A0A023IKK2_RAT Loading...

MHC class II beta chain

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB , UniProt , Accession A0A023IKK2, Species RAT (Rattus norvegicus, Rat), Gene RT1-Db2, Length 287 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	40.7	Very low	56.3	Low	233 Å²	233	139.3 Å²	139.3	100%	1.148	71%	0.713	S	S	*	*				0	95.2	0	-74.4	160.6	92.1	0	0	107.6	C3	M1-C3 PolarHBondContact O-N 3.5Å
2	V	42.5	Very low	58.1	Low	143 Å²	143	133.4 Å²	133.4	87%	0.867	69%	0.689	S	S	*	*			trans	-88.2	103.5	169.5	177.5	0	0	0	0	105.4	L4	V2-L4 PolarHBondContact O-N 3.48Å
3	C	46.3	Very low	59.1	Low	94 Å²	94	124.5 Å²	124.5	64%	0.635	65%	0.646	S	S	*	*			trans	-67.6	111.3	175.9	-73.1	0	0	0	0	108.2	M1 W5	M1-C3 PolarHBondContact O-N 3.5Å; C3-W5 VanDerWaalsContact O-CD1 3.27Å; C3-W5 PolarHBondContact O-N 3.5Å
4	L	47	Very low	60.4	Low	131 Å²	131	119.1 Å²	119.1	69%	0.686	63%	0.63	S	S	*	*			trans	-68.2	98.7	173	-145.6	82.6	0	0	0	107.3	V2 L6	V2-L4 PolarHBondContact O-N 3.48Å; L4-L6 VanDerWaalsContact C-N 3.31Å; L4-L6 PolarHBondContact O-N 3.04Å
5	W	53.1	Low	61.6	Low	239 Å²	239	116.6 Å²	116.6	91%	0.905	62%	0.621	S	S	*	*			trans	-69.2	91.6	174.6	-77.8	79.1	0	0	0	108.1	C3 P7	C3-W5 VanDerWaalsContact O-CD1 3.27Å; C3-W5 PolarHBondContact O-N 3.5Å; W5-P7 WeakPolarHBondContact O-CD 3.48Å
6	L	55.1	Low	62.5	Low	97 Å²	97	112.8 Å²	112.8	51%	0.508	60%	0.603	S	S	.	*			trans	-66.4	122.3	166.5	-86.3	120.9	0	0	0	107.7	L4 R8 A13 L17	L4-L6 VanDerWaalsContact C-N 3.31Å; L4-L6 PolarHBondContact O-N 3.04Å; L6-R8 PolarHBondContact O-N 3.28Å; L6-A13 HydrophobicContact CD2-CB 3.98Å; L6-L17 HydrophobicContact CD2-CD1 4.4Å
7	P	57	Low	63	Low	51 Å²	51	111.2 Å²	111.2	33%	0.331	59%	0.594	S	S	.	*			trans	-58.2	139.1	178	19.1	-26.6	0	0	0	109.4	W5 D9 V12	W5-P7 WeakPolarHBondContact O-CD 3.48Å; P7-D9 PolarHBondContact O-N 3.22Å; P7-D9 VanDerWaalsContact O-N 3.12Å; P7-V12 HydrophobicContact CB-CB 4.13Å; P7-V12 HydrophobicContact CB-CG1 4.06Å; P7-V12 HydrophobicContact CG-CB 3.72Å; P7-V12 HydrophobicContact CG-CG1 3.41Å; P7-V12 VanDerWaalsContact CG-CG1 3.41Å
8	R	63.9	Low	63.4	Low	253 Å²	253	108.4 Å²	108.4	96%	0.955	58%	0.584	S	S	*	*	S	Bend	trans	-65.8	-14.8	-175.2	-148.9	176.7	-169	175.3	2.6	113	L6 P10	L6-R8 PolarHBondContact O-N 3.28Å; R8-P10 WeakPolarHBondContact O-CD 3.33Å
9	D	68	Low	63.6	Low	90 Å²	90	108.3 Å²	108.3	48%	0.481	58%	0.583	S	S	.	*	S	Bend	trans	-79.3	116	175.7	-163.6	-53.1	0	0	0	110.1	P7 C11 V12 A13	P7-D9 PolarHBondContact O-N 3.22Å; P7-D9 VanDerWaalsContact O-N 3.12Å; D9-C11 PolarHBondContact O-N 3.3Å; D9-C11 VanDerWaalsContact O-N 3.13Å; D9-C11 WeakPolarHBondContact OD1-CB 3.4Å; D9-C11 PolarHBondContact OD1-N 2.99Å; D9-V12 HydrophobicContact CB-CB 4.36Å; D9-V12 HydrophobicContact CB-CG2 3.94Å; D9-V12 PolarHBondContact O-N 3.29Å; D9-V12 VanDerWaalsContact O-N 3.12Å; D9-A13 PolarHBondContact O-N 3.39Å; D9-A13 VanDerWaalsContact O-N 3.08Å
10	P	71.5	Confident	63.8	Low	108 Å²	108	108.1 Å²	108.1	70%	0.701	58%	0.581	S	S	*	*	H	α-helix	trans	-55.9	-31.8	-177.2	-21.2	30.4	0	0	0	113.1	R8 A14	R8-P10 WeakPolarHBondContact O-CD 3.33Å; P10-A14 WeakPolarHBondContact O-CB 3.45Å; P10-A14 PolarHBondContact O-N 3Å
11	C	74.6	Confident	64	Low	93 Å²	93	110 Å²	110	63%	0.628	59%	0.588	S	S	*	*	H	α-helix	trans	-70.3	-42.4	-179	-115.4	0	0	0	0	111.2	D9 A14 V15	D9-C11 PolarHBondContact O-N 3.3Å; D9-C11 VanDerWaalsContact O-N 3.13Å; D9-C11 WeakPolarHBondContact OD1-CB 3.4Å; D9-C11 PolarHBondContact OD1-N 2.99Å; C11-A14 PolarHBondContact O-N 3.38Å; C11-V15 WeakPolarHBondContact O-CG2 3.48Å; C11-V15 PolarHBondContact O-N 3.09Å
12	V	77.1	Confident	65.1	Low	69 Å²	69	105.6 Å²	105.6	42%	0.418	57%	0.569	S	S	.	*	H	α-helix	trans	-70.3	-39.9	179.3	-171.6	0	0	0	0	110.3	P7 D9 A14 V15 V16	P7-V12 HydrophobicContact CB-CB 4.13Å; P7-V12 HydrophobicContact CB-CG1 4.06Å; P7-V12 HydrophobicContact CG-CB 3.72Å; P7-V12 HydrophobicContact CG-CG1 3.41Å; P7-V12 VanDerWaalsContact CG-CG1 3.41Å; D9-V12 HydrophobicContact CB-CB 4.36Å; D9-V12 HydrophobicContact CB-CG2 3.94Å; D9-V12 PolarHBondContact O-N 3.29Å; D9-V12 VanDerWaalsContact O-N 3.12Å; V12-A14 VanDerWaalsContact C-N 3.31Å; V12-A14 PolarHBondContact O-N 3.27Å; V12-V15 PolarHBondContact O-N 3.48Å; V12-V16 HydrophobicContact CG1-CG2 4.37Å; V12-V16 VanDerWaalsContact O-CG2 3.3Å; V12-V16 WeakPolarHBondContact O-CG2 3.48Å; V12-V16 PolarHBondContact O-N 3.36Å
13	A	71.3	Confident	65.9	Low	17 Å²	17	101.8 Å²	101.8	14%	0.14	55%	0.548	C	S	.	.	H	α-helix	trans	-59.7	-42.8	174.1	0	0	0	0	0	111.6	L6 D9 V16 L17	L6-A13 HydrophobicContact CD2-CB 3.98Å; D9-A13 PolarHBondContact O-N 3.39Å; D9-A13 VanDerWaalsContact O-N 3.08Å; A13-V16 PolarHBondContact O-N 3.35Å; A13-L17 WeakPolarHBondContact O-CB 3.45Å; A13-L17 PolarHBondContact O-N 3.41Å
14	A	77.9	Confident	66.5	Low	50 Å²	50	102.1 Å²	102.1	41%	0.413	55%	0.549	S	S	.	.	H	α-helix	trans	-63.7	-42.4	176.5	0	0	0	0	0	112.3	P10 C11 V12 L17 S18	P10-A14 WeakPolarHBondContact O-CB 3.45Å; P10-A14 PolarHBondContact O-N 3Å; C11-A14 PolarHBondContact O-N 3.38Å; V12-A14 VanDerWaalsContact C-N 3.31Å; V12-A14 PolarHBondContact O-N 3.27Å; A14-L17 PolarHBondContact O-N 3.48Å; A14-S18 WeakPolarHBondContact O-CB 3.31Å; A14-S18 PolarHBondContact O-N 3.42Å; A14-S18 PolarHBondContact O-OG 3.26Å
15	V	78.4	Confident	67.1	Low	81 Å²	81	101.2 Å²	101.2	49%	0.491	55%	0.551	S	S	.	*	H	α-helix	trans	-66.3	-41.8	176.6	172.9	0	0	0	0	111.3	C11 V12 S18 L19	C11-V15 WeakPolarHBondContact O-CG2 3.48Å; C11-V15 PolarHBondContact O-N 3.09Å; V12-V15 PolarHBondContact O-N 3.48Å; V15-S18 PolarHBondContact O-N 2.97Å; V15-L19 HydrophobicContact CG1-CD1 3.84Å; V15-L19 HydrophobicContact CG1-CG 4.33Å; V15-L19 WeakPolarHBondContact O-CB 3.26Å; V15-L19 VanDerWaalsContact O-CG 3.31Å; V15-L19 WeakPolarHBondContact O-CG 3.24Å; V15-L19 PolarHBondContact O-N 2.93Å
16	V	76.1	Confident	67.3	Low	56 Å²	56	96.5 Å²	96.5	34%	0.339	55%	0.549	S	S	.	.	H	α-helix	trans	-65.3	-43.9	176.6	173.4	0	0	0	0	110.9	V12 A13 S18 L19 L20	V12-V16 HydrophobicContact CG1-CG2 4.37Å; V12-V16 VanDerWaalsContact O-CG2 3.3Å; V12-V16 WeakPolarHBondContact O-CG2 3.48Å; V12-V16 PolarHBondContact O-N 3.36Å; A13-V16 PolarHBondContact O-N 3.35Å; V16-S18 VanDerWaalsContact C-N 3.32Å; V16-S18 PolarHBondContact O-N 3.48Å; V16-L19 PolarHBondContact O-N 3.22Å; V16-L20 HydrophobicContact CG1-CD1 3.94Å; V16-L20 HydrophobicContact CG1-CG 4.4Å; V16-L20 WeakPolarHBondContact O-CB 3.37Å; V16-L20 VanDerWaalsContact O-CG 3.25Å; V16-L20 WeakPolarHBondContact O-CG 3.3Å; V16-L20 PolarHBondContact O-N 3.01Å
17	L	71.1	Confident	67.4	Low	85 Å²	85	95.1 Å²	95.1	45%	0.445	55%	0.551	S	S	.	*	H	α-helix	trans	-61.9	-41.4	173.9	-95.5	151.5	0	0	0	111.6	L6 A13 A14 L20 M21	L6-L17 HydrophobicContact CD2-CD1 4.4Å; A13-L17 WeakPolarHBondContact O-CB 3.45Å; A13-L17 PolarHBondContact O-N 3.41Å; A14-L17 PolarHBondContact O-N 3.48Å; L17-L20 PolarHBondContact O-N 2.9Å; L17-M21 HydrophobicContact CD2-CE 4.47Å; L17-M21 WeakPolarHBondContact O-CB 3.43Å; L17-M21 WeakPolarHBondContact O-CG 3.41Å; L17-M21 PolarHBondContact O-N 2.95Å
18	S	69.9	Low	67.4	Low	61 Å²	61	100.3 Å²	100.3	43%	0.427	58%	0.575	S	S	.	*	H	α-helix	trans	-64.9	-44.2	177.1	-60.2	0	0	0	0	110.9	A14 V15 V16 M21 L22	A14-S18 WeakPolarHBondContact O-CB 3.31Å; A14-S18 PolarHBondContact O-N 3.42Å; A14-S18 PolarHBondContact O-OG 3.26Å; V15-S18 PolarHBondContact O-N 2.97Å; V16-S18 VanDerWaalsContact C-N 3.32Å; V16-S18 PolarHBondContact O-N 3.48Å; S18-M21 PolarHBondContact O-N 3.48Å; S18-L22 VanDerWaalsContact O-CB 3.29Å; S18-L22 WeakPolarHBondContact O-CB 3.34Å; S18-L22 WeakPolarHBondContact O-CD1 3.47Å; S18-L22 PolarHBondContact O-N 3.09Å
19	L	67.7	Low	67.3	Low	106 Å²	106	94.5 Å²	94.5	56%	0.555	57%	0.568	S	S	*	*	H	α-helix	trans	-64.2	-39.5	174.9	-76.9	167.2	0	0	0	112	V15 V16 M21 S23	V15-L19 HydrophobicContact CG1-CD1 3.84Å; V15-L19 HydrophobicContact CG1-CG 4.33Å; V15-L19 WeakPolarHBondContact O-CB 3.26Å; V15-L19 VanDerWaalsContact O-CG 3.31Å; V15-L19 WeakPolarHBondContact O-CG 3.24Å; V15-L19 PolarHBondContact O-N 2.93Å; V16-L19 PolarHBondContact O-N 3.22Å; L19-M21 VanDerWaalsContact C-N 3.32Å; L19-S23 VanDerWaalsContact O-CB 3.3Å; L19-S23 WeakPolarHBondContact O-CB 3.46Å; L19-S23 PolarHBondContact O-N 3.48Å; L19-S23 PolarHBondContact O-OG 3.27Å
20	L	66.9	Low	67.1	Low	104 Å²	104	101 Å²	101	55%	0.545	59%	0.586	S	S	.	*	H	α-helix	trans	-67.3	-33.6	175.6	-73.6	170.1	0	0	0	112.1	V16 L17	V16-L20 HydrophobicContact CG1-CD1 3.94Å; V16-L20 HydrophobicContact CG1-CG 4.4Å; V16-L20 WeakPolarHBondContact O-CB 3.37Å; V16-L20 VanDerWaalsContact O-CG 3.25Å; V16-L20 WeakPolarHBondContact O-CG 3.3Å; V16-L20 PolarHBondContact O-N 3.01Å; L17-L20 PolarHBondContact O-N 2.9Å
21	M	69.3	Low	66.9	Low	150 Å²	150	100 Å²	100	74%	0.739	57%	0.574	S	S	*	*	H	α-helix	trans	-80.9	-32.3	176.7	-68.2	-69	160.5	0	0	112.9	L17 S18 L19	L17-M21 HydrophobicContact CD2-CE 4.47Å; L17-M21 WeakPolarHBondContact O-CB 3.43Å; L17-M21 WeakPolarHBondContact O-CG 3.41Å; L17-M21 PolarHBondContact O-N 2.95Å; S18-M21 PolarHBondContact O-N 3.48Å; L19-M21 VanDerWaalsContact C-N 3.32Å
22	L	62.9	Low	66.7	Low	140 Å²	140	101 Å²	101	73%	0.733	58%	0.58	S	S	*	*	H	α-helix	trans	-83.7	-15.9	174.5	-90.5	93.6	0	0	0	112.9	S18 P24	S18-L22 VanDerWaalsContact O-CB 3.29Å; S18-L22 WeakPolarHBondContact O-CB 3.34Å; S18-L22 WeakPolarHBondContact O-CD1 3.47Å; S18-L22 PolarHBondContact O-N 3.09Å; L22-P24 WeakPolarHBondContact O-CD 3.32Å; L22-P24 VanDerWaalsContact O-N 3.08Å
23	S	58.9	Low	66.7	Low	63 Å²	63	106.6 Å²	106.6	44%	0.441	59%	0.593	S	S	.	*	S	Bend	trans	-64.8	109.2	165.7	-63.9	0	0	0	0	105.6	L19 P25	L19-S23 VanDerWaalsContact O-CB 3.3Å; L19-S23 WeakPolarHBondContact O-CB 3.46Å; L19-S23 PolarHBondContact O-N 3.48Å; L19-S23 PolarHBondContact O-OG 3.27Å; S23-P25 VanDerWaalsContact O-N 3.16Å
24	P	59	Low	67	Low	100 Å²	100	110.5 Å²	110.5	65%	0.649	62%	0.617	S	S	*	*			trans	-51.5	133.4	171.9	21.4	-29.2	0	0	0	105.3	L22 V26	L22-P24 WeakPolarHBondContact O-CD 3.32Å; L22-P24 VanDerWaalsContact O-N 3.08Å; P24-V26 PolarHBondContact O-N 3.47Å
25	P	58.8	Low	67.2	Low	112 Å²	112	119.8 Å²	119.8	73%	0.727	64%	0.641	S	S	*	*			trans	-46.7	126.7	177.5	20.2	-30.6	0	0	0	104.5	S23 A27	S23-P25 VanDerWaalsContact O-N 3.16Å; P25-A27 PolarHBondContact O-N 2.96Å
26	V	57.6	Low	67.5	Low	141 Å²	141	121.3 Å²	121.3	86%	0.855	64%	0.642	S	S	*	*			trans	-62.9	73.8	164	-179.4	0	0	0	0	103	P24 L28	P24-V26 PolarHBondContact O-N 3.47Å; V26-L28 PolarHBondContact O-N 3.43Å
27	A	57.6	Low	68.2	Low	68 Å²	68	121.9 Å²	121.9	56%	0.562	64%	0.643	S	S	*	*			trans	-55	107.2	168.8	0	0	0	0	0	99.2	P25 V29	P25-A27 PolarHBondContact O-N 2.96Å; A27-V29 WeakPolarHBondContact O-CA 3.45Å; A27-V29 WeakPolarHBondContact O-CG2 3.31Å; A27-V29 PolarHBondContact O-N 2.93Å
28	L	57.9	Low	69.1	Low	160 Å²	160	124.6 Å²	124.6	84%	0.838	65%	0.653	S	S	*	*			trans	-39.7	95	174.1	-74.9	152.6	0	0	0	105.2	V26 R30	V26-L28 PolarHBondContact O-N 3.43Å; L28-R30 PolarHBondContact O-N 3.49Å
29	V	61.1	Low	70.4	Confident	131 Å²	131	125.6 Å²	125.6	79%	0.794	65%	0.651	S	S	*	*			trans	-69.4	92.7	178.1	171.8	0	0	0	0	99.6	A27 D31	A27-V29 WeakPolarHBondContact O-CA 3.45Å; A27-V29 WeakPolarHBondContact O-CG2 3.31Å; A27-V29 PolarHBondContact O-N 2.93Å; V29-D31 VanDerWaalsContact C-N 3.31Å; V29-D31 PolarHBondContact O-N 2.86Å
30	R	63.1	Low	71.7	Confident	227 Å²	227	125.7 Å²	125.7	86%	0.857	65%	0.651	S	S	*	*			trans	-53.8	111.9	173.9	-87.2	-172.5	177.3	178.9	0.7	102.7	L28 P32	L28-R30 PolarHBondContact O-N 3.49Å; R30-P32 WeakPolarHBondContact O-CD 3.34Å
31	D	68.9	Low	73.2	Confident	86 Å²	86	125.9 Å²	125.9	46%	0.46	65%	0.648	S	S	.	*			trans	-47.8	109.2	176.5	-177.4	-6.2	0	0	0	106.6	V29 R33	V29-D31 VanDerWaalsContact C-N 3.31Å; V29-D31 PolarHBondContact O-N 2.86Å; D31-R33 VanDerWaalsContact CG-NE 3.3Å; D31-R33 PolarHBondContact O-N 3.33Å; D31-R33 VanDerWaalsContact O-N 3.08Å; D31-R33 VanDerWaalsContact OD1-CB 3.29Å; D31-R33 WeakPolarHBondContact OD1-CB 3.47Å; D31-R33 WeakPolarHBondContact OD1-CG 3.42Å; D31-R33 IonicContact OD1-CZ 2.72Å; D31-R33 PolarHBondContact OD1-N 3.34Å; D31-R33 IonicContact OD1-NE 3.75Å; D31-R33 PolarHBondContact OD1-NE 3.47Å; D31-R33 IonicContact OD2-CZ 3.08Å; D31-R33 IonicContact OD2-NE 3.72Å; D31-R33 PolarHBondContact OD2-NE 2.93Å; D31-R33 IonicContact OD2-NH2 3.73Å; D31-R33 PolarHBondContact OD2-NH2 2.86Å
32	P	70.6	Confident	74.5	Confident	115 Å²	115	122.7 Å²	122.7	75%	0.747	65%	0.645	S	S	*	*			trans	-73	-3.1	-170.2	29.9	-34.7	0	0	0	110.7	R30 P34	R30-P32 WeakPolarHBondContact O-CD 3.34Å; P32-P34 WeakPolarHBondContact O-CD 3.48Å
33	R	75.9	Confident	76.1	Confident	185 Å²	185	117.2 Å²	117.2	70%	0.698	62%	0.615	S	S	*	*	S	Bend	trans	-58.1	120.9	176.9	-71	-176.5	-64.7	175.6	2.4	109.3	D31 R35	D31-R33 VanDerWaalsContact CG-NE 3.3Å; D31-R33 PolarHBondContact O-N 3.33Å; D31-R33 VanDerWaalsContact O-N 3.08Å; D31-R33 VanDerWaalsContact OD1-CB 3.29Å; D31-R33 WeakPolarHBondContact OD1-CB 3.47Å; D31-R33 WeakPolarHBondContact OD1-CG 3.42Å; D31-R33 IonicContact OD1-CZ 2.72Å; D31-R33 PolarHBondContact OD1-N 3.34Å; D31-R33 IonicContact OD1-NE 3.75Å; D31-R33 PolarHBondContact OD1-NE 3.47Å; D31-R33 IonicContact OD2-CZ 3.08Å; D31-R33 IonicContact OD2-NE 3.72Å; D31-R33 PolarHBondContact OD2-NE 2.93Å; D31-R33 IonicContact OD2-NH2 3.73Å; D31-R33 PolarHBondContact OD2-NH2 2.86Å; R33-R35 PolarHBondContact O-N 2.92Å
34	P	77.6	Confident	77.9	Confident	99 Å²	99	116.9 Å²	116.9	64%	0.643	61%	0.613	S	S	*	*			trans	-61.9	141	176.2	27.7	-34	0	0	0	109	P32 F36	P32-P34 WeakPolarHBondContact O-CD 3.48Å; P34-F36 PolarHBondContact O-N 3.43Å
35	R	83	Confident	79.7	Confident	245 Å²	245	115 Å²	115	93%	0.925	60%	0.595	S	S	*	*	S	Bend	trans	-65.2	-27.8	178.5	-70.9	-176.9	176.1	179.3	-2.2	112.6	R33	R33-R35 PolarHBondContact O-N 2.92Å
36	F	83.9	Confident	81.4	Confident	114 Å²	114	112.9 Å²	112.9	50%	0.5	57%	0.573	S	S	.	*	S	Bend	trans	-151.3	153.9	176.9	54.6	-91.6	0	0	0	109.3	P34 Y61 N62	P34-F36 PolarHBondContact O-N 3.43Å; F36-Y61 HydrophobicContact CB-CE2 4.01Å; F36-Y61 WeakPolarHBondContact CB-OH 3.23Å; F36-Y61 AromaticContact CD2-CE2 3.91Å; F36-Y61 HydrophobicContact CD2-CE2 3.91Å; F36-Y61 HydrophobicContact CG-CE2 4.21Å; F36-N62 WeakPolarHBondContact CA-OD1 3.49Å
37	L	90.2	Very high	83	Confident	68 Å²	68	111.1 Å²	111.1	36%	0.356	56%	0.562	S	S	.	*			trans	-116.9	116.8	178.9	175.3	63.4	0	0	0	109.2	Q39 Y61 N62 Q63	L37-Q39 HydrophobicContact CD1-CG 3.97Å; L37-Q39 HydrophobicContact CD2-CG 4.23Å; L37-Q39 HydrophobicContact CG-CG 3.88Å; L37-Y61 CarbonylContact O-C 3.48Å; L37-N62 PolarHBondContact N-OD1 2.86Å; L37-N62 PolarHBondContact O-N 3.07Å; L37-Q63 HydrophobicContact CD2-CG 4.25Å
38	E	91	Very high	84.5	Confident	141 Å²	141	114.1 Å²	114.1	66%	0.659	56%	0.563	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.9	130.5	170.6	-173.8	179.4	-169.3	0	0	109
39	Q	95.8	Very high	86	Confident	83 Å²	83	107.7 Å²	107.7	39%	0.388	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.4	-179.6	-65	174.2	-84.3	0	0	110.4	L37 I60	L37-Q39 HydrophobicContact CD1-CG 3.97Å; L37-Q39 HydrophobicContact CD2-CG 4.23Å; L37-Q39 HydrophobicContact CG-CG 3.88Å; Q39-I60 HydrophobicContact CB-CB 4.06Å; Q39-I60 HydrophobicContact CB-CG2 4.44Å; Q39-I60 PolarHBondContact N-O 3.32Å; Q39-I60 PolarHBondContact O-N 2.91Å
40	L	96	Very high	87.6	Confident	107 Å²	107	106.7 Å²	106.7	56%	0.56	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.9	166.7	-169.4	74	0	0	0	107.7	T57 R58 F59	L40-T57 HydrophobicContact CD1-CG2 3.51Å; L40-T57 HydrophobicContact CD2-CG2 4.26Å; L40-T57 HydrophobicContact CG-CG2 3.8Å; L40-R58 WeakPolarHBondContact CA-O 3.02Å; L40-F59 HydrophobicContact CD1-CD1 3.5Å; L40-F59 HydrophobicContact CD1-CE1 3.46Å; L40-F59 VanDerWaalsContact CD1-CE1 3.46Å; L40-F59 HydrophobicContact CD1-CG 4.15Å; L40-F59 HydrophobicContact CD1-CZ 4.06Å
41	K	97.6	Very high	88.9	Confident	109 Å²	109	102 Å²	102	47%	0.474	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	105.9	179.3	-166.6	-176.5	178.4	-150.5	0	109.6	E43 T57 R58 I60	K41-E43 HydrophobicContact CD-CG 4.41Å; K41-E43 WeakPolarHBondContact CD-OE1 3.36Å; K41-E43 VanDerWaalsContact CE-OE1 3.24Å; K41-E43 WeakPolarHBondContact CE-OE1 3.45Å; K41-E43 HydrophobicContact CG-CG 4.21Å; K41-E43 IonicContact NZ-OE1 2.96Å; K41-E43 PolarHBondContact NZ-OE1 3.03Å; K41-T57 CarbonylContact O-C 3.57Å; K41-T57 WeakPolarHBondContact O-CA 3.43Å; K41-R58 HydrophobicContact CB-CB 4.2Å; K41-R58 PolarHBondContact N-O 3Å; K41-R58 PolarHBondContact O-N 3.43Å; K41-I60 HydrophobicContact CB-CD1 4.04Å
42	A	96.6	Very high	90.1	Very high	82 Å²	82	102.9 Å²	102.9	68%	0.678	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	121.9	173.4	0	0	0	0	0	109.8
43	E	97.5	Very high	91.3	Very high	25 Å²	25	98 Å²	98	12%	0.117	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.1	-179.2	-55.5	178.9	176	0	0	109	K41 H45 S55 V56 R58	K41-E43 HydrophobicContact CD-CG 4.41Å; K41-E43 WeakPolarHBondContact CD-OE1 3.36Å; K41-E43 VanDerWaalsContact CE-OE1 3.24Å; K41-E43 WeakPolarHBondContact CE-OE1 3.45Å; K41-E43 HydrophobicContact CG-CG 4.21Å; K41-E43 IonicContact NZ-OE1 2.96Å; K41-E43 PolarHBondContact NZ-OE1 3.03Å; E43-H45 WeakPolarHBondContact CB-NE2 3.34Å; E43-H45 IonicContact OE2-CE1 2.71Å; E43-H45 IonicContact OE2-NE2 3.55Å; E43-H45 PolarHBondContact OE2-NE2 3.33Å; E43-S55 CarbonylContact O-C 3.6Å; E43-S55 WeakPolarHBondContact O-CA 3.26Å; E43-V56 HydrophobicContact CB-CB 4.33Å; E43-V56 WeakPolarHBondContact CB-O 3.4Å; E43-V56 PolarHBondContact N-O 2.89Å; E43-V56 PolarHBondContact O-N 3.3Å; E43-R58 VanDerWaalsContact CD-NE 3.3Å; E43-R58 WeakPolarHBondContact OE1-CD 3.41Å; E43-R58 IonicContact OE1-CZ 2.96Å; E43-R58 IonicContact OE1-NE 3.54Å; E43-R58 PolarHBondContact OE1-NE 3.05Å; E43-R58 IonicContact OE1-NH2 2.78Å; E43-R58 IonicContact OE2-CZ 3.93Å; E43-R58 IonicContact OE2-NE 3.78Å; E43-R58 PolarHBondContact OE2-NE 3.42Å; E43-R58 IonicContact OE2-NH2 2.8Å; E43-R58 PolarHBondContact OE2-NH2 3.48Å; E43-R58 VanDerWaalsContact OE2-NH2 3.08Å
44	C	97.4	Very high	92.3	Very high	56 Å²	56	93.3 Å²	93.3	38%	0.378	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.4	165.9	-65.4	0	0	0	0	107.4	Y46 C107	C44-Y46 HydrophobicContact CB-CD2 4.41Å; C44-Y46 HydrophobicContact CB-CE2 3.53Å; C44-C107 HydrophobicContact CB-CB 3.62Å; C44-C107 WeakPolarHBondContact CB-SG 3.36Å; C44-C107 WeakPolarHBondContact SG-CB 3.04Å; C44-C107 CovalentContact SG-SG 2.03Å; C44-C107 PolarHBondContact SG-SG 3.49Å
45	H	96.6	Very high	93.3	Very high	61 Å²	61	88.7 Å²	88.7	28%	0.282	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.8	-179.6	-66.7	-91.3	0	0	0	109	E43 V53 W54	E43-H45 WeakPolarHBondContact CB-NE2 3.34Å; E43-H45 IonicContact OE2-CE1 2.71Å; E43-H45 IonicContact OE2-NE2 3.55Å; E43-H45 PolarHBondContact OE2-NE2 3.33Å; H45-V53 VanDerWaalsContact O-CA 3.32Å; H45-V53 WeakPolarHBondContact O-CA 3.46Å; H45-W54 HydrophobicContact CB-CD2 3.64Å; H45-W54 HydrophobicContact CB-CE3 4.13Å; H45-W54 HydrophobicContact CB-CG 4.17Å; H45-W54 HydrophobicContact CB-CH2 3.94Å; H45-W54 HydrophobicContact CB-CZ2 3.41Å; H45-W54 VanDerWaalsContact CB-CZ2 3.41Å; H45-W54 HydrophobicContact CB-CZ3 4.27Å; H45-W54 AromaticContact CD2-CD1 3.88Å; H45-W54 AromaticContact CD2-NE1 3.41Å; H45-W54 PolarHBondContact CD2-NE1 3.34Å; H45-W54 AromaticContact CG-CE2 3.6Å; H45-W54 AromaticContact CG-CZ2 3.78Å; H45-W54 AromaticContact CG-NE1 3.45Å; H45-W54 PolarHBondContact N-O 3.39Å; H45-W54 PolarHBondContact O-N 2.96Å
46	Y	94.4	Very high	94	Very high	67 Å²	67	77.3 Å²	77.3	26%	0.263	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.5	-178.2	-55.6	-85	0	0	0	109.3	C44 V53 C107 Y111	C44-Y46 HydrophobicContact CB-CD2 4.41Å; C44-Y46 HydrophobicContact CB-CE2 3.53Å; Y46-V53 HydrophobicContact CD1-CB 4.46Å; Y46-V53 HydrophobicContact CD1-CG1 4Å; Y46-V53 HydrophobicContact CD1-CG2 3.63Å; Y46-V53 HydrophobicContact CE1-CG1 3.95Å; Y46-V53 HydrophobicContact CE1-CG2 4.12Å; Y46-C107 HydrophobicContact CE1-CB 4.39Å; Y46-C107 VanDerWaalsContact CE1-O 3.32Å; Y46-C107 WeakPolarHBondContact CE1-O 3.48Å; Y46-C107 PolarHBondContact OH-O 2.91Å; Y46-Y111 AromaticContact CD1-CD2 3.52Å; Y46-Y111 HydrophobicContact CD1-CD2 3.52Å; Y46-Y111 HydrophobicContact CD1-CE2 4.25Å; Y46-Y111 HydrophobicContact CD1-CG 4.49Å; Y46-Y111 AromaticContact CE1-CD2 3.86Å; Y46-Y111 HydrophobicContact CE1-CD2 3.86Å; Y46-Y111 HydrophobicContact CE1-CG 4.49Å; Y46-Y111 HydrophobicContact CG-CD2 4.1Å; Y46-Y111 HydrophobicContact CG-CE2 4.48Å
47	V	91.1	Very high	94.7	Very high	104 Å²	104	72.4 Å²	72.4	63%	0.63	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	-45.8	178.4	171	0	0	0	0	111.8	H52 W54	V47-H52 HydrophobicContact CB-CB 4.15Å; V47-H52 PolarHBondContact N-O 2.87Å; V47-H52 VanDerWaalsContact N-O 3.09Å; V47-W54 HydrophobicContact CB-CZ3 4.35Å; V47-W54 HydrophobicContact CG2-CH2 3.41Å; V47-W54 VanDerWaalsContact CG2-CH2 3.41Å; V47-W54 HydrophobicContact CG2-CZ3 3.33Å
48	K	88.8	Confident	95.1	Very high	131 Å²	131	71.5 Å²	71.5	57%	0.57	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.9	86.5	-177.5	-168.1	-173.3	-179.8	-163.9	0	109.9	R50 E51 H52	K48-R50 PolarHBondContact O-N 2.91Å; K48-E51 PolarHBondContact O-N 2.94Å; K48-H52 HydrophobicContact CB-CB 4.4Å
49	G	89.7	Confident	95.4	Very high	26 Å²	26	66.2 Å²	66.2	27%	0.268	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	-135.2	-178.4	0	0	0	0	0	112.5	V53	G49-V53 WeakPolarHBondContact O-CG2 3.4Å
50	R	93.3	Very high	95.4	Very high	109 Å²	109	63.2 Å²	63.2	41%	0.411	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-12.3	179.4	-60.3	178.1	179.1	-153.5	13.2	114.3	K48 R108 Y111 D112	K48-R50 PolarHBondContact O-N 2.91Å; R50-R108 PolarHBondContact O-NE 3.46Å; R50-Y111 HydrophobicContact CG-CD1 3.75Å; R50-Y111 HydrophobicContact CG-CG 3.78Å; R50-D112 IonicContact CZ-OD1 2.92Å; R50-D112 IonicContact CZ-OD2 3.33Å; R50-D112 IonicContact NE-OD1 3.21Å; R50-D112 PolarHBondContact NE-OD1 3.45Å; R50-D112 VanDerWaalsContact NE-OD1 3.1Å; R50-D112 IonicContact NH2-OD1 3.09Å; R50-D112 PolarHBondContact NH2-OD1 3.43Å; R50-D112 IonicContact NH2-OD2 2.78Å; R50-D112 PolarHBondContact NH2-OD2 2.99Å
51	E	90.3	Very high	95.3	Very high	130 Å²	130	62.8 Å²	62.8	61%	0.607	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-51.3	-171.8	-64.8	176.9	175.4	0	0	111.1	K48	K48-E51 PolarHBondContact O-N 2.94Å
52	H	94	Very high	94.9	Very high	104 Å²	104	61.6 Å²	61.6	48%	0.481	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	83.5	-174.8	-62.5	81.8	0	0	0	109.3	V47 K48	V47-H52 HydrophobicContact CB-CB 4.15Å; V47-H52 PolarHBondContact N-O 2.87Å; V47-H52 VanDerWaalsContact N-O 3.09Å; K48-H52 HydrophobicContact CB-CB 4.4Å
53	V	96.2	Very high	94.7	Very high	13 Å²	13	65.3 Å²	65.3	8%	0.079	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132	-178.3	-175.9	0	0	0	0	109.4	H45 Y46 G49 C107 R108	H45-V53 VanDerWaalsContact O-CA 3.32Å; H45-V53 WeakPolarHBondContact O-CA 3.46Å; Y46-V53 HydrophobicContact CD1-CB 4.46Å; Y46-V53 HydrophobicContact CD1-CG1 4Å; Y46-V53 HydrophobicContact CD1-CG2 3.63Å; Y46-V53 HydrophobicContact CE1-CG1 3.95Å; Y46-V53 HydrophobicContact CE1-CG2 4.12Å; G49-V53 WeakPolarHBondContact O-CG2 3.4Å; V53-C107 HydrophobicContact CG1-CB 3.7Å; V53-R108 HydrophobicContact CB-CG 4.09Å; V53-R108 HydrophobicContact CG1-CG 4.37Å; V53-R108 HydrophobicContact CG2-CG 4.12Å
54	W	97.5	Very high	94.6	Very high	86 Å²	86	70.3 Å²	70.3	33%	0.326	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	157.1	167.1	69.4	96.6	0	0	0	109.6	H45 V47 S71 V72	H45-W54 HydrophobicContact CB-CD2 3.64Å; H45-W54 HydrophobicContact CB-CE3 4.13Å; H45-W54 HydrophobicContact CB-CG 4.17Å; H45-W54 HydrophobicContact CB-CH2 3.94Å; H45-W54 HydrophobicContact CB-CZ2 3.41Å; H45-W54 VanDerWaalsContact CB-CZ2 3.41Å; H45-W54 HydrophobicContact CB-CZ3 4.27Å; H45-W54 AromaticContact CD2-CD1 3.88Å; H45-W54 AromaticContact CD2-NE1 3.41Å; H45-W54 PolarHBondContact CD2-NE1 3.34Å; H45-W54 AromaticContact CG-CE2 3.6Å; H45-W54 AromaticContact CG-CZ2 3.78Å; H45-W54 AromaticContact CG-NE1 3.45Å; H45-W54 PolarHBondContact N-O 3.39Å; H45-W54 PolarHBondContact O-N 2.96Å; V47-W54 HydrophobicContact CB-CZ3 4.35Å; V47-W54 HydrophobicContact CG2-CH2 3.41Å; V47-W54 VanDerWaalsContact CG2-CH2 3.41Å; V47-W54 HydrophobicContact CG2-CZ3 3.33Å; W54-S71 WeakPolarHBondContact CA-OG 3.47Å; W54-S71 WeakPolarHBondContact CB-OG 3.33Å; W54-V72 HydrophobicContact CB-CG2 3.85Å; W54-V72 HydrophobicContact CG-CG2 3.94Å
55	S	97.5	Very high	94.7	Very high	2 Å²	2	69.2 Å²	69.2	1%	0.014	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	144.7	179.3	58.1	0	0	0	0	110.7	E43 S71 S103	E43-S55 CarbonylContact O-C 3.6Å; E43-S55 WeakPolarHBondContact O-CA 3.26Å; S55-S71 PolarHBondContact N-OG 3.36Å; S55-S71 WeakPolarHBondContact O-CB 3.49Å; S55-S71 PolarHBondContact O-N 3.32Å; S55-S71 PolarHBondContact O-OG 2.92Å; S55-S71 WeakPolarHBondContact OG-CB 3.11Å; S55-S103 WeakPolarHBondContact CB-OG 3.34Å; S55-S103 PolarHBondContact OG-OG 2.89Å
56	V	98.5	Very high	94.7	Very high	6 Å²	6	67.5 Å²	67.5	4%	0.036	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127	174.7	-178.9	0	0	0	0	107.6	E43 R58 R68 F69	E43-V56 HydrophobicContact CB-CB 4.33Å; E43-V56 WeakPolarHBondContact CB-O 3.4Å; E43-V56 PolarHBondContact N-O 2.89Å; E43-V56 PolarHBondContact O-N 3.3Å; V56-R58 HydrophobicContact CG1-CG 3.97Å; V56-R68 HydrophobicContact CG1-CB 4.41Å; V56-F69 CarbonylContact C-O 3.51Å; V56-F69 VanDerWaalsContact CA-O 3.32Å; V56-F69 WeakPolarHBondContact CA-O 3.45Å
57	T	98.3	Very high	94.9	Very high	11 Å²	11	64.3 Å²	64.3	7%	0.067	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	112.5	171.4	-54.7	0	0	0	0	109	L40 K41 R68 F69 Y100	L40-T57 HydrophobicContact CD1-CG2 3.51Å; L40-T57 HydrophobicContact CD2-CG2 4.26Å; L40-T57 HydrophobicContact CG-CG2 3.8Å; K41-T57 CarbonylContact O-C 3.57Å; K41-T57 WeakPolarHBondContact O-CA 3.43Å; T57-R68 CarbonylContact O-C 3.47Å; T57-R68 WeakPolarHBondContact O-CA 3.27Å; T57-R68 WeakPolarHBondContact O-CB 3.29Å; T57-F69 PolarHBondContact N-O 3.03Å; T57-F69 PolarHBondContact O-N 3.39Å; T57-Y100 HydrophobicContact CG2-CD1 4.46Å; T57-Y100 HydrophobicContact CG2-CE1 3.69Å
58	R	98.4	Very high	95.2	Very high	49 Å²	49	62.3 Å²	62.3	19%	0.185	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.8	-178.1	-50.8	-177.3	-176	-92.9	-9.3	110.9	L40 K41 E43 V56 I60 E65	L40-R58 WeakPolarHBondContact CA-O 3.02Å; K41-R58 HydrophobicContact CB-CB 4.2Å; K41-R58 PolarHBondContact N-O 3Å; K41-R58 PolarHBondContact O-N 3.43Å; E43-R58 VanDerWaalsContact CD-NE 3.3Å; E43-R58 WeakPolarHBondContact OE1-CD 3.41Å; E43-R58 IonicContact OE1-CZ 2.96Å; E43-R58 IonicContact OE1-NE 3.54Å; E43-R58 PolarHBondContact OE1-NE 3.05Å; E43-R58 IonicContact OE1-NH2 2.78Å; E43-R58 IonicContact OE2-CZ 3.93Å; E43-R58 IonicContact OE2-NE 3.78Å; E43-R58 PolarHBondContact OE2-NE 3.42Å; E43-R58 IonicContact OE2-NH2 2.8Å; E43-R58 PolarHBondContact OE2-NH2 3.48Å; E43-R58 VanDerWaalsContact OE2-NH2 3.08Å; V56-R58 HydrophobicContact CG1-CG 3.97Å; R58-I60 HydrophobicContact CB-CD1 4.07Å; R58-I60 HydrophobicContact CB-CG1 4.03Å; R58-E65 HydrophobicContact CB-CG 4.13Å; R58-E65 WeakPolarHBondContact CB-OE1 3.37Å; R58-E65 VanDerWaalsContact CG-OE1 3.27Å; R58-E65 WeakPolarHBondContact CG-OE1 3.33Å; R58-E65 IonicContact CZ-OE2 3.05Å; R58-E65 IonicContact NH1-OE1 3.49Å; R58-E65 PolarHBondContact NH1-OE1 3.22Å; R58-E65 IonicContact NH1-OE2 2.66Å; R58-E65 PolarHBondContact NH1-OE2 2.89Å
59	F	97.4	Very high	95.7	Very high	29 Å²	29	56 Å²	56	13%	0.127	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	117	171.2	-57.8	-93.6	0	0	0	108.3	L40 E65 F66 A67 F76 L90 Y100	L40-F59 HydrophobicContact CD1-CD1 3.5Å; L40-F59 HydrophobicContact CD1-CE1 3.46Å; L40-F59 VanDerWaalsContact CD1-CE1 3.46Å; L40-F59 HydrophobicContact CD1-CG 4.15Å; L40-F59 HydrophobicContact CD1-CZ 4.06Å; F59-E65 WeakPolarHBondContact O-CA 3.24Å; F59-F66 HydrophobicContact CB-CD1 4.4Å; F59-F66 HydrophobicContact CB-CE1 3.75Å; F59-F66 HydrophobicContact CB-CE2 3.93Å; F59-F66 HydrophobicContact CB-CZ 3.5Å; F59-F66 VanDerWaalsContact CB-CZ 3.5Å; F59-F66 HydrophobicContact CG-CZ 4.47Å; F59-F66 VanDerWaalsContact O-CD1 3.3Å; F59-F66 WeakPolarHBondContact O-CD1 3.35Å; F59-F66 PolarHBondContact O-N 3.49Å; F59-A67 HydrophobicContact CB-CB 4.47Å; F59-A67 WeakPolarHBondContact CB-O 3.45Å; F59-A67 HydrophobicContact CD2-CB 4.27Å; F59-A67 WeakPolarHBondContact CD2-O 3.4Å; F59-A67 PolarHBondContact N-O 2.86Å; F59-F76 AromaticContact CE2-CD1 3.83Å; F59-F76 HydrophobicContact CE2-CD1 3.83Å; F59-F76 AromaticContact CE2-CE1 3.67Å; F59-F76 HydrophobicContact CE2-CE1 3.67Å; F59-F76 HydrophobicContact CZ-CD1 4.32Å; F59-F76 AromaticContact CZ-CE1 3.75Å; F59-F76 HydrophobicContact CZ-CE1 3.75Å; F59-L90 HydrophobicContact CZ-CD1 4.29Å; F59-Y100 HydrophobicContact CE2-CE1 4.41Å; F59-Y100 AromaticContact CZ-CE1 3.86Å; F59-Y100 HydrophobicContact CZ-CE1 3.86Å; F59-Y100 AromaticContact CZ-CZ 3.84Å; F59-Y100 WeakPolarHBondContact CZ-OH 3.47Å
60	I	96.9	Very high	96.1	Very high	20 Å²	20	55.8 Å²	55.8	10%	0.103	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.3	-168.7	-57.6	168	0	0	0	108.9	Q39 K41 R58 Q63 E64 E65	Q39-I60 HydrophobicContact CB-CB 4.06Å; Q39-I60 HydrophobicContact CB-CG2 4.44Å; Q39-I60 PolarHBondContact N-O 3.32Å; Q39-I60 PolarHBondContact O-N 2.91Å; K41-I60 HydrophobicContact CB-CD1 4.04Å; R58-I60 HydrophobicContact CB-CD1 4.07Å; R58-I60 HydrophobicContact CB-CG1 4.03Å; I60-Q63 VanDerWaalsContact CG2-C 3.44Å; I60-E64 CarbonylContact C-O 3.56Å; I60-E64 WeakPolarHBondContact CA-O 3.31Å; I60-E65 HydrophobicContact CG1-CB 4.1Å; I60-E65 HydrophobicContact CG1-CG 4.23Å
61	Y	92.7	Very high	96.3	Very high	99 Å²	99	51.8 Å²	51.8	39%	0.388	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.1	176.5	-170.9	-97.6	0	0	0	109.7	F36 L37 Q63 E64	F36-Y61 HydrophobicContact CB-CE2 4.01Å; F36-Y61 WeakPolarHBondContact CB-OH 3.23Å; F36-Y61 AromaticContact CD2-CE2 3.91Å; F36-Y61 HydrophobicContact CD2-CE2 3.91Å; F36-Y61 HydrophobicContact CG-CE2 4.21Å; L37-Y61 CarbonylContact O-C 3.48Å; Y61-Q63 PolarHBondContact O-N 3.35Å; Y61-E64 PolarHBondContact N-O 3.47Å; Y61-E64 WeakPolarHBondContact O-CB 3.47Å; Y61-E64 PolarHBondContact O-N 3.37Å
62	N	90.9	Very high	96.6	Very high	84 Å²	84	50.3 Å²	50.3	45%	0.449	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	46	45.8	-173.8	-69	-23.3	0	0	0	112.8	F36 L37 E64	F36-N62 WeakPolarHBondContact CA-OD1 3.49Å; L37-N62 PolarHBondContact N-OD1 2.86Å; L37-N62 PolarHBondContact O-N 3.07Å; N62-E64 PolarHBondContact O-N 3.01Å
63	Q	92	Very high	96.8	Very high	160 Å²	160	51.3 Å²	51.3	75%	0.748	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.5	1.4	-178	-51.7	177.1	-36.7	0	0	115.6	L37 I60 Y61	L37-Q63 HydrophobicContact CD2-CG 4.25Å; I60-Q63 VanDerWaalsContact CG2-C 3.44Å; Y61-Q63 PolarHBondContact O-N 3.35Å
64	E	95.4	Very high	96.8	Very high	130 Å²	130	51.4 Å²	51.4	61%	0.607	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99	124.2	174.4	-170.8	176.5	174.5	0	0	110.8	I60 Y61 N62	I60-E64 CarbonylContact C-O 3.56Å; I60-E64 WeakPolarHBondContact CA-O 3.31Å; Y61-E64 PolarHBondContact N-O 3.47Å; Y61-E64 WeakPolarHBondContact O-CB 3.47Å; Y61-E64 PolarHBondContact O-N 3.37Å; N62-E64 PolarHBondContact O-N 3.01Å
65	E	97.9	Very high	96.9	Very high	32 Å²	32	52.1 Å²	52.1	15%	0.15	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	122.7	176	-172.3	-178	178.6	0	0	110.7	R58 F59 I60 R68 V79	R58-E65 HydrophobicContact CB-CG 4.13Å; R58-E65 WeakPolarHBondContact CB-OE1 3.37Å; R58-E65 VanDerWaalsContact CG-OE1 3.27Å; R58-E65 WeakPolarHBondContact CG-OE1 3.33Å; R58-E65 IonicContact CZ-OE2 3.05Å; R58-E65 IonicContact NH1-OE1 3.49Å; R58-E65 PolarHBondContact NH1-OE1 3.22Å; R58-E65 IonicContact NH1-OE2 2.66Å; R58-E65 PolarHBondContact NH1-OE2 2.89Å; F59-E65 WeakPolarHBondContact O-CA 3.24Å; I60-E65 HydrophobicContact CG1-CB 4.1Å; I60-E65 HydrophobicContact CG1-CG 4.23Å; E65-R68 WeakPolarHBondContact OE1-CB 3.47Å; E65-R68 IonicContact OE1-CZ 2.65Å; E65-R68 IonicContact OE1-NE 2.87Å; E65-R68 PolarHBondContact OE1-NE 3.08Å; E65-R68 IonicContact OE1-NH2 3.15Å; E65-R68 PolarHBondContact OE1-NH2 3.17Å; E65-R68 VanDerWaalsContact OE1-NH2 3.11Å; E65-R68 IonicContact OE2-CZ 3.36Å; E65-R68 IonicContact OE2-NE 2.65Å; E65-R68 IonicContact OE2-NH2 3.05Å; E65-R68 PolarHBondContact OE2-NH2 3.27Å; E65-V79 HydrophobicContact CG-CB 4.46Å; E65-V79 HydrophobicContact CG-CG2 4.03Å; E65-V79 WeakPolarHBondContact O-CG1 3.36Å
66	F	97	Very high	96.9	Very high	25 Å²	25	52.2 Å²	52.2	11%	0.11	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	-27.3	-178.2	65.6	-92	0	0	0	113.5	F59 V79 T80 G83 I86	F59-F66 HydrophobicContact CB-CD1 4.4Å; F59-F66 HydrophobicContact CB-CE1 3.75Å; F59-F66 HydrophobicContact CB-CE2 3.93Å; F59-F66 HydrophobicContact CB-CZ 3.5Å; F59-F66 VanDerWaalsContact CB-CZ 3.5Å; F59-F66 HydrophobicContact CG-CZ 4.47Å; F59-F66 VanDerWaalsContact O-CD1 3.3Å; F59-F66 WeakPolarHBondContact O-CD1 3.35Å; F59-F66 PolarHBondContact O-N 3.49Å; F66-V79 PolarHBondContact O-N 3.05Å; F66-T80 WeakPolarHBondContact CA-OG1 3.02Å; F66-T80 WeakPolarHBondContact CB-OG1 3.45Å; F66-T80 PolarHBondContact O-N 3.13Å; F66-T80 VanDerWaalsContact O-N 3.08Å; F66-G83 WeakPolarHBondContact O-CA 3.36Å; F66-I86 HydrophobicContact CD2-CD1 4.1Å; F66-I86 HydrophobicContact CE2-CD1 3.61Å; F66-I86 HydrophobicContact CE2-CG2 4.45Å
67	A	98.3	Very high	96.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	161.6	175.9	0	0	0	0	0	110.7	F59 L77	F59-A67 HydrophobicContact CB-CB 4.47Å; F59-A67 WeakPolarHBondContact CB-O 3.45Å; F59-A67 HydrophobicContact CD2-CB 4.27Å; F59-A67 WeakPolarHBondContact CD2-O 3.4Å; F59-A67 PolarHBondContact N-O 2.86Å; A67-L77 CarbonylContact C-O 3.53Å; A67-L77 WeakPolarHBondContact CA-O 3.01Å
68	R	98.3	Very high	96.9	Very high	62 Å²	62	56 Å²	56	23%	0.234	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	151	172.3	64.2	-179.7	69	156.4	7.6	112.8	V56 T57 E65 F76 L77 V79	V56-R68 HydrophobicContact CG1-CB 4.41Å; T57-R68 CarbonylContact O-C 3.47Å; T57-R68 WeakPolarHBondContact O-CA 3.27Å; T57-R68 WeakPolarHBondContact O-CB 3.29Å; E65-R68 WeakPolarHBondContact OE1-CB 3.47Å; E65-R68 IonicContact OE1-CZ 2.65Å; E65-R68 IonicContact OE1-NE 2.87Å; E65-R68 PolarHBondContact OE1-NE 3.08Å; E65-R68 IonicContact OE1-NH2 3.15Å; E65-R68 PolarHBondContact OE1-NH2 3.17Å; E65-R68 VanDerWaalsContact OE1-NH2 3.11Å; E65-R68 IonicContact OE2-CZ 3.36Å; E65-R68 IonicContact OE2-NE 2.65Å; E65-R68 IonicContact OE2-NH2 3.05Å; E65-R68 PolarHBondContact OE2-NH2 3.27Å; R68-F76 CarbonylContact O-C 3.55Å; R68-F76 VanDerWaalsContact O-CA 3.29Å; R68-F76 WeakPolarHBondContact O-CA 3.41Å; R68-L77 HydrophobicContact CG-CB 4.2Å; R68-L77 PolarHBondContact N-O 3.4Å; R68-L77 PolarHBondContact O-N 3.38Å; R68-V79 HydrophobicContact CG-CG2 4.18Å
69	F	98.6	Very high	96.9	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	136.2	155.7	176.8	-99.6	0	0	0	109.1	V56 T57 F76 L97 Y100 R101	V56-F69 CarbonylContact C-O 3.51Å; V56-F69 VanDerWaalsContact CA-O 3.32Å; V56-F69 WeakPolarHBondContact CA-O 3.45Å; T57-F69 PolarHBondContact N-O 3.03Å; T57-F69 PolarHBondContact O-N 3.39Å; F69-F76 HydrophobicContact CB-CD1 3.78Å; F69-F76 HydrophobicContact CB-CE1 3.7Å; F69-F76 HydrophobicContact CB-CG 4.5Å; F69-F76 HydrophobicContact CB-CZ 4.35Å; F69-F76 HydrophobicContact CD2-CD1 4.47Å; F69-F76 HydrophobicContact CD2-CD2 4.39Å; F69-F76 HydrophobicContact CD2-CE1 4.4Å; F69-F76 HydrophobicContact CD2-CE2 4.32Å; F69-F76 HydrophobicContact CD2-CG 4.47Å; F69-F76 HydrophobicContact CD2-CZ 4.32Å; F69-F76 HydrophobicContact CG-CE1 4.45Å; F69-L97 HydrophobicContact CD2-CD1 4.48Å; F69-L97 HydrophobicContact CE2-CD1 4.07Å; F69-Y100 HydrophobicContact CB-CD1 3.63Å; F69-Y100 HydrophobicContact CB-CE1 4.32Å; F69-Y100 HydrophobicContact CB-CG 4.4Å; F69-Y100 HydrophobicContact CD1-CD1 4.13Å; F69-Y100 HydrophobicContact CD2-CD1 4.48Å; F69-Y100 HydrophobicContact CD2-CG 4.47Å; F69-Y100 WeakPolarHBondContact CE1-O 3.38Å; F69-Y100 AromaticContact CG-CD1 3.83Å; F69-Y100 HydrophobicContact CG-CD1 3.83Å; F69-Y100 HydrophobicContact CG-CG 4.22Å; F69-R101 HydrophobicContact CE2-CG 4.2Å; F69-R101 HydrophobicContact CZ-CB 4.48Å; F69-R101 HydrophobicContact CZ-CG 3.97Å
70	D	98.5	Very high	96.9	Very high	21 Å²	21	57 Å²	57	11%	0.112	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	117.7	173.8	-174.9	-30.6	0	0	0	109	V72 F73 G74 K75 L77	D70-V72 PolarHBondContact O-N 3.15Å; D70-V72 VanDerWaalsContact OD1-CB 3.25Å; D70-V72 WeakPolarHBondContact OD1-CB 3.46Å; D70-V72 WeakPolarHBondContact OD1-CG2 3.49Å; D70-V72 PolarHBondContact OD1-N 3.36Å; D70-F73 HydrophobicContact CB-CD2 3.83Å; D70-F73 PolarHBondContact O-N 3.31Å; D70-F73 VanDerWaalsContact O-N 3.15Å; D70-G74 PolarHBondContact O-N 3.2Å; D70-K75 PolarHBondContact N-O 3.24Å; D70-L77 HydrophobicContact CB-CD1 4.07Å
71	S	97.4	Very high	96.9	Very high	25 Å²	25	62.1 Å²	62.1	18%	0.175	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-19.2	-175.2	76.2	0	0	0	0	113.6	W54 S55 F73 G74 V104	W54-S71 WeakPolarHBondContact CA-OG 3.47Å; W54-S71 WeakPolarHBondContact CB-OG 3.33Å; S55-S71 PolarHBondContact N-OG 3.36Å; S55-S71 WeakPolarHBondContact O-CB 3.49Å; S55-S71 PolarHBondContact O-N 3.32Å; S55-S71 PolarHBondContact O-OG 2.92Å; S55-S71 WeakPolarHBondContact OG-CB 3.11Å; S71-F73 PolarHBondContact O-N 2.85Å; S71-G74 PolarHBondContact O-N 2.83Å; S71-V104 VanDerWaalsContact OG-CG2 3.31Å; S71-V104 WeakPolarHBondContact OG-CG2 3.44Å
72	V	96.9	Very high	96.9	Very high	98 Å²	98	63 Å²	63	59%	0.594	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-37.3	173	179.6	0	0	0	0	109.8	W54 D70	W54-V72 HydrophobicContact CB-CG2 3.85Å; W54-V72 HydrophobicContact CG-CG2 3.94Å; D70-V72 PolarHBondContact O-N 3.15Å; D70-V72 VanDerWaalsContact OD1-CB 3.25Å; D70-V72 WeakPolarHBondContact OD1-CB 3.46Å; D70-V72 WeakPolarHBondContact OD1-CG2 3.49Å; D70-V72 PolarHBondContact OD1-N 3.36Å
73	F	97.9	Very high	97.2	Very high	125 Å²	125	59 Å²	59	55%	0.548	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-15.9	176.2	-56.1	-76.7	0	0	0	113.2	D70 S71 K75 L77	D70-F73 HydrophobicContact CB-CD2 3.83Å; D70-F73 PolarHBondContact O-N 3.31Å; D70-F73 VanDerWaalsContact O-N 3.15Å; S71-F73 PolarHBondContact O-N 2.85Å; F73-K75 HydrophobicContact CB-CG 4.15Å; F73-K75 PolarHBondContact O-N 3.12Å; F73-L77 HydrophobicContact CD2-CD1 3.64Å; F73-L77 HydrophobicContact CE2-CD1 3.98Å; F73-L77 HydrophobicContact CG-CD1 4.3Å
74	G	97.2	Very high	97.5	Very high	15 Å²	15	56.6 Å²	56.6	16%	0.155	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	26.8	179.5	0	0	0	0	0	113.8	D70 S71 R101	D70-G74 PolarHBondContact O-N 3.2Å; S71-G74 PolarHBondContact O-N 2.83Å; G74-R101 PolarHBondContact O-NE 2.94Å; G74-R101 PolarHBondContact O-NH2 2.96Å; G74-R101 VanDerWaalsContact O-NH2 3.13Å
75	K	98.2	Very high	97.6	Very high	101 Å²	101	54.1 Å²	54.1	44%	0.439	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	167	-177.2	69.6	177.6	-179.5	178.1	0	113	D70 F73 L77 N91 L97	D70-K75 PolarHBondContact N-O 3.24Å; F73-K75 HydrophobicContact CB-CG 4.15Å; F73-K75 PolarHBondContact O-N 3.12Å; K75-L77 HydrophobicContact CG-CD2 4.22Å; K75-N91 WeakPolarHBondContact CB-OD1 3.35Å; K75-L97 HydrophobicContact CB-CD1 4.5Å
76	F	98.6	Very high	97.5	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.018	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	141	171.5	-62.7	-89.4	0	0	0	111.1	F59 R68 F69 A87 L90 N91 L97 Y100	F59-F76 AromaticContact CE2-CD1 3.83Å; F59-F76 HydrophobicContact CE2-CD1 3.83Å; F59-F76 AromaticContact CE2-CE1 3.67Å; F59-F76 HydrophobicContact CE2-CE1 3.67Å; F59-F76 HydrophobicContact CZ-CD1 4.32Å; F59-F76 AromaticContact CZ-CE1 3.75Å; F59-F76 HydrophobicContact CZ-CE1 3.75Å; R68-F76 CarbonylContact O-C 3.55Å; R68-F76 VanDerWaalsContact O-CA 3.29Å; R68-F76 WeakPolarHBondContact O-CA 3.41Å; F69-F76 HydrophobicContact CB-CD1 3.78Å; F69-F76 HydrophobicContact CB-CE1 3.7Å; F69-F76 HydrophobicContact CB-CG 4.5Å; F69-F76 HydrophobicContact CB-CZ 4.35Å; F69-F76 HydrophobicContact CD2-CD1 4.47Å; F69-F76 HydrophobicContact CD2-CD2 4.39Å; F69-F76 HydrophobicContact CD2-CE1 4.4Å; F69-F76 HydrophobicContact CD2-CE2 4.32Å; F69-F76 HydrophobicContact CD2-CG 4.47Å; F69-F76 HydrophobicContact CD2-CZ 4.32Å; F69-F76 HydrophobicContact CG-CE1 4.45Å; F76-A87 HydrophobicContact CB-CB 4.04Å; F76-L90 HydrophobicContact CB-CB 4.41Å; F76-L90 HydrophobicContact CD1-CB 4.2Å; F76-L90 HydrophobicContact CD1-CD1 3.83Å; F76-L90 HydrophobicContact CD2-CB 3.54Å; F76-L90 HydrophobicContact CE1-CB 4.36Å; F76-L90 HydrophobicContact CE1-CD1 3.84Å; F76-L90 HydrophobicContact CE2-CB 3.73Å; F76-L90 HydrophobicContact CG-CB 3.79Å; F76-L90 HydrophobicContact CG-CD1 4.25Å; F76-L90 HydrophobicContact CZ-CB 4.14Å; F76-L90 HydrophobicContact CZ-CD1 4.26Å; F76-N91 WeakPolarHBondContact CD2-OD1 2.82Å; F76-N91 PolarHBondContact N-OD1 2.89Å; F76-N91 PolarHBondContact O-ND2 3.21Å; F76-L97 HydrophobicContact CD2-CD1 4.04Å; F76-L97 HydrophobicContact CE2-CD1 3.99Å; F76-Y100 AromaticContact CE1-CD1 3.89Å; F76-Y100 HydrophobicContact CE1-CD1 3.89Å; F76-Y100 HydrophobicContact CE1-CD2 4.36Å; F76-Y100 AromaticContact CE1-CE1 3.91Å; F76-Y100 HydrophobicContact CE1-CE1 3.91Å; F76-Y100 HydrophobicContact CE1-CE2 4.39Å; F76-Y100 HydrophobicContact CE1-CG 4.1Å; F76-Y100 AromaticContact CZ-CD1 3.87Å; F76-Y100 HydrophobicContact CZ-CD1 3.87Å; F76-Y100 AromaticContact CZ-CD2 3.64Å; F76-Y100 HydrophobicContact CZ-CD2 3.64Å; F76-Y100 HydrophobicContact CZ-CE1 4.14Å; F76-Y100 AromaticContact CZ-CE2 3.93Å; F76-Y100 HydrophobicContact CZ-CE2 3.93Å; F76-Y100 AromaticContact CZ-CG 3.59Å; F76-Y100 HydrophobicContact CZ-CG 3.59Å
77	L	98.5	Very high	97.6	Very high	49 Å²	49	54.7 Å²	54.7	26%	0.257	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	137.7	-179.8	-58	176.9	0	0	0	109.1	A67 R68 D70 F73 K75	A67-L77 CarbonylContact C-O 3.53Å; A67-L77 WeakPolarHBondContact CA-O 3.01Å; R68-L77 HydrophobicContact CG-CB 4.2Å; R68-L77 PolarHBondContact N-O 3.4Å; R68-L77 PolarHBondContact O-N 3.38Å; D70-L77 HydrophobicContact CB-CD1 4.07Å; F73-L77 HydrophobicContact CD2-CD1 3.64Å; F73-L77 HydrophobicContact CE2-CD1 3.98Å; F73-L77 HydrophobicContact CG-CD1 4.3Å; K75-L77 HydrophobicContact CG-CD2 4.22Å
78	A	98.2	Very high	97.6	Very high	48 Å²	48	60.2 Å²	60.2	40%	0.397	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	130.5	169.8	0	0	0	0	0	109.4	R84 A87	A78-R84 HydrophobicContact CB-CB 4.03Å; A78-A87 HydrophobicContact CB-CB 4.38Å
79	V	98.1	Very high	97.6	Very high	64 Å²	64	64 Å²	64	39%	0.388	33%	0.328	S	S	.	.	S	Bend	trans	-94.6	-32.6	170	-178.1	0	0	0	0	109.7	E65 F66 R68	E65-V79 HydrophobicContact CG-CB 4.46Å; E65-V79 HydrophobicContact CG-CG2 4.03Å; E65-V79 WeakPolarHBondContact O-CG1 3.36Å; F66-V79 PolarHBondContact O-N 3.05Å; R68-V79 HydrophobicContact CG-CG2 4.18Å
80	T	97.4	Very high	97.5	Very high	36 Å²	36	64.9 Å²	64.9	22%	0.221	33%	0.333	C	S	.	.	S	Bend	trans	-128.9	167.5	174.7	68.4	0	0	0	0	111.7	F66 L82 G83 R84	F66-T80 WeakPolarHBondContact CA-OG1 3.02Å; F66-T80 WeakPolarHBondContact CB-OG1 3.45Å; F66-T80 PolarHBondContact O-N 3.13Å; F66-T80 VanDerWaalsContact O-N 3.08Å; T80-L82 PolarHBondContact O-N 2.98Å; T80-G83 PolarHBondContact O-N 3.16Å; T80-R84 PolarHBondContact O-N 3.06Å
81	E	96.8	Very high	97.5	Very high	126 Å²	126	66.2 Å²	66.2	59%	0.589	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-36.4	175.4	-65.6	-60.7	128.8	0	0	112.5	G83 R84 P85	E81-G83 PolarHBondContact O-N 2.66Å; E81-R84 WeakPolarHBondContact O-CB 3.4Å; E81-R84 PolarHBondContact O-N 2.79Å; E81-R84 IonicContact OE1-CZ 3.79Å; E81-R84 IonicContact OE1-NH1 2.62Å; E81-R84 IonicContact OE1-NH2 2.82Å; E81-R84 PolarHBondContact OE1-NH2 2.89Å; E81-R84 IonicContact OE2-CZ 3.78Å; E81-R84 IonicContact OE2-NH1 3.1Å; E81-R84 PolarHBondContact OE2-NH1 3.02Å; E81-R84 IonicContact OE2-NH2 3.86Å; E81-R84 PolarHBondContact OE2-NH2 3.27Å; E81-P85 WeakPolarHBondContact O-CD 3.43Å
82	L	92.4	Very high	97.6	Very high	118 Å²	118	69.9 Å²	69.9	62%	0.618	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-38.3	175.1	179.8	66.3	0	0	0	111.5	T80	T80-L82 PolarHBondContact O-N 2.98Å
83	G	96.8	Very high	97.6	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-80.4	-14.3	179.9	0	0	0	0	0	115.1	F66 T80 E81 I86 A87	F66-G83 WeakPolarHBondContact O-CA 3.36Å; T80-G83 PolarHBondContact O-N 3.16Å; E81-G83 PolarHBondContact O-N 2.66Å; G83-I86 PolarHBondContact O-N 2.99Å; G83-A87 WeakPolarHBondContact O-CB 3.38Å; G83-A87 PolarHBondContact O-N 2.76Å
84	R	98.4	Very high	97.6	Very high	109 Å²	109	69.1 Å²	69.1	41%	0.411	35%	0.351	S	S	.	.	H	α-helix	trans	-56	-58.2	179.5	-177.3	-177.2	-65.5	139.9	8.9	113.5	A78 T80 E81 I86 A87 E88	A78-R84 HydrophobicContact CB-CB 4.03Å; T80-R84 PolarHBondContact O-N 3.06Å; E81-R84 WeakPolarHBondContact O-CB 3.4Å; E81-R84 PolarHBondContact O-N 2.79Å; E81-R84 IonicContact OE1-CZ 3.79Å; E81-R84 IonicContact OE1-NH1 2.62Å; E81-R84 IonicContact OE1-NH2 2.82Å; E81-R84 PolarHBondContact OE1-NH2 2.89Å; E81-R84 IonicContact OE2-CZ 3.78Å; E81-R84 IonicContact OE2-NH1 3.1Å; E81-R84 PolarHBondContact OE2-NH1 3.02Å; E81-R84 IonicContact OE2-NH2 3.86Å; E81-R84 PolarHBondContact OE2-NH2 3.27Å; R84-I86 PolarHBondContact O-N 2.98Å; R84-A87 PolarHBondContact O-N 2.85Å; R84-E88 HydrophobicContact CG-CG 4.38Å; R84-E88 VanDerWaalsContact CG-OE1 3.27Å; R84-E88 WeakPolarHBondContact CG-OE1 3.25Å; R84-E88 WeakPolarHBondContact O-CB 3.4Å; R84-E88 WeakPolarHBondContact O-CG 3.3Å; R84-E88 PolarHBondContact O-N 2.81Å
85	P	98.2	Very high	97.6	Very high	78 Å²	78	74.8 Å²	74.8	51%	0.506	38%	0.378	S	S	.	.	H	α-helix	trans	-61.4	-31.7	-179.1	24.4	-34.7	0	0	0	112	E81 Y89	E81-P85 WeakPolarHBondContact O-CD 3.43Å; P85-Y89 WeakPolarHBondContact O-CB 3.38Å; P85-Y89 PolarHBondContact O-N 2.91Å
86	I	96.3	Very high	97.5	Very high	66 Å²	66	73.6 Å²	73.6	34%	0.338	38%	0.375	S	S	.	.	H	α-helix	trans	-69.2	-48.1	177.7	-60.3	171.1	0	0	0	110.6	F66 G83 R84 Y89 L90	F66-I86 HydrophobicContact CD2-CD1 4.1Å; F66-I86 HydrophobicContact CE2-CD1 3.61Å; F66-I86 HydrophobicContact CE2-CG2 4.45Å; G83-I86 PolarHBondContact O-N 2.99Å; R84-I86 PolarHBondContact O-N 2.98Å; I86-Y89 PolarHBondContact O-N 2.89Å; I86-L90 HydrophobicContact CG2-CD1 3.87Å; I86-L90 HydrophobicContact CG2-CG 4.32Å; I86-L90 WeakPolarHBondContact O-CB 3.31Å; I86-L90 VanDerWaalsContact O-CG 3.3Å; I86-L90 WeakPolarHBondContact O-CG 3.35Å; I86-L90 PolarHBondContact O-N 2.83Å
87	A	98.4	Very high	97.4	Very high	4 Å²	4	74 Å²	74	3%	0.033	38%	0.377	C	S	.	.	H	α-helix	trans	-64.2	-43.1	178.8	0	0	0	0	0	111.4	F76 A78 G83 R84 L90 N91	F76-A87 HydrophobicContact CB-CB 4.04Å; A78-A87 HydrophobicContact CB-CB 4.38Å; G83-A87 WeakPolarHBondContact O-CB 3.38Å; G83-A87 PolarHBondContact O-N 2.76Å; R84-A87 PolarHBondContact O-N 2.85Å; A87-L90 PolarHBondContact O-N 3.03Å; A87-N91 WeakPolarHBondContact O-CB 3.21Å; A87-N91 PolarHBondContact O-N 3.05Å; A87-N91 PolarHBondContact O-ND2 2.79Å
88	E	98.3	Very high	97.4	Very high	115 Å²	115	74.4 Å²	74.4	54%	0.537	38%	0.379	S	S	.	.	H	α-helix	trans	-59.6	-48.1	174.1	-73.4	173.4	-176.3	0	0	111.1	R84 N91 T92	R84-E88 HydrophobicContact CG-CG 4.38Å; R84-E88 VanDerWaalsContact CG-OE1 3.27Å; R84-E88 WeakPolarHBondContact CG-OE1 3.25Å; R84-E88 WeakPolarHBondContact O-CB 3.4Å; R84-E88 WeakPolarHBondContact O-CG 3.3Å; R84-E88 PolarHBondContact O-N 2.81Å; E88-N91 PolarHBondContact O-N 2.8Å; E88-T92 WeakPolarHBondContact O-CG2 3.37Å; E88-T92 PolarHBondContact O-N 2.81Å
89	Y	98	Very high	97.3	Very high	142 Å²	142	76.1 Å²	76.1	56%	0.557	38%	0.382	S	S	*	.	H	α-helix	trans	-60.3	-49.5	175.8	177.3	-100.9	0	0	0	112.3	P85 I86 N91 T92 Q93	P85-Y89 WeakPolarHBondContact O-CB 3.38Å; P85-Y89 PolarHBondContact O-N 2.91Å; I86-Y89 PolarHBondContact O-N 2.89Å; Y89-N91 PolarHBondContact O-N 3.12Å; Y89-T92 PolarHBondContact O-N 3.01Å; Y89-T92 PolarHBondContact O-OG1 2.77Å; Y89-Q93 HydrophobicContact CD1-CG 4.24Å; Y89-Q93 HydrophobicContact CE1-CG 3.82Å; Y89-Q93 HydrophobicContact CE2-CG 4.49Å; Y89-Q93 WeakPolarHBondContact O-CG 3.12Å; Y89-Q93 PolarHBondContact O-N 3.04Å; Y89-Q93 PolarHBondContact OH-NE2 3.12Å
90	L	97.8	Very high	97.3	Very high	18 Å²	18	74.4 Å²	74.4	9%	0.094	37%	0.369	C	S	.	.	H	α-helix	trans	-62.9	-29.1	179.6	-72.1	174.2	0	0	0	112.5	F59 F76 I86 A87 T92 Q93 M96	F59-L90 HydrophobicContact CZ-CD1 4.29Å; F76-L90 HydrophobicContact CB-CB 4.41Å; F76-L90 HydrophobicContact CD1-CB 4.2Å; F76-L90 HydrophobicContact CD1-CD1 3.83Å; F76-L90 HydrophobicContact CD2-CB 3.54Å; F76-L90 HydrophobicContact CE1-CB 4.36Å; F76-L90 HydrophobicContact CE1-CD1 3.84Å; F76-L90 HydrophobicContact CE2-CB 3.73Å; F76-L90 HydrophobicContact CG-CB 3.79Å; F76-L90 HydrophobicContact CG-CD1 4.25Å; F76-L90 HydrophobicContact CZ-CB 4.14Å; F76-L90 HydrophobicContact CZ-CD1 4.26Å; I86-L90 HydrophobicContact CG2-CD1 3.87Å; I86-L90 HydrophobicContact CG2-CG 4.32Å; I86-L90 WeakPolarHBondContact O-CB 3.31Å; I86-L90 VanDerWaalsContact O-CG 3.3Å; I86-L90 WeakPolarHBondContact O-CG 3.35Å; I86-L90 PolarHBondContact O-N 2.83Å; A87-L90 PolarHBondContact O-N 3.03Å; L90-T92 VanDerWaalsContact C-N 3.31Å; L90-Q93 PolarHBondContact O-N 3.44Å; L90-M96 HydrophobicContact CD2-CE 3.91Å
91	N	98.5	Very high	97.3	Very high	49 Å²	49	78.2 Å²	78.2	26%	0.262	38%	0.379	S	S	.	.	H	α-helix	trans	-71.6	-22.2	173.3	-76.1	-37	0	0	0	113.6	K75 F76 A87 E88 Y89	K75-N91 WeakPolarHBondContact CB-OD1 3.35Å; F76-N91 WeakPolarHBondContact CD2-OD1 2.82Å; F76-N91 PolarHBondContact N-OD1 2.89Å; F76-N91 PolarHBondContact O-ND2 3.21Å; A87-N91 WeakPolarHBondContact O-CB 3.21Å; A87-N91 PolarHBondContact O-N 3.05Å; A87-N91 PolarHBondContact O-ND2 2.79Å; E88-N91 PolarHBondContact O-N 2.8Å; Y89-N91 PolarHBondContact O-N 3.12Å
92	T	98.2	Very high	97.3	Very high	102 Å²	102	74.2 Å²	74.2	63%	0.626	37%	0.367	S	S	*	.	H	α-helix	trans	-85	-18.5	172.8	70.8	0	0	0	0	112.8	E88 Y89 L90 K94	E88-T92 WeakPolarHBondContact O-CG2 3.37Å; E88-T92 PolarHBondContact O-N 2.81Å; Y89-T92 PolarHBondContact O-N 3.01Å; Y89-T92 PolarHBondContact O-OG1 2.77Å; L90-T92 VanDerWaalsContact C-N 3.31Å; T92-K94 PolarHBondContact O-N 3.37Å; T92-K94 VanDerWaalsContact O-N 3.16Å
93	Q	98.1	Very high	97.5	Very high	69 Å²	69	69 Å²	69	32%	0.322	34%	0.341	S	S	.	.			trans	-80.8	92.2	177.1	-62.6	-59.7	-46.8	0	0	110.8	Y89 L90 D95 M96 L97	Y89-Q93 HydrophobicContact CD1-CG 4.24Å; Y89-Q93 HydrophobicContact CE1-CG 3.82Å; Y89-Q93 HydrophobicContact CE2-CG 4.49Å; Y89-Q93 WeakPolarHBondContact O-CG 3.12Å; Y89-Q93 PolarHBondContact O-N 3.04Å; Y89-Q93 PolarHBondContact OH-NE2 3.12Å; L90-Q93 PolarHBondContact O-N 3.44Å; Q93-D95 PolarHBondContact O-N 3.03Å; Q93-M96 HydrophobicContact CB-CB 3.88Å; Q93-M96 HydrophobicContact CB-CG 4.11Å; Q93-M96 PolarHBondContact O-N 3.13Å; Q93-L97 WeakPolarHBondContact O-CB 3.46Å; Q93-L97 PolarHBondContact O-N 3.23Å
94	K	97.7	Very high	97.5	Very high	138 Å²	138	70 Å²	70	60%	0.6	35%	0.347	S	S	*	.	H	α-helix	trans	-51.1	-52.8	-176.2	178.5	172.4	169.5	51.2	0	113.4	T92 M96 L97 D98	T92-K94 PolarHBondContact O-N 3.37Å; T92-K94 VanDerWaalsContact O-N 3.16Å; K94-M96 VanDerWaalsContact C-N 3.32Å; K94-M96 PolarHBondContact O-N 2.83Å; K94-L97 PolarHBondContact O-N 3.39Å; K94-D98 WeakPolarHBondContact CG-OD2 3.35Å; K94-D98 IonicContact NZ-OD2 2.71Å; K94-D98 PolarHBondContact NZ-OD2 3.13Å; K94-D98 WeakPolarHBondContact O-CB 3.48Å; K94-D98 PolarHBondContact O-N 2.77Å
95	D	97.2	Very high	97.3	Very high	134 Å²	134	68.7 Å²	68.7	72%	0.717	35%	0.348	S	S	*	.	H	α-helix	trans	-65	-37.8	-175.2	-62.9	-21.5	0	0	0	112.1	Q93 N99	Q93-D95 PolarHBondContact O-N 3.03Å; D95-N99 WeakPolarHBondContact O-CB 3.3Å; D95-N99 PolarHBondContact O-N 2.89Å
96	M	95.1	Very high	97.2	Very high	77 Å²	77	70.8 Å²	70.8	38%	0.379	35%	0.346	S	S	.	.	H	α-helix	trans	-64.3	-52.2	173.6	-73.9	-72.6	-81.9	0	0	110.2	L90 Q93 K94 D98 N99 Y100	L90-M96 HydrophobicContact CD2-CE 3.91Å; Q93-M96 HydrophobicContact CB-CB 3.88Å; Q93-M96 HydrophobicContact CB-CG 4.11Å; Q93-M96 PolarHBondContact O-N 3.13Å; K94-M96 VanDerWaalsContact C-N 3.32Å; K94-M96 PolarHBondContact O-N 2.83Å; M96-D98 VanDerWaalsContact C-N 3.31Å; M96-D98 PolarHBondContact O-N 2.9Å; M96-N99 PolarHBondContact O-N 2.86Å; M96-Y100 HydrophobicContact CE-CE2 4.11Å; M96-Y100 VanDerWaalsContact O-CD2 3.23Å; M96-Y100 WeakPolarHBondContact O-CD2 3.43Å; M96-Y100 PolarHBondContact O-N 2.83Å
97	L	97.9	Very high	97.2	Very high	13 Å²	13	67.8 Å²	67.8	7%	0.068	33%	0.331	C	S	.	.	H	α-helix	trans	-59.1	-42	-179.2	-177.7	57.8	0	0	0	112.3	F69 K75 F76 Q93 K94 Y100 R101	F69-L97 HydrophobicContact CD2-CD1 4.48Å; F69-L97 HydrophobicContact CE2-CD1 4.07Å; K75-L97 HydrophobicContact CB-CD1 4.5Å; F76-L97 HydrophobicContact CD2-CD1 4.04Å; F76-L97 HydrophobicContact CE2-CD1 3.99Å; Q93-L97 WeakPolarHBondContact O-CB 3.46Å; Q93-L97 PolarHBondContact O-N 3.23Å; K94-L97 PolarHBondContact O-N 3.39Å; L97-Y100 PolarHBondContact O-N 2.82Å; L97-R101 VanDerWaalsContact O-CG 3.28Å; L97-R101 WeakPolarHBondContact O-CG 3.5Å; L97-R101 PolarHBondContact O-N 3.05Å
98	D	97.7	Very high	97.1	Very high	56 Å²	56	71.8 Å²	71.8	30%	0.299	35%	0.345	S	S	.	.	H	α-helix	trans	-68.4	-38.9	178.6	-69.9	-16.7	0	0	0	111.8	K94 M96 Y100 R101 A102	K94-D98 WeakPolarHBondContact CG-OD2 3.35Å; K94-D98 IonicContact NZ-OD2 2.71Å; K94-D98 PolarHBondContact NZ-OD2 3.13Å; K94-D98 WeakPolarHBondContact O-CB 3.48Å; K94-D98 PolarHBondContact O-N 2.77Å; M96-D98 VanDerWaalsContact C-N 3.31Å; M96-D98 PolarHBondContact O-N 2.9Å; D98-Y100 PolarHBondContact O-N 2.95Å; D98-R101 PolarHBondContact O-N 2.83Å; D98-R101 IonicContact OD1-NH1 2.65Å; D98-R101 PolarHBondContact OD1-NH1 2.95Å; D98-R101 VanDerWaalsContact OD1-NH1 3.09Å; D98-A102 WeakPolarHBondContact O-CB 3.24Å; D98-A102 PolarHBondContact O-N 2.92Å
99	N	96.4	Very high	97	Very high	85 Å²	85	71.8 Å²	71.8	46%	0.455	35%	0.349	S	S	.	.	H	α-helix	trans	-62.3	-40.4	173.1	177.6	46.2	0	0	0	112.7	D95 M96 A102 S103 R106	D95-N99 WeakPolarHBondContact O-CB 3.3Å; D95-N99 PolarHBondContact O-N 2.89Å; M96-N99 PolarHBondContact O-N 2.86Å; N99-A102 PolarHBondContact O-N 2.85Å; N99-S103 PolarHBondContact O-N 2.86Å; N99-R106 PolarHBondContact O-NH2 3.43Å
100	Y	97.6	Very high	96.8	Very high	28 Å²	28	68.9 Å²	68.9	11%	0.11	34%	0.343	C	S	.	.	H	α-helix	trans	-71	-37	176.1	-83	-105.2	0	0	0	111.7	T57 F59 F69 F76 M96 L97 D98 A102 S103	T57-Y100 HydrophobicContact CG2-CD1 4.46Å; T57-Y100 HydrophobicContact CG2-CE1 3.69Å; F59-Y100 HydrophobicContact CE2-CE1 4.41Å; F59-Y100 AromaticContact CZ-CE1 3.86Å; F59-Y100 HydrophobicContact CZ-CE1 3.86Å; F59-Y100 AromaticContact CZ-CZ 3.84Å; F59-Y100 WeakPolarHBondContact CZ-OH 3.47Å; F69-Y100 HydrophobicContact CB-CD1 3.63Å; F69-Y100 HydrophobicContact CB-CE1 4.32Å; F69-Y100 HydrophobicContact CB-CG 4.4Å; F69-Y100 HydrophobicContact CD1-CD1 4.13Å; F69-Y100 HydrophobicContact CD2-CD1 4.48Å; F69-Y100 HydrophobicContact CD2-CG 4.47Å; F69-Y100 WeakPolarHBondContact CE1-O 3.38Å; F69-Y100 AromaticContact CG-CD1 3.83Å; F69-Y100 HydrophobicContact CG-CD1 3.83Å; F69-Y100 HydrophobicContact CG-CG 4.22Å; F76-Y100 AromaticContact CE1-CD1 3.89Å; F76-Y100 HydrophobicContact CE1-CD1 3.89Å; F76-Y100 HydrophobicContact CE1-CD2 4.36Å; F76-Y100 AromaticContact CE1-CE1 3.91Å; F76-Y100 HydrophobicContact CE1-CE1 3.91Å; F76-Y100 HydrophobicContact CE1-CE2 4.39Å; F76-Y100 HydrophobicContact CE1-CG 4.1Å; F76-Y100 AromaticContact CZ-CD1 3.87Å; F76-Y100 HydrophobicContact CZ-CD1 3.87Å; F76-Y100 AromaticContact CZ-CD2 3.64Å; F76-Y100 HydrophobicContact CZ-CD2 3.64Å; F76-Y100 HydrophobicContact CZ-CE1 4.14Å; F76-Y100 AromaticContact CZ-CE2 3.93Å; F76-Y100 HydrophobicContact CZ-CE2 3.93Å; F76-Y100 AromaticContact CZ-CG 3.59Å; F76-Y100 HydrophobicContact CZ-CG 3.59Å; M96-Y100 HydrophobicContact CE-CE2 4.11Å; M96-Y100 VanDerWaalsContact O-CD2 3.23Å; M96-Y100 WeakPolarHBondContact O-CD2 3.43Å; M96-Y100 PolarHBondContact O-N 2.83Å; L97-Y100 PolarHBondContact O-N 2.82Å; D98-Y100 PolarHBondContact O-N 2.95Å; Y100-A102 VanDerWaalsContact C-N 3.3Å; Y100-A102 PolarHBondContact O-N 2.95Å; Y100-S103 WeakPolarHBondContact O-CB 3.2Å; Y100-S103 PolarHBondContact O-N 3.03Å; Y100-S103 PolarHBondContact O-OG 3.48Å
101	R	97.7	Very high	96.7	Very high	115 Å²	115	70.5 Å²	70.5	43%	0.434	35%	0.348	S	S	.	.	H	α-helix	trans	-59.5	-40.5	170.7	-74.5	167.9	175.4	162.6	-5.1	112.4	F69 G74 L97 D98 S103 V104	F69-R101 HydrophobicContact CE2-CG 4.2Å; F69-R101 HydrophobicContact CZ-CB 4.48Å; F69-R101 HydrophobicContact CZ-CG 3.97Å; G74-R101 PolarHBondContact O-NE 2.94Å; G74-R101 PolarHBondContact O-NH2 2.96Å; G74-R101 VanDerWaalsContact O-NH2 3.13Å; L97-R101 VanDerWaalsContact O-CG 3.28Å; L97-R101 WeakPolarHBondContact O-CG 3.5Å; L97-R101 PolarHBondContact O-N 3.05Å; D98-R101 PolarHBondContact O-N 2.83Å; D98-R101 IonicContact OD1-NH1 2.65Å; D98-R101 PolarHBondContact OD1-NH1 2.95Å; D98-R101 VanDerWaalsContact OD1-NH1 3.09Å; R101-S103 PolarHBondContact O-N 2.02Å; R101-S103 VanDerWaalsContact O-N 3.08Å; R101-V104 PolarHBondContact O-N 2.9Å
102	A	97.3	Very high	96.5	Very high	42 Å²	42	71.7 Å²	71.7	35%	0.347	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-5.4	175.2	0	0	0	0	0	114	D98 N99 Y100 V104 D105 R106	D98-A102 WeakPolarHBondContact O-CB 3.24Å; D98-A102 PolarHBondContact O-N 2.92Å; N99-A102 PolarHBondContact O-N 2.85Å; Y100-A102 VanDerWaalsContact C-N 3.3Å; Y100-A102 PolarHBondContact O-N 2.95Å; A102-V104 VanDerWaalsContact C-N 3.28Å; A102-V104 PolarHBondContact O-N 3.41Å; A102-D105 PolarHBondContact O-N 3.28Å; A102-R106 PolarHBondContact O-N 3.35Å
103	S	95.8	Very high	96.3	Very high	9 Å²	9	72.6 Å²	72.6	6%	0.063	36%	0.355	C	S	.	.	H	α-helix	trans	-65.3	-29	175.1	65.9	0	0	0	0	113.4	S55 N99 Y100 R101 D105 R106 C107	S55-S103 WeakPolarHBondContact CB-OG 3.34Å; S55-S103 PolarHBondContact OG-OG 2.89Å; N99-S103 PolarHBondContact O-N 2.86Å; Y100-S103 WeakPolarHBondContact O-CB 3.2Å; Y100-S103 PolarHBondContact O-N 3.03Å; Y100-S103 PolarHBondContact O-OG 3.48Å; R101-S103 PolarHBondContact O-N 2.02Å; R101-S103 VanDerWaalsContact O-N 3.08Å; S103-D105 PolarHBondContact O-N 2.65Å; S103-R106 WeakPolarHBondContact O-CB 3.22Å; S103-R106 PolarHBondContact O-N 3.48Å; S103-C107 PolarHBondContact O-N 3.08Å; S103-C107 PolarHBondContact O-SG 2.9Å
104	V	96.3	Very high	96.1	Very high	20 Å²	20	72.1 Å²	72.1	12%	0.121	36%	0.357	C	S	.	.	H	α-helix	trans	-62.1	-45.3	176.8	-178.7	0	0	0	0	110.8	S71 R101 A102 R106 C107 R108	S71-V104 VanDerWaalsContact OG-CG2 3.31Å; S71-V104 WeakPolarHBondContact OG-CG2 3.44Å; R101-V104 PolarHBondContact O-N 2.9Å; A102-V104 VanDerWaalsContact C-N 3.28Å; A102-V104 PolarHBondContact O-N 3.41Å; V104-R106 VanDerWaalsContact C-N 3.34Å; V104-R106 PolarHBondContact O-N 2.89Å; V104-C107 WeakPolarHBondContact O-CB 3.35Å; V104-C107 PolarHBondContact O-N 2.78Å; V104-R108 WeakPolarHBondContact O-CG 3.3Å; V104-R108 PolarHBondContact O-N 3.3Å
105	D	96	Very high	95.9	Very high	82 Å²	82	68.8 Å²	68.8	44%	0.439	35%	0.345	S	S	.	.	H	α-helix	trans	-68.9	-35.3	179.3	-65.4	-31.3	0	0	0	111.5	A102 S103 C107 R108 N109	A102-D105 PolarHBondContact O-N 3.28Å; S103-D105 PolarHBondContact O-N 2.65Å; D105-C107 PolarHBondContact O-N 3Å; D105-R108 PolarHBondContact O-N 2.82Å; D105-R108 IonicContact OD1-NH1 3.11Å; D105-R108 PolarHBondContact OD1-NH1 3.4Å; D105-N109 WeakPolarHBondContact O-CB 3.09Å; D105-N109 PolarHBondContact O-N 2.89Å; D105-N109 PolarHBondContact O-ND2 2.81Å
106	R	95.4	Very high	95.7	Very high	122 Å²	122	66.9 Å²	66.9	46%	0.46	33%	0.334	S	S	.	.	H	α-helix	trans	-59	-45	169.1	-69.8	-178.3	-81.3	150.6	-9.3	111.6	N99 A102 S103 V104 N109 N110	N99-R106 PolarHBondContact O-NH2 3.43Å; A102-R106 PolarHBondContact O-N 3.35Å; S103-R106 WeakPolarHBondContact O-CB 3.22Å; S103-R106 PolarHBondContact O-N 3.48Å; V104-R106 VanDerWaalsContact C-N 3.34Å; V104-R106 PolarHBondContact O-N 2.89Å; R106-N109 PolarHBondContact O-N 3.31Å; R106-N110 PolarHBondContact O-N 3.43Å; R106-N110 VanDerWaalsContact O-N 3.17Å; R106-N110 PolarHBondContact O-ND2 2.82Å
107	C	96.6	Very high	95.6	Very high	4 Å²	4	69 Å²	69	3%	0.027	34%	0.341	C	S	.	.	H	α-helix	trans	-60.9	-47	175.3	-65.7	0	0	0	0	111.7	C44 Y46 V53 S103 V104 D105 N109 N110 Y111	C44-C107 HydrophobicContact CB-CB 3.62Å; C44-C107 WeakPolarHBondContact CB-SG 3.36Å; C44-C107 WeakPolarHBondContact SG-CB 3.04Å; C44-C107 CovalentContact SG-SG 2.03Å; C44-C107 PolarHBondContact SG-SG 3.49Å; Y46-C107 HydrophobicContact CE1-CB 4.39Å; Y46-C107 VanDerWaalsContact CE1-O 3.32Å; Y46-C107 WeakPolarHBondContact CE1-O 3.48Å; Y46-C107 PolarHBondContact OH-O 2.91Å; V53-C107 HydrophobicContact CG1-CB 3.7Å; S103-C107 PolarHBondContact O-N 3.08Å; S103-C107 PolarHBondContact O-SG 2.9Å; V104-C107 WeakPolarHBondContact O-CB 3.35Å; V104-C107 PolarHBondContact O-N 2.78Å; D105-C107 PolarHBondContact O-N 3Å; C107-N109 PolarHBondContact O-N 2.92Å; C107-N110 PolarHBondContact O-N 2.74Å; C107-Y111 PolarHBondContact O-N 3.23Å
108	R	96.1	Very high	95.3	Very high	87 Å²	87	70.9 Å²	70.9	33%	0.328	35%	0.351	S	S	.	.	H	α-helix	trans	-60.3	-44.4	178.8	-73.4	178.5	178.2	142.7	-3	112.3	R50 V53 V104 D105 N110 Y111	R50-R108 PolarHBondContact O-NE 3.46Å; V53-R108 HydrophobicContact CB-CG 4.09Å; V53-R108 HydrophobicContact CG1-CG 4.37Å; V53-R108 HydrophobicContact CG2-CG 4.12Å; V104-R108 WeakPolarHBondContact O-CG 3.3Å; V104-R108 PolarHBondContact O-N 3.3Å; D105-R108 PolarHBondContact O-N 2.82Å; D105-R108 IonicContact OD1-NH1 3.11Å; D105-R108 PolarHBondContact OD1-NH1 3.4Å; R108-N110 VanDerWaalsContact C-N 3.26Å; R108-N110 PolarHBondContact O-N 2.91Å; R108-Y111 VanDerWaalsContact O-CB 3.27Å; R108-Y111 WeakPolarHBondContact O-CB 3.15Å; R108-Y111 PolarHBondContact O-N 3.4Å
109	N	95	Very high	95.1	Very high	115 Å²	115	70.4 Å²	70.4	62%	0.615	35%	0.352	S	S	*	.	H	α-helix	trans	-68	-28.2	-178.3	-69.7	-17.5	0	0	0	112.5	D105 R106 C107 Y111	D105-N109 WeakPolarHBondContact O-CB 3.09Å; D105-N109 PolarHBondContact O-N 2.89Å; D105-N109 PolarHBondContact O-ND2 2.81Å; R106-N109 PolarHBondContact O-N 3.31Å; C107-N109 PolarHBondContact O-N 2.92Å; N109-Y111 VanDerWaalsContact C-N 3.35Å
110	N	94.9	Very high	94.9	Very high	82 Å²	82	72.6 Å²	72.6	44%	0.439	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-5.9	176	-71.7	-27.4	0	0	0	114.1	R106 C107 R108 D112 L113 V114	R106-N110 PolarHBondContact O-N 3.43Å; R106-N110 VanDerWaalsContact O-N 3.17Å; R106-N110 PolarHBondContact O-ND2 2.82Å; C107-N110 PolarHBondContact O-N 2.74Å; R108-N110 VanDerWaalsContact C-N 3.26Å; R108-N110 PolarHBondContact O-N 2.91Å; N110-D112 PolarHBondContact O-N 2.87Å; N110-L113 PolarHBondContact O-N 3.02Å; N110-V114 WeakPolarHBondContact O-CG2 3.43Å; N110-V114 PolarHBondContact O-N 3.22Å; N110-V114 VanDerWaalsContact O-N 3.1Å
111	Y	95.8	Very high	94.8	Very high	52 Å²	52	74 Å²	74	20%	0.204	37%	0.372	C	S	.	.	H	α-helix	trans	-53.1	-51.2	-173.3	175.6	-95.7	0	0	0	112.6	Y46 R50 C107 R108 N109 L113 V114 D115	Y46-Y111 AromaticContact CD1-CD2 3.52Å; Y46-Y111 HydrophobicContact CD1-CD2 3.52Å; Y46-Y111 HydrophobicContact CD1-CE2 4.25Å; Y46-Y111 HydrophobicContact CD1-CG 4.49Å; Y46-Y111 AromaticContact CE1-CD2 3.86Å; Y46-Y111 HydrophobicContact CE1-CD2 3.86Å; Y46-Y111 HydrophobicContact CE1-CG 4.49Å; Y46-Y111 HydrophobicContact CG-CD2 4.1Å; Y46-Y111 HydrophobicContact CG-CE2 4.48Å; R50-Y111 HydrophobicContact CG-CD1 3.75Å; R50-Y111 HydrophobicContact CG-CG 3.78Å; C107-Y111 PolarHBondContact O-N 3.23Å; R108-Y111 VanDerWaalsContact O-CB 3.27Å; R108-Y111 WeakPolarHBondContact O-CB 3.15Å; R108-Y111 PolarHBondContact O-N 3.4Å; N109-Y111 VanDerWaalsContact C-N 3.35Å; Y111-L113 VanDerWaalsContact C-N 3.31Å; Y111-L113 PolarHBondContact O-N 2.83Å; Y111-V114 CarbonylContact O-C 3.6Å; Y111-V114 PolarHBondContact O-N 2.71Å; Y111-V114 VanDerWaalsContact O-N 3.16Å; Y111-D115 HydrophobicContact CD1-CB 4.4Å; Y111-D115 HydrophobicContact CE1-CB 3.93Å; Y111-D115 VanDerWaalsContact O-CB 3.32Å; Y111-D115 WeakPolarHBondContact O-CB 3.22Å; Y111-D115 PolarHBondContact O-N 2.62Å; Y111-D115 PolarHBondContact OH-OD1 2.85Å
112	D	93.7	Very high	94.8	Very high	73 Å²	73	73.1 Å²	73.1	39%	0.39	37%	0.372	S	S	.	.	H	α-helix	trans	-62.9	-38.6	-175.3	-67.1	9.4	0	0	0	112.4	R50 N110 V114 D115 I116	R50-D112 IonicContact CZ-OD1 2.92Å; R50-D112 IonicContact CZ-OD2 3.33Å; R50-D112 IonicContact NE-OD1 3.21Å; R50-D112 PolarHBondContact NE-OD1 3.45Å; R50-D112 VanDerWaalsContact NE-OD1 3.1Å; R50-D112 IonicContact NH2-OD1 3.09Å; R50-D112 PolarHBondContact NH2-OD1 3.43Å; R50-D112 IonicContact NH2-OD2 2.78Å; R50-D112 PolarHBondContact NH2-OD2 2.99Å; N110-D112 PolarHBondContact O-N 2.87Å; D112-V114 VanDerWaalsContact C-N 3.35Å; D112-D115 PolarHBondContact O-N 3.35Å; D112-I116 WeakPolarHBondContact O-CB 3.35Å; D112-I116 WeakPolarHBondContact O-CD1 3.36Å; D112-I116 WeakPolarHBondContact O-CG1 3.26Å; D112-I116 PolarHBondContact O-N 2.75Å
113	L	94.6	Very high	94.8	Very high	122 Å²	122	72.4 Å²	72.4	64%	0.639	37%	0.366	S	S	*	.	H	α-helix	trans	-64.5	-43.9	177.7	-67.8	176.8	0	0	0	110.8	N110 Y111 F117	N110-L113 PolarHBondContact O-N 3.02Å; Y111-L113 VanDerWaalsContact C-N 3.31Å; Y111-L113 PolarHBondContact O-N 2.83Å; L113-F117 WeakPolarHBondContact O-CB 3.49Å; L113-F117 PolarHBondContact O-N 2.89Å; L113-F117 VanDerWaalsContact O-N 3.09Å
114	V	92.8	Very high	94.9	Very high	59 Å²	59	78.2 Å²	78.2	36%	0.358	39%	0.39	S	S	.	.	H	α-helix	trans	-64.7	-48.4	175.9	175.8	0	0	0	0	110	N110 Y111 D112 I116 F117 M118	N110-V114 WeakPolarHBondContact O-CG2 3.43Å; N110-V114 PolarHBondContact O-N 3.22Å; N110-V114 VanDerWaalsContact O-N 3.1Å; Y111-V114 CarbonylContact O-C 3.6Å; Y111-V114 PolarHBondContact O-N 2.71Å; Y111-V114 VanDerWaalsContact O-N 3.16Å; D112-V114 VanDerWaalsContact C-N 3.35Å; V114-I116 PolarHBondContact O-N 3.27Å; V114-F117 WeakPolarHBondContact O-CB 3.29Å; V114-F117 PolarHBondContact O-N 3.49Å; V114-F117 VanDerWaalsContact O-N 3.1Å; V114-M118 HydrophobicContact CG1-CG 3.95Å; V114-M118 VanDerWaalsContact O-CG 3.23Å; V114-M118 WeakPolarHBondContact O-CG 3.47Å; V114-M118 PolarHBondContact O-N 2.7Å
115	D	93.3	Very high	95	Very high	67 Å²	67	78 Å²	78	36%	0.358	39%	0.388	S	S	.	.	H	α-helix	trans	-60.4	-42.5	-178.8	-174.8	67.7	0	0	0	112.4	Y111 D112 M118 S119	Y111-D115 HydrophobicContact CD1-CB 4.4Å; Y111-D115 HydrophobicContact CE1-CB 3.93Å; Y111-D115 VanDerWaalsContact O-CB 3.32Å; Y111-D115 WeakPolarHBondContact O-CB 3.22Å; Y111-D115 PolarHBondContact O-N 2.62Å; Y111-D115 PolarHBondContact OH-OD1 2.85Å; D112-D115 PolarHBondContact O-N 3.35Å; D115-M118 PolarHBondContact O-N 2.91Å; D115-S119 WeakPolarHBondContact O-CB 3.39Å; D115-S119 PolarHBondContact O-N 2.82Å; D115-S119 PolarHBondContact O-OG 2.79Å
116	I	94.5	Very high	95.1	Very high	95 Å²	95	80.2 Å²	80.2	49%	0.487	40%	0.395	S	S	.	.	H	α-helix	trans	-60.5	-47.6	173	-71.9	165.8	0	0	0	110.2	D112 V114 S119 N120	D112-I116 WeakPolarHBondContact O-CB 3.35Å; D112-I116 WeakPolarHBondContact O-CD1 3.36Å; D112-I116 WeakPolarHBondContact O-CG1 3.26Å; D112-I116 PolarHBondContact O-N 2.75Å; V114-I116 PolarHBondContact O-N 3.27Å; I116-S119 PolarHBondContact O-N 3.27Å; I116-N120 WeakPolarHBondContact CG2-ND2 3.34Å; I116-N120 WeakPolarHBondContact O-CB 3.39Å; I116-N120 PolarHBondContact O-N 3.17Å; I116-N120 PolarHBondContact O-ND2 3.11Å
117	F	92.8	Very high	95.3	Very high	120 Å²	120	75.5 Å²	75.5	53%	0.526	38%	0.379	S	S	.	.	H	α-helix	trans	-61.7	-49.7	179.4	-176.6	-100.9	0	0	0	111.5	L113 V114 S119 N120 L121	L113-F117 WeakPolarHBondContact O-CB 3.49Å; L113-F117 PolarHBondContact O-N 2.89Å; L113-F117 VanDerWaalsContact O-N 3.09Å; V114-F117 WeakPolarHBondContact O-CB 3.29Å; V114-F117 PolarHBondContact O-N 3.49Å; V114-F117 VanDerWaalsContact O-N 3.1Å; F117-S119 VanDerWaalsContact C-N 3.31Å; F117-S119 PolarHBondContact O-N 2.95Å; F117-N120 PolarHBondContact O-N 3.24Å; F117-L121 HydrophobicContact CD1-CD1 3.83Å; F117-L121 HydrophobicContact CD1-CG 4.5Å; F117-L121 HydrophobicContact CE1-CD1 3.35Å; F117-L121 HydrophobicContact CE1-CG 4.2Å; F117-L121 HydrophobicContact CZ-CD1 3.85Å; F117-L121 HydrophobicContact CZ-CG 4.36Å; F117-L121 WeakPolarHBondContact O-CG 3.45Å; F117-L121 PolarHBondContact O-N 2.71Å; F117-L121 VanDerWaalsContact O-N 3.08Å
118	M	92	Very high	95.4	Very high	54 Å²	54	78.9 Å²	78.9	27%	0.266	40%	0.4	S	S	.	.	H	α-helix	trans	-63.6	-36.6	179	-60.5	-40.4	-66.8	0	0	112.1	V114 D115 L121 Y151	V114-M118 HydrophobicContact CG1-CG 3.95Å; V114-M118 VanDerWaalsContact O-CG 3.23Å; V114-M118 WeakPolarHBondContact O-CG 3.47Å; V114-M118 PolarHBondContact O-N 2.7Å; D115-M118 PolarHBondContact O-N 2.91Å; M118-L121 HydrophobicContact CE-CD1 4.45Å; M118-L121 PolarHBondContact O-N 2.72Å; M118-L121 HydrophobicContact SD-CD1 4.45Å; M118-Y151 HydrophobicContact CE-CE1 3.83Å; M118-Y151 WeakPolarHBondContact CE-OH 3.49Å
119	S	92	Very high	95.4	Very high	46 Å²	46	75.8 Å²	75.8	32%	0.322	39%	0.391	S	S	.	.	H	α-helix	trans	-67.5	-39	176.5	-71.5	0	0	0	0	112.4	D115 I116 F117 L121 K122	D115-S119 WeakPolarHBondContact O-CB 3.39Å; D115-S119 PolarHBondContact O-N 2.82Å; D115-S119 PolarHBondContact O-OG 2.79Å; I116-S119 PolarHBondContact O-N 3.27Å; F117-S119 VanDerWaalsContact C-N 3.31Å; F117-S119 PolarHBondContact O-N 2.95Å; S119-L121 VanDerWaalsContact C-N 3.29Å; S119-L121 PolarHBondContact O-N 2.94Å; S119-K122 WeakPolarHBondContact O-CB 3.49Å; S119-K122 WeakPolarHBondContact O-CG 3.24Å; S119-K122 PolarHBondContact O-N 3.49Å
120	N	93.8	Very high	95.3	Very high	130 Å²	130	75 Å²	75	70%	0.695	38%	0.379	S	S	*	.	H	α-helix	trans	-70.3	-25.2	175.7	-75.8	-55.7	0	0	0	112.9	I116 F117 K122	I116-N120 WeakPolarHBondContact CG2-ND2 3.34Å; I116-N120 WeakPolarHBondContact O-CB 3.39Å; I116-N120 PolarHBondContact O-N 3.17Å; I116-N120 PolarHBondContact O-ND2 3.11Å; F117-N120 PolarHBondContact O-N 3.24Å; N120-K122 VanDerWaalsContact C-N 3.26Å; N120-K122 PolarHBondContact O-N 2.78Å
121	L	94.8	Very high	95.2	Very high	58 Å²	58	72.8 Å²	72.8	30%	0.304	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-7.3	174.3	-74.7	178.8	0	0	0	114.1	F117 M118 S119 A123 Y151	F117-L121 HydrophobicContact CD1-CD1 3.83Å; F117-L121 HydrophobicContact CD1-CG 4.5Å; F117-L121 HydrophobicContact CE1-CD1 3.35Å; F117-L121 HydrophobicContact CE1-CG 4.2Å; F117-L121 HydrophobicContact CZ-CD1 3.85Å; F117-L121 HydrophobicContact CZ-CG 4.36Å; F117-L121 WeakPolarHBondContact O-CG 3.45Å; F117-L121 PolarHBondContact O-N 2.71Å; F117-L121 VanDerWaalsContact O-N 3.08Å; M118-L121 HydrophobicContact CE-CD1 4.45Å; M118-L121 PolarHBondContact O-N 2.72Å; M118-L121 HydrophobicContact SD-CD1 4.45Å; S119-L121 VanDerWaalsContact C-N 3.29Å; S119-L121 PolarHBondContact O-N 2.94Å; L121-A123 PolarHBondContact O-N 3.3Å; L121-Y151 HydrophobicContact CB-CD1 4.19Å; L121-Y151 HydrophobicContact CB-CE1 4.36Å
122	K	96.7	Very high	94.9	Very high	97 Å²	97	73.6 Å²	73.6	42%	0.422	38%	0.383	S	S	.	.			trans	-56.9	117	179.7	-75	178.9	-179.1	177.5	0	110.7	S119 N120 Y151	S119-K122 WeakPolarHBondContact O-CB 3.49Å; S119-K122 WeakPolarHBondContact O-CG 3.24Å; S119-K122 PolarHBondContact O-N 3.49Å; N120-K122 VanDerWaalsContact C-N 3.26Å; N120-K122 PolarHBondContact O-N 2.78Å; K122-Y151 WeakPolarHBondContact CA-O 3.33Å
123	A	97.7	Very high	94.5	Very high	26 Å²	26	74.9 Å²	74.9	22%	0.215	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-107.9	135.6	-179.9	0	0	0	0	0	110.3	L121 D149 Y151 T182 H205 S207	L121-A123 PolarHBondContact O-N 3.3Å; A123-D149 WeakPolarHBondContact CB-O 3.48Å; A123-Y151 PolarHBondContact N-O 3.23Å; A123-Y151 PolarHBondContact O-N 2.96Å; A123-T182 HydrophobicContact CB-CG2 4.3Å; A123-H205 PolarHBondContact O-CE1 2.66Å; A123-H205 VanDerWaalsContact O-CE1 3.24Å; A123-S207 VanDerWaalsContact C-OG 3.32Å; A123-S207 WeakPolarHBondContact O-CB 3.36Å; A123-S207 PolarHBondContact O-OG 3.05Å
124	K	98.2	Very high	93.4	Very high	132 Å²	132	76 Å²	76	57%	0.574	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-81.1	134.2	178.3	-68.3	-178.1	179.8	179	0	110.3	S207 L208	K124-S207 VanDerWaalsContact CA-OG 3.26Å; K124-S207 WeakPolarHBondContact CA-OG 3.45Å; K124-S207 VanDerWaalsContact CE-O 3.24Å; K124-S207 WeakPolarHBondContact CE-O 3.37Å; K124-S207 PolarHBondContact N-OG 2.88Å; K124-L208 HydrophobicContact CB-CD2 4.15Å; K124-L208 HydrophobicContact CD-CD2 4.05Å; K124-L208 HydrophobicContact CG-CD2 3.94Å
125	P	98.6	Very high	92.1	Very high	14 Å²	14	78.3 Å²	78.3	9%	0.091	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-63.6	141.6	177.4	23.9	-32	0	0	0	111.9	V127 V147 S148 F150 V203 H205 L208	P125-V127 HydrophobicContact CB-CG2 4.25Å; P125-V147 HydrophobicContact CB-CG1 3.51Å; P125-V147 HydrophobicContact CG-CG1 4.49Å; P125-S148 WeakPolarHBondContact CA-O 3.43Å; P125-F150 HydrophobicContact CB-CB 3.81Å; P125-F150 HydrophobicContact CB-CD1 4.18Å; P125-F150 HydrophobicContact CB-CG 4.27Å; P125-F150 HydrophobicContact CG-CB 4.42Å; P125-V203 HydrophobicContact CB-CG1 4.48Å; P125-V203 HydrophobicContact CG-CG1 3.93Å; P125-H205 HydrophobicContact CG-CB 4.29Å; P125-L208 HydrophobicContact CG-CD1 3.99Å; P125-L208 HydrophobicContact CG-CG 4.49Å
126	K	98.5	Very high	90.7	Very high	130 Å²	130	78.2 Å²	78.2	57%	0.565	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.9	161.6	-62.6	176.9	-167.1	157	0	107.9	V147 S148 D149	K126-V147 WeakPolarHBondContact O-CA 3.08Å; K126-S148 PolarHBondContact N-O 3.28Å; K126-S148 PolarHBondContact O-N 2.97Å; K126-D149 WeakPolarHBondContact CD-OD2 3.36Å; K126-D149 WeakPolarHBondContact CE-OD2 3.41Å; K126-D149 IonicContact NZ-OD2 3.69Å; K126-D149 PolarHBondContact NZ-OD2 2.87Å
127	V	98.7	Very high	89.2	Confident	23 Å²	23	74.8 Å²	74.8	14%	0.139	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.1	-174.4	-173.1	0	0	0	0	109	P125 S146 V147 V203 V212 V214	P125-V127 HydrophobicContact CB-CG2 4.25Å; V127-S146 WeakPolarHBondContact CA-O 3.48Å; V127-V147 HydrophobicContact CG1-CG2 4.43Å; V127-V147 HydrophobicContact CG2-CG1 4.38Å; V127-V203 HydrophobicContact CG1-CG2 3.99Å; V127-V203 HydrophobicContact CG2-CB 4.17Å; V127-V203 HydrophobicContact CG2-CG2 3.74Å; V127-V212 HydrophobicContact CB-CG1 4.3Å; V127-V212 HydrophobicContact CG2-CG1 3.97Å; V127-V214 HydrophobicContact CB-CG2 3.77Å; V127-V214 HydrophobicContact CG1-CB 4.1Å; V127-V214 HydrophobicContact CG1-CG2 3.56Å
128	T	98.3	Very high	88.1	Confident	74 Å²	74	76.1 Å²	76.1	45%	0.454	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	143.2	174.4	57.6	0	0	0	0	110	C145 S146	T128-C145 CarbonylContact O-C 3.58Å; T128-C145 WeakPolarHBondContact O-CA 3.5Å; T128-S146 PolarHBondContact N-O 3.46Å; T128-S146 PolarHBondContact O-N 3.07Å; T128-S146 WeakPolarHBondContact OG1-CB 3.33Å
129	V	97.3	Very high	87.4	Confident	23 Å²	23	80.2 Å²	80.2	14%	0.139	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127.1	178.6	-179.1	0	0	0	0	109.8	V144 C145 W159 C201 V214 W216	V129-V144 WeakPolarHBondContact CA-O 3.16Å; V129-C145 HydrophobicContact CG2-CB 4.32Å; V129-W159 HydrophobicContact CG1-CH2 3.55Å; V129-W159 HydrophobicContact CG1-CZ3 4.09Å; V129-W159 HydrophobicContact CG2-CH2 4.38Å; V129-C201 HydrophobicContact CG2-CB 3.61Å; V129-V214 HydrophobicContact CB-CG1 4.08Å; V129-V214 HydrophobicContact CG2-CB 3.91Å; V129-V214 HydrophobicContact CG2-CG1 3.68Å; V129-W216 HydrophobicContact CB-CB 4.17Å; V129-W216 HydrophobicContact CG1-CB 3.48Å; V129-W216 VanDerWaalsContact CG1-CB 3.48Å; V129-W216 HydrophobicContact CG1-CG 4.07Å
130	Y	93	Very high	87	Confident	97 Å²	97	85.4 Å²	85.4	38%	0.38	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	153.8	-179.1	57.9	-89.3	0	0	0	111.7	V144	Y130-V144 HydrophobicContact CD2-CB 4.19Å; Y130-V144 HydrophobicContact CE1-CB 4.3Å; Y130-V144 HydrophobicContact CE1-CG1 4.23Å; Y130-V144 HydrophobicContact CE2-CB 3.77Å; Y130-V144 HydrophobicContact CE2-CG1 4.12Å; Y130-V144 HydrophobicContact CE2-CG2 4.06Å; Y130-V144 PolarHBondContact N-O 3.02Å; Y130-V144 PolarHBondContact O-N 2.91Å
131	P	92.3	Very high	86.7	Confident	36 Å²	36	79.9 Å²	79.9	23%	0.234	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	138.6	171.8	33.3	-33.3	0	0	0	110	K133 L143 W216	P131-K133 VanDerWaalsContact C-N 3.26Å; P131-K133 WeakPolarHBondContact CB-O 3.34Å; P131-K133 PolarHBondContact O-N 2.59Å; P131-L143 HydrophobicContact CB-CD2 4Å; P131-W216 HydrophobicContact CB-CZ2 4.33Å; P131-W216 HydrophobicContact CG-CZ2 4.28Å
132	S	90.1	Very high	86.6	Confident	69 Å²	69	79.1 Å²	79.1	48%	0.483	40%	0.396	S	S	.	.	S	Bend	trans	-61.2	-37.2	176.3	176.6	0	0	0	0	111.6	L142	S132-L142 VanDerWaalsContact CB-O 3.23Å; S132-L142 WeakPolarHBondContact CB-O 3.29Å; S132-L142 PolarHBondContact N-O 3.29Å
133	K	83.8	Confident	86.5	Confident	101 Å²	101	74.5 Å²	74.5	44%	0.439	38%	0.376	S	S	.	.			trans	-113.6	137.2	174.7	-59.9	175.1	-176.8	172.2	0	110	P131 Q135 N141	P131-K133 VanDerWaalsContact C-N 3.26Å; P131-K133 WeakPolarHBondContact CB-O 3.34Å; P131-K133 PolarHBondContact O-N 2.59Å; K133-Q135 HydrophobicContact CB-CB 4.41Å; K133-Q135 HydrophobicContact CB-CG 4.39Å; K133-Q135 PolarHBondContact O-N 3.03Å; K133-N141 PolarHBondContact N-OD1 3.28Å; K133-N141 PolarHBondContact O-ND2 2.56Å
134	T	71.3	Confident	86.5	Confident	146 Å²	146	73.6 Å²	73.6	90%	0.896	37%	0.368	S	S	*	.			trans	-80.4	4.9	173.9	52.8	0	0	0	0	113.7
135	Q	66.2	Low	86.5	Confident	106 Å²	106	67.3 Å²	67.3	50%	0.495	34%	0.341	S	S	.	.	S	Bend	trans	-65.5	161.4	-177.9	-69.7	173.9	34.8	0	0	111.9	K133	K133-Q135 HydrophobicContact CB-CB 4.41Å; K133-Q135 HydrophobicContact CB-CG 4.39Å; K133-Q135 PolarHBondContact O-N 3.03Å
136	P	64.9	Low	86.5	Confident	65 Å²	65	67.6 Å²	67.6	42%	0.422	34%	0.343	S	S	.	.			trans	-51.3	144.2	176.7	-25.5	34.4	0	0	0	112.2	E138 Y139 T221	P136-E138 PolarHBondContact O-N 3.49Å; P136-Y139 HydrophobicContact CB-CD2 4.4Å; P136-Y139 HydrophobicContact CB-CE2 4.49Å; P136-Y139 PolarHBondContact O-N 2.85Å; P136-T221 HydrophobicContact CB-CG2 4.19Å
137	L	62.4	Low	86.5	Confident	23 Å²	23	61.4 Å²	61.4	12%	0.12	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-14.6	-174.4	-65	174.8	0	0	0	114.8	Y139 P193 W216 A218 R219	L137-Y139 PolarHBondContact O-N 3.23Å; L137-P193 HydrophobicContact CB-CG 4.11Å; L137-P193 WeakPolarHBondContact CB-O 3.4Å; L137-P193 HydrophobicContact CD2-CB 3.95Å; L137-P193 HydrophobicContact CD2-CG 3.48Å; L137-P193 VanDerWaalsContact CD2-CG 3.48Å; L137-P193 HydrophobicContact CG-CG 4.38Å; L137-P193 WeakPolarHBondContact O-CD 3.25Å; L137-P193 VanDerWaalsContact O-O 3.08Å; L137-W216 HydrophobicContact CD2-CH2 3.6Å; L137-W216 HydrophobicContact CD2-CZ2 4.11Å; L137-A218 HydrophobicContact CD1-CB 4Å; L137-A218 HydrophobicContact CD2-CB 4.45Å; L137-R219 WeakPolarHBondContact CD1-O 3.17Å
138	E	68.7	Low	86.5	Confident	148 Å²	148	61.4 Å²	61.4	69%	0.692	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	2.1	-178.3	-65.9	172.9	-168.3	0	0	113.7	P136	P136-E138 PolarHBondContact O-N 3.49Å
139	Y	78.3	Confident	86.4	Confident	141 Å²	141	60.3 Å²	60.3	55%	0.553	31%	0.309	S	S	*	.	S	Bend	trans	-116.5	154.1	178.6	-63.6	-80.1	0	0	0	112.1	P136 L137 N141	P136-Y139 HydrophobicContact CB-CD2 4.4Å; P136-Y139 HydrophobicContact CB-CE2 4.49Å; P136-Y139 PolarHBondContact O-N 2.85Å; L137-Y139 PolarHBondContact O-N 3.23Å; Y139-N141 PolarHBondContact O-N 3.25Å; Y139-N141 VanDerWaalsContact O-N 3.15Å
140	H	83.1	Confident	86.5	Confident	155 Å²	155	59.2 Å²	59.2	72%	0.718	30%	0.302	S	S	*	.			trans	-51.8	120.9	170.6	-74.6	-74	0	0	0	110.8	V192	H140-V192 VanDerWaalsContact ND1-CG2 3.34Å; H140-V192 WeakPolarHBondContact ND1-CG2 3.16Å
141	N	87.5	Confident	86.7	Confident	13 Å²	13	56.5 Å²	56.5	7%	0.07	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	161	-178.7	-151.1	-17.6	0	0	0	109.7	K133 Y139 T191	K133-N141 PolarHBondContact N-OD1 3.28Å; K133-N141 PolarHBondContact O-ND2 2.56Å; Y139-N141 PolarHBondContact O-N 3.25Å; Y139-N141 VanDerWaalsContact O-N 3.15Å; N141-T191 PolarHBondContact N-O 3.19Å; N141-T191 PolarHBondContact O-N 2.94Å
142	L	92.1	Very high	86.9	Confident	43 Å²	43	56.2 Å²	56.2	23%	0.225	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	113.6	178.2	-168.3	73.9	0	0	0	107.3	S132 M188 L189 E190	S132-L142 VanDerWaalsContact CB-O 3.23Å; S132-L142 WeakPolarHBondContact CB-O 3.29Å; S132-L142 PolarHBondContact N-O 3.29Å; L142-M188 HydrophobicContact CD1-CB 3.78Å; L142-M188 HydrophobicContact CD2-CB 3.84Å; L142-M188 HydrophobicContact CD2-CG 3.91Å; L142-M188 HydrophobicContact CD2-SD 3.62Å; L142-M188 HydrophobicContact CG-CB 3.77Å; L142-M188 HydrophobicContact CG-CG 4.28Å; L142-L189 WeakPolarHBondContact CA-O 3.27Å; L142-E190 HydrophobicContact CD1-CB 4.41Å; L142-E190 HydrophobicContact CD1-CG 3.54Å
143	L	94.8	Very high	87.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	126.2	171.2	-67.6	-179.6	0	0	0	108.6	P131 W159 M188 L189 T191 Y199 W216	P131-L143 HydrophobicContact CB-CD2 4Å; L143-W159 HydrophobicContact CB-CH2 3.81Å; L143-W159 HydrophobicContact CB-CZ2 4.15Å; L143-M188 CarbonylContact O-C 3.56Å; L143-M188 VanDerWaalsContact O-CA 3.24Å; L143-M188 WeakPolarHBondContact O-CA 3.05Å; L143-L189 HydrophobicContact CB-CB 4.38Å; L143-L189 PolarHBondContact N-O 2.84Å; L143-L189 PolarHBondContact O-N 3.36Å; L143-T191 HydrophobicContact CD1-CG2 3.94Å; L143-T191 HydrophobicContact CG-CG2 4.05Å; L143-Y199 HydrophobicContact CD1-CD1 3.68Å; L143-Y199 HydrophobicContact CD1-CD2 3.71Å; L143-Y199 HydrophobicContact CD1-CE1 4.07Å; L143-Y199 HydrophobicContact CD1-CE2 4.11Å; L143-Y199 HydrophobicContact CD1-CG 3.45Å; L143-Y199 VanDerWaalsContact CD1-CG 3.45Å; L143-W216 HydrophobicContact CD1-CD2 4.48Å; L143-W216 HydrophobicContact CD1-CE3 3.72Å; L143-W216 HydrophobicContact CD1-CZ3 3.81Å; L143-W216 HydrophobicContact CD2-CD2 3.87Å; L143-W216 HydrophobicContact CD2-CE3 3.76Å; L143-W216 HydrophobicContact CD2-CH2 3.79Å; L143-W216 HydrophobicContact CD2-CZ2 3.91Å; L143-W216 HydrophobicContact CD2-CZ3 3.72Å; L143-W216 HydrophobicContact CG-CE3 4.42Å; L143-W216 HydrophobicContact CG-CZ3 4.38Å
144	V	97.5	Very high	87.8	Confident	7 Å²	7	54.2 Å²	54.2	4%	0.042	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.2	-176.8	-173.6	0	0	0	0	108.6	V129 Y130 L186 M188	V129-V144 WeakPolarHBondContact CA-O 3.16Å; Y130-V144 HydrophobicContact CD2-CB 4.19Å; Y130-V144 HydrophobicContact CE1-CB 4.3Å; Y130-V144 HydrophobicContact CE1-CG1 4.23Å; Y130-V144 HydrophobicContact CE2-CB 3.77Å; Y130-V144 HydrophobicContact CE2-CG1 4.12Å; Y130-V144 HydrophobicContact CE2-CG2 4.06Å; Y130-V144 PolarHBondContact N-O 3.02Å; Y130-V144 PolarHBondContact O-N 2.91Å; V144-L186 HydrophobicContact CG1-CB 4.4Å; V144-L186 HydrophobicContact CG1-CD2 4.25Å; V144-M188 HydrophobicContact CG1-CG 4.31Å; V144-M188 HydrophobicContact CG2-CG 4.26Å
145	C	98.6	Very high	89.1	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	107.8	163.4	-175.6	0	0	0	0	108.3	T128 V129 W159 L186 V187 C201	T128-C145 CarbonylContact O-C 3.58Å; T128-C145 WeakPolarHBondContact O-CA 3.5Å; V129-C145 HydrophobicContact CG2-CB 4.32Å; C145-W159 HydrophobicContact CB-CH2 4.19Å; C145-W159 HydrophobicContact CB-CZ2 3.55Å; C145-L186 WeakPolarHBondContact O-CA 3.32Å; C145-V187 WeakPolarHBondContact CB-O 3.47Å; C145-V187 PolarHBondContact N-O 3.31Å; C145-V187 PolarHBondContact O-N 3.27Å; C145-C201 HydrophobicContact CB-CB 3.62Å; C145-C201 WeakPolarHBondContact CB-SG 2.82Å; C145-C201 WeakPolarHBondContact SG-CB 3.13Å; C145-C201 CovalentContact SG-SG 2.02Å; C145-C201 PolarHBondContact SG-SG 3.03Å
146	S	98.5	Very high	90.6	Very high	20 Å²	20	48.3 Å²	48.3	14%	0.14	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	118.7	177.5	179.2	0	0	0	0	109.6	V127 T128 L186	V127-S146 WeakPolarHBondContact CA-O 3.48Å; T128-S146 PolarHBondContact N-O 3.46Å; T128-S146 PolarHBondContact O-N 3.07Å; T128-S146 WeakPolarHBondContact OG1-CB 3.33Å; S146-L186 WeakPolarHBondContact OG-CD2 3.19Å
147	V	98.8	Very high	92.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	113.5	-178.5	-171.7	0	0	0	0	108.5	P125 K126 V127 F150 I155 I157 Q184 T185 V203	P125-V147 HydrophobicContact CB-CG1 3.51Å; P125-V147 HydrophobicContact CG-CG1 4.49Å; K126-V147 WeakPolarHBondContact O-CA 3.08Å; V127-V147 HydrophobicContact CG1-CG2 4.43Å; V127-V147 HydrophobicContact CG2-CG1 4.38Å; V147-F150 HydrophobicContact CB-CE1 4.42Å; V147-F150 HydrophobicContact CG1-CD1 3.9Å; V147-F150 HydrophobicContact CG1-CE1 3.89Å; V147-I155 HydrophobicContact CG1-CD1 3.65Å; V147-I157 HydrophobicContact CB-CD1 4.17Å; V147-I157 HydrophobicContact CG1-CD1 4.48Å; V147-I157 HydrophobicContact CG2-CD1 3.82Å; V147-I157 HydrophobicContact CG2-CG1 4.39Å; V147-Q184 CarbonylContact O-C 3.59Å; V147-Q184 VanDerWaalsContact O-CA 3.24Å; V147-Q184 WeakPolarHBondContact O-CA 3.05Å; V147-T185 HydrophobicContact CB-CG2 4.31Å; V147-T185 PolarHBondContact N-O 2.96Å; V147-T185 PolarHBondContact O-N 3.08Å; V147-V203 HydrophobicContact CG1-CG1 4.2Å; V147-V203 HydrophobicContact CG2-CG2 3.86Å
148	S	98.3	Very high	93.9	Very high	23 Å²	23	48.8 Å²	48.8	16%	0.161	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	164.1	-172.6	72.2	0	0	0	0	113.7	P125 K126 F150	P125-S148 WeakPolarHBondContact CA-O 3.43Å; K126-S148 PolarHBondContact N-O 3.28Å; K126-S148 PolarHBondContact O-N 2.97Å; S148-F150 PolarHBondContact O-N 2.65Å
149	D	97.7	Very high	95.4	Very high	51 Å²	51	41.8 Å²	41.8	27%	0.273	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	60.5	38.7	171.2	-48.6	-25.2	0	0	0	114.2	A123 K126 N178 Y183	A123-D149 WeakPolarHBondContact CB-O 3.48Å; K126-D149 WeakPolarHBondContact CD-OD2 3.36Å; K126-D149 WeakPolarHBondContact CE-OD2 3.41Å; K126-D149 IonicContact NZ-OD2 3.69Å; K126-D149 PolarHBondContact NZ-OD2 2.87Å; D149-N178 PolarHBondContact OD1-ND2 2.9Å; D149-Y183 PolarHBondContact N-O 2.82Å
150	F	98.4	Very high	96.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	155.4	-178.9	64.7	-90.6	0	0	0	113.9	P125 V147 S148 P152 I155 L175 T182 Y183 T185 H205	P125-F150 HydrophobicContact CB-CB 3.81Å; P125-F150 HydrophobicContact CB-CD1 4.18Å; P125-F150 HydrophobicContact CB-CG 4.27Å; P125-F150 HydrophobicContact CG-CB 4.42Å; V147-F150 HydrophobicContact CB-CE1 4.42Å; V147-F150 HydrophobicContact CG1-CD1 3.9Å; V147-F150 HydrophobicContact CG1-CE1 3.89Å; S148-F150 PolarHBondContact O-N 2.65Å; F150-P152 WeakPolarHBondContact CD2-O 3.47Å; F150-I155 HydrophobicContact CD1-CD1 4.08Å; F150-I155 HydrophobicContact CD2-CB 4.49Å; F150-I155 HydrophobicContact CD2-CD1 3.89Å; F150-I155 HydrophobicContact CE1-CD1 3.93Å; F150-I155 HydrophobicContact CE2-CB 3.9Å; F150-I155 HydrophobicContact CE2-CD1 3.76Å; F150-I155 HydrophobicContact CE2-CG1 4.45Å; F150-I155 HydrophobicContact CE2-CG2 3.87Å; F150-I155 HydrophobicContact CG-CD1 4.05Å; F150-I155 HydrophobicContact CZ-CB 4.32Å; F150-I155 HydrophobicContact CZ-CD1 3.78Å; F150-I155 HydrophobicContact CZ-CG2 3.87Å; F150-L175 HydrophobicContact CE2-CD1 3.97Å; F150-L175 HydrophobicContact CZ-CD1 3.6Å; F150-T182 CarbonylContact O-C 3.57Å; F150-T182 WeakPolarHBondContact O-CA 3.3Å; F150-Y183 WeakPolarHBondContact CD1-O 3.46Å; F150-Y183 WeakPolarHBondContact CE1-O 3.47Å; F150-Y183 PolarHBondContact N-O 3.11Å; F150-Y183 PolarHBondContact O-N 2.71Å; F150-T185 HydrophobicContact CE1-CG2 4.21Å; F150-T185 HydrophobicContact CZ-CG2 4.1Å; F150-H205 AromaticContact CD2-CD2 3.95Å; F150-H205 AromaticContact CD2-NE2 3.7Å
151	Y	98	Very high	96.9	Very high	39 Å²	39	32.3 Å²	32.3	15%	0.153	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-153.2	135.6	174.1	-176.5	-94.2	0	0	0	110.4	M118 L121 K122 A123 W181 Y183 H205	M118-Y151 HydrophobicContact CE-CE1 3.83Å; M118-Y151 WeakPolarHBondContact CE-OH 3.49Å; L121-Y151 HydrophobicContact CB-CD1 4.19Å; L121-Y151 HydrophobicContact CB-CE1 4.36Å; K122-Y151 WeakPolarHBondContact CA-O 3.33Å; A123-Y151 PolarHBondContact N-O 3.23Å; A123-Y151 PolarHBondContact O-N 2.96Å; Y151-W181 WeakPolarHBondContact CD2-O 3.32Å; Y151-Y183 HydrophobicContact CD2-CD2 4.24Å; Y151-Y183 AromaticContact CD2-CE2 3.79Å; Y151-Y183 HydrophobicContact CD2-CE2 3.79Å; Y151-Y183 HydrophobicContact CE2-CE2 4.03Å; Y151-H205 VanDerWaalsContact C-CE1 3.47Å; Y151-H205 PolarHBondContact O-CE1 3.34Å
152	P	96.8	Very high	97.2	Very high	31 Å²	31	36.3 Å²	36.3	20%	0.201	19%	0.19	C	C	.	.	S	Bend	cis	-73.6	174.9	5	32.9	-37.9	0	0	0	114.1	F150 T154 H205 P206	F150-P152 WeakPolarHBondContact CD2-O 3.47Å; P152-T154 PolarHBondContact O-N 2.69Å; P152-H205 PolarHBondContact O-NE2 3.34Å; P152-P206 HydrophobicContact CG-CB 4.48Å; P152-P206 HydrophobicContact CG-CG 4.22Å
153	G	96.4	Very high	97.3	Very high	19 Å²	19	36.8 Å²	36.8	20%	0.196	21%	0.205	C	C	.	.	S	Bend	trans	-68.1	-17	179.5	0	0	0	0	0	115	I155 Y183	G153-I155 PolarHBondContact O-N 2.86Å; G153-Y183 VanDerWaalsContact CA-CD2 3.5Å
154	T	96.1	Very high	97.4	Very high	109 Å²	109	44.3 Å²	44.3	67%	0.669	24%	0.24	S	C	*	.			trans	-71.6	113.7	177.6	-51.9	0	0	0	0	110.4	P152 H205 P206	P152-T154 PolarHBondContact O-N 2.69Å; T154-H205 PolarHBondContact O-CD2 2.6Å; T154-H205 VanDerWaalsContact O-CD2 3.29Å; T154-P206 WeakPolarHBondContact O-CD 3.36Å
155	I	97.9	Very high	97.5	Very high	41 Å²	41	47.8 Å²	47.8	21%	0.21	26%	0.256	C	S	.	.			trans	-144.7	150.5	-176.5	-164.3	163.6	0	0	0	110	V147 F150 G153 I157 T185 V203 E204 H205	V147-I155 HydrophobicContact CG1-CD1 3.65Å; F150-I155 HydrophobicContact CD1-CD1 4.08Å; F150-I155 HydrophobicContact CD2-CB 4.49Å; F150-I155 HydrophobicContact CD2-CD1 3.89Å; F150-I155 HydrophobicContact CE1-CD1 3.93Å; F150-I155 HydrophobicContact CE2-CB 3.9Å; F150-I155 HydrophobicContact CE2-CD1 3.76Å; F150-I155 HydrophobicContact CE2-CG1 4.45Å; F150-I155 HydrophobicContact CE2-CG2 3.87Å; F150-I155 HydrophobicContact CG-CD1 4.05Å; F150-I155 HydrophobicContact CZ-CB 4.32Å; F150-I155 HydrophobicContact CZ-CD1 3.78Å; F150-I155 HydrophobicContact CZ-CG2 3.87Å; G153-I155 PolarHBondContact O-N 2.86Å; I155-I157 HydrophobicContact CD1-CD1 4.3Å; I155-I157 HydrophobicContact CD1-CG1 4.33Å; I155-I157 HydrophobicContact CG1-CD1 4.41Å; I155-I157 HydrophobicContact CG1-CG1 4.08Å; I155-I157 HydrophobicContact CG2-CD1 4.17Å; I155-I157 HydrophobicContact CG2-CG1 4.45Å; I155-T185 HydrophobicContact CG2-CG2 4.48Å; I155-V203 HydrophobicContact CD1-CG1 3.66Å; I155-V203 HydrophobicContact CG1-CG1 3.96Å; I155-E204 WeakPolarHBondContact CG1-O 3.24Å; I155-H205 HydrophobicContact CD1-CB 4.38Å; I155-H205 HydrophobicContact CG1-CB 4.16Å
156	E	98.3	Very high	97.4	Very high	87 Å²	87	50 Å²	50	41%	0.407	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.6	171.8	-178.6	173	-164.3	0	0	109.9	R158 E204	E156-R158 HydrophobicContact CG-CG 4.34Å; E156-R158 IonicContact OE1-CZ 3.56Å; E156-R158 IonicContact OE1-NE 2.7Å; E156-R158 PolarHBondContact OE1-NE 2.82Å; E156-R158 IonicContact OE1-NH2 3.08Å; E156-R158 PolarHBondContact OE1-NH2 3.4Å; E156-R158 IonicContact OE2-CZ 3.57Å; E156-R158 IonicContact OE2-NH2 3.83Å; E156-R158 PolarHBondContact OE2-NH2 3.39Å; E156-E204 HydrophobicContact CB-CB 4.23Å; E156-E204 PolarHBondContact N-O 2.85Å; E156-E204 PolarHBondContact O-N 3.21Å
157	I	98.6	Very high	97.3	Very high	31 Å²	31	56 Å²	56	16%	0.159	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.9	-173.8	-55.9	164.5	0	0	0	107.9	V147 I155 T185 V187 Q202 V203	V147-I157 HydrophobicContact CB-CD1 4.17Å; V147-I157 HydrophobicContact CG1-CD1 4.48Å; V147-I157 HydrophobicContact CG2-CD1 3.82Å; V147-I157 HydrophobicContact CG2-CG1 4.39Å; I155-I157 HydrophobicContact CD1-CD1 4.3Å; I155-I157 HydrophobicContact CD1-CG1 4.33Å; I155-I157 HydrophobicContact CG1-CD1 4.41Å; I155-I157 HydrophobicContact CG1-CG1 4.08Å; I155-I157 HydrophobicContact CG2-CD1 4.17Å; I155-I157 HydrophobicContact CG2-CG1 4.45Å; I157-T185 HydrophobicContact CD1-CG2 3.38Å; I157-V187 HydrophobicContact CB-CG2 3.82Å; I157-V187 HydrophobicContact CD1-CG2 3.66Å; I157-V187 HydrophobicContact CG1-CG2 4.35Å; I157-V187 HydrophobicContact CG2-CB 3.87Å; I157-V187 HydrophobicContact CG2-CG1 4.27Å; I157-V187 HydrophobicContact CG2-CG2 3.58Å; I157-Q202 WeakPolarHBondContact CA-O 3.5Å; I157-V203 HydrophobicContact CG1-CG1 4.42Å; I157-V203 HydrophobicContact CG1-CG2 4.31Å; I157-V203 HydrophobicContact CG2-CG2 4.33Å
158	R	98.6	Very high	97.2	Very high	67 Å²	67	61.4 Å²	61.4	25%	0.253	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.2	-177.2	-57.8	-175.4	-162.1	148.7	13.3	110.7	E156 F160 E165 Q202 E204	E156-R158 HydrophobicContact CG-CG 4.34Å; E156-R158 IonicContact OE1-CZ 3.56Å; E156-R158 IonicContact OE1-NE 2.7Å; E156-R158 PolarHBondContact OE1-NE 2.82Å; E156-R158 IonicContact OE1-NH2 3.08Å; E156-R158 PolarHBondContact OE1-NH2 3.4Å; E156-R158 IonicContact OE2-CZ 3.57Å; E156-R158 IonicContact OE2-NH2 3.83Å; E156-R158 PolarHBondContact OE2-NH2 3.39Å; R158-F160 HydrophobicContact CB-CE2 3.84Å; R158-E165 WeakPolarHBondContact CD-OE1 3.15Å; R158-Q202 PolarHBondContact N-O 2.72Å; R158-Q202 PolarHBondContact O-N 3.33Å; R158-E204 IonicContact CZ-OE1 2.71Å; R158-E204 IonicContact NH1-OE1 2.91Å; R158-E204 IonicContact NH2-OE1 3.77Å
159	W	98.5	Very high	97	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	143.6	171.2	-83.4	104.8	0	0	0	110.7	V129 L143 C145 E165 E166 V170 V187 L189 T200 C201	V129-W159 HydrophobicContact CG1-CH2 3.55Å; V129-W159 HydrophobicContact CG1-CZ3 4.09Å; V129-W159 HydrophobicContact CG2-CH2 4.38Å; L143-W159 HydrophobicContact CB-CH2 3.81Å; L143-W159 HydrophobicContact CB-CZ2 4.15Å; C145-W159 HydrophobicContact CB-CH2 4.19Å; C145-W159 HydrophobicContact CB-CZ2 3.55Å; W159-E165 WeakPolarHBondContact O-CA 3.37Å; W159-E166 HydrophobicContact CB-CB 4.49Å; W159-E166 PolarHBondContact O-N 3.08Å; W159-V170 HydrophobicContact CB-CG2 4.22Å; W159-V170 HydrophobicContact CG-CG2 4.42Å; W159-V187 PolarHBondContact NE1-O 3.44Å; W159-V187 VanDerWaalsContact NE1-O 3.13Å; W159-L189 HydrophobicContact CB-CD2 4.39Å; W159-L189 HydrophobicContact CD2-CB 4.05Å; W159-L189 HydrophobicContact CD2-CD2 4.12Å; W159-L189 HydrophobicContact CE3-CD2 4.16Å; W159-L189 HydrophobicContact CG-CB 4.13Å; W159-L189 HydrophobicContact CG-CD2 4.25Å; W159-L189 HydrophobicContact CZ2-CB 4.29Å; W159-T200 CarbonylContact C-O 3.54Å; W159-C201 HydrophobicContact CE3-CB 4.38Å; W159-C201 HydrophobicContact CH2-CB 4.42Å; W159-C201 HydrophobicContact CZ3-CB 4.26Å
160	F	98.4	Very high	97	Very high	22 Å²	22	61.5 Å²	61.5	10%	0.096	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.3	171	-66.4	-102.7	0	0	0	109.6	R158 G163 E164 E165 Y199 T200 Q202	R158-F160 HydrophobicContact CB-CE2 3.84Å; F160-G163 WeakPolarHBondContact CD1-O 3.32Å; F160-E164 CarbonylContact C-O 3.54Å; F160-E164 WeakPolarHBondContact CA-O 3.46Å; F160-E164 WeakPolarHBondContact CB-O 3.44Å; F160-E165 HydrophobicContact CD1-CB 4.1Å; F160-E165 HydrophobicContact CE1-CB 3.83Å; F160-E165 HydrophobicContact CE1-CG 4.4Å; F160-E165 HydrophobicContact CZ-CB 4.29Å; F160-E165 HydrophobicContact CZ-CG 4.38Å; F160-Y199 CarbonylContact O-C 3.51Å; F160-Y199 VanDerWaalsContact O-CA 3.31Å; F160-Y199 WeakPolarHBondContact O-CA 3.23Å; F160-T200 PolarHBondContact N-O 3.36Å; F160-T200 PolarHBondContact O-N 3.48Å; F160-Q202 HydrophobicContact CD2-CB 4.05Å; F160-Q202 HydrophobicContact CE2-CB 3.67Å; F160-Q202 HydrophobicContact CE2-CG 4.42Å
161	R	95.7	Very high	97	Very high	75 Å²	75	65 Å²	65	28%	0.283	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.1	172	-176.5	-177.1	-176.7	173.7	3.5	108.1	G163 E164 E166 E197 Y199	R161-G163 PolarHBondContact O-N 3.48Å; R161-E164 PolarHBondContact N-O 2.81Å; R161-E164 PolarHBondContact O-N 3.34Å; R161-E166 HydrophobicContact CB-CB 4.41Å; R161-E197 IonicContact CZ-OE1 3.69Å; R161-E197 IonicContact CZ-OE2 3.75Å; R161-E197 IonicContact NE-OE1 2.66Å; R161-E197 PolarHBondContact NE-OE1 3.08Å; R161-E197 IonicContact NE-OE2 3.13Å; R161-E197 VanDerWaalsContact NH2-CD 3.27Å; R161-E197 IonicContact NH2-OE1 3.12Å; R161-E197 PolarHBondContact NH2-OE1 3.23Å; R161-E197 IonicContact NH2-OE2 3.87Å; R161-E197 PolarHBondContact NH2-OE2 2.98Å; R161-E197 VanDerWaalsContact NH2-OE2 3.13Å; R161-Y199 HydrophobicContact CB-CD1 4.37Å; R161-Y199 HydrophobicContact CB-CE1 4.38Å; R161-Y199 HydrophobicContact CG-CD1 4.31Å; R161-Y199 HydrophobicContact CG-CE1 3.96Å
162	N	94.1	Very high	96.9	Very high	97 Å²	97	66.9 Å²	66.9	52%	0.519	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	31.1	-178.5	-56.3	-38.1	0	0	0	113.9	V198	N162-V198 PolarHBondContact N-O 2.82Å; N162-V198 PolarHBondContact OD1-N 3.47Å
163	G	93.6	Very high	96.9	Very high	52 Å²	52	67.4 Å²	67.4	54%	0.536	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.1	-13.1	179.1	0	0	0	0	0	115.5	F160 R161	F160-G163 WeakPolarHBondContact CD1-O 3.32Å; R161-G163 PolarHBondContact O-N 3.48Å
164	E	97.4	Very high	97	Very high	158 Å²	158	73.5 Å²	73.5	74%	0.738	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	142.5	175.8	-64.8	-173.4	167.3	0	0	110.9	F160 R161 E166	F160-E164 CarbonylContact C-O 3.54Å; F160-E164 WeakPolarHBondContact CA-O 3.46Å; F160-E164 WeakPolarHBondContact CB-O 3.44Å; R161-E164 PolarHBondContact N-O 2.81Å; R161-E164 PolarHBondContact O-N 3.34Å; E164-E166 PolarHBondContact O-N 2.82Å
165	E	98	Very high	97	Very high	81 Å²	81	72 Å²	72	38%	0.379	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	125.4	-179.6	-170.6	-178.1	164.2	0	0	110.4	R158 W159 F160 K167	R158-E165 WeakPolarHBondContact CD-OE1 3.15Å; W159-E165 WeakPolarHBondContact O-CA 3.37Å; F160-E165 HydrophobicContact CD1-CB 4.1Å; F160-E165 HydrophobicContact CE1-CB 3.83Å; F160-E165 HydrophobicContact CE1-CG 4.4Å; F160-E165 HydrophobicContact CZ-CB 4.29Å; F160-E165 HydrophobicContact CZ-CG 4.38Å; E165-K167 HydrophobicContact CG-CG 4.41Å; E165-K167 WeakPolarHBondContact OE1-CE 3.32Å; E165-K167 IonicContact OE1-NZ 2.89Å
166	E	96.5	Very high	97	Very high	47 Å²	47	73.8 Å²	73.8	22%	0.22	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.5	176.4	-177.6	60.3	-92.6	0	0	109.3	W159 R161 E164 T168 V170 L189	W159-E166 HydrophobicContact CB-CB 4.49Å; W159-E166 PolarHBondContact O-N 3.08Å; R161-E166 HydrophobicContact CB-CB 4.41Å; E164-E166 PolarHBondContact O-N 2.82Å; E166-T168 VanDerWaalsContact OE1-CB 3.27Å; E166-T168 WeakPolarHBondContact OE1-CB 3.39Å; E166-T168 PolarHBondContact OE1-N 2.9Å; E166-T168 PolarHBondContact OE1-OG1 2.8Å; E166-V170 WeakPolarHBondContact O-CG2 3.35Å; E166-L189 HydrophobicContact CG-CD1 3.73Å
167	K	97.1	Very high	97	Very high	145 Å²	145	73 Å²	73	63%	0.63	40%	0.402	S	S	*	.			trans	-115.4	-20.3	178.7	-64.6	-176.8	178.5	180	0	112	E165	E165-K167 HydrophobicContact CG-CG 4.41Å; E165-K167 WeakPolarHBondContact OE1-CE 3.32Å; E165-K167 IonicContact OE1-NZ 2.89Å
168	T	96.7	Very high	96.8	Very high	113 Å²	113	74 Å²	74	69%	0.693	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	132.5	-176.1	-45.7	0	0	0	0	109.4	E166 V170 L189	E166-T168 VanDerWaalsContact OE1-CB 3.27Å; E166-T168 WeakPolarHBondContact OE1-CB 3.39Å; E166-T168 PolarHBondContact OE1-N 2.9Å; E166-T168 PolarHBondContact OE1-OG1 2.8Å; T168-V170 PolarHBondContact O-N 3.19Å; T168-L189 WeakPolarHBondContact O-CD1 3.48Å
169	G	94.1	Very high	96.6	Very high	28 Å²	28	74.2 Å²	74.2	29%	0.289	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	13	-178.9	0	0	0	0	0	114.1	E190	G169-E190 PolarHBondContact O-N 2.78Å
170	V	98	Very high	96.4	Very high	48 Å²	48	78.5 Å²	78.5	29%	0.291	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	125.2	174.2	179.7	0	0	0	0	109.7	W159 E166 T168 V187 M188 L189	W159-V170 HydrophobicContact CB-CG2 4.22Å; W159-V170 HydrophobicContact CG-CG2 4.42Å; E166-V170 WeakPolarHBondContact O-CG2 3.35Å; T168-V170 PolarHBondContact O-N 3.19Å; V170-V187 HydrophobicContact CG1-CG1 3.61Å; V170-M188 CarbonylContact C-O 3.54Å; V170-M188 VanDerWaalsContact CA-O 3.29Å; V170-M188 WeakPolarHBondContact CA-O 3.45Å; V170-L189 HydrophobicContact CG2-CD1 3.74Å
171	V	97.3	Very high	96.1	Very high	73 Å²	73	85.5 Å²	85.5	44%	0.442	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127.7	179.2	-177.1	0	0	0	0	109.4	M188	V171-M188 HydrophobicContact CG1-CE 4.3Å; V171-M188 PolarHBondContact N-O 2.86Å; V171-M188 PolarHBondContact O-N 3.02Å
172	S	97.7	Very high	96.2	Very high	80 Å²	80	82.8 Å²	82.8	56%	0.559	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	146.4	176.1	57	0	0	0	0	111.6	L186	S172-L186 CarbonylContact C-O 3.57Å; S172-L186 WeakPolarHBondContact CA-O 3.47Å
173	T	97.1	Very high	96.4	Very high	42 Å²	42	81.2 Å²	81.2	26%	0.258	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-75.7	161.3	164.9	65.9	0	0	0	0	110.5	T185 L186 M188	T173-T185 PolarHBondContact O-OG1 2.78Å; T173-T185 PolarHBondContact OG1-OG1 2.87Å; T173-L186 HydrophobicContact CG2-CB 3.89Å; T173-L186 HydrophobicContact CG2-CD1 4.46Å; T173-L186 HydrophobicContact CG2-CG 4.43Å; T173-L186 PolarHBondContact N-O 3.09Å; T173-L186 PolarHBondContact OG1-N 3.41Å; T173-M188 HydrophobicContact CG2-CE 4.05Å
174	D	96.7	Very high	96.7	Very high	146 Å²	146	81.7 Å²	81.7	78%	0.781	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-58.5	162.1	163.4	-64.9	-44.5	0	0	0	111.1	I176	D174-I176 PolarHBondContact O-N 2.78Å
175	L	97.5	Very high	96.7	Very high	79 Å²	79	74.7 Å²	74.7	41%	0.414	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-72.7	119.8	176.6	-170.2	73	0	0	0	109.9	F150 Y183	F150-L175 HydrophobicContact CE2-CD1 3.97Å; F150-L175 HydrophobicContact CZ-CD1 3.6Å; L175-Y183 HydrophobicContact CD1-CD1 4.31Å; L175-Y183 HydrophobicContact CD1-CG 4.14Å; L175-Y183 HydrophobicContact CD2-CD1 3.5Å; L175-Y183 HydrophobicContact CD2-CD2 4.45Å; L175-Y183 HydrophobicContact CD2-CE1 3.85Å; L175-Y183 HydrophobicContact CD2-CG 3.83Å; L175-Y183 HydrophobicContact CG-CD1 3.63Å; L175-Y183 HydrophobicContact CG-CE1 4.39Å; L175-Y183 HydrophobicContact CG-CG 3.95Å
176	I	97.6	Very high	96.7	Very high	78 Å²	78	73 Å²	73	40%	0.4	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.9	-178.8	-57.6	165.6	0	0	0	108.6	D174 Y183 Q184	D174-I176 PolarHBondContact O-N 2.78Å; I176-Y183 CarbonylContact O-C 3.42Å; I176-Y183 WeakPolarHBondContact O-CA 3.37Å; I176-Q184 HydrophobicContact CB-CG 3.72Å; I176-Q184 HydrophobicContact CD1-CG 4.38Å; I176-Q184 HydrophobicContact CG2-CG 4.02Å; I176-Q184 PolarHBondContact N-O 3.41Å; I176-Q184 PolarHBondContact O-N 2.65Å
177	S	97.4	Very high	96.8	Very high	71 Å²	71	71 Å²	71	50%	0.497	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	135	174.9	-173	0	0	0	0	111.3
178	N	95.5	Very high	96.8	Very high	51 Å²	51	65.9 Å²	65.9	27%	0.273	38%	0.378	S	S	.	.			trans	-83.2	-11.5	179.5	-71.6	-19.5	0	0	0	113.6	D149 D180 T182 Q184	D149-N178 PolarHBondContact OD1-ND2 2.9Å; N178-D180 VanDerWaalsContact C-N 3.27Å; N178-D180 WeakPolarHBondContact CB-OD1 3.27Å; N178-D180 PolarHBondContact O-N 2.88Å; N178-T182 WeakPolarHBondContact CB-O 3.43Å; N178-T182 PolarHBondContact N-O 3.08Å; N178-T182 PolarHBondContact ND2-OG1 2.76Å; N178-Q184 PolarHBondContact OD1-NE2 3.43Å
179	G	94.3	Very high	96.9	Very high	72 Å²	72	60.6 Å²	60.6	74%	0.742	35%	0.345	S	S	*	.	S	Bend	trans	82.9	-3	-175.2	0	0	0	0	0	114.8
180	D	94.5	Very high	96.9	Very high	90 Å²	90	65.3 Å²	65.3	48%	0.481	36%	0.36	S	S	.	.	S	Bend	trans	-113.2	28	177.1	70.3	-9.9	0	0	0	112.3	N178 T182	N178-D180 VanDerWaalsContact C-N 3.27Å; N178-D180 WeakPolarHBondContact CB-OD1 3.27Å; N178-D180 PolarHBondContact O-N 2.88Å; D180-T182 PolarHBondContact O-N 3.09Å; D180-T182 WeakPolarHBondContact OD1-CB 3.46Å; D180-T182 PolarHBondContact OD1-N 3.43Å; D180-T182 PolarHBondContact OD1-OG1 3.1Å
181	W	91.8	Very high	96.6	Very high	169 Å²	169	63.9 Å²	63.9	64%	0.64	35%	0.351	S	S	*	.	S	Bend	trans	74	-18.8	-171.5	-50.9	85.8	0	0	0	115.5	Y151 Y183	Y151-W181 WeakPolarHBondContact CD2-O 3.32Å; W181-Y183 WeakPolarHBondContact O-CE2 3.21Å
182	T	97.8	Very high	96.2	Very high	18 Å²	18	62.7 Å²	62.7	11%	0.11	34%	0.344	C	S	.	.			trans	-83.3	162.2	179.5	72	0	0	0	0	112.3	A123 F150 N178 D180	A123-T182 HydrophobicContact CB-CG2 4.3Å; F150-T182 CarbonylContact O-C 3.57Å; F150-T182 WeakPolarHBondContact O-CA 3.3Å; N178-T182 WeakPolarHBondContact CB-O 3.43Å; N178-T182 PolarHBondContact N-O 3.08Å; N178-T182 PolarHBondContact ND2-OG1 2.76Å; D180-T182 PolarHBondContact O-N 3.09Å; D180-T182 WeakPolarHBondContact OD1-CB 3.46Å; D180-T182 PolarHBondContact OD1-N 3.43Å; D180-T182 PolarHBondContact OD1-OG1 3.1Å
183	Y	98.5	Very high	95.6	Very high	64 Å²	64	59 Å²	59	25%	0.251	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	164.1	179.2	-58.9	-86.2	0	0	0	111.7	D149 F150 Y151 G153 L175 I176 W181	D149-Y183 PolarHBondContact N-O 2.82Å; F150-Y183 WeakPolarHBondContact CD1-O 3.46Å; F150-Y183 WeakPolarHBondContact CE1-O 3.47Å; F150-Y183 PolarHBondContact N-O 3.11Å; F150-Y183 PolarHBondContact O-N 2.71Å; Y151-Y183 HydrophobicContact CD2-CD2 4.24Å; Y151-Y183 AromaticContact CD2-CE2 3.79Å; Y151-Y183 HydrophobicContact CD2-CE2 3.79Å; Y151-Y183 HydrophobicContact CE2-CE2 4.03Å; G153-Y183 VanDerWaalsContact CA-CD2 3.5Å; L175-Y183 HydrophobicContact CD1-CD1 4.31Å; L175-Y183 HydrophobicContact CD1-CG 4.14Å; L175-Y183 HydrophobicContact CD2-CD1 3.5Å; L175-Y183 HydrophobicContact CD2-CD2 4.45Å; L175-Y183 HydrophobicContact CD2-CE1 3.85Å; L175-Y183 HydrophobicContact CD2-CG 3.83Å; L175-Y183 HydrophobicContact CG-CD1 3.63Å; L175-Y183 HydrophobicContact CG-CE1 4.39Å; L175-Y183 HydrophobicContact CG-CG 3.95Å; I176-Y183 CarbonylContact O-C 3.42Å; I176-Y183 WeakPolarHBondContact O-CA 3.37Å; W181-Y183 WeakPolarHBondContact O-CE2 3.21Å
184	Q	98.4	Very high	95	Very high	63 Å²	63	63 Å²	63	29%	0.294	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	156.1	170.1	66	-179.6	-60.8	0	0	111	V147 I176 N178	V147-Q184 CarbonylContact O-C 3.59Å; V147-Q184 VanDerWaalsContact O-CA 3.24Å; V147-Q184 WeakPolarHBondContact O-CA 3.05Å; I176-Q184 HydrophobicContact CB-CG 3.72Å; I176-Q184 HydrophobicContact CD1-CG 4.38Å; I176-Q184 HydrophobicContact CG2-CG 4.02Å; I176-Q184 PolarHBondContact N-O 3.41Å; I176-Q184 PolarHBondContact O-N 2.65Å; N178-Q184 PolarHBondContact OD1-NE2 3.43Å
185	T	98.6	Very high	94.2	Very high	10 Å²	10	58.7 Å²	58.7	6%	0.061	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	153.7	174.7	-177.8	0	0	0	0	109.8	V147 F150 I155 I157 T173	V147-T185 HydrophobicContact CB-CG2 4.31Å; V147-T185 PolarHBondContact N-O 2.96Å; V147-T185 PolarHBondContact O-N 3.08Å; F150-T185 HydrophobicContact CE1-CG2 4.21Å; F150-T185 HydrophobicContact CZ-CG2 4.1Å; I155-T185 HydrophobicContact CG2-CG2 4.48Å; I157-T185 HydrophobicContact CD1-CG2 3.38Å; T173-T185 PolarHBondContact O-OG1 2.78Å; T173-T185 PolarHBondContact OG1-OG1 2.87Å
186	L	98.3	Very high	93.5	Very high	46 Å²	46	57.9 Å²	57.9	24%	0.241	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.5	175.6	-54.7	177.8	0	0	0	109.1	V144 C145 S146 S172 T173	V144-L186 HydrophobicContact CG1-CB 4.4Å; V144-L186 HydrophobicContact CG1-CD2 4.25Å; C145-L186 WeakPolarHBondContact O-CA 3.32Å; S146-L186 WeakPolarHBondContact OG-CD2 3.19Å; S172-L186 CarbonylContact C-O 3.57Å; S172-L186 WeakPolarHBondContact CA-O 3.47Å; T173-L186 HydrophobicContact CG2-CB 3.89Å; T173-L186 HydrophobicContact CG2-CD1 4.46Å; T173-L186 HydrophobicContact CG2-CG 4.43Å; T173-L186 PolarHBondContact N-O 3.09Å; T173-L186 PolarHBondContact OG1-N 3.41Å
187	V	98.5	Very high	93.1	Very high	6 Å²	6	55.1 Å²	55.1	4%	0.036	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	114.2	173.1	-172.8	0	0	0	0	108.9	C145 I157 W159 V170	C145-V187 WeakPolarHBondContact CB-O 3.47Å; C145-V187 PolarHBondContact N-O 3.31Å; C145-V187 PolarHBondContact O-N 3.27Å; I157-V187 HydrophobicContact CB-CG2 3.82Å; I157-V187 HydrophobicContact CD1-CG2 3.66Å; I157-V187 HydrophobicContact CG1-CG2 4.35Å; I157-V187 HydrophobicContact CG2-CB 3.87Å; I157-V187 HydrophobicContact CG2-CG1 4.27Å; I157-V187 HydrophobicContact CG2-CG2 3.58Å; W159-V187 PolarHBondContact NE1-O 3.44Å; W159-V187 VanDerWaalsContact NE1-O 3.13Å; V170-V187 HydrophobicContact CG1-CG1 3.61Å
188	M	97.6	Very high	93	Very high	37 Å²	37	53.4 Å²	53.4	18%	0.182	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	139.4	-169.3	-61.3	168.8	-72.1	0	0	109.8	L142 L143 V144 V170 V171 T173	L142-M188 HydrophobicContact CD1-CB 3.78Å; L142-M188 HydrophobicContact CD2-CB 3.84Å; L142-M188 HydrophobicContact CD2-CG 3.91Å; L142-M188 HydrophobicContact CD2-SD 3.62Å; L142-M188 HydrophobicContact CG-CB 3.77Å; L142-M188 HydrophobicContact CG-CG 4.28Å; L143-M188 CarbonylContact O-C 3.56Å; L143-M188 VanDerWaalsContact O-CA 3.24Å; L143-M188 WeakPolarHBondContact O-CA 3.05Å; V144-M188 HydrophobicContact CG1-CG 4.31Å; V144-M188 HydrophobicContact CG2-CG 4.26Å; V170-M188 CarbonylContact C-O 3.54Å; V170-M188 VanDerWaalsContact CA-O 3.29Å; V170-M188 WeakPolarHBondContact CA-O 3.45Å; V171-M188 HydrophobicContact CG1-CE 4.3Å; V171-M188 PolarHBondContact N-O 2.86Å; V171-M188 PolarHBondContact O-N 3.02Å; T173-M188 HydrophobicContact CG2-CE 4.05Å
189	L	97	Very high	93	Very high	2 Å²	2	51 Å²	51	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118	177.4	171	65	0	0	0	109.6	L142 L143 W159 E166 T168 V170 Y199	L142-L189 WeakPolarHBondContact CA-O 3.27Å; L143-L189 HydrophobicContact CB-CB 4.38Å; L143-L189 PolarHBondContact N-O 2.84Å; L143-L189 PolarHBondContact O-N 3.36Å; W159-L189 HydrophobicContact CB-CD2 4.39Å; W159-L189 HydrophobicContact CD2-CB 4.05Å; W159-L189 HydrophobicContact CD2-CD2 4.12Å; W159-L189 HydrophobicContact CE3-CD2 4.16Å; W159-L189 HydrophobicContact CG-CB 4.13Å; W159-L189 HydrophobicContact CG-CD2 4.25Å; W159-L189 HydrophobicContact CZ2-CB 4.29Å; E166-L189 HydrophobicContact CG-CD1 3.73Å; T168-L189 WeakPolarHBondContact O-CD1 3.48Å; V170-L189 HydrophobicContact CG2-CD1 3.74Å; L189-Y199 HydrophobicContact CD2-CD1 3.59Å; L189-Y199 HydrophobicContact CD2-CE1 3.82Å
190	E	94.4	Very high	93.2	Very high	127 Å²	127	47.9 Å²	47.9	59%	0.593	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	118.9	173	-67.6	-176.5	174.2	0	0	110.5	L142 G169	L142-E190 HydrophobicContact CD1-CB 4.41Å; L142-E190 HydrophobicContact CD1-CG 3.54Å; G169-E190 PolarHBondContact O-N 2.78Å
191	T	91.8	Very high	93.3	Very high	17 Å²	17	43.6 Å²	43.6	10%	0.104	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	164.8	-177.9	-161.1	0	0	0	0	113	N141 L143 Y199	N141-T191 PolarHBondContact N-O 3.19Å; N141-T191 PolarHBondContact O-N 2.94Å; L143-T191 HydrophobicContact CD1-CG2 3.94Å; L143-T191 HydrophobicContact CG-CG2 4.05Å; T191-Y199 HydrophobicContact CG2-CE1 3.97Å; T191-Y199 PolarHBondContact OG1-OH 2.95Å
192	V	89.7	Confident	93.7	Very high	49 Å²	49	36.4 Å²	36.4	30%	0.297	21%	0.211	S	C	.	.			trans	-113.6	92.1	166.8	-176.2	0	0	0	0	105.9	H140 Q194	H140-V192 VanDerWaalsContact ND1-CG2 3.34Å; H140-V192 WeakPolarHBondContact ND1-CG2 3.16Å; V192-Q194 PolarHBondContact O-N 2.87Å
193	P	84.9	Confident	93.7	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.019	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-66.4	125.5	-169.7	24.4	-31.1	0	0	0	111.1	L137 Y199 W216 A218	L137-P193 HydrophobicContact CB-CG 4.11Å; L137-P193 WeakPolarHBondContact CB-O 3.4Å; L137-P193 HydrophobicContact CD2-CB 3.95Å; L137-P193 HydrophobicContact CD2-CG 3.48Å; L137-P193 VanDerWaalsContact CD2-CG 3.48Å; L137-P193 HydrophobicContact CG-CG 4.38Å; L137-P193 WeakPolarHBondContact O-CD 3.25Å; L137-P193 VanDerWaalsContact O-O 3.08Å; P193-Y199 HydrophobicContact CB-CE2 4.06Å; P193-W216 HydrophobicContact CB-CH2 3.86Å; P193-W216 HydrophobicContact CB-CZ3 3.85Å; P193-W216 HydrophobicContact CG-CH2 4.09Å; P193-A218 HydrophobicContact CB-CB 3.92Å
194	Q	83.4	Confident	93.7	Very high	124 Å²	124	35.4 Å²	35.4	58%	0.579	21%	0.208	S	C	*	.	P	Polyproline II helix	trans	-94.9	150.1	177.4	-59.2	-172.6	-7.3	0	0	111.2	V192 G196 E197 A218	V192-Q194 PolarHBondContact O-N 2.87Å; Q194-G196 PolarHBondContact O-N 2.84Å; Q194-E197 HydrophobicContact CB-CG 4.02Å; Q194-E197 WeakPolarHBondContact CB-OE2 3.44Å; Q194-E197 PolarHBondContact N-OE2 3.43Å; Q194-E197 WeakPolarHBondContact O-CB 3.38Å; Q194-E197 WeakPolarHBondContact O-CG 3.5Å; Q194-E197 PolarHBondContact O-N 2.91Å; Q194-E197 VanDerWaalsContact O-N 3.12Å; Q194-A218 WeakPolarHBondContact O-CB 3.43Å
195	G	80.5	Confident	93.7	Very high	56 Å²	56	33 Å²	33	58%	0.577	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	124	-178.8	0	0	0	0	0	112.1
196	G	83.2	Confident	93.6	Very high	63 Å²	63	35.9 Å²	35.9	65%	0.649	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	97	-10.4	179.9	0	0	0	0	0	114.8	Q194 A218	Q194-G196 PolarHBondContact O-N 2.84Å; G196-A218 PolarHBondContact N-O 3.35Å
197	E	89.8	Confident	93.6	Very high	20 Å²	20	34.5 Å²	34.5	9%	0.093	21%	0.209	C	C	.	.			trans	-69.9	144.6	174.6	-62.5	-165.3	110.6	0	0	112.2	R161 Q194 Y199 A218	R161-E197 IonicContact CZ-OE1 3.69Å; R161-E197 IonicContact CZ-OE2 3.75Å; R161-E197 IonicContact NE-OE1 2.66Å; R161-E197 PolarHBondContact NE-OE1 3.08Å; R161-E197 IonicContact NE-OE2 3.13Å; R161-E197 VanDerWaalsContact NH2-CD 3.27Å; R161-E197 IonicContact NH2-OE1 3.12Å; R161-E197 PolarHBondContact NH2-OE1 3.23Å; R161-E197 IonicContact NH2-OE2 3.87Å; R161-E197 PolarHBondContact NH2-OE2 2.98Å; R161-E197 VanDerWaalsContact NH2-OE2 3.13Å; Q194-E197 HydrophobicContact CB-CG 4.02Å; Q194-E197 WeakPolarHBondContact CB-OE2 3.44Å; Q194-E197 PolarHBondContact N-OE2 3.43Å; Q194-E197 WeakPolarHBondContact O-CB 3.38Å; Q194-E197 WeakPolarHBondContact O-CG 3.5Å; Q194-E197 PolarHBondContact O-N 2.91Å; Q194-E197 VanDerWaalsContact O-N 3.12Å; E197-Y199 HydrophobicContact CB-CD2 4.43Å; E197-Y199 HydrophobicContact CB-CE2 3.79Å; E197-Y199 PolarHBondContact OE2-OH 2.03Å; E197-A218 HydrophobicContact CB-CB 4.35Å; E197-A218 PolarHBondContact O-N 2.9Å
198	V	93.6	Very high	93.5	Very high	34 Å²	34	35.7 Å²	35.7	21%	0.206	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121.3	178	-174	0	0	0	0	108.8	N162 E215 R217	N162-V198 PolarHBondContact N-O 2.82Å; N162-V198 PolarHBondContact OD1-N 3.47Å; V198-E215 HydrophobicContact CG1-CB 4.32Å; V198-E215 HydrophobicContact CG1-CG 4.22Å; V198-R217 HydrophobicContact CG1-CG 4.27Å; V198-R217 HydrophobicContact CG2-CG 4.09Å
199	Y	95.7	Very high	93.5	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.4	174.3	-63.2	-95.8	0	0	0	108.7	L143 F160 R161 L189 T191 P193 E197 E215 W216	L143-Y199 HydrophobicContact CD1-CD1 3.68Å; L143-Y199 HydrophobicContact CD1-CD2 3.71Å; L143-Y199 HydrophobicContact CD1-CE1 4.07Å; L143-Y199 HydrophobicContact CD1-CE2 4.11Å; L143-Y199 HydrophobicContact CD1-CG 3.45Å; L143-Y199 VanDerWaalsContact CD1-CG 3.45Å; F160-Y199 CarbonylContact O-C 3.51Å; F160-Y199 VanDerWaalsContact O-CA 3.31Å; F160-Y199 WeakPolarHBondContact O-CA 3.23Å; R161-Y199 HydrophobicContact CB-CD1 4.37Å; R161-Y199 HydrophobicContact CB-CE1 4.38Å; R161-Y199 HydrophobicContact CG-CD1 4.31Å; R161-Y199 HydrophobicContact CG-CE1 3.96Å; L189-Y199 HydrophobicContact CD2-CD1 3.59Å; L189-Y199 HydrophobicContact CD2-CE1 3.82Å; T191-Y199 HydrophobicContact CG2-CE1 3.97Å; T191-Y199 PolarHBondContact OG1-OH 2.95Å; P193-Y199 HydrophobicContact CB-CE2 4.06Å; E197-Y199 HydrophobicContact CB-CD2 4.43Å; E197-Y199 HydrophobicContact CB-CE2 3.79Å; E197-Y199 PolarHBondContact OE2-OH 2.03Å; Y199-E215 CarbonylContact O-C 3.47Å; Y199-E215 WeakPolarHBondContact O-CA 3.34Å; Y199-W216 AromaticContact CD2-CE3 3.66Å; Y199-W216 HydrophobicContact CD2-CE3 3.66Å; Y199-W216 AromaticContact CD2-CZ3 3.73Å; Y199-W216 HydrophobicContact CD2-CZ3 3.73Å; Y199-W216 HydrophobicContact CE2-CE3 4.38Å; Y199-W216 AromaticContact CE2-CZ3 3.98Å; Y199-W216 HydrophobicContact CE2-CZ3 3.98Å; Y199-W216 HydrophobicContact CG-CE3 4.33Å; Y199-W216 PolarHBondContact N-O 2.98Å; Y199-W216 PolarHBondContact O-N 2.94Å
200	T	98.3	Very high	93.5	Very high	6 Å²	6	44.3 Å²	44.3	4%	0.037	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.8	179.1	-47.2	0	0	0	0	110	W159 F160 R213 V214 E215	W159-T200 CarbonylContact C-O 3.54Å; F160-T200 PolarHBondContact N-O 3.36Å; F160-T200 PolarHBondContact O-N 3.48Å; T200-R213 HydrophobicContact CG2-CB 3.78Å; T200-R213 HydrophobicContact CG2-CG 4.28Å; T200-V214 WeakPolarHBondContact CA-O 3.29Å; T200-E215 HydrophobicContact CG2-CG 4.29Å
201	C	98.6	Very high	93.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	118.1	164.6	-177	0	0	0	0	108.6	V129 C145 W159 R213 V214	V129-C201 HydrophobicContact CG2-CB 3.61Å; C145-C201 HydrophobicContact CB-CB 3.62Å; C145-C201 WeakPolarHBondContact CB-SG 2.82Å; C145-C201 WeakPolarHBondContact SG-CB 3.13Å; C145-C201 CovalentContact SG-SG 2.02Å; C145-C201 PolarHBondContact SG-SG 3.03Å; W159-C201 HydrophobicContact CE3-CB 4.38Å; W159-C201 HydrophobicContact CH2-CB 4.42Å; W159-C201 HydrophobicContact CZ3-CB 4.26Å; C201-R213 WeakPolarHBondContact O-CA 3.46Å; C201-V214 PolarHBondContact N-O 3.1Å; C201-V214 PolarHBondContact O-N 3.24Å
202	Q	98.7	Very high	94	Very high	19 Å²	19	42.6 Å²	42.6	9%	0.089	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.2	172.2	178.5	168	-64.6	0	0	109.5	I157 R158 F160 E204 P211 V212 R213	I157-Q202 WeakPolarHBondContact CA-O 3.5Å; R158-Q202 PolarHBondContact N-O 2.72Å; R158-Q202 PolarHBondContact O-N 3.33Å; F160-Q202 HydrophobicContact CD2-CB 4.05Å; F160-Q202 HydrophobicContact CE2-CB 3.67Å; F160-Q202 HydrophobicContact CE2-CG 4.42Å; Q202-E204 PolarHBondContact NE2-OE1 3.16Å; Q202-P211 HydrophobicContact CG-CB 3.87Å; Q202-V212 CarbonylContact C-O 3.6Å; Q202-V212 VanDerWaalsContact CA-O 3.3Å; Q202-V212 WeakPolarHBondContact CA-O 3.33Å; Q202-R213 HydrophobicContact CB-CG 4.22Å; Q202-R213 HydrophobicContact CG-CG 4.15Å
203	V	98.8	Very high	94.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	121.4	178.3	-178.5	0	0	0	0	109.4	P125 V127 V147 I155 I157 P211 V212	P125-V203 HydrophobicContact CB-CG1 4.48Å; P125-V203 HydrophobicContact CG-CG1 3.93Å; V127-V203 HydrophobicContact CG1-CG2 3.99Å; V127-V203 HydrophobicContact CG2-CB 4.17Å; V127-V203 HydrophobicContact CG2-CG2 3.74Å; V147-V203 HydrophobicContact CG1-CG1 4.2Å; V147-V203 HydrophobicContact CG2-CG2 3.86Å; I155-V203 HydrophobicContact CD1-CG1 3.66Å; I155-V203 HydrophobicContact CG1-CG1 3.96Å; I157-V203 HydrophobicContact CG1-CG1 4.42Å; I157-V203 HydrophobicContact CG1-CG2 4.31Å; I157-V203 HydrophobicContact CG2-CG2 4.33Å; V203-P211 WeakPolarHBondContact O-CA 3.37Å; V203-V212 PolarHBondContact N-O 3.33Å; V203-V212 PolarHBondContact O-N 3.05Å
204	E	98.7	Very high	95.1	Very high	61 Å²	61	47.3 Å²	47.3	29%	0.285	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.8	172.7	-69.2	-178.7	-141.5	0	0	108.9	I155 E156 R158 Q202 P211	I155-E204 WeakPolarHBondContact CG1-O 3.24Å; E156-E204 HydrophobicContact CB-CB 4.23Å; E156-E204 PolarHBondContact N-O 2.85Å; E156-E204 PolarHBondContact O-N 3.21Å; R158-E204 IonicContact CZ-OE1 2.71Å; R158-E204 IonicContact NH1-OE1 2.91Å; R158-E204 IonicContact NH2-OE1 3.77Å; Q202-E204 PolarHBondContact NE2-OE1 3.16Å; E204-P211 HydrophobicContact CG-CB 3.86Å; E204-P211 HydrophobicContact CG-CG 3.92Å
205	H	98.6	Very high	95.7	Very high	13 Å²	13	46.6 Å²	46.6	6%	0.06	29%	0.285	C	S	.	.			trans	-154.3	141.8	-173.6	-177.6	-104.9	0	0	0	110.8	A123 P125 F150 Y151 P152 T154 I155 S207 L208	A123-H205 PolarHBondContact O-CE1 2.66Å; A123-H205 VanDerWaalsContact O-CE1 3.24Å; P125-H205 HydrophobicContact CG-CB 4.29Å; F150-H205 AromaticContact CD2-CD2 3.95Å; F150-H205 AromaticContact CD2-NE2 3.7Å; Y151-H205 VanDerWaalsContact C-CE1 3.47Å; Y151-H205 PolarHBondContact O-CE1 3.34Å; P152-H205 PolarHBondContact O-NE2 3.34Å; T154-H205 PolarHBondContact O-CD2 2.6Å; T154-H205 VanDerWaalsContact O-CD2 3.29Å; I155-H205 HydrophobicContact CD1-CB 4.38Å; I155-H205 HydrophobicContact CG1-CB 4.16Å; H205-S207 PolarHBondContact CE1-OG 3.2Å; H205-S207 WeakPolarHBondContact ND1-CB 3.31Å; H205-S207 PolarHBondContact ND1-N 2.65Å; H205-S207 PolarHBondContact ND1-OG 2.88Å; H205-S207 PolarHBondContact O-N 3.26Å; H205-L208 HydrophobicContact CB-CD1 3.83Å; H205-L208 HydrophobicContact CB-CG 4.13Å; H205-L208 WeakPolarHBondContact O-CB 3.48Å; H205-L208 PolarHBondContact O-N 3.26Å
206	P	96.5	Very high	96.4	Very high	69 Å²	69	45.7 Å²	45.7	45%	0.448	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-13.1	-175.8	-26.8	36.1	0	0	0	116.8	P152 T154	P152-P206 HydrophobicContact CG-CB 4.48Å; P152-P206 HydrophobicContact CG-CG 4.22Å; T154-P206 WeakPolarHBondContact O-CD 3.36Å
207	S	96.6	Very high	96.7	Very high	17 Å²	17	50.6 Å²	50.6	12%	0.119	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-3.4	173.5	73.9	0	0	0	0	113.6	A123 K124 H205	A123-S207 VanDerWaalsContact C-OG 3.32Å; A123-S207 WeakPolarHBondContact O-CB 3.36Å; A123-S207 PolarHBondContact O-OG 3.05Å; K124-S207 VanDerWaalsContact CA-OG 3.26Å; K124-S207 WeakPolarHBondContact CA-OG 3.45Å; K124-S207 VanDerWaalsContact CE-O 3.24Å; K124-S207 WeakPolarHBondContact CE-O 3.37Å; K124-S207 PolarHBondContact N-OG 2.88Å; H205-S207 PolarHBondContact CE1-OG 3.2Å; H205-S207 WeakPolarHBondContact ND1-CB 3.31Å; H205-S207 PolarHBondContact ND1-N 2.65Å; H205-S207 PolarHBondContact ND1-OG 2.88Å; H205-S207 PolarHBondContact O-N 3.26Å
208	L	97.9	Very high	96.5	Very high	32 Å²	32	49.9 Å²	49.9	17%	0.168	26%	0.261	C	S	.	.			trans	-102.6	139.9	178.9	-59	172.1	0	0	0	110.6	K124 P125 H205 S210 V212	K124-L208 HydrophobicContact CB-CD2 4.15Å; K124-L208 HydrophobicContact CD-CD2 4.05Å; K124-L208 HydrophobicContact CG-CD2 3.94Å; P125-L208 HydrophobicContact CG-CD1 3.99Å; P125-L208 HydrophobicContact CG-CG 4.49Å; H205-L208 HydrophobicContact CB-CD1 3.83Å; H205-L208 HydrophobicContact CB-CG 4.13Å; H205-L208 WeakPolarHBondContact O-CB 3.48Å; H205-L208 PolarHBondContact O-N 3.26Å; L208-S210 WeakPolarHBondContact CB-O 3.32Å; L208-V212 HydrophobicContact CD1-CB 4.23Å; L208-V212 HydrophobicContact CD1-CG2 3.71Å; L208-V212 HydrophobicContact CD2-CG2 3.82Å; L208-V212 HydrophobicContact CG-CG2 4.38Å
209	T	96.8	Very high	95.5	Very high	144 Å²	144	56 Å²	56	88%	0.883	28%	0.28	S	S	*	.	S	Bend	trans	-80.2	-23.8	173.5	49.1	0	0	0	0	112.8
210	S	97.7	Very high	93.8	Very high	75 Å²	75	57.8 Å²	57.8	52%	0.524	29%	0.293	S	S	.	.	S	Bend	trans	-147.2	154.1	178.5	57.4	0	0	0	0	109.2	L208 V212	L208-S210 WeakPolarHBondContact CB-O 3.32Å; S210-V212 PolarHBondContact O-N 2.73Å
211	P	98	Very high	92	Very high	62 Å²	62	60.3 Å²	60.3	40%	0.403	31%	0.308	S	S	.	.			trans	-57.3	136.3	177	-21.3	31.3	0	0	0	111.6	Q202 V203 E204	Q202-P211 HydrophobicContact CG-CB 3.87Å; V203-P211 WeakPolarHBondContact O-CA 3.37Å; E204-P211 HydrophobicContact CG-CB 3.86Å; E204-P211 HydrophobicContact CG-CG 3.92Å
212	V	98.2	Very high	90.2	Very high	46 Å²	46	63 Å²	63	28%	0.279	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	131.8	172.3	167.2	0	0	0	0	108.3	V127 Q202 V203 L208 S210 V214	V127-V212 HydrophobicContact CB-CG1 4.3Å; V127-V212 HydrophobicContact CG2-CG1 3.97Å; Q202-V212 CarbonylContact C-O 3.6Å; Q202-V212 VanDerWaalsContact CA-O 3.3Å; Q202-V212 WeakPolarHBondContact CA-O 3.33Å; V203-V212 PolarHBondContact N-O 3.33Å; V203-V212 PolarHBondContact O-N 3.05Å; L208-V212 HydrophobicContact CD1-CB 4.23Å; L208-V212 HydrophobicContact CD1-CG2 3.71Å; L208-V212 HydrophobicContact CD2-CG2 3.82Å; L208-V212 HydrophobicContact CG-CG2 4.38Å; S210-V212 PolarHBondContact O-N 2.73Å; V212-V214 HydrophobicContact CG1-CG2 4.24Å
213	R	98.6	Very high	88.3	Confident	114 Å²	114	63.8 Å²	63.8	43%	0.43	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123.5	177.6	-66.3	-176.8	69.7	106.9	0.9	109.5	T200 C201 Q202	T200-R213 HydrophobicContact CG2-CB 3.78Å; T200-R213 HydrophobicContact CG2-CG 4.28Å; C201-R213 WeakPolarHBondContact O-CA 3.46Å; Q202-R213 HydrophobicContact CB-CG 4.22Å; Q202-R213 HydrophobicContact CG-CG 4.15Å
214	V	98.4	Very high	86.6	Confident	38 Å²	38	69.8 Å²	69.8	23%	0.23	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119.1	175.1	179.9	0	0	0	0	108.9	V127 V129 T200 C201 V212	V127-V214 HydrophobicContact CB-CG2 3.77Å; V127-V214 HydrophobicContact CG1-CB 4.1Å; V127-V214 HydrophobicContact CG1-CG2 3.56Å; V129-V214 HydrophobicContact CB-CG1 4.08Å; V129-V214 HydrophobicContact CG2-CB 3.91Å; V129-V214 HydrophobicContact CG2-CG1 3.68Å; T200-V214 WeakPolarHBondContact CA-O 3.29Å; C201-V214 PolarHBondContact N-O 3.1Å; C201-V214 PolarHBondContact O-N 3.24Å; V212-V214 HydrophobicContact CG1-CG2 4.24Å
215	E	97	Very high	85.1	Confident	108 Å²	108	71.8 Å²	71.8	51%	0.505	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	139.3	179.1	-67.7	-175.9	-176.1	0	0	111.8	V198 Y199 T200 R217	V198-E215 HydrophobicContact CG1-CB 4.32Å; V198-E215 HydrophobicContact CG1-CG 4.22Å; Y199-E215 CarbonylContact O-C 3.47Å; Y199-E215 WeakPolarHBondContact O-CA 3.34Å; T200-E215 HydrophobicContact CG2-CG 4.29Å; E215-R217 IonicContact OE2-CZ 3.86Å; E215-R217 IonicContact OE2-NE 3.66Å; E215-R217 IonicContact OE2-NH2 2.79Å; E215-R217 PolarHBondContact OE2-NH2 2.89Å
216	W	94.1	Very high	83.9	Confident	38 Å²	38	78.2 Å²	78.2	14%	0.144	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.8	165.4	-179.3	92.2	0	0	0	109	V129 P131 L137 L143 P193 Y199 A218	V129-W216 HydrophobicContact CB-CB 4.17Å; V129-W216 HydrophobicContact CG1-CB 3.48Å; V129-W216 VanDerWaalsContact CG1-CB 3.48Å; V129-W216 HydrophobicContact CG1-CG 4.07Å; P131-W216 HydrophobicContact CB-CZ2 4.33Å; P131-W216 HydrophobicContact CG-CZ2 4.28Å; L137-W216 HydrophobicContact CD2-CH2 3.6Å; L137-W216 HydrophobicContact CD2-CZ2 4.11Å; L143-W216 HydrophobicContact CD1-CD2 4.48Å; L143-W216 HydrophobicContact CD1-CE3 3.72Å; L143-W216 HydrophobicContact CD1-CZ3 3.81Å; L143-W216 HydrophobicContact CD2-CD2 3.87Å; L143-W216 HydrophobicContact CD2-CE3 3.76Å; L143-W216 HydrophobicContact CD2-CH2 3.79Å; L143-W216 HydrophobicContact CD2-CZ2 3.91Å; L143-W216 HydrophobicContact CD2-CZ3 3.72Å; L143-W216 HydrophobicContact CG-CE3 4.42Å; L143-W216 HydrophobicContact CG-CZ3 4.38Å; P193-W216 HydrophobicContact CB-CH2 3.86Å; P193-W216 HydrophobicContact CB-CZ3 3.85Å; P193-W216 HydrophobicContact CG-CH2 4.09Å; Y199-W216 AromaticContact CD2-CE3 3.66Å; Y199-W216 HydrophobicContact CD2-CE3 3.66Å; Y199-W216 AromaticContact CD2-CZ3 3.73Å; Y199-W216 HydrophobicContact CD2-CZ3 3.73Å; Y199-W216 HydrophobicContact CE2-CE3 4.38Å; Y199-W216 AromaticContact CE2-CZ3 3.98Å; Y199-W216 HydrophobicContact CE2-CZ3 3.98Å; Y199-W216 HydrophobicContact CG-CE3 4.33Å; Y199-W216 PolarHBondContact N-O 2.98Å; Y199-W216 PolarHBondContact O-N 2.94Å; W216-A218 HydrophobicContact CH2-CB 4.04Å; W216-A218 HydrophobicContact CZ3-CB 3.77Å
217	R	90.6	Very high	82.7	Confident	166 Å²	166	80.6 Å²	80.6	63%	0.626	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.3	-178.7	-59.9	-169.5	-177.8	157.5	3.8	109.9	V198 E215 R219	V198-R217 HydrophobicContact CG1-CG 4.27Å; V198-R217 HydrophobicContact CG2-CG 4.09Å; E215-R217 IonicContact OE2-CZ 3.86Å; E215-R217 IonicContact OE2-NE 3.66Å; E215-R217 IonicContact OE2-NH2 2.79Å; E215-R217 PolarHBondContact OE2-NH2 2.89Å; R217-R219 PolarHBondContact O-N 2.94Å
218	A	84.2	Confident	81.7	Confident	4 Å²	4	85.8 Å²	85.8	3%	0.033	44%	0.438	C	S	.	.			trans	-67	94.9	173.4	0	0	0	0	0	109.5	L137 P193 Q194 G196 E197 W216 S220	L137-A218 HydrophobicContact CD1-CB 4Å; L137-A218 HydrophobicContact CD2-CB 4.45Å; P193-A218 HydrophobicContact CB-CB 3.92Å; Q194-A218 WeakPolarHBondContact O-CB 3.43Å; G196-A218 PolarHBondContact N-O 3.35Å; E197-A218 HydrophobicContact CB-CB 4.35Å; E197-A218 PolarHBondContact O-N 2.9Å; W216-A218 HydrophobicContact CH2-CB 4.04Å; W216-A218 HydrophobicContact CZ3-CB 3.77Å; A218-S220 PolarHBondContact O-N 2.61Å
219	R	74.4	Confident	80.9	Confident	162 Å²	162	88 Å²	88	61%	0.611	46%	0.456	S	S	*	.			trans	-81	107.4	-179.2	-161.8	173.8	-166.3	166.8	2.5	110.2	L137 R217 M227	L137-R219 WeakPolarHBondContact CD1-O 3.17Å; R217-R219 PolarHBondContact O-N 2.94Å; R219-M227 PolarHBondContact NH2-SD 2.83Å; R219-M227 VanDerWaalsContact NH2-SD 3.36Å
220	S	60.2	Low	80.1	Confident	40 Å²	40	83.1 Å²	83.1	28%	0.28	44%	0.435	S	S	.	.			trans	-60.1	143.6	-179.1	73.3	0	0	0	0	112.3	A218 S222 A223 Q224	A218-S220 PolarHBondContact O-N 2.61Å; S220-S222 PolarHBondContact O-N 2.89Å; S220-A223 WeakPolarHBondContact O-CB 3.37Å; S220-A223 PolarHBondContact O-N 3.47Å; S220-A223 PolarHBondContact OG-N 3.47Å; S220-Q224 PolarHBondContact O-N 3.47Å
221	T	60.2	Low	79.5	Confident	58 Å²	58	82.4 Å²	82.4	36%	0.356	43%	0.433	S	S	.	.	H	α-helix	trans	-53.4	-35.3	169.4	51.8	0	0	0	0	111	P136 Q224 N225	P136-T221 HydrophobicContact CB-CG2 4.19Å; T221-Q224 PolarHBondContact O-N 3.24Å; T221-N225 WeakPolarHBondContact O-CB 3.42Å; T221-N225 PolarHBondContact O-N 3.29Å
222	S	59.8	Low	78.8	Confident	57 Å²	57	86 Å²	86	40%	0.399	45%	0.446	S	S	.	.	H	α-helix	trans	-59.3	-44.9	173.8	-172.4	0	0	0	0	112.8	S220 Q224 N225 K226	S220-S222 PolarHBondContact O-N 2.89Å; S222-Q224 VanDerWaalsContact C-N 3.33Å; S222-Q224 PolarHBondContact O-N 3.3Å; S222-N225 PolarHBondContact O-N 3.17Å; S222-K226 WeakPolarHBondContact O-CB 3.44Å; S222-K226 VanDerWaalsContact O-CG 3.26Å; S222-K226 WeakPolarHBondContact O-CG 3.37Å; S222-K226 PolarHBondContact O-N 3.39Å
223	A	58.8	Low	78.4	Confident	36 Å²	36	86 Å²	86	30%	0.298	46%	0.455	S	S	.	.	H	α-helix	trans	-63.7	-40.2	177.2	0	0	0	0	0	111.5	S220 K226 M227	S220-A223 WeakPolarHBondContact O-CB 3.37Å; S220-A223 PolarHBondContact O-N 3.47Å; S220-A223 PolarHBondContact OG-N 3.47Å; A223-K226 PolarHBondContact O-N 3.18Å; A223-M227 WeakPolarHBondContact O-CG 3.47Å; A223-M227 PolarHBondContact O-N 2.91Å; A223-M227 VanDerWaalsContact O-N 3.08Å
224	Q	62.8	Low	78.1	Confident	126 Å²	126	86.9 Å²	86.9	59%	0.589	47%	0.465	S	S	*	.	H	α-helix	trans	-65	-44.1	176.4	-168.5	173.2	-8.9	0	0	111.8	S220 T221 S222 M227 L228	S220-Q224 PolarHBondContact O-N 3.47Å; T221-Q224 PolarHBondContact O-N 3.24Å; S222-Q224 VanDerWaalsContact C-N 3.33Å; S222-Q224 PolarHBondContact O-N 3.3Å; Q224-M227 PolarHBondContact O-N 3.32Å; Q224-L228 PolarHBondContact O-N 3.3Å
225	N	68.9	Low	77.8	Confident	103 Å²	103	88 Å²	88	55%	0.551	48%	0.478	S	S	*	.	H	α-helix	trans	-67.5	-37.1	177.8	-73.1	-5.8	0	0	0	112.5	T221 S222 L228 S229	T221-N225 WeakPolarHBondContact O-CB 3.42Å; T221-N225 PolarHBondContact O-N 3.29Å; S222-N225 PolarHBondContact O-N 3.17Å; N225-L228 PolarHBondContact O-N 3.49Å; N225-S229 WeakPolarHBondContact O-CB 3.27Å; N225-S229 PolarHBondContact O-N 3.23Å
226	K	73.1	Confident	77.7	Confident	147 Å²	147	88 Å²	88	64%	0.639	48%	0.482	S	S	*	.	H	α-helix	trans	-64.3	-42.6	174.8	-77	174.6	-179.1	179.3	0	111.8	S222 A223 L228 S229 G230	S222-K226 WeakPolarHBondContact O-CB 3.44Å; S222-K226 VanDerWaalsContact O-CG 3.26Å; S222-K226 WeakPolarHBondContact O-CG 3.37Å; S222-K226 PolarHBondContact O-N 3.39Å; A223-K226 PolarHBondContact O-N 3.18Å; K226-L228 VanDerWaalsContact C-N 3.34Å; K226-S229 PolarHBondContact O-N 3.1Å; K226-G230 PolarHBondContact O-N 2.62Å
227	M	70.3	Confident	77.8	Confident	120 Å²	120	87.6 Å²	87.6	59%	0.591	49%	0.489	S	S	*	.	H	α-helix	trans	-63.4	-40.8	174.8	-70.7	-171.3	79.9	0	0	111.7	R219 A223 Q224 G230 A231	R219-M227 PolarHBondContact NH2-SD 2.83Å; R219-M227 VanDerWaalsContact NH2-SD 3.36Å; A223-M227 WeakPolarHBondContact O-CG 3.47Å; A223-M227 PolarHBondContact O-N 2.91Å; A223-M227 VanDerWaalsContact O-N 3.08Å; Q224-M227 PolarHBondContact O-N 3.32Å; M227-G230 PolarHBondContact O-N 3.15Å; M227-A231 WeakPolarHBondContact O-CB 3.41Å; M227-A231 PolarHBondContact O-N 3.2Å
228	L	76.5	Confident	78.1	Confident	126 Å²	126	84.9 Å²	84.9	66%	0.66	49%	0.486	S	S	*	.	H	α-helix	trans	-64.8	-43.8	177.4	-169.1	69.4	0	0	0	111.8	Q224 N225 K226 G230 A231 M232	Q224-L228 PolarHBondContact O-N 3.3Å; N225-L228 PolarHBondContact O-N 3.49Å; K226-L228 VanDerWaalsContact C-N 3.34Å; L228-G230 VanDerWaalsContact C-N 3.34Å; L228-G230 PolarHBondContact O-N 2.78Å; L228-A231 PolarHBondContact O-N 3.32Å; L228-M232 WeakPolarHBondContact O-CB 3.37Å; L228-M232 PolarHBondContact O-N 3.46Å
229	S	80.4	Confident	78.6	Confident	78 Å²	78	91.6 Å²	91.6	55%	0.545	52%	0.515	S	S	.	.	H	α-helix	trans	-62.3	-40.6	174.3	-174.4	0	0	0	0	111.9	N225 K226 G233	N225-S229 WeakPolarHBondContact O-CB 3.27Å; N225-S229 PolarHBondContact O-N 3.23Å; K226-S229 PolarHBondContact O-N 3.1Å; S229-G233 PolarHBondContact O-N 3.22Å
230	G	80.8	Confident	79.6	Confident	42 Å²	42	89 Å²	89	43%	0.433	51%	0.512	S	S	.	.	H	α-helix	trans	-67.5	-42.2	177.4	0	0	0	0	0	112.9	K226 M227 L228 G233 M234	K226-G230 PolarHBondContact O-N 2.62Å; M227-G230 PolarHBondContact O-N 3.15Å; L228-G230 VanDerWaalsContact C-N 3.34Å; L228-G230 PolarHBondContact O-N 2.78Å; G230-G233 PolarHBondContact O-N 2.82Å; G230-M234 WeakPolarHBondContact O-CB 3.48Å; G230-M234 PolarHBondContact O-N 2.93Å
231	A	84	Confident	81.4	Confident	59 Å²	59	93 Å²	93	49%	0.488	53%	0.53	S	S	.	.	H	α-helix	trans	-62.9	-42.6	176.1	0	0	0	0	0	111.5	M227 L228 M234 A235	M227-A231 WeakPolarHBondContact O-CB 3.41Å; M227-A231 PolarHBondContact O-N 3.2Å; L228-A231 PolarHBondContact O-N 3.32Å; A231-M234 PolarHBondContact O-N 3.3Å; A231-A235 WeakPolarHBondContact O-CB 3.42Å; A231-A235 PolarHBondContact O-N 2.96Å
232	M	83.6	Confident	83.1	Confident	139 Å²	139	93.1 Å²	93.1	69%	0.685	54%	0.536	S	S	*	.	H	α-helix	trans	-63.8	-40.7	175.8	-167.9	169	65	0	0	111.8	L228 L236	L228-M232 WeakPolarHBondContact O-CB 3.37Å; L228-M232 PolarHBondContact O-N 3.46Å; M232-L236 WeakPolarHBondContact O-CB 3.3Å; M232-L236 PolarHBondContact O-N 2.82Å
233	G	90	Very high	84.8	Confident	44 Å²	44	93.5 Å²	93.5	45%	0.454	54%	0.536	S	S	.	.	H	α-helix	trans	-64.9	-40.5	174.6	0	0	0	0	0	113.4	S229 G230 L236 G237	S229-G233 PolarHBondContact O-N 3.22Å; G230-G233 PolarHBondContact O-N 2.82Å; G233-L236 PolarHBondContact O-N 3.34Å; G233-G237 PolarHBondContact O-N 2.82Å
234	M	91.2	Very high	86.6	Confident	134 Å²	134	93.6 Å²	93.6	66%	0.66	54%	0.541	S	S	*	.	H	α-helix	trans	-67.5	-41.9	178	-167.4	175.3	-64.3	0	0	111.7	G230 A231 L236 G237 L238	G230-M234 WeakPolarHBondContact O-CB 3.48Å; G230-M234 PolarHBondContact O-N 2.93Å; A231-M234 PolarHBondContact O-N 3.3Å; M234-L236 VanDerWaalsContact C-N 3.34Å; M234-L236 PolarHBondContact O-N 2.87Å; M234-G237 PolarHBondContact O-N 2.94Å; M234-L238 HydrophobicContact CG-CD1 4.34Å; M234-L238 WeakPolarHBondContact O-CB 3.35Å; M234-L238 VanDerWaalsContact O-CG 3.32Å; M234-L238 WeakPolarHBondContact O-CG 3.48Å; M234-L238 PolarHBondContact O-N 2.97Å
235	A	93.1	Very high	88.1	Confident	60 Å²	60	92.4 Å²	92.4	50%	0.496	54%	0.538	S	S	.	.	H	α-helix	trans	-60.5	-44.2	174.1	0	0	0	0	0	111.5	A231 L238 F239	A231-A235 WeakPolarHBondContact O-CB 3.42Å; A231-A235 PolarHBondContact O-N 2.96Å; A235-L238 PolarHBondContact O-N 3.44Å; A235-F239 WeakPolarHBondContact O-CB 3.37Å; A235-F239 PolarHBondContact O-N 2.9Å
236	L	94.9	Very high	89.3	Confident	110 Å²	110	92.7 Å²	92.7	58%	0.576	53%	0.534	S	S	*	.	H	α-helix	trans	-63.2	-43.8	176.5	-171.9	67.9	0	0	0	111.9	M232 G233 M234 F239 I240	M232-L236 WeakPolarHBondContact O-CB 3.3Å; M232-L236 PolarHBondContact O-N 2.82Å; G233-L236 PolarHBondContact O-N 3.34Å; M234-L236 VanDerWaalsContact C-N 3.34Å; M234-L236 PolarHBondContact O-N 2.87Å; L236-F239 WeakPolarHBondContact O-CB 3.4Å; L236-F239 PolarHBondContact O-N 3.31Å; L236-I240 HydrophobicContact CG-CD1 4.14Å; L236-I240 VanDerWaalsContact O-CG1 3.31Å; L236-I240 WeakPolarHBondContact O-CG1 3.47Å; L236-I240 PolarHBondContact O-N 3.35Å
237	G	95.6	Very high	90.3	Very high	29 Å²	29	90 Å²	90	30%	0.299	53%	0.526	S	S	.	.	H	α-helix	trans	-62.4	-44.7	176.9	0	0	0	0	0	113	G233 M234 F239 I240 L241	G233-G237 PolarHBondContact O-N 2.82Å; M234-G237 PolarHBondContact O-N 2.94Å; G237-F239 VanDerWaalsContact C-N 3.31Å; G237-F239 PolarHBondContact O-N 2.9Å; G237-I240 PolarHBondContact O-N 3.02Å; G237-L241 WeakPolarHBondContact O-CB 3.2Å; G237-L241 WeakPolarHBondContact O-CG 3.17Å; G237-L241 PolarHBondContact O-N 3.08Å
238	L	96.7	Very high	91.4	Very high	109 Å²	109	91.2 Å²	91.2	57%	0.571	53%	0.525	S	S	*	.	H	α-helix	trans	-63.7	-36.9	175	-71.6	173.4	0	0	0	111.9	M234 A235 L241 A242	M234-L238 HydrophobicContact CG-CD1 4.34Å; M234-L238 WeakPolarHBondContact O-CB 3.35Å; M234-L238 VanDerWaalsContact O-CG 3.32Å; M234-L238 WeakPolarHBondContact O-CG 3.48Å; M234-L238 PolarHBondContact O-N 2.97Å; A235-L238 PolarHBondContact O-N 3.44Å; L238-L241 PolarHBondContact O-N 2.92Å; L238-A242 VanDerWaalsContact O-CB 3.31Å; L238-A242 WeakPolarHBondContact O-CB 3.17Å; L238-A242 PolarHBondContact O-N 2.56Å
239	F	95.8	Very high	92	Very high	145 Å²	145	89.3 Å²	89.3	64%	0.636	52%	0.515	S	S	*	.	H	α-helix	trans	-64.7	-45.9	175.8	-158.9	-88.3	0	0	0	111.5	A235 L236 G237 L241 A242 V243	A235-F239 WeakPolarHBondContact O-CB 3.37Å; A235-F239 PolarHBondContact O-N 2.9Å; L236-F239 WeakPolarHBondContact O-CB 3.4Å; L236-F239 PolarHBondContact O-N 3.31Å; G237-F239 VanDerWaalsContact C-N 3.31Å; G237-F239 PolarHBondContact O-N 2.9Å; F239-L241 VanDerWaalsContact C-N 3.35Å; F239-L241 PolarHBondContact O-N 3.44Å; F239-A242 PolarHBondContact O-N 3.31Å; F239-V243 HydrophobicContact CD1-CG2 3.94Å; F239-V243 HydrophobicContact CE1-CG2 3.81Å; F239-V243 WeakPolarHBondContact O-CB 3.23Å; F239-V243 VanDerWaalsContact O-CG2 3.3Å; F239-V243 WeakPolarHBondContact O-CG2 3.37Å; F239-V243 PolarHBondContact O-N 3.41Å
240	I	96.1	Very high	92.3	Very high	108 Å²	108	93.2 Å²	93.2	55%	0.554	52%	0.518	S	S	*	.	H	α-helix	trans	-61.6	-43.3	176.2	-67.4	166	0	0	0	110.7	L236 G237 V243 G244	L236-I240 HydrophobicContact CG-CD1 4.14Å; L236-I240 VanDerWaalsContact O-CG1 3.31Å; L236-I240 WeakPolarHBondContact O-CG1 3.47Å; L236-I240 PolarHBondContact O-N 3.35Å; G237-I240 PolarHBondContact O-N 3.02Å; I240-V243 PolarHBondContact O-N 3.45Å; I240-G244 PolarHBondContact O-N 3.43Å
241	L	96.3	Very high	92.5	Very high	123 Å²	123	96.7 Å²	96.7	64%	0.644	53%	0.526	S	S	*	.	H	α-helix	trans	-64.1	-43.2	176.8	-74.4	170.3	0	0	0	112.2	G237 L238 F239 G244 L245	G237-L241 WeakPolarHBondContact O-CB 3.2Å; G237-L241 WeakPolarHBondContact O-CG 3.17Å; G237-L241 PolarHBondContact O-N 3.08Å; L238-L241 PolarHBondContact O-N 2.92Å; F239-L241 VanDerWaalsContact C-N 3.35Å; F239-L241 PolarHBondContact O-N 3.44Å; L241-G244 PolarHBondContact O-N 3.46Å; L241-L245 VanDerWaalsContact O-CB 3.26Å; L241-L245 WeakPolarHBondContact O-CB 3.43Å; L241-L245 PolarHBondContact O-N 3.49Å
242	A	96.5	Very high	92.6	Very high	60 Å²	60	98.2 Å²	98.2	50%	0.496	53%	0.526	S	S	.	.	H	α-helix	trans	-64.8	-43.6	177.9	0	0	0	0	0	112	L238 F239 L245 F246	L238-A242 VanDerWaalsContact O-CB 3.31Å; L238-A242 WeakPolarHBondContact O-CB 3.17Å; L238-A242 PolarHBondContact O-N 2.56Å; F239-A242 PolarHBondContact O-N 3.31Å; A242-L245 PolarHBondContact O-N 3.49Å; A242-F246 WeakPolarHBondContact O-CB 3.45Å; A242-F246 PolarHBondContact O-N 3.49Å
243	V	96.4	Very high	92	Very high	65 Å²	65	100.9 Å²	100.9	39%	0.394	53%	0.528	S	S	.	.	H	α-helix	trans	-64.5	-45.2	175.6	172.3	0	0	0	0	110.8	F239 I240 L245 F246 I247	F239-V243 HydrophobicContact CD1-CG2 3.94Å; F239-V243 HydrophobicContact CE1-CG2 3.81Å; F239-V243 WeakPolarHBondContact O-CB 3.23Å; F239-V243 VanDerWaalsContact O-CG2 3.3Å; F239-V243 WeakPolarHBondContact O-CG2 3.37Å; F239-V243 PolarHBondContact O-N 3.41Å; I240-V243 PolarHBondContact O-N 3.45Å; V243-L245 PolarHBondContact O-N 2.9Å; V243-F246 PolarHBondContact O-N 3.17Å; V243-I247 HydrophobicContact CG1-CD1 3.89Å; V243-I247 WeakPolarHBondContact O-CG1 3.37Å; V243-I247 PolarHBondContact O-N 2.85Å
244	G	95.4	Very high	90.8	Very high	38 Å²	38	101.8 Å²	101.8	39%	0.392	53%	0.532	S	S	.	.	H	α-helix	trans	-59.9	-45.4	176.4	0	0	0	0	0	112.4	I240 L241 F246 I247 Y248	I240-G244 PolarHBondContact O-N 3.43Å; L241-G244 PolarHBondContact O-N 3.46Å; G244-F246 PolarHBondContact O-N 3.01Å; G244-I247 PolarHBondContact O-N 3.27Å; G244-Y248 WeakPolarHBondContact O-CB 3.46Å; G244-Y248 PolarHBondContact O-N 3.3Å
245	L	95.5	Very high	89.2	Confident	102 Å²	102	97.6 Å²	97.6	53%	0.534	52%	0.523	S	S	.	.	H	α-helix	trans	-63.2	-40.7	176.2	-174.6	65.3	0	0	0	111.7	L241 A242 V243 Y248 L249	L241-L245 VanDerWaalsContact O-CB 3.26Å; L241-L245 WeakPolarHBondContact O-CB 3.43Å; L241-L245 PolarHBondContact O-N 3.49Å; A242-L245 PolarHBondContact O-N 3.49Å; V243-L245 PolarHBondContact O-N 2.9Å; L245-Y248 HydrophobicContact CD1-CD1 4.48Å; L245-Y248 PolarHBondContact O-N 3.28Å; L245-L249 HydrophobicContact CG-CD1 4.13Å; L245-L249 HydrophobicContact CG-CG 4.5Å; L245-L249 WeakPolarHBondContact O-CB 3.28Å; L245-L249 VanDerWaalsContact O-CG 3.24Å; L245-L249 WeakPolarHBondContact O-CG 3.33Å; L245-L249 PolarHBondContact O-N 3.28Å
246	F	94.3	Very high	87.3	Confident	109 Å²	109	99 Å²	99	48%	0.478	53%	0.529	S	S	.	.	H	α-helix	trans	-63.4	-42.9	176.8	-178.3	-101.5	0	0	0	112.5	A242 V243 G244 L249 R250	A242-F246 WeakPolarHBondContact O-CB 3.45Å; A242-F246 PolarHBondContact O-N 3.49Å; V243-F246 PolarHBondContact O-N 3.17Å; G244-F246 PolarHBondContact O-N 3.01Å; F246-L249 PolarHBondContact O-N 3.13Å; F246-R250 HydrophobicContact CE1-CG 4.37Å; F246-R250 HydrophobicContact CZ-CG 4.49Å; F246-R250 PolarHBondContact O-N 2.96Å
247	I	92.4	Very high	85.3	Confident	91 Å²	91	99.3 Å²	99.3	47%	0.467	54%	0.535	S	S	.	.	H	α-helix	trans	-64.2	-44.4	175.3	-66	167.3	0	0	0	110.5	V243 G244 L249 R250 N251	V243-I247 HydrophobicContact CG1-CD1 3.89Å; V243-I247 WeakPolarHBondContact O-CG1 3.37Å; V243-I247 PolarHBondContact O-N 2.85Å; G244-I247 PolarHBondContact O-N 3.27Å; I247-L249 PolarHBondContact O-N 2.91Å; I247-R250 WeakPolarHBondContact O-CB 3.49Å; I247-R250 PolarHBondContact O-N 3.24Å; I247-N251 PolarHBondContact O-N 3.36Å
248	Y	93.4	Very high	83	Confident	144 Å²	144	102.5 Å²	102.5	57%	0.565	55%	0.553	S	S	*	*	H	α-helix	trans	-58.8	-47.1	176.6	176	-105.1	0	0	0	112.2	G244 L245 R250 N251 L252	G244-Y248 WeakPolarHBondContact O-CB 3.46Å; G244-Y248 PolarHBondContact O-N 3.3Å; L245-Y248 HydrophobicContact CD1-CD1 4.48Å; L245-Y248 PolarHBondContact O-N 3.28Å; Y248-R250 VanDerWaalsContact C-N 3.32Å; Y248-R250 PolarHBondContact O-N 3.36Å; Y248-N251 PolarHBondContact O-N 2.91Å; Y248-L252 HydrophobicContact CD1-CD1 3.74Å; Y248-L252 HydrophobicContact CD2-CD1 4.32Å; Y248-L252 HydrophobicContact CE1-CD1 3.16Å; Y248-L252 HydrophobicContact CE2-CD1 3.81Å; Y248-L252 HydrophobicContact CG-CD1 4.3Å; Y248-L252 PolarHBondContact O-N 3.37Å; Y248-L252 WeakPolarHBondContact OH-CD1 3.43Å
249	L	90	Very high	80.6	Confident	86 Å²	86	106.3 Å²	106.3	45%	0.45	57%	0.567	S	S	.	*	H	α-helix	trans	-63.9	-34.6	176.9	-71	171.6	0	0	0	112.6	L245 F246 I247 R253	L245-L249 HydrophobicContact CG-CD1 4.13Å; L245-L249 HydrophobicContact CG-CG 4.5Å; L245-L249 WeakPolarHBondContact O-CB 3.28Å; L245-L249 VanDerWaalsContact O-CG 3.24Å; L245-L249 WeakPolarHBondContact O-CG 3.33Å; L245-L249 PolarHBondContact O-N 3.28Å; F246-L249 PolarHBondContact O-N 3.13Å; I247-L249 PolarHBondContact O-N 2.91Å; L249-R253 WeakPolarHBondContact O-CG 3.4Å; L249-R253 PolarHBondContact O-N 3.42Å; L249-R253 VanDerWaalsContact O-N 3.09Å
250	R	87.1	Confident	77.9	Confident	160 Å²	160	102.8 Å²	102.8	60%	0.604	57%	0.572	S	S	*	*	H	α-helix	trans	-64.7	-44.9	172.6	-83.1	-173.4	158.6	176.4	-2.2	112	F246 I247 Y248 L252 R253 A254	F246-R250 HydrophobicContact CE1-CG 4.37Å; F246-R250 HydrophobicContact CZ-CG 4.49Å; F246-R250 PolarHBondContact O-N 2.96Å; I247-R250 WeakPolarHBondContact O-CB 3.49Å; I247-R250 PolarHBondContact O-N 3.24Å; Y248-R250 VanDerWaalsContact C-N 3.32Å; Y248-R250 PolarHBondContact O-N 3.36Å; R250-L252 VanDerWaalsContact C-N 3.33Å; R250-L252 PolarHBondContact O-N 2.95Å; R250-R253 PolarHBondContact O-N 3.27Å; R250-A254 PolarHBondContact O-N 2.84Å
251	N	84.9	Confident	75.2	Confident	115 Å²	115	102 Å²	102	62%	0.615	58%	0.582	S	S	*	*	H	α-helix	trans	-64.3	-38.5	176.8	-81.7	-6	0	0	0	112.2	I247 Y248 R253 A254 G255	I247-N251 PolarHBondContact O-N 3.36Å; Y248-N251 PolarHBondContact O-N 2.91Å; N251-R253 PolarHBondContact O-N 3.25Å; N251-A254 PolarHBondContact O-N 2.86Å; N251-G255 PolarHBondContact O-N 3.34Å
252	L	84.6	Confident	72.4	Confident	92 Å²	92	99.5 Å²	99.5	48%	0.482	59%	0.586	S	S	.	*	H	α-helix	trans	-60.8	-43.9	174.4	-112.1	133.7	0	0	0	112.5	Y248 R250 G255 S256	Y248-L252 HydrophobicContact CD1-CD1 3.74Å; Y248-L252 HydrophobicContact CD2-CD1 4.32Å; Y248-L252 HydrophobicContact CE1-CD1 3.16Å; Y248-L252 HydrophobicContact CE2-CD1 3.81Å; Y248-L252 HydrophobicContact CG-CD1 4.3Å; Y248-L252 PolarHBondContact O-N 3.37Å; Y248-L252 WeakPolarHBondContact OH-CD1 3.43Å; R250-L252 VanDerWaalsContact C-N 3.33Å; R250-L252 PolarHBondContact O-N 2.95Å; L252-G255 PolarHBondContact O-N 3.24Å; L252-S256 PolarHBondContact O-N 3.01Å
253	R	71.7	Confident	69.7	Low	194 Å²	194	106.3 Å²	106.3	73%	0.732	61%	0.607	S	S	*	*	H	α-helix	trans	-67.7	-34.4	176.2	-73.5	-179.5	-177.5	176	1.6	112.8	L249 R250 N251 G255 S256	L249-R253 WeakPolarHBondContact O-CG 3.4Å; L249-R253 PolarHBondContact O-N 3.42Å; L249-R253 VanDerWaalsContact O-N 3.09Å; R250-R253 PolarHBondContact O-N 3.27Å; N251-R253 PolarHBondContact O-N 3.25Å; R253-G255 VanDerWaalsContact C-N 3.35Å; R253-S256 PolarHBondContact O-OG 3.35Å; R253-S256 VanDerWaalsContact O-OG 3.09Å
254	A	64.9	Low	66.8	Low	64 Å²	64	107.1 Å²	107.1	53%	0.529	63%	0.629	S	S	.	*	H	α-helix	trans	-67.2	-36.7	176	0	0	0	0	0	111.9	R250 N251	R250-A254 PolarHBondContact O-N 2.84Å; N251-A254 PolarHBondContact O-N 2.86Å
255	G	57	Low	64.2	Low	46 Å²	46	109.7 Å²	109.7	47%	0.474	65%	0.646	S	S	.	*	H	α-helix	trans	-66.6	-37.7	176.4	0	0	0	0	0	113.8	N251 L252 R253 V257 S258	N251-G255 PolarHBondContact O-N 3.34Å; L252-G255 PolarHBondContact O-N 3.24Å; R253-G255 VanDerWaalsContact C-N 3.35Å; G255-V257 VanDerWaalsContact C-N 3.3Å; G255-V257 PolarHBondContact O-N 3.23Å; G255-S258 PolarHBondContact O-N 3.4Å
256	S	53	Low	61.5	Low	88 Å²	88	113.7 Å²	113.7	62%	0.615	66%	0.662	S	S	*	*	H	α-helix	trans	-73.7	-18	-179	56.7	0	0	0	0	114.1	L252 R253	L252-S256 PolarHBondContact O-N 3.01Å; R253-S256 PolarHBondContact O-OG 3.35Å; R253-S256 VanDerWaalsContact O-OG 3.09Å
257	V	53	Low	58.8	Low	117 Å²	117	113.6 Å²	113.6	71%	0.709	68%	0.675	S	S	*	*	H	α-helix	trans	-79.1	-23.2	173.5	177	0	0	0	0	111.7	G255 H259	G255-V257 VanDerWaalsContact C-N 3.3Å; G255-V257 PolarHBondContact O-N 3.23Å; V257-H259 PolarHBondContact O-N 3.16Å
258	S	48.9	Very low	56.3	Low	96 Å²	96	115.2 Å²	115.2	67%	0.671	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-5.7	-175	-154.3	0	0	0	0	115.1	G255	G255-S258 PolarHBondContact O-N 3.4Å
259	H	45.7	Very low	53.6	Low	189 Å²	189	114.7 Å²	114.7	88%	0.875	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	9.3	179.5	-104.3	-69	0	0	0	114.9	V257	V257-H259 PolarHBondContact O-N 3.16Å
260	G	39.5	Very low	51.4	Low	72 Å²	72	115.8 Å²	115.8	74%	0.742	72%	0.722	S	S	*	*	S	Bend	trans	-111.2	41.1	171.3	0	0	0	0	0	112.3
261	A	38.8	Very low	49	Very low	91 Å²	91	119.4 Å²	119.4	75%	0.752	74%	0.735	S	S	*	*			trans	-132.2	91.5	177.1	0	0	0	0	0	109.4
262	G	37.1	Very low	47.2	Very low	70 Å²	70	121.7 Å²	121.7	72%	0.722	75%	0.746	S	S	*	*			trans	150.1	66.4	166.6	0	0	0	0	0	114.9
263	E	39.7	Very low	45.2	Very low	203 Å²	203	124 Å²	124	95%	0.949	77%	0.765	S	S	*	*			trans	-159.8	106	139.9	-110.7	164.9	-173.3	0	0	108.3
264	G	36	Very low	44.1	Very low	83 Å²	83	118.3 Å²	118.3	86%	0.856	77%	0.766	S	S	*	*			trans	-83.9	134.4	175.3	0	0	0	0	0	110.4
265	A	40.1	Very low	43	Very low	91 Å²	91	120.8 Å²	120.8	75%	0.752	78%	0.78	S	S	*	*			trans	-150.1	104.4	153.2	0	0	0	0	0	108.5
266	E	39.9	Very low	42.6	Very low	187 Å²	187	129 Å²	129	87%	0.874	80%	0.796	S	S	*	*			trans	43.6	109.1	142.5	-70.4	170.8	133.7	0	0	121.3
267	S	36.4	Very low	42.1	Very low	106 Å²	106	129 Å²	129	74%	0.741	80%	0.797	S	S	*	*				50.9	105.1	117.7	-171.9	0	0	0	0	118.9
268	S	40.5	Very low	41.7	Very low	126 Å²	126	130.5 Å²	130.5	88%	0.881	80%	0.796	S	S	*	*			trans	-157.2	106	137.6	-78.7	0	0	0	0	110.7	S270	S268-S270 PolarHBondContact O-N 3.09Å
269	T	37.9	Very low	41.6	Very low	133 Å²	133	131.2 Å²	131.2	82%	0.816	80%	0.799	S	S	*	*			trans	-72.8	116.9	170.8	-45.3	0	0	0	0	109.3
270	S	42	Very low	41.6	Very low	109 Å²	109	131.3 Å²	131.3	76%	0.762	80%	0.8	S	S	*	*			trans	-138	110.5	153.1	75.9	0	0	0	0	110.3	S268	S268-S270 PolarHBondContact O-N 3.09Å
271	R	38.7	Very low	42.5	Very low	235 Å²	235	134.6 Å²	134.6	89%	0.887	81%	0.805	S	S	*	*			trans	-75.5	119.4	163.9	-75.7	178.8	-164.7	160.1	5.6	107.2
272	L	47.1	Very low	42.6	Very low	163 Å²	163	133.2 Å²	133.2	85%	0.853	80%	0.8	S	S	*	*			trans	-131.9	101.7	152.2	-92.5	157.9	0	0	0	107.9	G274	L272-G274 PolarHBondContact O-N 2.71Å
273	T	41.8	Very low	43	Very low	142 Å²	142	135.5 Å²	135.5	87%	0.871	80%	0.802	S	S	*	*			trans	-57.2	119.5	160	40.5	0	0	0	0	109.3
274	G	47.6	Very low	43.3	Very low	74 Å²	74	131.1 Å²	131.1	76%	0.763	80%	0.801	S	S	*	*			trans	-144.6	84.5	175	0	0	0	0	0	110	L272	L272-G274 PolarHBondContact O-N 2.71Å
275	S	42.7	Very low	43.5	Very low	115 Å²	115	134.1 Å²	134.1	80%	0.804	80%	0.797	S	S	*	*			trans	-58.2	128	167.6	156.8	0	0	0	0	110.7
276	R	49.5	Very low	43.5	Very low	219 Å²	219	135.4 Å²	135.4	83%	0.826	80%	0.8	S	S	*	*			trans	-155.3	102.3	143.1	-157.2	152.2	-174	170.2	2.1	111.9	E278	R276-E278 IonicContact NE-OE2 3.69Å; R276-E278 IonicContact NH2-OE2 3.43Å
277	S	41.1	Very low	43.7	Very low	89 Å²	89	136.8 Å²	136.8	62%	0.622	82%	0.82	S	S	*	*			trans	-59.1	167.5	151.5	52.4	0	0	0	0	111.2
278	E	45.5	Very low	44.1	Very low	148 Å²	148	138.3 Å²	138.3	69%	0.692	82%	0.824	S	S	*	*			trans	110.4	127.7	171.7	-64.6	167.4	162.1	0	0	111.8	R276	R276-E278 IonicContact NE-OE2 3.69Å; R276-E278 IonicContact NH2-OE2 3.43Å
279	C	46.6	Very low	44.3	Very low	110 Å²	110	138.9 Å²	138.9	74%	0.743	82%	0.821	S	S	*	*			cis	-154.4	145.3	9.3	-101	0	0	0	0	109.3
280	H	45.2	Very low	44.6	Very low	192 Å²	192	139.3 Å²	139.3	89%	0.889	82%	0.822	S	S	*	*			trans	-60.6	128.7	155.8	-90.9	-84.9	0	0	0	109.7
281	T	58	Low	44.8	Very low	140 Å²	140	141.1 Å²	141.1	86%	0.859	83%	0.825	S	S	*	*			trans	-130.7	94.3	150.3	40.5	0	0	0	0	108.4
282	G	41	Very low	45.2	Very low	62 Å²	62	135.2 Å²	135.2	64%	0.639	82%	0.821	S	S	*	*			trans	-72.5	-173.3	155.5	0	0	0	0	0	111.1
283	P	45.5	Very low	45	Very low	119 Å²	119	133.3 Å²	133.3	77%	0.773	82%	0.819	S	S	*	*				-99	152.3	-114.2	35.2	-34.9	0	0	0	113.5
284	A	47.4	Very low	45.3	Very low	110 Å²	110	132.7 Å²	132.7	91%	0.909	82%	0.815	S	S	*	*			trans	-94.4	98.7	163.4	0	0	0	0	0	109.2
285	L	39.4	Very low	45.1	Very low	147 Å²	147	137.2 Å²	137.2	77%	0.77	82%	0.82	S	S	*	*			trans	-98.4	153.4	158.3	-90.6	153.1	0	0	0	107.9
286	S	39.8	Very low	45.3	Very low	117 Å²	117	139.1 Å²	139.1	82%	0.818	82%	0.821	S	S	*	*			trans	67.4	123.7	174.8	48.2	0	0	0	0	115.3
287	V	44.6	Very low	44.9	Very low	216 Å²	216	131.8 Å²	131.8	100%	1.309	82%	0.82	S	S	*	*			cis	-137	0	46.7	173.1	0	0	0	0	111.5

Retrieved 287 of 287 residues in 227.7 ms (Link to these results)

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