	47.1	Very low	44.8	Very low	163 Å²	163	149.3 Å²	149.3	62%	0.615	78%	0.781	S	S	*	*			trans	-93.6	113.8	165.7	-78.7	-171.1	-175.5	177.7	1.3	109.9	E322 Y326	E322-R324 HydrophobicContact CG-CG 4.27Å; E322-R324 IonicContact OE1-CZ 2.63Å; E322-R324 VanDerWaalsContact OE1-CZ 3.27Å; E322-R324 IonicContact OE1-NE 3.73Å; E322-R324 PolarHBondContact OE1-NE 3.04Å; E322-R324 IonicContact OE1-NH2 3.72Å; E322-R324 PolarHBondContact OE1-NH2 3.25Å; R324-Y326 HydrophobicContact CB-CD2 4.22Å; R324-Y326 HydrophobicContact CB-CE2 3.62Å; R324-Y326 VanDerWaalsContact CD-OH 3.29Å; R324-Y326 WeakPolarHBondContact CD-OH 3.42Å
325	M	44.9	Very low	44.8	Very low	98 Å²	98	154.9 Å²	154.9	48%	0.483	80%	0.797	S	S	.	*			trans	-86.5	124.5	167.4	-73.4	-80.7	-70.4	0	0	108.4	V293 I323	V293-M325 HydrophobicContact CG1-CE 3.35Å; V293-M325 HydrophobicContact CG1-SD 4.03Å; I323-M325 HydrophobicContact CG2-CG 4.32Å
326	Y	53.1	Low	44.9	Very low	164 Å²	164	156 Å²	156	64%	0.643	79%	0.79	S	S	*	*			trans	-112.1	117.2	172	-68.3	-88.1	0	0	0	108.1	R324	R324-Y326 HydrophobicContact CB-CD2 4.22Å; R324-Y326 HydrophobicContact CB-CE2 3.62Å; R324-Y326 VanDerWaalsContact CD-OH 3.29Å; R324-Y326 WeakPolarHBondContact CD-OH 3.42Å
327	E	48.9	Very low	44.8	Very low	169 Å²	169	162.3 Å²	162.3	79%	0.79	79%	0.792	S	S	*	*			trans	-90.5	124.3	159	-92.7	-170.5	157.6	0	0	108.5
328	F	44.6	Very low	45.1	Very low	192 Å²	192	168.4 Å²	168.4	84%	0.842	80%	0.796	S	S	*	*			trans	-89.2	133.1	160.8	-81.3	-95.1	0	0	0	107.5
329	L	47.7	Very low	45.3	Very low	251 Å²	251	162.5 Å²	162.5	100%	1.314	79%	0.789	S	S	*	*			trans	-26.2	0	-176.2	-67.8	165.2	0	0	0	117.3

Retrieved 329 of 329 residues in 437.7 ms (Link to these results)

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