A0A3Q0KPC2_SCHMA Loading...

Putative leucine-rich transmembrane proteins

AlphaFold DB , UniProt , Accession A0A3Q0KPC2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 438 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.2	Very low	38.6	Very low	236 Å²	236	160.8 Å²	160.8	100%	1.163	87%	0.865	S	S	*	*				0	116.9	0	-74.2	-177.4	179.1	0	0	107.6
2	L	33.1	Very low	39.4	Very low	173 Å²	173	152.2 Å²	152.2	91%	0.906	83%	0.826	S	S	*	*			trans	-70	126.6	179	-74.5	144.6	0	0	0	109.3
3	F	39.2	Very low	40.7	Very low	205 Å²	205	147 Å²	147	90%	0.899	81%	0.808	S	S	*	*			trans	-130.2	105.3	156	-90.8	-80	0	0	0	108.4
4	S	34.8	Very low	42.2	Very low	112 Å²	112	143.6 Å²	143.6	78%	0.783	80%	0.8	S	S	*	*			trans	-101	130.3	161.4	-165.9	0	0	0	0	106.2
5	S	42.1	Very low	43.4	Very low	116 Å²	116	139.1 Å²	139.1	81%	0.811	78%	0.777	S	S	*	*			trans	-170.1	118.5	156.1	-75.8	0	0	0	0	110
6	A	38.2	Very low	44.6	Very low	98 Å²	98	135 Å²	135	81%	0.81	76%	0.757	S	S	*	*			trans	-62.9	144.8	178.1	0	0	0	0	0	113.2
7	L	40.7	Very low	45.7	Very low	148 Å²	148	133.8 Å²	133.8	78%	0.775	74%	0.744	S	S	*	*			trans	-147	126.4	163.5	-83.5	-178.9	0	0	0	111.1
8	F	40.4	Very low	46.6	Very low	180 Å²	180	132.1 Å²	132.1	79%	0.789	73%	0.732	S	S	*	*			trans	65.8	95.3	159	-65.9	-73.7	0	0	0	118.7
9	F	35.7	Very low	47.4	Very low	213 Å²	213	129.7 Å²	129.7	93%	0.934	72%	0.717	S	S	*	*				45.2	115	76.6	-89	-85	0	0	0	116
10	G	33.8	Very low	48.1	Very low	65 Å²	65	128.5 Å²	128.5	67%	0.67	71%	0.709	S	S	*	*			trans	126.6	101.8	147.7	0	0	0	0	0	116.1	S12	G10-S12 PolarHBondContact O-N 3.41Å
11	K	43.8	Very low	48.8	Very low	223 Å²	223	126.8 Å²	126.8	97%	0.97	70%	0.698	S	S	*	*	S	Bend	trans	43.6	71.5	157.2	-75.9	177	171.8	172.9	0	116.3
12	S	47.5	Very low	49.7	Very low	57 Å²	57	120.1 Å²	120.1	40%	0.399	66%	0.663	S	S	.	*			trans	-150.6	38	170.6	-150.3	0	0	0	0	114.1	G10 S14 V15 T16	G10-S12 PolarHBondContact O-N 3.41Å; S12-S14 VanDerWaalsContact C-N 3.31Å; S12-V15 VanDerWaalsContact OG-CB 3.24Å; S12-V15 WeakPolarHBondContact OG-CB 3.31Å; S12-V15 VanDerWaalsContact OG-CG2 3.31Å; S12-V15 WeakPolarHBondContact OG-CG2 3.34Å; S12-T16 PolarHBondContact O-N 3.2Å; S12-T16 VanDerWaalsContact O-N 3.08Å; S12-T16 PolarHBondContact O-OG1 3.37Å
13	S	57.3	Low	51	Low	85 Å²	85	118.2 Å²	118.2	59%	0.594	65%	0.647	S	S	*	*	H	α-helix	trans	-65.4	-35.9	175.7	-178.8	0	0	0	0	111.6	T16 H17	S13-T16 WeakPolarHBondContact CA-OG1 3.19Å; S13-T16 PolarHBondContact O-OG1 3.28Å; S13-H17 WeakPolarHBondContact O-CB 3.18Å; S13-H17 PolarHBondContact O-CD2 2.74Å; S13-H17 VanDerWaalsContact O-CD2 3.28Å; S13-H17 PolarHBondContact O-N 3.31Å; S13-H17 VanDerWaalsContact O-N 3.09Å
14	S	61.1	Low	52	Low	100 Å²	100	112.9 Å²	112.9	70%	0.699	63%	0.632	S	S	*	*	H	α-helix	trans	-69.9	-41.1	178.3	-169.2	0	0	0	0	112.6	S12 H17 L18	S12-S14 VanDerWaalsContact C-N 3.31Å; S14-H17 PolarHBondContact O-N 3.48Å; S14-L18 WeakPolarHBondContact O-CB 2.91Å; S14-L18 PolarHBondContact O-N 3.13Å
15	V	60.8	Low	53.2	Low	75 Å²	75	111.5 Å²	111.5	46%	0.455	62%	0.615	S	S	.	*	H	α-helix	trans	-74.3	-37.1	-178.9	-168.3	0	0	0	0	111.2	S12 L18 I19	S12-V15 VanDerWaalsContact OG-CB 3.24Å; S12-V15 WeakPolarHBondContact OG-CB 3.31Å; S12-V15 VanDerWaalsContact OG-CG2 3.31Å; S12-V15 WeakPolarHBondContact OG-CG2 3.34Å; V15-L18 PolarHBondContact O-N 3.34Å; V15-I19 HydrophobicContact CG1-CD1 3.83Å; V15-I19 HydrophobicContact CG1-CG1 4.28Å; V15-I19 WeakPolarHBondContact O-CB 3.21Å; V15-I19 WeakPolarHBondContact O-CG1 3.04Å; V15-I19 PolarHBondContact O-N 3.2Å
16	T	62.6	Low	53.9	Low	74 Å²	74	112 Å²	112	45%	0.454	60%	0.6	S	S	.	*	H	α-helix	trans	-65.5	-39	173.6	41.9	0	0	0	0	112	S12 S13 I19 L20	S12-T16 PolarHBondContact O-N 3.2Å; S12-T16 VanDerWaalsContact O-N 3.08Å; S12-T16 PolarHBondContact O-OG1 3.37Å; S13-T16 WeakPolarHBondContact CA-OG1 3.19Å; S13-T16 PolarHBondContact O-OG1 3.28Å; T16-I19 PolarHBondContact O-N 3.34Å; T16-L20 WeakPolarHBondContact O-CB 3.35Å; T16-L20 VanDerWaalsContact O-CG 3.29Å; T16-L20 WeakPolarHBondContact O-CG 3.37Å; T16-L20 PolarHBondContact O-N 2.86Å
17	H	63.1	Low	54.6	Low	115 Å²	115	111.3 Å²	111.3	53%	0.532	59%	0.589	S	S	.	*	H	α-helix	trans	-66.1	-38	171.1	-89.4	-67.4	0	0	0	113	S13 S14 L20 L21	S13-H17 WeakPolarHBondContact O-CB 3.18Å; S13-H17 PolarHBondContact O-CD2 2.74Å; S13-H17 VanDerWaalsContact O-CD2 3.28Å; S13-H17 PolarHBondContact O-N 3.31Å; S13-H17 VanDerWaalsContact O-N 3.09Å; S14-H17 PolarHBondContact O-N 3.48Å; H17-L20 PolarHBondContact O-N 2.8Å; H17-L21 WeakPolarHBondContact O-CB 3.49Å; H17-L21 WeakPolarHBondContact O-CG 3.32Å; H17-L21 PolarHBondContact O-N 2.83Å
18	L	61	Low	55.4	Low	103 Å²	103	110.2 Å²	110.2	54%	0.539	58%	0.583	S	S	.	*	H	α-helix	trans	-67.8	-39.5	176.3	-158.5	78.6	0	0	0	111.7	S14 V15 L21 F22	S14-L18 WeakPolarHBondContact O-CB 2.91Å; S14-L18 PolarHBondContact O-N 3.13Å; V15-L18 PolarHBondContact O-N 3.34Å; L18-L21 PolarHBondContact O-N 2.74Å; L18-F22 WeakPolarHBondContact O-CB 3.24Å; L18-F22 PolarHBondContact O-N 3.08Å
19	I	62.3	Low	56	Low	86 Å²	86	106.5 Å²	106.5	44%	0.441	58%	0.577	S	S	.	*	H	α-helix	trans	-66.8	-42.5	174.7	-70.5	167.1	0	0	0	110.4	V15 T16 F22 F23	V15-I19 HydrophobicContact CG1-CD1 3.83Å; V15-I19 HydrophobicContact CG1-CG1 4.28Å; V15-I19 WeakPolarHBondContact O-CB 3.21Å; V15-I19 WeakPolarHBondContact O-CG1 3.04Å; V15-I19 PolarHBondContact O-N 3.2Å; T16-I19 PolarHBondContact O-N 3.34Å; I19-F22 CarbonylContact O-C 3.52Å; I19-F22 WeakPolarHBondContact O-CB 3.49Å; I19-F22 PolarHBondContact O-N 2.99Å; I19-F23 HydrophobicContact CG2-CD2 3.63Å; I19-F23 HydrophobicContact CG2-CE2 3.59Å; I19-F23 WeakPolarHBondContact O-CD2 3.27Å; I19-F23 PolarHBondContact O-N 3.34Å
20	L	61.6	Low	56.9	Low	106 Å²	106	103.7 Å²	103.7	56%	0.555	57%	0.57	S	S	*	*	H	α-helix	trans	-66.3	-35.9	174.6	-76.5	165.6	0	0	0	112.2	T16 H17 F23 T24	T16-L20 WeakPolarHBondContact O-CB 3.35Å; T16-L20 VanDerWaalsContact O-CG 3.29Å; T16-L20 WeakPolarHBondContact O-CG 3.37Å; T16-L20 PolarHBondContact O-N 2.86Å; H17-L20 PolarHBondContact O-N 2.8Å; L20-F23 PolarHBondContact O-N 3.37Å; L20-T24 WeakPolarHBondContact O-CB 3.49Å; L20-T24 VanDerWaalsContact O-CG2 3.28Å; L20-T24 WeakPolarHBondContact O-CG2 3.22Å; L20-T24 PolarHBondContact O-N 2.91Å; L20-T24 PolarHBondContact O-OG1 3.13Å
21	L	63.2	Low	57.9	Low	92 Å²	92	109.1 Å²	109.1	48%	0.482	58%	0.575	S	S	.	*	H	α-helix	trans	-65.9	-40	170.4	-82.8	163.5	0	0	0	111.2	H17 L18 T24 I25	H17-L21 WeakPolarHBondContact O-CB 3.49Å; H17-L21 WeakPolarHBondContact O-CG 3.32Å; H17-L21 PolarHBondContact O-N 2.83Å; L18-L21 PolarHBondContact O-N 2.74Å; L21-T24 VanDerWaalsContact CA-OG1 3.29Å; L21-T24 WeakPolarHBondContact CA-OG1 3.28Å; L21-T24 PolarHBondContact O-N 3.31Å; L21-T24 PolarHBondContact O-OG1 3.21Å; L21-T24 VanDerWaalsContact O-OG1 3.09Å; L21-I25 HydrophobicContact CB-CD1 4.49Å; L21-I25 VanDerWaalsContact O-CB 3.26Å; L21-I25 WeakPolarHBondContact O-CB 3.3Å; L21-I25 WeakPolarHBondContact O-CD1 3.32Å; L21-I25 WeakPolarHBondContact O-CG1 3.18Å; L21-I25 PolarHBondContact O-N 3.3Å
22	F	61.7	Low	58.6	Low	96 Å²	96	104.5 Å²	104.5	42%	0.421	56%	0.56	S	S	.	*	H	α-helix	trans	-61.8	-49.3	173.7	-145.1	-95.8	0	0	0	110.2	L18 I19 T24 I25 Y26 A351	L18-F22 WeakPolarHBondContact O-CB 3.24Å; L18-F22 PolarHBondContact O-N 3.08Å; I19-F22 CarbonylContact O-C 3.52Å; I19-F22 WeakPolarHBondContact O-CB 3.49Å; I19-F22 PolarHBondContact O-N 2.99Å; F22-T24 PolarHBondContact O-N 3.43Å; F22-I25 PolarHBondContact O-N 2.93Å; F22-Y26 AromaticContact CD1-CD2 3.47Å; F22-Y26 HydrophobicContact CD1-CD2 3.47Å; F22-Y26 VanDerWaalsContact CD1-CD2 3.47Å; F22-Y26 AromaticContact CD1-CE2 3.53Å; F22-Y26 HydrophobicContact CD1-CE2 3.53Å; F22-Y26 HydrophobicContact CD1-CG 4.39Å; F22-Y26 HydrophobicContact CD2-CD2 4.46Å; F22-Y26 HydrophobicContact CD2-CE2 4.04Å; F22-Y26 AromaticContact CE1-CD2 3.55Å; F22-Y26 HydrophobicContact CE1-CD2 3.55Å; F22-Y26 AromaticContact CE1-CE2 3.16Å; F22-Y26 HydrophobicContact CE1-CE2 3.16Å; F22-Y26 HydrophobicContact CE1-CG 4.4Å; F22-Y26 AromaticContact CE1-CZ 3.73Å; F22-Y26 AromaticContact CE2-CE2 3.72Å; F22-Y26 HydrophobicContact CE2-CE2 3.72Å; F22-Y26 AromaticContact CG-CD2 3.97Å; F22-Y26 HydrophobicContact CG-CD2 3.97Å; F22-Y26 AromaticContact CG-CE2 3.97Å; F22-Y26 HydrophobicContact CG-CE2 3.97Å; F22-Y26 HydrophobicContact CZ-CD2 4.11Å; F22-Y26 AromaticContact CZ-CE2 3.27Å; F22-Y26 HydrophobicContact CZ-CE2 3.27Å; F22-Y26 AromaticContact CZ-CZ 3.73Å; F22-Y26 WeakPolarHBondContact O-CB 3.33Å; F22-Y26 WeakPolarHBondContact O-CD2 3.32Å; F22-Y26 PolarHBondContact O-N 3.43Å; F22-A351 HydrophobicContact CE2-CB 4.21Å; F22-A351 HydrophobicContact CZ-CB 4.33Å
23	F	59.1	Low	59.5	Low	133 Å²	133	107.8 Å²	107.8	58%	0.583	57%	0.571	S	S	*	*	H	α-helix	trans	-62.9	-38.6	176.5	-82.2	-71.6	0	0	0	112.5	I19 L20 S27	I19-F23 HydrophobicContact CG2-CD2 3.63Å; I19-F23 HydrophobicContact CG2-CE2 3.59Å; I19-F23 WeakPolarHBondContact O-CD2 3.27Å; I19-F23 PolarHBondContact O-N 3.34Å; L20-F23 PolarHBondContact O-N 3.37Å; F23-S27 WeakPolarHBondContact O-CB 3.49Å; F23-S27 PolarHBondContact O-N 3.03Å; F23-S27 PolarHBondContact O-OG 3.14Å
24	T	60.7	Low	60.6	Low	93 Å²	93	111 Å²	111	57%	0.571	58%	0.576	S	S	*	*	H	α-helix	trans	-73.2	-31.2	177.9	51.1	0	0	0	0	113.5	L20 L21 F22	L20-T24 WeakPolarHBondContact O-CB 3.49Å; L20-T24 VanDerWaalsContact O-CG2 3.28Å; L20-T24 WeakPolarHBondContact O-CG2 3.22Å; L20-T24 PolarHBondContact O-N 2.91Å; L20-T24 PolarHBondContact O-OG1 3.13Å; L21-T24 VanDerWaalsContact CA-OG1 3.29Å; L21-T24 WeakPolarHBondContact CA-OG1 3.28Å; L21-T24 PolarHBondContact O-N 3.31Å; L21-T24 PolarHBondContact O-OG1 3.21Å; L21-T24 VanDerWaalsContact O-OG1 3.09Å; F22-T24 PolarHBondContact O-N 3.43Å
25	I	59.5	Low	61.9	Low	84 Å²	84	107.6 Å²	107.6	43%	0.431	56%	0.557	S	S	.	*	H	α-helix	trans	-75.6	-33.8	174.3	-66	164.5	0	0	0	111.3	L21 F22 I28	L21-I25 HydrophobicContact CB-CD1 4.49Å; L21-I25 VanDerWaalsContact O-CB 3.26Å; L21-I25 WeakPolarHBondContact O-CB 3.3Å; L21-I25 WeakPolarHBondContact O-CD1 3.32Å; L21-I25 WeakPolarHBondContact O-CG1 3.18Å; L21-I25 PolarHBondContact O-N 3.3Å; F22-I25 PolarHBondContact O-N 2.93Å; I25-I28 WeakPolarHBondContact O-CD1 3.4Å; I25-I28 WeakPolarHBondContact O-CG1 3.17Å
26	Y	58.3	Low	63.4	Low	127 Å²	127	106.1 Å²	106.1	50%	0.498	55%	0.55	S	S	.	*	H	α-helix	trans	-88.8	-11.2	176.7	-78.5	-91.8	0	0	0	113.8	F22 I28	F22-Y26 AromaticContact CD1-CD2 3.47Å; F22-Y26 HydrophobicContact CD1-CD2 3.47Å; F22-Y26 VanDerWaalsContact CD1-CD2 3.47Å; F22-Y26 AromaticContact CD1-CE2 3.53Å; F22-Y26 HydrophobicContact CD1-CE2 3.53Å; F22-Y26 HydrophobicContact CD1-CG 4.39Å; F22-Y26 HydrophobicContact CD2-CD2 4.46Å; F22-Y26 HydrophobicContact CD2-CE2 4.04Å; F22-Y26 AromaticContact CE1-CD2 3.55Å; F22-Y26 HydrophobicContact CE1-CD2 3.55Å; F22-Y26 AromaticContact CE1-CE2 3.16Å; F22-Y26 HydrophobicContact CE1-CE2 3.16Å; F22-Y26 HydrophobicContact CE1-CG 4.4Å; F22-Y26 AromaticContact CE1-CZ 3.73Å; F22-Y26 AromaticContact CE2-CE2 3.72Å; F22-Y26 HydrophobicContact CE2-CE2 3.72Å; F22-Y26 AromaticContact CG-CD2 3.97Å; F22-Y26 HydrophobicContact CG-CD2 3.97Å; F22-Y26 AromaticContact CG-CE2 3.97Å; F22-Y26 HydrophobicContact CG-CE2 3.97Å; F22-Y26 HydrophobicContact CZ-CD2 4.11Å; F22-Y26 AromaticContact CZ-CE2 3.27Å; F22-Y26 HydrophobicContact CZ-CE2 3.27Å; F22-Y26 AromaticContact CZ-CZ 3.73Å; F22-Y26 WeakPolarHBondContact O-CB 3.33Å; F22-Y26 WeakPolarHBondContact O-CD2 3.32Å; F22-Y26 PolarHBondContact O-N 3.43Å; Y26-I28 PolarHBondContact O-N 3.35Å
27	S	51.7	Low	65	Low	83 Å²	83	103.7 Å²	103.7	58%	0.58	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	18.9	171.5	-63.5	0	0	0	0	113.1	F23 P29	F23-S27 WeakPolarHBondContact O-CB 3.49Å; F23-S27 PolarHBondContact O-N 3.03Å; F23-S27 PolarHBondContact O-OG 3.14Å; S27-P29 WeakPolarHBondContact O-CD 3.46Å; S27-P29 VanDerWaalsContact O-N 3.11Å
28	I	57.7	Low	66.5	Low	124 Å²	124	104.3 Å²	104.3	64%	0.636	54%	0.539	S	S	*	.	S	Bend	trans	-58.9	119.6	162.9	-62.9	168.1	0	0	0	105.6	I25 Y26 I30	I25-I28 WeakPolarHBondContact O-CD1 3.4Å; I25-I28 WeakPolarHBondContact O-CG1 3.17Å; Y26-I28 PolarHBondContact O-N 3.35Å; I28-I30 PolarHBondContact O-N 3.1Å
29	P	53.4	Low	68	Low	103 Å²	103	102.5 Å²	102.5	67%	0.669	53%	0.534	S	S	*	.			trans	-56.6	117.4	178.4	23	-31.4	0	0	0	106.6	S27 K31	S27-P29 WeakPolarHBondContact O-CD 3.46Å; S27-P29 VanDerWaalsContact O-N 3.11Å; P29-K31 PolarHBondContact O-N 2.79Å
30	I	54.4	Low	69.4	Low	154 Å²	154	101.3 Å²	101.3	79%	0.79	54%	0.537	S	S	*	.			trans	-58.5	97.5	166.9	-60.3	172.1	0	0	0	103.6	I28 I32	I28-I30 PolarHBondContact O-N 3.1Å; I30-I32 VanDerWaalsContact C-N 3.25Å; I30-I32 PolarHBondContact O-N 3.46Å
31	K	54.2	Low	70.7	Confident	178 Å²	178	105.2 Å²	105.2	77%	0.774	55%	0.552	S	S	*	*			trans	-60.8	102.8	166.5	-81.2	-171.2	176.1	-173	0	103.9	P29 I33	P29-K31 PolarHBondContact O-N 2.79Å; K31-I33 VanDerWaalsContact C-N 3.32Å; K31-I33 WeakPolarHBondContact O-CG1 3.38Å; K31-I33 PolarHBondContact O-N 3.05Å
32	I	59.3	Low	72.2	Confident	127 Å²	127	104.4 Å²	104.4	65%	0.651	55%	0.554	S	S	*	*			trans	-54.9	108.2	167.5	-61.2	173.6	0	0	0	103.9	I30 H34	I30-I32 VanDerWaalsContact C-N 3.25Å; I30-I32 PolarHBondContact O-N 3.46Å; I32-H34 VanDerWaalsContact C-N 3.26Å; I32-H34 PolarHBondContact O-CD2 3.48Å; I32-H34 PolarHBondContact O-N 2.62Å
33	I	66.2	Low	73.9	Confident	125 Å²	125	102 Å²	102	64%	0.641	55%	0.547	S	S	*	.			trans	-74.7	94.2	-177.9	-52.9	179.7	0	0	0	104.6	K31 G35 N48	K31-I33 VanDerWaalsContact C-N 3.32Å; K31-I33 WeakPolarHBondContact O-CG1 3.38Å; K31-I33 PolarHBondContact O-N 3.05Å; I33-G35 PolarHBondContact O-N 2.83Å; I33-N48 WeakPolarHBondContact CG2-ND2 3.41Å
34	H	80.9	Confident	75.8	Confident	152 Å²	152	95.7 Å²	95.7	70%	0.704	52%	0.52	S	S	*	.			trans	-63	132	173.2	-73	-80.4	0	0	0	108.4	I32	I32-H34 VanDerWaalsContact C-N 3.26Å; I32-H34 PolarHBondContact O-CD2 3.48Å; I32-H34 PolarHBondContact O-N 2.62Å
35	G	88.1	Confident	77.5	Confident	29 Å²	29	94 Å²	94	30%	0.299	51%	0.507	S	S	.	.			trans	-63.4	145.5	166.9	0	0	0	0	0	110.2	I33 T47	I33-G35 PolarHBondContact O-N 2.83Å; G35-T47 VanDerWaalsContact CA-O 3.32Å; G35-T47 WeakPolarHBondContact CA-O 3.29Å
36	S	92.6	Very high	79.3	Confident	44 Å²	44	90 Å²	90	31%	0.308	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	153.3	171.5	71.2	0	0	0	0	111.3	C46 T47	S36-C46 CarbonylContact O-C 3.54Å; S36-C46 VanDerWaalsContact O-CA 3.26Å; S36-C46 WeakPolarHBondContact O-CA 3.47Å; S36-T47 PolarHBondContact N-O 3.41Å; S36-T47 VanDerWaalsContact N-O 3.17Å; S36-T47 PolarHBondContact O-N 2.52Å
37	C	95.9	Very high	81.2	Confident	23 Å²	23	86.2 Å²	86.2	16%	0.155	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.7	167.7	-74.5	0	0	0	0	108.9	I45 C46 P51 F55	C37-I45 WeakPolarHBondContact CA-O 3.1Å; C37-C46 HydrophobicContact CB-CB 4.19Å; C37-C46 WeakPolarHBondContact CB-SG 3.33Å; C37-C46 WeakPolarHBondContact SG-CB 3.05Å; C37-C46 CovalentContact SG-SG 2.05Å; C37-C46 PolarHBondContact SG-SG 3.02Å; C37-P51 VanDerWaalsContact SG-CA 3.59Å; C37-F55 HydrophobicContact CB-CD1 4.26Å; C37-F55 HydrophobicContact CB-CD2 4.43Å; C37-F55 HydrophobicContact CB-CE1 3.91Å; C37-F55 HydrophobicContact CB-CE2 4.07Å; C37-F55 HydrophobicContact CB-CZ 3.8Å; C37-F55 WeakPolarHBondContact O-CE2 3.36Å
38	E	94.4	Very high	83.3	Confident	128 Å²	128	85.2 Å²	85.2	60%	0.598	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.4	-176.1	-69.8	175.3	-163.9	0	0	110.1	I45	E38-I45 PolarHBondContact N-O 3.4Å; E38-I45 PolarHBondContact O-N 3.22Å
39	P	93.6	Very high	85	Confident	66 Å²	66	83.6 Å²	83.6	43%	0.429	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	135.6	172.2	32.5	-31.1	0	0	0	110.8	I44 F55 L59	P39-I44 HydrophobicContact CB-CG1 4.41Å; P39-F55 HydrophobicContact CG-CZ 4.4Å; P39-L59 HydrophobicContact CB-CD1 4.33Å; P39-L59 HydrophobicContact CB-CD2 4.18Å; P39-L59 HydrophobicContact CG-CD2 4.24Å
40	A	90.4	Very high	87	Confident	60 Å²	60	80.3 Å²	80.3	50%	0.496	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	105.9	171.4	0	0	0	0	0	109.3	S42 V43	A40-S42 PolarHBondContact O-N 2.98Å; A40-S42 VanDerWaalsContact O-N 3.14Å; A40-V43 CarbonylContact C-O 3.56Å; A40-V43 PolarHBondContact N-O 3.25Å; A40-V43 PolarHBondContact O-N 3.29Å
41	Q	90.1	Very high	88.9	Confident	188 Å²	188	73.1 Å²	73.1	88%	0.879	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	-113	-174.1	-57.3	173.8	1.9	0	0	111.7	Y63	Q41-Y63 VanDerWaalsContact O-CE1 3.24Å; Q41-Y63 WeakPolarHBondContact O-CE1 3.41Å
42	S	94.5	Very high	90.8	Very high	76 Å²	76	66.9 Å²	66.9	53%	0.531	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	17.3	178.1	-57.1	0	0	0	0	113	A40 Y63 E64	A40-S42 PolarHBondContact O-N 2.98Å; A40-S42 VanDerWaalsContact O-N 3.14Å; S42-Y63 CarbonylContact O-C 3.46Å; S42-Y63 WeakPolarHBondContact O-CA 3.05Å; S42-E64 PolarHBondContact O-N 3.13Å
43	V	97.4	Very high	92.4	Very high	45 Å²	45	62.4 Å²	62.4	27%	0.273	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	136.9	176.6	-174.3	0	0	0	0	109.2	A40 I45 E64 I66	A40-V43 CarbonylContact C-O 3.56Å; A40-V43 PolarHBondContact N-O 3.25Å; A40-V43 PolarHBondContact O-N 3.29Å; V43-I45 HydrophobicContact CG1-CG1 4.09Å; V43-E64 CarbonylContact C-O 3.16Å; V43-E64 VanDerWaalsContact CA-O 3.29Å; V43-E64 WeakPolarHBondContact CA-O 3.4Å; V43-E64 HydrophobicContact CG1-CG 4.45Å; V43-E64 HydrophobicContact CG2-CB 4.35Å; V43-I66 HydrophobicContact CG1-CD1 4.07Å; V43-I66 HydrophobicContact CG1-CG1 4.43Å
44	I	97.6	Very high	93.8	Very high	0 Å²	0	60 Å²	60	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.3	172.2	-59	165.8	0	0	0	106.9	P39 F55 L56 L59 Y63 E64 L65 I66 I87	P39-I44 HydrophobicContact CB-CG1 4.41Å; I44-F55 HydrophobicContact CD1-CE1 4.35Å; I44-F55 HydrophobicContact CG2-CE1 3.68Å; I44-F55 HydrophobicContact CG2-CZ 3.92Å; I44-L56 HydrophobicContact CD1-CD2 4.05Å; I44-L59 HydrophobicContact CD1-CD1 3.48Å; I44-L59 VanDerWaalsContact CD1-CD1 3.48Å; I44-L59 HydrophobicContact CG1-CD1 4.01Å; I44-Y63 HydrophobicContact CD1-CD1 3.8Å; I44-Y63 HydrophobicContact CD1-CD2 4.47Å; I44-Y63 HydrophobicContact CD1-CE1 4.45Å; I44-Y63 HydrophobicContact CD1-CG 3.8Å; I44-Y63 HydrophobicContact CG1-CD1 3.65Å; I44-Y63 HydrophobicContact CG1-CE1 4.26Å; I44-Y63 HydrophobicContact CG1-CG 4.15Å; I44-E64 PolarHBondContact N-O 3.27Å; I44-L65 HydrophobicContact CB-CD1 3.65Å; I44-L65 HydrophobicContact CG2-CD1 3.47Å; I44-L65 VanDerWaalsContact CG2-CD1 3.47Å; I44-L65 WeakPolarHBondContact O-CA 3.46Å; I44-I66 PolarHBondContact O-N 3.09Å; I44-I87 HydrophobicContact CD1-CD1 4.37Å
45	I	97.3	Very high	94.4	Very high	59 Å²	59	54.8 Å²	54.8	30%	0.303	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.1	175.7	-55.1	177.7	0	0	0	108.3	C37 E38 V43 I66	C37-I45 WeakPolarHBondContact CA-O 3.1Å; E38-I45 PolarHBondContact N-O 3.4Å; E38-I45 PolarHBondContact O-N 3.22Å; V43-I45 HydrophobicContact CG1-CG1 4.09Å; I45-I66 CarbonylContact C-O 3.59Å; I45-I66 WeakPolarHBondContact CA-O 3.38Å; I45-I66 HydrophobicContact CG1-CB 4.49Å; I45-I66 HydrophobicContact CG1-CD1 4.49Å
46	C	97.9	Very high	94.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.8	174.3	-66.4	0	0	0	0	109.9	S36 C37 E49 I66 I67 R68	S36-C46 CarbonylContact O-C 3.54Å; S36-C46 VanDerWaalsContact O-CA 3.26Å; S36-C46 WeakPolarHBondContact O-CA 3.47Å; C37-C46 HydrophobicContact CB-CB 4.19Å; C37-C46 WeakPolarHBondContact CB-SG 3.33Å; C37-C46 WeakPolarHBondContact SG-CB 3.05Å; C37-C46 CovalentContact SG-SG 2.05Å; C37-C46 PolarHBondContact SG-SG 3.02Å; C46-E49 WeakPolarHBondContact CB-O 3.35Å; C46-I66 PolarHBondContact N-O 2.8Å; C46-I67 HydrophobicContact CB-CG1 4.47Å; C46-I67 CarbonylContact O-C 3.56Å; C46-I67 WeakPolarHBondContact O-CA 3.44Å; C46-R68 PolarHBondContact O-N 3.12Å
47	T	97	Very high	94.9	Very high	46 Å²	46	54.6 Å²	54.6	28%	0.282	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.6	179.8	-47.7	0	0	0	0	109.7	G35 S36 E49 R68	G35-T47 VanDerWaalsContact CA-O 3.32Å; G35-T47 WeakPolarHBondContact CA-O 3.29Å; S36-T47 PolarHBondContact N-O 3.41Å; S36-T47 VanDerWaalsContact N-O 3.17Å; S36-T47 PolarHBondContact O-N 2.52Å; T47-E49 PolarHBondContact O-N 2.75Å; T47-E49 VanDerWaalsContact O-N 3.12Å; T47-R68 WeakPolarHBondContact CA-O 3.42Å; T47-R68 HydrophobicContact CG2-CB 4.25Å
48	N	96	Very high	94.8	Very high	63 Å²	63	60.1 Å²	60.1	34%	0.337	34%	0.338	S	S	.	.	S	Bend	trans	61.7	6.6	-177	-40.5	-70.8	0	0	0	115.5	I33 R68 S69	I33-N48 WeakPolarHBondContact CG2-ND2 3.41Å; N48-R68 PolarHBondContact N-O 3.15Å; N48-S69 WeakPolarHBondContact OD1-CB 3.29Å
49	E	93.9	Very high	94.8	Very high	89 Å²	89	55.2 Å²	55.2	42%	0.416	32%	0.315	S	S	.	.	S	Bend	trans	-142.7	145.1	175.4	178.3	172.8	-168.9	0	0	110	C46 T47 V70	C46-E49 WeakPolarHBondContact CB-O 3.35Å; T47-E49 PolarHBondContact O-N 2.75Å; T47-E49 VanDerWaalsContact O-N 3.12Å; E49-V70 VanDerWaalsContact C-CG1 3.47Å; E49-V70 WeakPolarHBondContact O-CG1 3.03Å
50	F	94.8	Very high	94.8	Very high	35 Å²	35	57.7 Å²	57.7	15%	0.154	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-89.4	134.9	171.1	-162	-85.6	0	0	0	108.7	S52 I67 T72 L74 F79 F104 F108	F50-S52 PolarHBondContact O-N 3.19Å; F50-I67 HydrophobicContact CD2-CD1 3.7Å; F50-I67 HydrophobicContact CD2-CG2 4.31Å; F50-I67 HydrophobicContact CE2-CD1 3.26Å; F50-I67 HydrophobicContact CZ-CD1 3.77Å; F50-T72 HydrophobicContact CD2-CG2 4.07Å; F50-L74 HydrophobicContact CD2-CD2 4.07Å; F50-L74 HydrophobicContact CE2-CD2 3.44Å; F50-L74 VanDerWaalsContact CE2-CD2 3.44Å; F50-L74 HydrophobicContact CZ-CD2 3.91Å; F50-F79 HydrophobicContact CD1-CE2 4.3Å; F50-F79 AromaticContact CD1-CZ 3.9Å; F50-F79 HydrophobicContact CD1-CZ 3.9Å; F50-F79 AromaticContact CE1-CE2 3.85Å; F50-F79 HydrophobicContact CE1-CE2 3.85Å; F50-F79 AromaticContact CE1-CZ 3.61Å; F50-F79 HydrophobicContact CE1-CZ 3.61Å; F50-F104 HydrophobicContact CE1-CZ 4.26Å; F50-F104 HydrophobicContact CZ-CE1 4.44Å; F50-F104 AromaticContact CZ-CZ 3.74Å; F50-F104 HydrophobicContact CZ-CZ 3.74Å; F50-F108 HydrophobicContact CE1-CD2 4.28Å; F50-F108 AromaticContact CE1-CE2 3.68Å; F50-F108 HydrophobicContact CE1-CE2 3.68Å; F50-F108 HydrophobicContact CE1-CZ 4.22Å; F50-F108 HydrophobicContact CZ-CD2 4.42Å; F50-F108 AromaticContact CZ-CE2 3.93Å; F50-F108 HydrophobicContact CZ-CE2 3.93Å; F50-F108 HydrophobicContact CZ-CZ 4.14Å
51	P	95.2	Very high	94.9	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.013	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-60.5	133.6	-175	23.2	-32.9	0	0	0	111.7	C37 F55 L56 L65 I67 F79 F108	C37-P51 VanDerWaalsContact SG-CA 3.59Å; P51-F55 HydrophobicContact CB-CD1 4.01Å; P51-F55 HydrophobicContact CB-CE1 4.49Å; P51-L56 HydrophobicContact CB-CD1 4.49Å; P51-L56 HydrophobicContact CB-CD2 4.24Å; P51-L56 HydrophobicContact CB-CG 4.23Å; P51-L65 HydrophobicContact CG-CD1 4.35Å; P51-L65 HydrophobicContact CG-CD2 3.92Å; P51-I67 HydrophobicContact CG-CD1 4.48Å; P51-F79 WeakPolarHBondContact O-CE1 3.33Å; P51-F79 WeakPolarHBondContact O-CZ 3.42Å; P51-F108 HydrophobicContact CG-CZ 4.27Å
52	S	93.8	Very high	95.2	Very high	48 Å²	48	53.2 Å²	53.2	34%	0.336	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-73.6	156.7	172.1	68.7	0	0	0	0	111.4	F50 S54 F55 L56	F50-S52 PolarHBondContact O-N 3.19Å; S52-S54 VanDerWaalsContact C-N 3.29Å; S52-S54 PolarHBondContact O-N 3.14Å; S52-S54 PolarHBondContact OG-OG 3.34Å; S52-F55 WeakPolarHBondContact O-CB 3.38Å; S52-F55 PolarHBondContact O-N 3.22Å; S52-F55 WeakPolarHBondContact OG-CB 3.3Å; S52-F55 PolarHBondContact OG-N 3.49Å; S52-L56 PolarHBondContact O-N 3.37Å; S52-L56 VanDerWaalsContact O-N 3.13Å
53	S	93.8	Very high	95.4	Very high	33 Å²	33	51 Å²	51	23%	0.231	29%	0.288	C	S	.	.	H	α-helix	trans	-67.5	-29	175.2	56	0	0	0	0	113.3	L56 N57 S78	S53-L56 PolarHBondContact O-N 2.65Å; S53-N57 VanDerWaalsContact O-CB 3.31Å; S53-N57 WeakPolarHBondContact O-CB 3.49Å; S53-N57 VanDerWaalsContact O-CG 3.26Å; S53-N57 PolarHBondContact O-N 2.86Å; S53-N57 PolarHBondContact O-ND2 2.98Å; S53-S78 WeakPolarHBondContact CB-O 3.34Å; S53-S78 PolarHBondContact OG-O 2.61Å
54	S	93.7	Very high	95.4	Very high	74 Å²	74	51.7 Å²	51.7	52%	0.517	29%	0.288	S	S	.	.	H	α-helix	trans	-64.9	-41.6	173	58	0	0	0	0	111.6	S52 N57 N58	S52-S54 VanDerWaalsContact C-N 3.29Å; S52-S54 PolarHBondContact O-N 3.14Å; S52-S54 PolarHBondContact OG-OG 3.34Å; S54-N57 PolarHBondContact O-N 2.84Å; S54-N58 PolarHBondContact O-N 2.97Å
55	F	94.7	Very high	95.5	Very high	43 Å²	43	51.7 Å²	51.7	19%	0.189	29%	0.288	C	S	.	.	H	α-helix	trans	-60.4	-49.8	173.4	170.4	-95.7	0	0	0	111.3	C37 P39 I44 P51 S52 N57 N58 L59	C37-F55 HydrophobicContact CB-CD1 4.26Å; C37-F55 HydrophobicContact CB-CD2 4.43Å; C37-F55 HydrophobicContact CB-CE1 3.91Å; C37-F55 HydrophobicContact CB-CE2 4.07Å; C37-F55 HydrophobicContact CB-CZ 3.8Å; C37-F55 WeakPolarHBondContact O-CE2 3.36Å; P39-F55 HydrophobicContact CG-CZ 4.4Å; I44-F55 HydrophobicContact CD1-CE1 4.35Å; I44-F55 HydrophobicContact CG2-CE1 3.68Å; I44-F55 HydrophobicContact CG2-CZ 3.92Å; P51-F55 HydrophobicContact CB-CD1 4.01Å; P51-F55 HydrophobicContact CB-CE1 4.49Å; S52-F55 WeakPolarHBondContact O-CB 3.38Å; S52-F55 PolarHBondContact O-N 3.22Å; S52-F55 WeakPolarHBondContact OG-CB 3.3Å; S52-F55 PolarHBondContact OG-N 3.49Å; F55-N57 VanDerWaalsContact C-N 3.28Å; F55-N57 PolarHBondContact O-N 2.76Å; F55-N58 PolarHBondContact O-N 2.9Å; F55-L59 HydrophobicContact CE1-CD1 3.86Å; F55-L59 HydrophobicContact CZ-CD1 3.93Å
56	L	95.4	Very high	95.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.1	-30.5	179.6	-65.4	179.4	0	0	0	113	I44 P51 S52 S53 N58 L59 F79 Y82 G84 A85 I87 F108	I44-L56 HydrophobicContact CD1-CD2 4.05Å; P51-L56 HydrophobicContact CB-CD1 4.49Å; P51-L56 HydrophobicContact CB-CD2 4.24Å; P51-L56 HydrophobicContact CB-CG 4.23Å; S52-L56 PolarHBondContact O-N 3.37Å; S52-L56 VanDerWaalsContact O-N 3.13Å; S53-L56 PolarHBondContact O-N 2.65Å; L56-N58 VanDerWaalsContact C-N 3.31Å; L56-N58 PolarHBondContact O-N 3.4Å; L56-L59 PolarHBondContact O-N 3.28Å; L56-F79 HydrophobicContact CD1-CD1 4.18Å; L56-F79 HydrophobicContact CD1-CE1 3.91Å; L56-Y82 HydrophobicContact CB-CD2 3.84Å; L56-Y82 HydrophobicContact CB-CE2 3.8Å; L56-Y82 HydrophobicContact CD1-CE2 4.18Å; L56-G84 WeakPolarHBondContact O-CA 3.22Å; L56-A85 HydrophobicContact CD2-CB 4.36Å; L56-A85 PolarHBondContact O-N 2.94Å; L56-I87 HydrophobicContact CD2-CD1 4.37Å; L56-F108 HydrophobicContact CD1-CE2 3.78Å; L56-F108 HydrophobicContact CD1-CZ 4.03Å
57	N	94.8	Very high	95.5	Very high	68 Å²	68	49.7 Å²	49.7	36%	0.364	28%	0.278	S	S	.	.	H	α-helix	trans	-67.3	-27.6	176	-85.5	-22.9	0	0	0	114.1	S53 S54 F55 L59 Y82 Q83 G84	S53-N57 VanDerWaalsContact O-CB 3.31Å; S53-N57 WeakPolarHBondContact O-CB 3.49Å; S53-N57 VanDerWaalsContact O-CG 3.26Å; S53-N57 PolarHBondContact O-N 2.86Å; S53-N57 PolarHBondContact O-ND2 2.98Å; S54-N57 PolarHBondContact O-N 2.84Å; F55-N57 VanDerWaalsContact C-N 3.28Å; F55-N57 PolarHBondContact O-N 2.76Å; N57-L59 PolarHBondContact O-N 2.86Å; N57-Y82 WeakPolarHBondContact OD1-CA 3.33Å; N57-Y82 WeakPolarHBondContact OD1-CB 3.49Å; N57-Q83 PolarHBondContact OD1-N 3.47Å; N57-G84 PolarHBondContact OD1-N 2.77Å
58	N	94.7	Very high	95.6	Very high	140 Å²	140	51.1 Å²	51.1	75%	0.749	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-5.8	177.9	-68.7	-18.9	0	0	0	113	S54 F55 L56	S54-N58 PolarHBondContact O-N 2.97Å; F55-N58 PolarHBondContact O-N 2.9Å; L56-N58 VanDerWaalsContact C-N 3.31Å; L56-N58 PolarHBondContact O-N 3.4Å
59	L	94.6	Very high	95.6	Very high	24 Å²	24	50.6 Å²	50.6	13%	0.126	28%	0.279	C	S	.	.			trans	-106.5	146.3	179.6	-60.2	178.2	0	0	0	110.1	P39 I44 F55 L56 N57 Y63 G84 A85	P39-L59 HydrophobicContact CB-CD1 4.33Å; P39-L59 HydrophobicContact CB-CD2 4.18Å; P39-L59 HydrophobicContact CG-CD2 4.24Å; I44-L59 HydrophobicContact CD1-CD1 3.48Å; I44-L59 VanDerWaalsContact CD1-CD1 3.48Å; I44-L59 HydrophobicContact CG1-CD1 4.01Å; F55-L59 HydrophobicContact CE1-CD1 3.86Å; F55-L59 HydrophobicContact CZ-CD1 3.93Å; L56-L59 PolarHBondContact O-N 3.28Å; N57-L59 PolarHBondContact O-N 2.86Å; L59-Y63 HydrophobicContact CB-CE2 3.96Å; L59-G84 CarbonylContact O-C 3.52Å; L59-G84 WeakPolarHBondContact O-CA 3.15Å; L59-A85 HydrophobicContact CB-CB 3.98Å; L59-A85 PolarHBondContact O-N 2.81Å
60	T	92.6	Very high	95.7	Very high	119 Å²	119	46.6 Å²	46.6	73%	0.73	26%	0.261	S	S	*	.			trans	-129.6	144.1	176.7	60.3	0	0	0	0	110.3	Y63	T60-Y63 WeakPolarHBondContact O-CE2 3.47Å; T60-Y63 PolarHBondContact O-OH 3.1Å
61	G	94.2	Very high	95.8	Very high	42 Å²	42	52.3 Å²	52.3	43%	0.433	29%	0.286	S	S	.	.	S	Bend	trans	101.2	-164.1	-177.2	0	0	0	0	0	113.7	Q86	G61-Q86 PolarHBondContact O-N 2.8Å
62	K	96.2	Very high	95.9	Very high	112 Å²	112	53.8 Å²	53.8	49%	0.487	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131.8	-171.9	-72.5	157.2	171.9	174.8	0	110.1	Q86 K88	K62-Q86 CarbonylContact C-O 3.58Å; K62-Q86 VanDerWaalsContact CA-O 3.32Å; K62-Q86 WeakPolarHBondContact CA-O 3.18Å; K62-Q86 HydrophobicContact CG-CB 4.18Å; K62-K88 HydrophobicContact CB-CD 4.07Å; K62-K88 HydrophobicContact CB-CG 4.17Å; K62-K88 HydrophobicContact CD-CD 3.98Å; K62-K88 VanDerWaalsContact CD-CE 3.46Å; K62-K88 HydrophobicContact CG-CD 4.06Å; K62-K88 HydrophobicContact CG-CG 4.17Å
63	Y	97.8	Very high	96	Very high	30 Å²	30	57.7 Å²	57.7	12%	0.118	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	148	-174.4	-69.5	-93.2	0	0	0	112.8	Q41 S42 I44 L59 T60 A85 Q86 K88	Q41-Y63 VanDerWaalsContact O-CE1 3.24Å; Q41-Y63 WeakPolarHBondContact O-CE1 3.41Å; S42-Y63 CarbonylContact O-C 3.46Å; S42-Y63 WeakPolarHBondContact O-CA 3.05Å; I44-Y63 HydrophobicContact CD1-CD1 3.8Å; I44-Y63 HydrophobicContact CD1-CD2 4.47Å; I44-Y63 HydrophobicContact CD1-CE1 4.45Å; I44-Y63 HydrophobicContact CD1-CG 3.8Å; I44-Y63 HydrophobicContact CG1-CD1 3.65Å; I44-Y63 HydrophobicContact CG1-CE1 4.26Å; I44-Y63 HydrophobicContact CG1-CG 4.15Å; L59-Y63 HydrophobicContact CB-CE2 3.96Å; T60-Y63 WeakPolarHBondContact O-CE2 3.47Å; T60-Y63 PolarHBondContact O-OH 3.1Å; Y63-A85 HydrophobicContact CD2-CB 3.56Å; Y63-A85 HydrophobicContact CE2-CB 3.95Å; Y63-A85 HydrophobicContact CG-CB 4.39Å; Y63-Q86 PolarHBondContact N-O 2.83Å; Y63-K88 PolarHBondContact O-N 2.05Å
64	E	98	Very high	96.1	Very high	59 Å²	59	56.2 Å²	56.2	28%	0.276	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132	154.5	172.5	168.9	162.3	0	0	108.6	S42 V43 I44 I66 R89	S42-E64 PolarHBondContact O-N 3.13Å; V43-E64 CarbonylContact C-O 3.16Å; V43-E64 VanDerWaalsContact CA-O 3.29Å; V43-E64 WeakPolarHBondContact CA-O 3.4Å; V43-E64 HydrophobicContact CG1-CG 4.45Å; V43-E64 HydrophobicContact CG2-CB 4.35Å; I44-E64 PolarHBondContact N-O 3.27Å; E64-I66 HydrophobicContact CG-CG1 4.32Å; E64-R89 CarbonylContact C-O 3.58Å; E64-R89 WeakPolarHBondContact CA-O 3.48Å; E64-R89 HydrophobicContact CB-CB 4.01Å; E64-R89 HydrophobicContact CG-CB 3.87Å; E64-R89 WeakPolarHBondContact OE2-CD 3.47Å
65	L	98.2	Very high	96.1	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.9	179.3	174	62.8	0	0	0	109.6	I44 P51 I67 I87 R89 L90 Q91 F108	I44-L65 HydrophobicContact CB-CD1 3.65Å; I44-L65 HydrophobicContact CG2-CD1 3.47Å; I44-L65 VanDerWaalsContact CG2-CD1 3.47Å; I44-L65 WeakPolarHBondContact O-CA 3.46Å; P51-L65 HydrophobicContact CG-CD1 4.35Å; P51-L65 HydrophobicContact CG-CD2 3.92Å; L65-I67 HydrophobicContact CD1-CG1 4.16Å; L65-I67 HydrophobicContact CD2-CD1 4Å; L65-I67 HydrophobicContact CD2-CG1 4.19Å; L65-I67 HydrophobicContact CG-CD1 4.25Å; L65-I67 HydrophobicContact CG-CG1 3.89Å; L65-I87 HydrophobicContact CB-CD1 4.24Å; L65-I87 HydrophobicContact CB-CG2 3.83Å; L65-I87 HydrophobicContact CD2-CD1 4.42Å; L65-I87 HydrophobicContact CD2-CG1 4.48Å; L65-I87 HydrophobicContact CD2-CG2 4.5Å; L65-R89 PolarHBondContact N-O 3.41Å; L65-L90 HydrophobicContact CB-CD1 4.23Å; L65-L90 HydrophobicContact CD2-CD1 3.89Å; L65-L90 HydrophobicContact CG-CD1 4Å; L65-L90 WeakPolarHBondContact O-CA 3.42Å; L65-Q91 PolarHBondContact O-N 2.93Å; L65-F108 HydrophobicContact CD2-CE1 3.65Å; L65-F108 HydrophobicContact CD2-CZ 3.39Å
66	I	98.3	Very high	96	Very high	16 Å²	16	54.4 Å²	54.4	8%	0.082	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	118.7	176.9	-53.2	175.8	0	0	0	108.2	V43 I44 I45 C46 E64 R68 Q91 E93	V43-I66 HydrophobicContact CG1-CD1 4.07Å; V43-I66 HydrophobicContact CG1-CG1 4.43Å; I44-I66 PolarHBondContact O-N 3.09Å; I45-I66 CarbonylContact C-O 3.59Å; I45-I66 WeakPolarHBondContact CA-O 3.38Å; I45-I66 HydrophobicContact CG1-CB 4.49Å; I45-I66 HydrophobicContact CG1-CD1 4.49Å; C46-I66 PolarHBondContact N-O 2.8Å; E64-I66 HydrophobicContact CG-CG1 4.32Å; I66-R68 HydrophobicContact CG2-CG 4.15Å; I66-Q91 CarbonylContact C-O 3.46Å; I66-Q91 WeakPolarHBondContact CA-O 3.35Å; I66-Q91 HydrophobicContact CG1-CB 4.33Å; I66-Q91 HydrophobicContact CG2-CB 4.49Å; I66-Q91 HydrophobicContact CG2-CG 4.37Å; I66-E93 WeakPolarHBondContact CG2-OE1 3.41Å
67	I	98.1	Very high	95.8	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.3	179.6	-52.6	-178.1	0	0	0	108.4	C46 F50 P51 L65 V70 L90 Q91 I92 E93	C46-I67 HydrophobicContact CB-CG1 4.47Å; C46-I67 CarbonylContact O-C 3.56Å; C46-I67 WeakPolarHBondContact O-CA 3.44Å; F50-I67 HydrophobicContact CD2-CD1 3.7Å; F50-I67 HydrophobicContact CD2-CG2 4.31Å; F50-I67 HydrophobicContact CE2-CD1 3.26Å; F50-I67 HydrophobicContact CZ-CD1 3.77Å; P51-I67 HydrophobicContact CG-CD1 4.48Å; L65-I67 HydrophobicContact CD1-CG1 4.16Å; L65-I67 HydrophobicContact CD2-CD1 4Å; L65-I67 HydrophobicContact CD2-CG1 4.19Å; L65-I67 HydrophobicContact CG-CD1 4.25Å; L65-I67 HydrophobicContact CG-CG1 3.89Å; I67-V70 HydrophobicContact CG2-CB 4.23Å; I67-V70 HydrophobicContact CG2-CG1 3.51Å; I67-V70 HydrophobicContact CG2-CG2 3.63Å; I67-L90 HydrophobicContact CD1-CD1 3.94Å; I67-L90 HydrophobicContact CG1-CD1 4.28Å; I67-Q91 PolarHBondContact N-O 3.21Å; I67-I92 HydrophobicContact CB-CG1 4.39Å; I67-I92 CarbonylContact O-C 3.58Å; I67-I92 WeakPolarHBondContact O-CA 3.35Å; I67-E93 PolarHBondContact O-N 3.5Å
68	R	98	Very high	95.4	Very high	76 Å²	76	62.1 Å²	62.1	29%	0.287	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142.5	-176.7	-59.9	-172.6	167.5	120	6.6	111.8	C46 T47 N48 I66 V70 E93	C46-R68 PolarHBondContact O-N 3.12Å; T47-R68 WeakPolarHBondContact CA-O 3.42Å; T47-R68 HydrophobicContact CG2-CB 4.25Å; N48-R68 PolarHBondContact N-O 3.15Å; I66-R68 HydrophobicContact CG2-CG 4.15Å; R68-V70 PolarHBondContact O-N 2.98Å; R68-E93 WeakPolarHBondContact CA-O 3.46Å; R68-E93 HydrophobicContact CG-CB 4.25Å; R68-E93 IonicContact CZ-OE1 3.81Å; R68-E93 IonicContact CZ-OE2 3.94Å; R68-E93 IonicContact NE-OE1 3.17Å; R68-E93 PolarHBondContact NE-OE1 2.85Å; R68-E93 IonicContact NE-OE2 3.86Å; R68-E93 PolarHBondContact NE-OE2 3.43Å; R68-E93 IonicContact NH2-OE1 3.16Å; R68-E93 PolarHBondContact NH2-OE1 3.3Å; R68-E93 VanDerWaalsContact NH2-OE1 3.09Å; R68-E93 IonicContact NH2-OE2 2.67Å
69	S	97.2	Very high	95.3	Very high	52 Å²	52	56 Å²	56	36%	0.364	29%	0.287	S	S	.	.	S	Bend	trans	58.4	32.3	168.2	-52.7	0	0	0	0	114.5	N48 E93 K94 S95	N48-S69 WeakPolarHBondContact OD1-CB 3.29Å; S69-E93 PolarHBondContact N-O 3.19Å; S69-K94 VanDerWaalsContact CA-O 3.24Å; S69-K94 WeakPolarHBondContact CA-O 3.41Å; S69-K94 PolarHBondContact N-O 2.96Å; S69-S95 PolarHBondContact N-OG 3.31Å
70	V	96.6	Very high	94.9	Very high	6 Å²	6	60.3 Å²	60.3	4%	0.036	31%	0.306	C	S	.	.			trans	-93.9	152.1	176.8	-59.8	0	0	0	0	110.9	E49 I67 R68 T72 S95 T96	E49-V70 VanDerWaalsContact C-CG1 3.47Å; E49-V70 WeakPolarHBondContact O-CG1 3.03Å; I67-V70 HydrophobicContact CG2-CB 4.23Å; I67-V70 HydrophobicContact CG2-CG1 3.51Å; I67-V70 HydrophobicContact CG2-CG2 3.63Å; R68-V70 PolarHBondContact O-N 2.98Å; V70-T72 HydrophobicContact CG2-CG2 4.13Å; V70-S95 WeakPolarHBondContact CG2-OG 3.26Å; V70-S95 PolarHBondContact N-OG 2.93Å; V70-S95 VanDerWaalsContact N-OG 3.09Å; V70-S95 CarbonylContact O-C 3.59Å; V70-S95 WeakPolarHBondContact O-CA 3.38Å; V70-S95 WeakPolarHBondContact O-CB 3.47Å; V70-T96 PolarHBondContact O-N 3Å
71	K	96.7	Very high	94.5	Very high	154 Å²	154	63.2 Å²	63.2	67%	0.67	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	105.4	168.5	-61.5	-171.8	177.1	-177.1	0	107.8	T96 Y98	K71-T96 CarbonylContact C-O 3.57Å; K71-T96 VanDerWaalsContact CA-O 3.31Å; K71-T96 WeakPolarHBondContact CA-O 3.5Å; K71-Y98 HydrophobicContact CB-CE2 4.32Å
72	T	95.8	Very high	94.3	Very high	34 Å²	34	61.7 Å²	61.7	21%	0.209	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	163.2	-167.5	-163.6	0	0	0	0	113.5	F50 V70 L74 T96 I97 Y98	F50-T72 HydrophobicContact CD2-CG2 4.07Å; V70-T72 HydrophobicContact CG2-CG2 4.13Å; T72-L74 HydrophobicContact CG2-CD2 3.75Å; T72-T96 PolarHBondContact N-O 2.7Å; T72-I97 WeakPolarHBondContact O-CA 3.06Å; T72-Y98 WeakPolarHBondContact O-CD2 3.47Å; T72-Y98 PolarHBondContact O-N 3.15Å
73	K	96.1	Very high	94.1	Very high	129 Å²	129	63.8 Å²	63.8	56%	0.561	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	145	156.5	-65.9	177.9	-179.4	-177.1	0	107.7	Y98 S99	K73-Y98 HydrophobicContact CG-CD2 4.36Å; K73-S99 WeakPolarHBondContact CG-OG 3.35Å
74	L	96.5	Very high	93.8	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	92.1	173.4	-61.3	-172.7	0	0	0	108.7	F50 T72 I92 I97 S99 I100 E101 F104 F105	F50-L74 HydrophobicContact CD2-CD2 4.07Å; F50-L74 HydrophobicContact CE2-CD2 3.44Å; F50-L74 VanDerWaalsContact CE2-CD2 3.44Å; F50-L74 HydrophobicContact CZ-CD2 3.91Å; T72-L74 HydrophobicContact CG2-CD2 3.75Å; L74-I92 HydrophobicContact CD1-CD1 4.36Å; L74-I97 HydrophobicContact CD1-CD1 3.92Å; L74-I97 HydrophobicContact CD1-CG2 4.23Å; L74-I97 HydrophobicContact CG-CD1 4.47Å; L74-I97 HydrophobicContact CG-CG2 4.02Å; L74-S99 PolarHBondContact N-O 2.85Å; L74-I100 HydrophobicContact CB-CG1 4.35Å; L74-I100 HydrophobicContact CB-CG2 4.31Å; L74-I100 HydrophobicContact CD1-CD1 4.3Å; L74-I100 HydrophobicContact CD1-CG1 3.92Å; L74-I100 HydrophobicContact CD1-CG2 4.44Å; L74-I100 HydrophobicContact CG-CG1 4.38Å; L74-E101 PolarHBondContact O-N 2.99Å; L74-F104 HydrophobicContact CB-CD1 3.79Å; L74-F104 HydrophobicContact CB-CD2 3.81Å; L74-F104 HydrophobicContact CB-CE1 3.78Å; L74-F104 HydrophobicContact CB-CE2 3.79Å; L74-F104 HydrophobicContact CB-CG 3.82Å; L74-F104 HydrophobicContact CB-CZ 3.78Å; L74-F104 HydrophobicContact CD1-CD1 3.87Å; L74-F104 HydrophobicContact CD1-CE1 3.64Å; L74-F104 HydrophobicContact CD1-CZ 4.3Å; L74-F104 HydrophobicContact CD2-CE1 4.06Å; L74-F104 HydrophobicContact CD2-CZ 3.9Å; L74-F104 HydrophobicContact CG-CD1 4.36Å; L74-F104 HydrophobicContact CG-CE1 4.02Å; L74-F104 HydrophobicContact CG-CZ 4.19Å; L74-F105 HydrophobicContact CD1-CE1 4.13Å; L74-F105 HydrophobicContact CD1-CZ 4.13Å
75	D	93.8	Very high	93.7	Very high	50 Å²	50	59.8 Å²	59.8	27%	0.267	29%	0.286	S	S	.	.			trans	-101.3	148.1	179.5	70.6	94.4	0	0	0	112.8	K77 E101 F104	D75-K77 PolarHBondContact OD1-N 3.28Å; D75-E101 WeakPolarHBondContact CA-OE2 3.32Å; D75-F104 VanDerWaalsContact O-CE2 3.3Å; D75-F104 WeakPolarHBondContact O-CE2 3.32Å
76	I	93.1	Very high	93.6	Very high	30 Å²	30	62.9 Å²	62.9	15%	0.154	30%	0.3	C	S	.	.	S	Bend	trans	-85.2	-24.4	-177.6	71.4	-172.9	0	0	0	112.6	S78 F79 E80 E101 F104 I107	I76-S78 PolarHBondContact O-N 3.34Å; I76-F79 CarbonylContact O-C 3.54Å; I76-F79 WeakPolarHBondContact O-CA 3.49Å; I76-F79 PolarHBondContact O-N 3.27Å; I76-E80 HydrophobicContact CB-CG 4.44Å; I76-E80 HydrophobicContact CG1-CG 4.22Å; I76-E80 WeakPolarHBondContact O-CG 3.3Å; I76-E80 PolarHBondContact O-N 3.15Å; I76-E80 VanDerWaalsContact O-N 3.1Å; I76-E101 WeakPolarHBondContact CG1-OE2 3.39Å; I76-E101 HydrophobicContact CG2-CB 4.05Å; I76-E101 PolarHBondContact N-OE2 2.96Å; I76-F104 HydrophobicContact CG2-CB 4.22Å; I76-F104 HydrophobicContact CG2-CD2 4.21Å; I76-I107 HydrophobicContact CB-CD1 4.15Å; I76-I107 HydrophobicContact CD1-CD1 4.09Å; I76-I107 HydrophobicContact CG2-CD1 3.93Å
77	K	90	Very high	93.6	Very high	166 Å²	166	62.1 Å²	62.1	72%	0.722	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-39	-168.1	-68.9	-177.3	-179.3	177.9	0	112.7	D75 F79	D75-K77 PolarHBondContact OD1-N 3.28Å; K77-F79 VanDerWaalsContact C-N 3.31Å; K77-F79 PolarHBondContact O-N 3.31Å
78	S	86.8	Confident	93.6	Very high	63 Å²	63	64.7 Å²	64.7	44%	0.441	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-20.6	-179.7	-58.4	0	0	0	0	113.5	S53 I76	S53-S78 WeakPolarHBondContact CB-O 3.34Å; S53-S78 PolarHBondContact OG-O 2.61Å; I76-S78 PolarHBondContact O-N 3.34Å
79	F	93.2	Very high	93.6	Very high	11 Å²	11	64.2 Å²	64.2	5%	0.048	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-0.7	-168	-57.2	-76.8	0	0	0	115	F50 P51 L56 I76 K77 K81 Y82 F104 F108	F50-F79 HydrophobicContact CD1-CE2 4.3Å; F50-F79 AromaticContact CD1-CZ 3.9Å; F50-F79 HydrophobicContact CD1-CZ 3.9Å; F50-F79 AromaticContact CE1-CE2 3.85Å; F50-F79 HydrophobicContact CE1-CE2 3.85Å; F50-F79 AromaticContact CE1-CZ 3.61Å; F50-F79 HydrophobicContact CE1-CZ 3.61Å; P51-F79 WeakPolarHBondContact O-CE1 3.33Å; P51-F79 WeakPolarHBondContact O-CZ 3.42Å; L56-F79 HydrophobicContact CD1-CD1 4.18Å; L56-F79 HydrophobicContact CD1-CE1 3.91Å; I76-F79 CarbonylContact O-C 3.54Å; I76-F79 WeakPolarHBondContact O-CA 3.49Å; I76-F79 PolarHBondContact O-N 3.27Å; K77-F79 VanDerWaalsContact C-N 3.31Å; K77-F79 PolarHBondContact O-N 3.31Å; F79-K81 PolarHBondContact O-N 2.81Å; F79-K81 VanDerWaalsContact O-N 3.13Å; F79-Y82 HydrophobicContact CB-CD1 3.87Å; F79-Y82 HydrophobicContact CB-CE1 4.16Å; F79-Y82 AromaticContact CD1-CD1 3.97Å; F79-Y82 HydrophobicContact CD1-CD1 3.97Å; F79-Y82 HydrophobicContact CD1-CE1 4.19Å; F79-Y82 HydrophobicContact CG-CD1 4.44Å; F79-Y82 VanDerWaalsContact O-CD1 3.27Å; F79-Y82 WeakPolarHBondContact O-CD1 3.37Å; F79-F104 HydrophobicContact CD2-CE2 4.32Å; F79-F108 HydrophobicContact CB-CD2 4.48Å; F79-F108 AromaticContact CD1-CD2 3.8Å; F79-F108 HydrophobicContact CD1-CD2 3.8Å; F79-F108 AromaticContact CD1-CE2 3.95Å; F79-F108 HydrophobicContact CD1-CE2 3.95Å; F79-F108 HydrophobicContact CD2-CD2 4.02Å; F79-F108 AromaticContact CE1-CD2 4Å; F79-F108 HydrophobicContact CE1-CD2 4Å; F79-F108 AromaticContact CE1-CE2 3.72Å; F79-F108 HydrophobicContact CE1-CE2 3.72Å; F79-F108 HydrophobicContact CE2-CD2 4.2Å; F79-F108 HydrophobicContact CE2-CE2 4.39Å; F79-F108 AromaticContact CG-CD2 3.83Å; F79-F108 HydrophobicContact CG-CD2 3.83Å; F79-F108 HydrophobicContact CG-CE2 4.4Å; F79-F108 HydrophobicContact CZ-CD2 4.19Å; F79-F108 AromaticContact CZ-CE2 3.97Å; F79-F108 HydrophobicContact CZ-CE2 3.97Å
80	E	85.9	Confident	93.7	Very high	115 Å²	115	61.8 Å²	61.8	54%	0.537	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-29.6	-179.1	-71.6	-179	166.2	0	0	114	I76	I76-E80 HydrophobicContact CB-CG 4.44Å; I76-E80 HydrophobicContact CG1-CG 4.22Å; I76-E80 WeakPolarHBondContact O-CG 3.3Å; I76-E80 PolarHBondContact O-N 3.15Å; I76-E80 VanDerWaalsContact O-N 3.1Å
81	K	84.1	Confident	93.8	Very high	181 Å²	181	64.3 Å²	64.3	79%	0.787	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	2.8	-168.6	-62	-177	-177.4	177.1	0	114.9	F79	F79-K81 PolarHBondContact O-N 2.81Å; F79-K81 VanDerWaalsContact O-N 3.13Å
82	Y	90	Very high	93.8	Very high	10 Å²	10	57 Å²	57	4%	0.039	27%	0.268	C	S	.	.			trans	-74.1	139.6	-178.2	98.9	-92.4	0	0	0	110.1	L56 N57 F79 A85 F108 R110	L56-Y82 HydrophobicContact CB-CD2 3.84Å; L56-Y82 HydrophobicContact CB-CE2 3.8Å; L56-Y82 HydrophobicContact CD1-CE2 4.18Å; N57-Y82 WeakPolarHBondContact OD1-CA 3.33Å; N57-Y82 WeakPolarHBondContact OD1-CB 3.49Å; F79-Y82 HydrophobicContact CB-CD1 3.87Å; F79-Y82 HydrophobicContact CB-CE1 4.16Å; F79-Y82 AromaticContact CD1-CD1 3.97Å; F79-Y82 HydrophobicContact CD1-CD1 3.97Å; F79-Y82 HydrophobicContact CD1-CE1 4.19Å; F79-Y82 HydrophobicContact CG-CD1 4.44Å; F79-Y82 VanDerWaalsContact O-CD1 3.27Å; F79-Y82 WeakPolarHBondContact O-CD1 3.37Å; Y82-A85 WeakPolarHBondContact CE2-O 3.31Å; Y82-A85 PolarHBondContact OH-O 2.84Å; Y82-A85 VanDerWaalsContact OH-O 3.08Å; Y82-F108 WeakPolarHBondContact CE1-O 3.49Å; Y82-F108 VanDerWaalsContact CZ-O 3.31Å; Y82-F108 PolarHBondContact OH-O 2.83Å; Y82-R110 HydrophobicContact CE1-CG 3.97Å; Y82-R110 HydrophobicContact CE2-CG 4.26Å
83	Q	91.7	Very high	93.9	Very high	155 Å²	155	56.5 Å²	56.5	72%	0.724	26%	0.263	S	S	*	.			trans	-120.2	-1.5	-172.4	-62.1	-173.1	14.5	0	0	113.9	N57 R110	N57-Q83 PolarHBondContact OD1-N 3.47Å; Q83-R110 VanDerWaalsContact C-NH1 3.34Å; Q83-R110 VanDerWaalsContact O-CZ 3.25Å; Q83-R110 PolarHBondContact O-NH1 3.16Å
84	G	92.7	Very high	94	Very high	6 Å²	6	56.7 Å²	56.7	6%	0.062	26%	0.264	C	S	.	.	S	Bend	trans	-75.6	-123	-179.9	0	0	0	0	0	113.7	L56 N57 L59 R110	L56-G84 WeakPolarHBondContact O-CA 3.22Å; N57-G84 PolarHBondContact OD1-N 2.77Å; L59-G84 CarbonylContact O-C 3.52Å; L59-G84 WeakPolarHBondContact O-CA 3.15Å; G84-R110 PolarHBondContact O-NH1 3.33Å
85	A	95	Very high	94.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	26%	0.264	C	S	.	.			trans	-49.6	140.3	-172.2	0	0	0	0	0	113.8	L56 L59 Y63 Y82 I87	L56-A85 HydrophobicContact CD2-CB 4.36Å; L56-A85 PolarHBondContact O-N 2.94Å; L59-A85 HydrophobicContact CB-CB 3.98Å; L59-A85 PolarHBondContact O-N 2.81Å; Y63-A85 HydrophobicContact CD2-CB 3.56Å; Y63-A85 HydrophobicContact CE2-CB 3.95Å; Y63-A85 HydrophobicContact CG-CB 4.39Å; Y82-A85 WeakPolarHBondContact CE2-O 3.31Å; Y82-A85 PolarHBondContact OH-O 2.84Å; Y82-A85 VanDerWaalsContact OH-O 3.08Å; A85-I87 HydrophobicContact CB-CD1 4.08Å
86	Q	96	Very high	94.3	Very high	65 Å²	65	55.2 Å²	55.2	30%	0.304	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	112.9	168.2	-70.5	-177	-16.6	0	0	109	G61 K62 Y63 K88	G61-Q86 PolarHBondContact O-N 2.8Å; K62-Q86 CarbonylContact C-O 3.58Å; K62-Q86 VanDerWaalsContact CA-O 3.32Å; K62-Q86 WeakPolarHBondContact CA-O 3.18Å; K62-Q86 HydrophobicContact CG-CB 4.18Å; Y63-Q86 PolarHBondContact N-O 2.83Å; Q86-K88 PolarHBondContact O-N 3.17Å
87	I	97.6	Very high	94.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	102.7	-176.8	-51	-52.3	0	0	0	110.5	I44 L56 L65 A85 R89 L90 F108 S109 S112 L113	I44-I87 HydrophobicContact CD1-CD1 4.37Å; L56-I87 HydrophobicContact CD2-CD1 4.37Å; L65-I87 HydrophobicContact CB-CD1 4.24Å; L65-I87 HydrophobicContact CB-CG2 3.83Å; L65-I87 HydrophobicContact CD2-CD1 4.42Å; L65-I87 HydrophobicContact CD2-CG1 4.48Å; L65-I87 HydrophobicContact CD2-CG2 4.5Å; A85-I87 HydrophobicContact CB-CD1 4.08Å; I87-R89 WeakPolarHBondContact CG2-O 3.32Å; I87-L90 HydrophobicContact CG2-CB 4.33Å; I87-F108 HydrophobicContact CB-CE1 4.37Å; I87-F108 HydrophobicContact CG1-CE1 3.93Å; I87-F108 HydrophobicContact CG1-CZ 4.38Å; I87-F108 HydrophobicContact CG2-CE1 4.32Å; I87-S109 VanDerWaalsContact O-CB 3.29Å; I87-S109 WeakPolarHBondContact O-CB 3.4Å; I87-S112 PolarHBondContact N-OG 3.3Å; I87-S112 CarbonylContact O-C 3.59Å; I87-S112 PolarHBondContact O-OG 3.03Å; I87-L113 HydrophobicContact CG2-CD1 4.42Å; I87-L113 PolarHBondContact O-N 2.9Å
88	K	98	Very high	94.8	Very high	54 Å²	54	51.3 Å²	51.3	24%	0.235	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-32.3	178	-79.8	-161.2	157.3	-156.5	0	113.8	K62 Y63 Q86 S112 E114 R115	K62-K88 HydrophobicContact CB-CD 4.07Å; K62-K88 HydrophobicContact CB-CG 4.17Å; K62-K88 HydrophobicContact CD-CD 3.98Å; K62-K88 VanDerWaalsContact CD-CE 3.46Å; K62-K88 HydrophobicContact CG-CD 4.06Å; K62-K88 HydrophobicContact CG-CG 4.17Å; Y63-K88 PolarHBondContact O-N 2.05Å; Q86-K88 PolarHBondContact O-N 3.17Å; K88-S112 WeakPolarHBondContact CA-O 3.45Å; K88-E114 WeakPolarHBondContact CE-OE1 3.45Å; K88-E114 IonicContact NZ-OE1 3.94Å; K88-E114 PolarHBondContact NZ-OE1 3.19Å; K88-E114 IonicContact NZ-OE2 2.65Å; K88-E114 PolarHBondContact O-N 3.3Å; K88-R115 PolarHBondContact O-N 3.34Å; K88-R115 VanDerWaalsContact O-N 3.16Å
89	R	98.5	Very high	95.2	Very high	65 Å²	65	50.5 Å²	50.5	25%	0.245	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127.9	179	-55.9	-170.8	-162.7	-52.3	3.6	108.2	E64 L65 I87 E114 R115	E64-R89 CarbonylContact C-O 3.58Å; E64-R89 WeakPolarHBondContact CA-O 3.48Å; E64-R89 HydrophobicContact CB-CB 4.01Å; E64-R89 HydrophobicContact CG-CB 3.87Å; E64-R89 WeakPolarHBondContact OE2-CD 3.47Å; L65-R89 PolarHBondContact N-O 3.41Å; I87-R89 WeakPolarHBondContact CG2-O 3.32Å; R89-E114 IonicContact NH1-OE2 2.69Å; R89-R115 WeakPolarHBondContact CA-O 3.01Å; R89-R115 HydrophobicContact CB-CB 4.41Å; R89-R115 HydrophobicContact CG-CB 4.14Å; R89-R115 HydrophobicContact CG-CG 4.29Å; R89-R115 VanDerWaalsContact NH2-CZ 3.34Å
90	L	98.6	Very high	95.4	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.9	174.8	178	59.5	0	0	0	108.8	L65 I67 I87 I92 F105 F108 L113 R115 L116 S117	L65-L90 HydrophobicContact CB-CD1 4.23Å; L65-L90 HydrophobicContact CD2-CD1 3.89Å; L65-L90 HydrophobicContact CG-CD1 4Å; L65-L90 WeakPolarHBondContact O-CA 3.42Å; I67-L90 HydrophobicContact CD1-CD1 3.94Å; I67-L90 HydrophobicContact CG1-CD1 4.28Å; I87-L90 HydrophobicContact CG2-CB 4.33Å; L90-I92 HydrophobicContact CD1-CG1 4.19Å; L90-I92 HydrophobicContact CD2-CD1 4.37Å; L90-I92 HydrophobicContact CG-CG1 4.18Å; L90-F105 HydrophobicContact CD2-CD1 3.7Å; L90-F105 HydrophobicContact CD2-CE1 3.77Å; L90-F108 HydrophobicContact CD1-CE1 4.32Å; L90-F108 HydrophobicContact CD2-CD1 4.35Å; L90-F108 HydrophobicContact CD2-CE1 4.33Å; L90-L113 HydrophobicContact CB-CD1 3.64Å; L90-R115 PolarHBondContact N-O 3.36Å; L90-L116 HydrophobicContact CB-CD1 4.19Å; L90-L116 HydrophobicContact CD2-CD1 4.03Å; L90-L116 HydrophobicContact CG-CD1 4.16Å; L90-L116 CarbonylContact O-C 3.5Å; L90-L116 WeakPolarHBondContact O-CA 3.29Å; L90-S117 PolarHBondContact O-N 3.11Å
91	Q	98.5	Very high	95.9	Very high	58 Å²	58	48.6 Å²	48.6	27%	0.271	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120	174.5	178.2	159.4	-30	0	0	109	L65 I66 I67 E93 S117	L65-Q91 PolarHBondContact O-N 2.93Å; I66-Q91 CarbonylContact C-O 3.46Å; I66-Q91 WeakPolarHBondContact CA-O 3.35Å; I66-Q91 HydrophobicContact CG1-CB 4.33Å; I66-Q91 HydrophobicContact CG2-CB 4.49Å; I66-Q91 HydrophobicContact CG2-CG 4.37Å; I67-Q91 PolarHBondContact N-O 3.21Å; Q91-E93 HydrophobicContact CG-CG 3.86Å; Q91-E93 PolarHBondContact NE2-OE1 3.21Å; Q91-S117 CarbonylContact C-O 3.59Å; Q91-S117 WeakPolarHBondContact CA-O 3.39Å
92	I	98.3	Very high	96.5	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.5	173.9	-52.2	-179.7	0	0	0	107.5	I67 L74 L90 I97 S117 L118 S119 V121	I67-I92 HydrophobicContact CB-CG1 4.39Å; I67-I92 CarbonylContact O-C 3.58Å; I67-I92 WeakPolarHBondContact O-CA 3.35Å; L74-I92 HydrophobicContact CD1-CD1 4.36Å; L90-I92 HydrophobicContact CD1-CG1 4.19Å; L90-I92 HydrophobicContact CD2-CD1 4.37Å; L90-I92 HydrophobicContact CG-CG1 4.18Å; I92-I97 HydrophobicContact CD1-CD1 3.94Å; I92-I97 HydrophobicContact CG2-CD1 4.39Å; I92-S117 PolarHBondContact N-O 3.31Å; I92-L118 HydrophobicContact CB-CD2 3.81Å; I92-L118 HydrophobicContact CD1-CD2 3.93Å; I92-L118 HydrophobicContact CG1-CD2 4.03Å; I92-L118 WeakPolarHBondContact O-CA 3.4Å; I92-S119 PolarHBondContact O-N 2.98Å; I92-V121 HydrophobicContact CB-CG2 4.21Å; I92-V121 HydrophobicContact CG2-CG2 3.92Å; I92-V121 WeakPolarHBondContact O-CG2 3.4Å
93	E	98.2	Very high	96.8	Very high	23 Å²	23	48 Å²	48	11%	0.107	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143.4	-177.6	-54.8	170.4	-156.4	0	0	111.2	I66 I67 R68 S69 Q91 S95 S119	I66-E93 WeakPolarHBondContact CG2-OE1 3.41Å; I67-E93 PolarHBondContact O-N 3.5Å; R68-E93 WeakPolarHBondContact CA-O 3.46Å; R68-E93 HydrophobicContact CG-CB 4.25Å; R68-E93 IonicContact CZ-OE1 3.81Å; R68-E93 IonicContact CZ-OE2 3.94Å; R68-E93 IonicContact NE-OE1 3.17Å; R68-E93 PolarHBondContact NE-OE1 2.85Å; R68-E93 IonicContact NE-OE2 3.86Å; R68-E93 PolarHBondContact NE-OE2 3.43Å; R68-E93 IonicContact NH2-OE1 3.16Å; R68-E93 PolarHBondContact NH2-OE1 3.3Å; R68-E93 VanDerWaalsContact NH2-OE1 3.09Å; R68-E93 IonicContact NH2-OE2 2.67Å; S69-E93 PolarHBondContact N-O 3.19Å; Q91-E93 HydrophobicContact CG-CG 3.86Å; Q91-E93 PolarHBondContact NE2-OE1 3.21Å; E93-S95 PolarHBondContact O-N 3.5Å; E93-S95 VanDerWaalsContact O-N 3.11Å; E93-S95 PolarHBondContact O-OG 3.03Å; E93-S119 CarbonylContact C-O 3.51Å; E93-S119 VanDerWaalsContact CA-O 3.25Å; E93-S119 WeakPolarHBondContact CA-O 3.33Å
94	K	97.6	Very high	97.1	Very high	134 Å²	134	40.7 Å²	40.7	58%	0.583	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	51.4	42	166.1	-57	179.7	-179.9	176.7	0	113	S69 S119 N120	S69-K94 VanDerWaalsContact CA-O 3.24Å; S69-K94 WeakPolarHBondContact CA-O 3.41Å; S69-K94 PolarHBondContact N-O 2.96Å; K94-S119 PolarHBondContact N-O 2.81Å; K94-N120 WeakPolarHBondContact CA-O 3.34Å; K94-N120 PolarHBondContact N-O 3.43Å; K94-N120 VanDerWaalsContact N-O 3.13Å
95	S	98	Very high	97.3	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	157.7	-169.3	-64.6	0	0	0	0	110.3	S69 V70 E93 N120 V121 D122	S69-S95 PolarHBondContact N-OG 3.31Å; V70-S95 WeakPolarHBondContact CG2-OG 3.26Å; V70-S95 PolarHBondContact N-OG 2.93Å; V70-S95 VanDerWaalsContact N-OG 3.09Å; V70-S95 CarbonylContact O-C 3.59Å; V70-S95 WeakPolarHBondContact O-CA 3.38Å; V70-S95 WeakPolarHBondContact O-CB 3.47Å; E93-S95 PolarHBondContact O-N 3.5Å; E93-S95 VanDerWaalsContact O-N 3.11Å; E93-S95 PolarHBondContact O-OG 3.03Å; S95-N120 PolarHBondContact N-O 3.16Å; S95-V121 CarbonylContact O-C 3.59Å; S95-V121 WeakPolarHBondContact O-CA 2.99Å; S95-D122 PolarHBondContact O-N 2.91Å; S95-D122 VanDerWaalsContact O-OD1 3.05Å
96	T	97.6	Very high	97.4	Very high	20 Å²	20	41.9 Å²	41.9	12%	0.123	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.4	173.1	-48.6	0	0	0	0	109.7	V70 K71 T72 Y98 D122	V70-T96 PolarHBondContact O-N 3Å; K71-T96 CarbonylContact C-O 3.57Å; K71-T96 VanDerWaalsContact CA-O 3.31Å; K71-T96 WeakPolarHBondContact CA-O 3.5Å; T72-T96 PolarHBondContact N-O 2.7Å; T96-Y98 HydrophobicContact CG2-CD1 4.33Å; T96-Y98 HydrophobicContact CG2-CE1 3.88Å; T96-D122 WeakPolarHBondContact CA-O 3.39Å; T96-D122 WeakPolarHBondContact CA-OD1 3.21Å; T96-D122 WeakPolarHBondContact CB-OD1 3.21Å; T96-D122 WeakPolarHBondContact CG2-OD1 3.2Å; T96-D122 PolarHBondContact N-OD1 3.19Å; T96-D122 PolarHBondContact OG1-OD1 3.14Å
97	I	97.2	Very high	97.3	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.1	175.2	-58.4	178.2	0	0	0	108.7	T72 L74 I92 I100 V121 D122 G123 Y125	T72-I97 WeakPolarHBondContact O-CA 3.06Å; L74-I97 HydrophobicContact CD1-CD1 3.92Å; L74-I97 HydrophobicContact CD1-CG2 4.23Å; L74-I97 HydrophobicContact CG-CD1 4.47Å; L74-I97 HydrophobicContact CG-CG2 4.02Å; I92-I97 HydrophobicContact CD1-CD1 3.94Å; I92-I97 HydrophobicContact CG2-CD1 4.39Å; I97-I100 HydrophobicContact CG2-CD1 4.44Å; I97-I100 HydrophobicContact CG2-CG1 3.84Å; I97-V121 HydrophobicContact CB-CG1 4.25Å; I97-V121 HydrophobicContact CD1-CG1 3.57Å; I97-V121 HydrophobicContact CG1-CG1 3.66Å; I97-D122 PolarHBondContact N-O 3.31Å; I97-G123 WeakPolarHBondContact O-CA 3.18Å; I97-Y125 HydrophobicContact CB-CD1 3.76Å; I97-Y125 HydrophobicContact CB-CE1 4.43Å; I97-Y125 HydrophobicContact CB-CG 4.04Å; I97-Y125 HydrophobicContact CG2-CD1 4.3Å; I97-Y125 HydrophobicContact CG2-CG 4.08Å
98	Y	96.4	Very high	97.3	Very high	112 Å²	112	40.9 Å²	40.9	44%	0.439	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-35	-179.4	-60.8	-65.4	0	0	0	113	K71 T72 K73 T96 P124	K71-Y98 HydrophobicContact CB-CE2 4.32Å; T72-Y98 WeakPolarHBondContact O-CD2 3.47Å; T72-Y98 PolarHBondContact O-N 3.15Å; K73-Y98 HydrophobicContact CG-CD2 4.36Å; T96-Y98 HydrophobicContact CG2-CD1 4.33Å; T96-Y98 HydrophobicContact CG2-CE1 3.88Å; Y98-P124 WeakPolarHBondContact O-CG 3.35Å
99	S	96.7	Very high	97.1	Very high	46 Å²	46	38.3 Å²	38.3	32%	0.322	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	154.8	-180	60.5	0	0	0	0	110.2	K73 L74	K73-S99 WeakPolarHBondContact CG-OG 3.35Å; L74-S99 PolarHBondContact N-O 2.85Å
100	I	97.1	Very high	96.9	Very high	24 Å²	24	39.6 Å²	39.6	12%	0.123	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	120.8	173.2	-54.9	173.2	0	0	0	107.7	L74 I97 F104 F105 Y125 L127	L74-I100 HydrophobicContact CB-CG1 4.35Å; L74-I100 HydrophobicContact CB-CG2 4.31Å; L74-I100 HydrophobicContact CD1-CD1 4.3Å; L74-I100 HydrophobicContact CD1-CG1 3.92Å; L74-I100 HydrophobicContact CD1-CG2 4.44Å; L74-I100 HydrophobicContact CG-CG1 4.38Å; I97-I100 HydrophobicContact CG2-CD1 4.44Å; I97-I100 HydrophobicContact CG2-CG1 3.84Å; I100-F104 HydrophobicContact CG2-CB 3.77Å; I100-F104 HydrophobicContact CG2-CD1 4.35Å; I100-F104 HydrophobicContact CG2-CG 4.29Å; I100-F105 HydrophobicContact CD1-CE2 4.01Å; I100-F105 HydrophobicContact CD1-CZ 3.94Å; I100-F105 HydrophobicContact CG2-CE2 4.05Å; I100-F105 HydrophobicContact CG2-CZ 4.42Å; I100-Y125 HydrophobicContact CD1-CD2 3.58Å; I100-Y125 HydrophobicContact CD1-CE2 4.43Å; I100-Y125 HydrophobicContact CD1-CG 4.15Å; I100-Y125 HydrophobicContact CG1-CD2 4.45Å; I100-L127 HydrophobicContact CD1-CD2 3.97Å
101	E	96.9	Very high	96.8	Very high	63 Å²	63	42.9 Å²	42.9	29%	0.294	21%	0.206	S	C	.	.			trans	-69.8	152.6	175.1	-75.1	-172.7	168.7	0	0	111.6	L74 D75 I76 K103 F104	L74-E101 PolarHBondContact O-N 2.99Å; D75-E101 WeakPolarHBondContact CA-OE2 3.32Å; I76-E101 WeakPolarHBondContact CG1-OE2 3.39Å; I76-E101 HydrophobicContact CG2-CB 4.05Å; I76-E101 PolarHBondContact N-OE2 2.96Å; E101-K103 PolarHBondContact O-N 3.1Å; E101-F104 VanDerWaalsContact O-CB 3.22Å; E101-F104 WeakPolarHBondContact O-CB 3.35Å; E101-F104 PolarHBondContact O-N 2.84Å; E101-F104 VanDerWaalsContact O-N 3.13Å
102	P	96.6	Very high	96.6	Very high	67 Å²	67	40.6 Å²	40.6	44%	0.435	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	137.8	176.7	-27.9	35.8	0	0	0	112.5	F104 Q130	P102-F104 PolarHBondContact O-N 2.84Å; P102-F104 VanDerWaalsContact O-N 3.1Å; P102-Q130 CarbonylContact C-O 3.58Å; P102-Q130 WeakPolarHBondContact CA-O 3.47Å; P102-Q130 HydrophobicContact CB-CB 4.07Å; P102-Q130 HydrophobicContact CG-CB 4.16Å
103	K	95.8	Very high	96.6	Very high	111 Å²	111	40.6 Å²	40.6	48%	0.483	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	12.7	-179.4	-59.7	175.3	177.8	178.8	0	114.9	E101 F105 N106 I107 Q130 A133	E101-K103 PolarHBondContact O-N 3.1Å; K103-F105 PolarHBondContact O-N 3.02Å; K103-N106 PolarHBondContact O-N 3.18Å; K103-N106 VanDerWaalsContact O-N 3.09Å; K103-I107 HydrophobicContact CB-CD1 4.01Å; K103-I107 HydrophobicContact CB-CG1 4.32Å; K103-I107 PolarHBondContact O-N 3.39Å; K103-Q130 PolarHBondContact N-O 3.25Å; K103-A133 HydrophobicContact CG-CB 3.53Å
104	F	97.5	Very high	96.6	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-49.6	-54	-176.7	172.1	-93.7	0	0	0	112.1	F50 L74 D75 I76 F79 I100 E101 P102 N106 I107 F108	F50-F104 HydrophobicContact CE1-CZ 4.26Å; F50-F104 HydrophobicContact CZ-CE1 4.44Å; F50-F104 AromaticContact CZ-CZ 3.74Å; F50-F104 HydrophobicContact CZ-CZ 3.74Å; L74-F104 HydrophobicContact CB-CD1 3.79Å; L74-F104 HydrophobicContact CB-CD2 3.81Å; L74-F104 HydrophobicContact CB-CE1 3.78Å; L74-F104 HydrophobicContact CB-CE2 3.79Å; L74-F104 HydrophobicContact CB-CG 3.82Å; L74-F104 HydrophobicContact CB-CZ 3.78Å; L74-F104 HydrophobicContact CD1-CD1 3.87Å; L74-F104 HydrophobicContact CD1-CE1 3.64Å; L74-F104 HydrophobicContact CD1-CZ 4.3Å; L74-F104 HydrophobicContact CD2-CE1 4.06Å; L74-F104 HydrophobicContact CD2-CZ 3.9Å; L74-F104 HydrophobicContact CG-CD1 4.36Å; L74-F104 HydrophobicContact CG-CE1 4.02Å; L74-F104 HydrophobicContact CG-CZ 4.19Å; D75-F104 VanDerWaalsContact O-CE2 3.3Å; D75-F104 WeakPolarHBondContact O-CE2 3.32Å; I76-F104 HydrophobicContact CG2-CB 4.22Å; I76-F104 HydrophobicContact CG2-CD2 4.21Å; F79-F104 HydrophobicContact CD2-CE2 4.32Å; I100-F104 HydrophobicContact CG2-CB 3.77Å; I100-F104 HydrophobicContact CG2-CD1 4.35Å; I100-F104 HydrophobicContact CG2-CG 4.29Å; E101-F104 VanDerWaalsContact O-CB 3.22Å; E101-F104 WeakPolarHBondContact O-CB 3.35Å; E101-F104 PolarHBondContact O-N 2.84Å; E101-F104 VanDerWaalsContact O-N 3.13Å; P102-F104 PolarHBondContact O-N 2.84Å; P102-F104 VanDerWaalsContact O-N 3.1Å; F104-N106 VanDerWaalsContact C-N 3.3Å; F104-N106 PolarHBondContact O-N 2.77Å; F104-I107 PolarHBondContact O-N 3.22Å; F104-F108 HydrophobicContact CD1-CB 4.4Å; F104-F108 HydrophobicContact CE1-CB 4.03Å; F104-F108 HydrophobicContact CE1-CG 4.12Å; F104-F108 HydrophobicContact CE2-CB 4.27Å; F104-F108 HydrophobicContact CE2-CD2 4.43Å; F104-F108 HydrophobicContact CZ-CB 3.96Å; F104-F108 AromaticContact CZ-CD2 3.92Å; F104-F108 HydrophobicContact CZ-CD2 3.92Å; F104-F108 AromaticContact CZ-CG 3.9Å; F104-F108 HydrophobicContact CZ-CG 3.9Å; F104-F108 WeakPolarHBondContact O-CA 3.47Å; F104-F108 WeakPolarHBondContact O-CB 3.37Å; F104-F108 PolarHBondContact O-N 2.85Å
105	F	97.3	Very high	96.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-34.9	-177.1	-64.9	-61.5	0	0	0	113.3	L74 L90 I100 K103 S109 L113 L116 L127 S131 L135	L74-F105 HydrophobicContact CD1-CE1 4.13Å; L74-F105 HydrophobicContact CD1-CZ 4.13Å; L90-F105 HydrophobicContact CD2-CD1 3.7Å; L90-F105 HydrophobicContact CD2-CE1 3.77Å; I100-F105 HydrophobicContact CD1-CE2 4.01Å; I100-F105 HydrophobicContact CD1-CZ 3.94Å; I100-F105 HydrophobicContact CG2-CE2 4.05Å; I100-F105 HydrophobicContact CG2-CZ 4.42Å; K103-F105 PolarHBondContact O-N 3.02Å; F105-S109 WeakPolarHBondContact O-CB 3.26Å; F105-S109 PolarHBondContact O-N 3.12Å; F105-S109 PolarHBondContact O-OG 3.43Å; F105-L113 HydrophobicContact CB-CD2 3.93Å; F105-L113 HydrophobicContact CD1-CD2 4.46Å; F105-L113 HydrophobicContact CG-CD2 4.44Å; F105-L116 HydrophobicContact CD1-CD1 4.16Å; F105-L116 HydrophobicContact CD1-CD2 4.45Å; F105-L116 HydrophobicContact CD2-CD2 4.18Å; F105-L116 HydrophobicContact CE1-CD1 3.85Å; F105-L116 HydrophobicContact CE1-CD2 4.3Å; F105-L116 HydrophobicContact CE2-CD2 4.02Å; F105-L116 HydrophobicContact CG-CD2 4.39Å; F105-L116 HydrophobicContact CZ-CD1 4.28Å; F105-L116 HydrophobicContact CZ-CD2 4.09Å; F105-L127 HydrophobicContact CE2-CD2 3.81Å; F105-L127 HydrophobicContact CZ-CD2 4.32Å; F105-S131 WeakPolarHBondContact CD2-O 3.35Å; F105-L135 HydrophobicContact CB-CD1 3.85Å; F105-L135 HydrophobicContact CB-CD2 4.31Å; F105-L135 HydrophobicContact CB-CG 4.46Å
106	N	96.1	Very high	96.7	Very high	31 Å²	31	39.4 Å²	39.4	17%	0.166	19%	0.189	C	C	.	.	H	α-helix	trans	-69.2	-46.7	176.4	177.6	55	0	0	0	111.4	K103 F104 S109 R110 N111 A133 G134 L135	K103-N106 PolarHBondContact O-N 3.18Å; K103-N106 VanDerWaalsContact O-N 3.09Å; F104-N106 VanDerWaalsContact C-N 3.3Å; F104-N106 PolarHBondContact O-N 2.77Å; N106-S109 PolarHBondContact O-OG 2.83Å; N106-R110 PolarHBondContact O-N 2.91Å; N106-N111 PolarHBondContact O-N 3.36Å; N106-N111 WeakPolarHBondContact OD1-CA 3.08Å; N106-N111 WeakPolarHBondContact OD1-CB 3.49Å; N106-N111 PolarHBondContact OD1-OD1 2.93Å; N106-A133 WeakPolarHBondContact CB-O 3.35Å; N106-G134 PolarHBondContact OD1-O 2.8Å; N106-L135 HydrophobicContact CB-CD2 4.09Å
107	I	95.5	Very high	96.8	Very high	44 Å²	44	39.1 Å²	39.1	23%	0.226	19%	0.188	C	C	.	.	H	α-helix	trans	-66.3	-51.1	178.2	-67.5	166.8	0	0	0	110	I76 K103 F104 S109 R110	I76-I107 HydrophobicContact CB-CD1 4.15Å; I76-I107 HydrophobicContact CD1-CD1 4.09Å; I76-I107 HydrophobicContact CG2-CD1 3.93Å; K103-I107 HydrophobicContact CB-CD1 4.01Å; K103-I107 HydrophobicContact CB-CG1 4.32Å; K103-I107 PolarHBondContact O-N 3.39Å; F104-I107 PolarHBondContact O-N 3.22Å; I107-S109 VanDerWaalsContact C-N 3.26Å; I107-S109 PolarHBondContact O-N 2.66Å; I107-R110 PolarHBondContact O-N 2.88Å
108	F	96	Very high	96.8	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-57.5	-36.7	179.5	178.5	-98.3	0	0	0	112.3	F50 P51 L56 L65 F79 Y82 I87 L90 F104	F50-F108 HydrophobicContact CE1-CD2 4.28Å; F50-F108 AromaticContact CE1-CE2 3.68Å; F50-F108 HydrophobicContact CE1-CE2 3.68Å; F50-F108 HydrophobicContact CE1-CZ 4.22Å; F50-F108 HydrophobicContact CZ-CD2 4.42Å; F50-F108 AromaticContact CZ-CE2 3.93Å; F50-F108 HydrophobicContact CZ-CE2 3.93Å; F50-F108 HydrophobicContact CZ-CZ 4.14Å; P51-F108 HydrophobicContact CG-CZ 4.27Å; L56-F108 HydrophobicContact CD1-CE2 3.78Å; L56-F108 HydrophobicContact CD1-CZ 4.03Å; L65-F108 HydrophobicContact CD2-CE1 3.65Å; L65-F108 HydrophobicContact CD2-CZ 3.39Å; F79-F108 HydrophobicContact CB-CD2 4.48Å; F79-F108 AromaticContact CD1-CD2 3.8Å; F79-F108 HydrophobicContact CD1-CD2 3.8Å; F79-F108 AromaticContact CD1-CE2 3.95Å; F79-F108 HydrophobicContact CD1-CE2 3.95Å; F79-F108 HydrophobicContact CD2-CD2 4.02Å; F79-F108 AromaticContact CE1-CD2 4Å; F79-F108 HydrophobicContact CE1-CD2 4Å; F79-F108 AromaticContact CE1-CE2 3.72Å; F79-F108 HydrophobicContact CE1-CE2 3.72Å; F79-F108 HydrophobicContact CE2-CD2 4.2Å; F79-F108 HydrophobicContact CE2-CE2 4.39Å; F79-F108 AromaticContact CG-CD2 3.83Å; F79-F108 HydrophobicContact CG-CD2 3.83Å; F79-F108 HydrophobicContact CG-CE2 4.4Å; F79-F108 HydrophobicContact CZ-CD2 4.19Å; F79-F108 AromaticContact CZ-CE2 3.97Å; F79-F108 HydrophobicContact CZ-CE2 3.97Å; Y82-F108 WeakPolarHBondContact CE1-O 3.49Å; Y82-F108 VanDerWaalsContact CZ-O 3.31Å; Y82-F108 PolarHBondContact OH-O 2.83Å; I87-F108 HydrophobicContact CB-CE1 4.37Å; I87-F108 HydrophobicContact CG1-CE1 3.93Å; I87-F108 HydrophobicContact CG1-CZ 4.38Å; I87-F108 HydrophobicContact CG2-CE1 4.32Å; L90-F108 HydrophobicContact CD1-CE1 4.32Å; L90-F108 HydrophobicContact CD2-CD1 4.35Å; L90-F108 HydrophobicContact CD2-CE1 4.33Å; F104-F108 HydrophobicContact CD1-CB 4.4Å; F104-F108 HydrophobicContact CE1-CB 4.03Å; F104-F108 HydrophobicContact CE1-CG 4.12Å; F104-F108 HydrophobicContact CE2-CB 4.27Å; F104-F108 HydrophobicContact CE2-CD2 4.43Å; F104-F108 HydrophobicContact CZ-CB 3.96Å; F104-F108 AromaticContact CZ-CD2 3.92Å; F104-F108 HydrophobicContact CZ-CD2 3.92Å; F104-F108 AromaticContact CZ-CG 3.9Å; F104-F108 HydrophobicContact CZ-CG 3.9Å; F104-F108 WeakPolarHBondContact O-CA 3.47Å; F104-F108 WeakPolarHBondContact O-CB 3.37Å; F104-F108 PolarHBondContact O-N 2.85Å
109	S	95.6	Very high	96.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-0.7	177.9	66.6	0	0	0	0	114.6	I87 F105 N106 I107 N111 S112 L113	I87-S109 VanDerWaalsContact O-CB 3.29Å; I87-S109 WeakPolarHBondContact O-CB 3.4Å; F105-S109 WeakPolarHBondContact O-CB 3.26Å; F105-S109 PolarHBondContact O-N 3.12Å; F105-S109 PolarHBondContact O-OG 3.43Å; N106-S109 PolarHBondContact O-OG 2.83Å; I107-S109 VanDerWaalsContact C-N 3.26Å; I107-S109 PolarHBondContact O-N 2.66Å; S109-N111 VanDerWaalsContact C-N 3.26Å; S109-N111 PolarHBondContact O-N 2.9Å; S109-S112 WeakPolarHBondContact O-CB 3.37Å; S109-S112 PolarHBondContact O-N 3.3Å; S109-S112 PolarHBondContact O-OG 3.1Å; S109-S112 PolarHBondContact OG-N 3.09Å; S109-L113 WeakPolarHBondContact OG-CB 3.27Å; S109-L113 PolarHBondContact OG-N 2.88Å
110	R	94.4	Very high	97	Very high	92 Å²	92	36.8 Å²	36.8	35%	0.347	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	45.4	-169.3	-56.9	177.8	63.1	-151.4	4.1	111.9	Y82 Q83 G84 N106 I107 S112	Y82-R110 HydrophobicContact CE1-CG 3.97Å; Y82-R110 HydrophobicContact CE2-CG 4.26Å; Q83-R110 VanDerWaalsContact C-NH1 3.34Å; Q83-R110 VanDerWaalsContact O-CZ 3.25Å; Q83-R110 PolarHBondContact O-NH1 3.16Å; G84-R110 PolarHBondContact O-NH1 3.33Å; N106-R110 PolarHBondContact O-N 2.91Å; I107-R110 PolarHBondContact O-N 2.88Å; R110-S112 VanDerWaalsContact C-N 3.34Å; R110-S112 PolarHBondContact O-N 2.84Å
111	N	94.6	Very high	97	Very high	71 Å²	71	35.8 Å²	35.8	38%	0.38	18%	0.177	S	C	.	.	S	Bend	trans	52.1	50.2	-176	-175.5	16.5	0	0	0	111	N106 S109 K138	N106-N111 PolarHBondContact O-N 3.36Å; N106-N111 WeakPolarHBondContact OD1-CA 3.08Å; N106-N111 WeakPolarHBondContact OD1-CB 3.49Å; N106-N111 PolarHBondContact OD1-OD1 2.93Å; S109-N111 VanDerWaalsContact C-N 3.26Å; S109-N111 PolarHBondContact O-N 2.9Å; N111-K138 WeakPolarHBondContact O-CD 3.44Å; N111-K138 VanDerWaalsContact O-CE 3.28Å; N111-K138 WeakPolarHBondContact O-CE 3.27Å; N111-K138 PolarHBondContact O-NZ 2.74Å; N111-K138 VanDerWaalsContact OD1-CD 3.3Å; N111-K138 WeakPolarHBondContact OD1-CD 3.37Å; N111-K138 WeakPolarHBondContact OD1-CE 3.43Å
112	S	95.9	Very high	96.9	Very high	10 Å²	10	36.8 Å²	36.8	7%	0.07	18%	0.184	C	C	.	.			trans	-131.5	0	179.2	73.8	0	0	0	0	114.3	I87 K88 S109 R110 E114	I87-S112 PolarHBondContact N-OG 3.3Å; I87-S112 CarbonylContact O-C 3.59Å; I87-S112 PolarHBondContact O-OG 3.03Å; K88-S112 WeakPolarHBondContact CA-O 3.45Å; S109-S112 WeakPolarHBondContact O-CB 3.37Å; S109-S112 PolarHBondContact O-N 3.3Å; S109-S112 PolarHBondContact O-OG 3.1Å; S109-S112 PolarHBondContact OG-N 3.09Å; R110-S112 VanDerWaalsContact C-N 3.34Å; R110-S112 PolarHBondContact O-N 2.84Å; S112-E114 PolarHBondContact O-N 3.25Å
113	L	98.3	Very high	96.8	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.178	C	C	.	.			trans	-67.7	115.1	-176	-161.9	66.9	0	0	0	111.6	I87 L90 F105 S109 R115 L116 L135 K138 L139	I87-L113 HydrophobicContact CG2-CD1 4.42Å; I87-L113 PolarHBondContact O-N 2.9Å; L90-L113 HydrophobicContact CB-CD1 3.64Å; F105-L113 HydrophobicContact CB-CD2 3.93Å; F105-L113 HydrophobicContact CD1-CD2 4.46Å; F105-L113 HydrophobicContact CG-CD2 4.44Å; S109-L113 WeakPolarHBondContact OG-CB 3.27Å; S109-L113 PolarHBondContact OG-N 2.88Å; L113-R115 WeakPolarHBondContact CD1-O 3.42Å; L113-L116 HydrophobicContact CD2-CB 4.21Å; L113-L116 HydrophobicContact CD2-CD1 4.48Å; L113-L135 HydrophobicContact CB-CD2 4.07Å; L113-L135 HydrophobicContact CD2-CD1 4.31Å; L113-L135 HydrophobicContact CD2-CD2 4.3Å; L113-K138 CarbonylContact O-C 3.51Å; L113-L139 HydrophobicContact CD2-CD1 4.2Å; L113-L139 HydrophobicContact CG-CD1 4.04Å
114	E	98.6	Very high	96.7	Very high	48 Å²	48	34.6 Å²	34.6	22%	0.224	19%	0.186	C	C	.	.			trans	-101.3	-30.1	176.7	-73.7	172.2	-165.1	0	0	111.8	K88 R89 S112 N140 T141	K88-E114 WeakPolarHBondContact CE-OE1 3.45Å; K88-E114 IonicContact NZ-OE1 3.94Å; K88-E114 PolarHBondContact NZ-OE1 3.19Å; K88-E114 IonicContact NZ-OE2 2.65Å; K88-E114 PolarHBondContact O-N 3.3Å; R89-E114 IonicContact NH1-OE2 2.69Å; S112-E114 PolarHBondContact O-N 3.25Å; E114-N140 PolarHBondContact O-N 2.97Å; E114-N140 PolarHBondContact O-ND2 2.96Å; E114-N140 PolarHBondContact O-OD1 2.93Å; E114-T141 PolarHBondContact O-N 2.84Å
115	R	98.8	Very high	96.5	Very high	83 Å²	83	35.1 Å²	35.1	31%	0.313	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	131.6	179.4	-52.1	-165.8	-176.5	140.9	6.4	111.8	K88 R89 L90 L113 T141	K88-R115 PolarHBondContact O-N 3.34Å; K88-R115 VanDerWaalsContact O-N 3.16Å; R89-R115 WeakPolarHBondContact CA-O 3.01Å; R89-R115 HydrophobicContact CB-CB 4.41Å; R89-R115 HydrophobicContact CG-CB 4.14Å; R89-R115 HydrophobicContact CG-CG 4.29Å; R89-R115 VanDerWaalsContact NH2-CZ 3.34Å; L90-R115 PolarHBondContact N-O 3.36Å; L113-R115 WeakPolarHBondContact CD1-O 3.42Å; R115-T141 WeakPolarHBondContact CA-O 3.35Å
116	L	98.7	Very high	96.3	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.1	173.4	178.3	59.3	0	0	0	109	L90 F105 L113 L118 L132 L139 T141 L142 R143	L90-L116 HydrophobicContact CB-CD1 4.19Å; L90-L116 HydrophobicContact CD2-CD1 4.03Å; L90-L116 HydrophobicContact CG-CD1 4.16Å; L90-L116 CarbonylContact O-C 3.5Å; L90-L116 WeakPolarHBondContact O-CA 3.29Å; F105-L116 HydrophobicContact CD1-CD1 4.16Å; F105-L116 HydrophobicContact CD1-CD2 4.45Å; F105-L116 HydrophobicContact CD2-CD2 4.18Å; F105-L116 HydrophobicContact CE1-CD1 3.85Å; F105-L116 HydrophobicContact CE1-CD2 4.3Å; F105-L116 HydrophobicContact CE2-CD2 4.02Å; F105-L116 HydrophobicContact CG-CD2 4.39Å; F105-L116 HydrophobicContact CZ-CD1 4.28Å; F105-L116 HydrophobicContact CZ-CD2 4.09Å; L113-L116 HydrophobicContact CD2-CB 4.21Å; L113-L116 HydrophobicContact CD2-CD1 4.48Å; L116-L118 HydrophobicContact CD1-CD2 4.19Å; L116-L132 HydrophobicContact CD2-CD2 4.39Å; L116-L139 HydrophobicContact CB-CD1 3.93Å; L116-T141 PolarHBondContact N-O 2.89Å; L116-L142 HydrophobicContact CB-CD1 4.11Å; L116-L142 HydrophobicContact CD2-CD1 4.06Å; L116-L142 HydrophobicContact CG-CD1 4.13Å; L116-R143 PolarHBondContact O-N 2.97Å
117	S	98.7	Very high	96.2	Very high	14 Å²	14	42.4 Å²	42.4	10%	0.098	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	122.5	176.9	-173.7	0	0	0	0	110.8	L90 Q91 I92 R143	L90-S117 PolarHBondContact O-N 3.11Å; Q91-S117 CarbonylContact C-O 3.59Å; Q91-S117 WeakPolarHBondContact CA-O 3.39Å; I92-S117 PolarHBondContact N-O 3.31Å; S117-R143 CarbonylContact C-O 3.58Å; S117-R143 VanDerWaalsContact CA-O 3.25Å; S117-R143 WeakPolarHBondContact CA-O 3.44Å
118	L	98.2	Very high	96.2	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115.3	171.2	-55.3	-174.7	0	0	0	108.6	I92 L116 V121 Y125 L127 R143 I144 N145	I92-L118 HydrophobicContact CB-CD2 3.81Å; I92-L118 HydrophobicContact CD1-CD2 3.93Å; I92-L118 HydrophobicContact CG1-CD2 4.03Å; I92-L118 WeakPolarHBondContact O-CA 3.4Å; L116-L118 HydrophobicContact CD1-CD2 4.19Å; L118-V121 HydrophobicContact CB-CB 4.36Å; L118-V121 HydrophobicContact CB-CG2 4Å; L118-V121 HydrophobicContact CD2-CG2 4.47Å; L118-Y125 HydrophobicContact CD1-CE2 3.63Å; L118-L127 HydrophobicContact CD1-CD1 3.77Å; L118-L127 HydrophobicContact CD1-CD2 4.26Å; L118-L127 HydrophobicContact CD1-CG 4.31Å; L118-R143 PolarHBondContact N-O 2.73Å; L118-I144 CarbonylContact O-C 3.59Å; L118-I144 WeakPolarHBondContact O-CA 3.25Å; L118-N145 PolarHBondContact O-N 3.09Å
119	S	98.1	Very high	96.2	Very high	29 Å²	29	44.4 Å²	44.4	20%	0.203	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	114.3	-176.1	169.6	0	0	0	0	110.5	I92 E93 K94 V121 N145	I92-S119 PolarHBondContact O-N 2.98Å; E93-S119 CarbonylContact C-O 3.51Å; E93-S119 VanDerWaalsContact CA-O 3.25Å; E93-S119 WeakPolarHBondContact CA-O 3.33Å; K94-S119 PolarHBondContact N-O 2.81Å; S119-V121 VanDerWaalsContact C-N 3.34Å; S119-N145 WeakPolarHBondContact CB-ND2 3.43Å; S119-N145 WeakPolarHBondContact CB-OD1 3.31Å; S119-N145 PolarHBondContact OG-ND2 3.37Å
120	N	97.6	Very high	96.3	Very high	81 Å²	81	50.4 Å²	50.4	43%	0.433	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.7	52.9	-175.8	-171.6	40.2	0	0	0	110.6	K94 S95 N145 D146	K94-N120 WeakPolarHBondContact CA-O 3.34Å; K94-N120 PolarHBondContact N-O 3.43Å; K94-N120 VanDerWaalsContact N-O 3.13Å; S95-N120 PolarHBondContact N-O 3.16Å; N120-N145 PolarHBondContact N-O 3.18Å; N120-D146 HydrophobicContact CB-CB 4.05Å
121	V	97.5	Very high	96.4	Very high	2 Å²	2	46 Å²	46	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.2	177.8	-179.9	0	0	0	0	107.9	I92 S95 I97 L118 S119 Y125 H147	I92-V121 HydrophobicContact CB-CG2 4.21Å; I92-V121 HydrophobicContact CG2-CG2 3.92Å; I92-V121 WeakPolarHBondContact O-CG2 3.4Å; S95-V121 CarbonylContact O-C 3.59Å; S95-V121 WeakPolarHBondContact O-CA 2.99Å; I97-V121 HydrophobicContact CB-CG1 4.25Å; I97-V121 HydrophobicContact CD1-CG1 3.57Å; I97-V121 HydrophobicContact CG1-CG1 3.66Å; L118-V121 HydrophobicContact CB-CB 4.36Å; L118-V121 HydrophobicContact CB-CG2 4Å; L118-V121 HydrophobicContact CD2-CG2 4.47Å; S119-V121 VanDerWaalsContact C-N 3.34Å; V121-Y125 HydrophobicContact CB-CE1 4.29Å; V121-Y125 HydrophobicContact CG1-CD1 4.4Å; V121-Y125 HydrophobicContact CG1-CE1 3.6Å; V121-Y125 PolarHBondContact O-OH 3.45Å; V121-H147 PolarHBondContact O-ND1 2.91Å
122	D	94.8	Very high	96.5	Very high	85 Å²	85	42.7 Å²	42.7	46%	0.455	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	174.9	-179.7	66.5	-6.8	0	0	0	112	S95 T96 I97	S95-D122 PolarHBondContact O-N 2.91Å; S95-D122 VanDerWaalsContact O-OD1 3.05Å; T96-D122 WeakPolarHBondContact CA-O 3.39Å; T96-D122 WeakPolarHBondContact CA-OD1 3.21Å; T96-D122 WeakPolarHBondContact CB-OD1 3.21Å; T96-D122 WeakPolarHBondContact CG2-OD1 3.2Å; T96-D122 PolarHBondContact N-OD1 3.19Å; T96-D122 PolarHBondContact OG1-OD1 3.14Å; I97-D122 PolarHBondContact N-O 3.31Å
123	G	94	Very high	96.6	Very high	30 Å²	30	43.2 Å²	43.2	31%	0.309	23%	0.231	S	C	.	.	S	Bend	trans	107.9	170.5	-179.1	0	0	0	0	0	113.8	I97 Y125	I97-G123 WeakPolarHBondContact O-CA 3.18Å; G123-Y125 PolarHBondContact O-N 3.07Å
124	P	94.3	Very high	96.5	Very high	101 Å²	101	45 Å²	45	66%	0.656	25%	0.249	S	C	*	.	S	Bend	trans	-85.4	18.8	-171.8	36.2	-37.9	0	0	0	113.7	Y98	Y98-P124 WeakPolarHBondContact O-CG 3.35Å
125	Y	94.2	Very high	96.4	Very high	12 Å²	12	42.7 Å²	42.7	5%	0.047	24%	0.238	C	C	.	.			trans	-65.8	155.7	-179.8	73.2	-84.4	0	0	0	111.5	I97 I100 L118 V121 G123 L127 H147	I97-Y125 HydrophobicContact CB-CD1 3.76Å; I97-Y125 HydrophobicContact CB-CE1 4.43Å; I97-Y125 HydrophobicContact CB-CG 4.04Å; I97-Y125 HydrophobicContact CG2-CD1 4.3Å; I97-Y125 HydrophobicContact CG2-CG 4.08Å; I100-Y125 HydrophobicContact CD1-CD2 3.58Å; I100-Y125 HydrophobicContact CD1-CE2 4.43Å; I100-Y125 HydrophobicContact CD1-CG 4.15Å; I100-Y125 HydrophobicContact CG1-CD2 4.45Å; L118-Y125 HydrophobicContact CD1-CE2 3.63Å; V121-Y125 HydrophobicContact CB-CE1 4.29Å; V121-Y125 HydrophobicContact CG1-CD1 4.4Å; V121-Y125 HydrophobicContact CG1-CE1 3.6Å; V121-Y125 PolarHBondContact O-OH 3.45Å; G123-Y125 PolarHBondContact O-N 3.07Å; Y125-L127 HydrophobicContact CD2-CG 4.45Å; Y125-L127 HydrophobicContact CE2-CG 4.14Å; Y125-H147 AromaticContact CE1-CE1 3.42Å; Y125-H147 VanDerWaalsContact CE1-CE1 3.42Å; Y125-H147 WeakPolarHBondContact CE1-CE1 3.45Å; Y125-H147 AromaticContact CE1-ND1 3.85Å; Y125-H147 AromaticContact CE1-NE2 3.82Å; Y125-H147 AromaticContact CZ-CD2 3.99Å; Y125-H147 AromaticContact CZ-CE1 3.66Å; Y125-H147 AromaticContact CZ-ND1 4Å; Y125-H147 AromaticContact CZ-NE2 3.62Å; Y125-H147 PolarHBondContact OH-CD2 3.42Å
126	R	92.4	Very high	96.3	Very high	168 Å²	168	40.5 Å²	40.5	63%	0.634	24%	0.235	S	C	*	.			trans	-123.8	137.5	176.1	-68.2	-177.7	168.7	153.3	-2.8	110.8	D128 S131	R126-D128 HydrophobicContact CB-CB 4.46Å; R126-D128 PolarHBondContact O-N 2.91Å; R126-S131 PolarHBondContact O-OG 2.88Å
127	L	94.7	Very high	96.1	Very high	17 Å²	17	45.5 Å²	45.5	9%	0.089	26%	0.259	C	S	.	.			trans	-95.8	73.1	167.3	-69.3	-179.5	0	0	0	109	I100 F105 L118 Y125 S131 L132 I144 F155	I100-L127 HydrophobicContact CD1-CD2 3.97Å; F105-L127 HydrophobicContact CE2-CD2 3.81Å; F105-L127 HydrophobicContact CZ-CD2 4.32Å; L118-L127 HydrophobicContact CD1-CD1 3.77Å; L118-L127 HydrophobicContact CD1-CD2 4.26Å; L118-L127 HydrophobicContact CD1-CG 4.31Å; Y125-L127 HydrophobicContact CD2-CG 4.45Å; Y125-L127 HydrophobicContact CE2-CG 4.14Å; L127-S131 WeakPolarHBondContact CA-OG 3.25Å; L127-L132 HydrophobicContact CB-CD1 4.46Å; L127-L132 HydrophobicContact CD2-CD2 4.35Å; L127-I144 HydrophobicContact CD1-CD1 3.42Å; L127-I144 VanDerWaalsContact CD1-CD1 3.42Å; L127-I144 HydrophobicContact CD1-CG1 4.15Å; L127-F155 HydrophobicContact CB-CE1 4.04Å
128	D	95.3	Very high	95.9	Very high	46 Å²	46	48.9 Å²	48.9	25%	0.246	27%	0.272	C	S	.	.			trans	-100.2	-179.5	-178.1	60.6	33.5	0	0	0	112	R126 Q130 S131 L132 D154	R126-D128 HydrophobicContact CB-CB 4.46Å; R126-D128 PolarHBondContact O-N 2.91Å; D128-Q130 PolarHBondContact O-N 3.41Å; D128-Q130 VanDerWaalsContact O-N 3.14Å; D128-Q130 WeakPolarHBondContact OD1-CA 3.35Å; D128-Q130 WeakPolarHBondContact OD1-CB 3.49Å; D128-Q130 PolarHBondContact OD1-N 3.13Å; D128-S131 PolarHBondContact N-OG 2.97Å; D128-S131 VanDerWaalsContact N-OG 3.11Å; D128-S131 PolarHBondContact O-N 3.02Å; D128-S131 PolarHBondContact O-OG 3.17Å; D128-S131 PolarHBondContact OD1-N 2.96Å; D128-L132 WeakPolarHBondContact O-CB 3.28Å; D128-L132 WeakPolarHBondContact O-CG 3.34Å; D128-L132 PolarHBondContact O-N 3.12Å; D128-D154 WeakPolarHBondContact CA-OD2 3.25Å; D128-D154 VanDerWaalsContact CB-OD2 3.27Å; D128-D154 WeakPolarHBondContact CB-OD2 3.49Å
129	A	95.9	Very high	96	Very high	40 Å²	40	48.9 Å²	48.9	33%	0.331	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.1	178.6	0	0	0	0	0	113.1	A133 D154 I157	A129-A133 WeakPolarHBondContact O-CB 3.37Å; A129-A133 PolarHBondContact O-N 3.21Å; A129-D154 HydrophobicContact CB-CB 4.26Å; A129-D154 WeakPolarHBondContact CB-OD1 3.25Å; A129-D154 PolarHBondContact N-OD2 2.64Å; A129-I157 HydrophobicContact CB-CD1 4.39Å
130	Q	96.5	Very high	96	Very high	126 Å²	126	48.9 Å²	48.9	59%	0.589	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-46.9	179.5	-59.5	-174.2	2.6	0	0	111.2	P102 K103 D128 L132 A133	P102-Q130 CarbonylContact C-O 3.58Å; P102-Q130 WeakPolarHBondContact CA-O 3.47Å; P102-Q130 HydrophobicContact CB-CB 4.07Å; P102-Q130 HydrophobicContact CG-CB 4.16Å; K103-Q130 PolarHBondContact N-O 3.25Å; D128-Q130 PolarHBondContact O-N 3.41Å; D128-Q130 VanDerWaalsContact O-N 3.14Å; D128-Q130 WeakPolarHBondContact OD1-CA 3.35Å; D128-Q130 WeakPolarHBondContact OD1-CB 3.49Å; D128-Q130 PolarHBondContact OD1-N 3.13Å; Q130-L132 VanDerWaalsContact C-N 3.34Å; Q130-L132 PolarHBondContact O-N 3.1Å; Q130-A133 VanDerWaalsContact O-CB 3.3Å; Q130-A133 WeakPolarHBondContact O-CB 3.37Å; Q130-A133 PolarHBondContact O-N 3.26Å
131	S	96.6	Very high	96	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.007	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-33.7	-179.6	66.1	0	0	0	0	112.3	F105 R126 L127 D128	F105-S131 WeakPolarHBondContact CD2-O 3.35Å; R126-S131 PolarHBondContact O-OG 2.88Å; L127-S131 WeakPolarHBondContact CA-OG 3.25Å; D128-S131 PolarHBondContact N-OG 2.97Å; D128-S131 VanDerWaalsContact N-OG 3.11Å; D128-S131 PolarHBondContact O-N 3.02Å; D128-S131 PolarHBondContact O-OG 3.17Å; D128-S131 PolarHBondContact OD1-N 2.96Å
132	L	97.3	Very high	96.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-3.2	176.4	-63.7	174.9	0	0	0	114.2	L116 L127 D128 Q130 G134 L135 F155 I157 L158	L116-L132 HydrophobicContact CD2-CD2 4.39Å; L127-L132 HydrophobicContact CB-CD1 4.46Å; L127-L132 HydrophobicContact CD2-CD2 4.35Å; D128-L132 WeakPolarHBondContact O-CB 3.28Å; D128-L132 WeakPolarHBondContact O-CG 3.34Å; D128-L132 PolarHBondContact O-N 3.12Å; Q130-L132 VanDerWaalsContact C-N 3.34Å; Q130-L132 PolarHBondContact O-N 3.1Å; L132-G134 PolarHBondContact O-N 3.07Å; L132-L135 HydrophobicContact CD2-CD1 4.09Å; L132-L135 WeakPolarHBondContact O-CB 3.24Å; L132-L135 WeakPolarHBondContact O-CG 3.11Å; L132-L135 PolarHBondContact O-N 2.67Å; L132-F155 HydrophobicContact CD1-CD1 3.68Å; L132-F155 HydrophobicContact CD1-CE1 3.87Å; L132-I157 HydrophobicContact CB-CD1 3.95Å; L132-L158 HydrophobicContact CD1-CD1 4.39Å
133	A	97.2	Very high	96.3	Very high	22 Å²	22	46.1 Å²	46.1	18%	0.182	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	134.7	-177.5	0	0	0	0	0	112.7	K103 N106 A129 Q130	K103-A133 HydrophobicContact CG-CB 3.53Å; N106-A133 WeakPolarHBondContact CB-O 3.35Å; A129-A133 WeakPolarHBondContact O-CB 3.37Å; A129-A133 PolarHBondContact O-N 3.21Å; Q130-A133 VanDerWaalsContact O-CB 3.3Å; Q130-A133 WeakPolarHBondContact O-CB 3.37Å; Q130-A133 PolarHBondContact O-N 3.26Å
134	G	96.4	Very high	96.5	Very high	37 Å²	37	44.7 Å²	44.7	38%	0.381	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	-4.1	-179.4	0	0	0	0	0	114.9	N106 L132	N106-G134 PolarHBondContact OD1-O 2.8Å; L132-G134 PolarHBondContact O-N 3.07Å
135	L	97.9	Very high	96.6	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.204	C	C	.	.			trans	-90.3	-7.3	179.2	-61.2	-175	0	0	0	114.6	F105 N106 L113 L132 E137 K138 L139 L158	F105-L135 HydrophobicContact CB-CD1 3.85Å; F105-L135 HydrophobicContact CB-CD2 4.31Å; F105-L135 HydrophobicContact CB-CG 4.46Å; N106-L135 HydrophobicContact CB-CD2 4.09Å; L113-L135 HydrophobicContact CB-CD2 4.07Å; L113-L135 HydrophobicContact CD2-CD1 4.31Å; L113-L135 HydrophobicContact CD2-CD2 4.3Å; L132-L135 HydrophobicContact CD2-CD1 4.09Å; L132-L135 WeakPolarHBondContact O-CB 3.24Å; L132-L135 WeakPolarHBondContact O-CG 3.11Å; L132-L135 PolarHBondContact O-N 2.67Å; L135-E137 VanDerWaalsContact C-N 3.28Å; L135-E137 PolarHBondContact O-N 2.9Å; L135-E137 VanDerWaalsContact O-N 3.15Å; L135-K138 PolarHBondContact O-N 3.21Å; L135-K138 VanDerWaalsContact O-N 3.12Å; L135-L139 HydrophobicContact CB-CB 4.04Å; L135-L139 HydrophobicContact CD1-CD2 4.18Å; L135-L139 WeakPolarHBondContact O-CB 3.32Å; L135-L139 PolarHBondContact O-N 3.47Å; L135-L158 HydrophobicContact CB-CD2 3.97Å
136	S	95.8	Very high	96.8	Very high	36 Å²	36	42.4 Å²	42.4	25%	0.252	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-39	-169	58.9	0	0	0	0	114.7	I157 N159 K160	S136-I157 WeakPolarHBondContact CB-O 3.43Å; S136-N159 PolarHBondContact O-N 3.46Å; S136-K160 PolarHBondContact O-N 2.84Å
137	E	94.4	Very high	96.8	Very high	107 Å²	107	35.7 Å²	35.7	50%	0.5	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	3	-174.4	-62.1	-52.7	133.1	0	0	114.3	L135 N159 K160	L135-E137 VanDerWaalsContact C-N 3.28Å; L135-E137 PolarHBondContact O-N 2.9Å; L135-E137 VanDerWaalsContact O-N 3.15Å; E137-N159 PolarHBondContact OE1-ND2 3.15Å; E137-K160 WeakPolarHBondContact OE2-CE 3.41Å
138	K	95.8	Very high	96.7	Very high	85 Å²	85	39 Å²	39	37%	0.37	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.7	-37.6	-175.3	-64	-161.6	-176.9	-169.2	0	115.1	N111 L113 L135 N140	N111-K138 WeakPolarHBondContact O-CD 3.44Å; N111-K138 VanDerWaalsContact O-CE 3.28Å; N111-K138 WeakPolarHBondContact O-CE 3.27Å; N111-K138 PolarHBondContact O-NZ 2.74Å; N111-K138 VanDerWaalsContact OD1-CD 3.3Å; N111-K138 WeakPolarHBondContact OD1-CD 3.37Å; N111-K138 WeakPolarHBondContact OD1-CE 3.43Å; L113-K138 CarbonylContact O-C 3.51Å; L135-K138 PolarHBondContact O-N 3.21Å; L135-K138 VanDerWaalsContact O-N 3.12Å; K138-N140 PolarHBondContact O-N 2.73Å; K138-N140 VanDerWaalsContact O-N 3.15Å
139	L	98.5	Very high	96.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.			trans	-70.8	113.9	-175.6	-166.3	77.9	0	0	0	109.4	L113 L116 L135 L158 K160 L161	L113-L139 HydrophobicContact CD2-CD1 4.2Å; L113-L139 HydrophobicContact CG-CD1 4.04Å; L116-L139 HydrophobicContact CB-CD1 3.93Å; L135-L139 HydrophobicContact CB-CB 4.04Å; L135-L139 HydrophobicContact CD1-CD2 4.18Å; L135-L139 WeakPolarHBondContact O-CB 3.32Å; L135-L139 PolarHBondContact O-N 3.47Å; L139-L158 HydrophobicContact CB-CD2 4.41Å; L139-L158 HydrophobicContact CD2-CD1 3.92Å; L139-L158 HydrophobicContact CD2-CD2 4.02Å; L139-K160 CarbonylContact O-C 3.57Å; L139-K160 VanDerWaalsContact O-C 3.32Å; L139-L161 WeakPolarHBondContact O-CA 3.5Å; L139-L161 PolarHBondContact O-N 3.29Å
140	N	98.5	Very high	96.3	Very high	30 Å²	30	41.9 Å²	41.9	16%	0.16	22%	0.222	C	C	.	.			trans	-108.5	-16.5	-179.7	61.2	67.6	0	0	0	113.7	E114 K138 K160 T162 R163	E114-N140 PolarHBondContact O-N 2.97Å; E114-N140 PolarHBondContact O-ND2 2.96Å; E114-N140 PolarHBondContact O-OD1 2.93Å; K138-N140 PolarHBondContact O-N 2.73Å; K138-N140 VanDerWaalsContact O-N 3.15Å; N140-K160 VanDerWaalsContact CA-O 3.32Å; N140-K160 WeakPolarHBondContact CA-O 3.35Å; N140-T162 PolarHBondContact O-N 3.14Å; N140-R163 PolarHBondContact O-N 3.19Å
141	T	98.9	Very high	96	Very high	12 Å²	12	39.8 Å²	39.8	7%	0.074	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	123.5	177.5	-50.9	0	0	0	0	110.6	E114 R115 L116 R163 Y165	E114-T141 PolarHBondContact O-N 2.84Å; R115-T141 WeakPolarHBondContact CA-O 3.35Å; L116-T141 PolarHBondContact N-O 2.89Å; T141-R163 WeakPolarHBondContact CA-O 3.4Å; T141-R163 HydrophobicContact CG2-CB 3.9Å; T141-R163 PolarHBondContact OG1-NE 2.91Å; T141-R163 VanDerWaalsContact OG1-NE 3.1Å; T141-Y165 HydrophobicContact CG2-CD2 4.15Å; T141-Y165 HydrophobicContact CG2-CE2 3.8Å
142	L	98.7	Very high	96	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.7	170.3	-179.3	58.9	0	0	0	109	L116 I144 F155 L158 L161 R163 L164 Y165	L116-L142 HydrophobicContact CB-CD1 4.11Å; L116-L142 HydrophobicContact CD2-CD1 4.06Å; L116-L142 HydrophobicContact CG-CD1 4.13Å; L142-I144 HydrophobicContact CD1-CD1 4.38Å; L142-I144 HydrophobicContact CD1-CG1 4.25Å; L142-I144 HydrophobicContact CD2-CD1 4.42Å; L142-I144 HydrophobicContact CG-CD1 4.37Å; L142-I144 HydrophobicContact CG-CG1 4.4Å; L142-F155 HydrophobicContact CD2-CD1 4.16Å; L142-F155 HydrophobicContact CD2-CD2 3.68Å; L142-F155 HydrophobicContact CD2-CE1 4Å; L142-F155 HydrophobicContact CD2-CE2 3.5Å; L142-F155 VanDerWaalsContact CD2-CE2 3.5Å; L142-F155 HydrophobicContact CD2-CG 4.04Å; L142-F155 HydrophobicContact CD2-CZ 3.68Å; L142-L158 HydrophobicContact CD2-CD1 4.23Å; L142-L161 HydrophobicContact CB-CD1 3.73Å; L142-R163 PolarHBondContact N-O 3.32Å; L142-L164 HydrophobicContact CB-CD1 4.21Å; L142-L164 HydrophobicContact CD2-CD1 4.24Å; L142-L164 HydrophobicContact CG-CD1 4.35Å; L142-Y165 PolarHBondContact O-N 3.13Å
143	R	98.8	Very high	95.9	Very high	98 Å²	98	43.2 Å²	43.2	37%	0.37	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125.2	175.8	177.9	174.2	-173.5	107.7	1.7	110	L116 S117 L118 N145 Y165	L116-R143 PolarHBondContact O-N 2.97Å; S117-R143 CarbonylContact C-O 3.58Å; S117-R143 VanDerWaalsContact CA-O 3.25Å; S117-R143 WeakPolarHBondContact CA-O 3.44Å; L118-R143 PolarHBondContact N-O 2.73Å; R143-N145 PolarHBondContact NE-OD1 3.11Å; R143-Y165 CarbonylContact C-O 3.57Å; R143-Y165 WeakPolarHBondContact CA-O 3.49Å; R143-Y165 HydrophobicContact CB-CD2 4.25Å
144	I	98.2	Very high	95.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.8	172.9	-54.3	168.2	0	0	0	106.8	L118 L127 L142 H147 L149 F155 Y165 L166 V167 T169	L118-I144 CarbonylContact O-C 3.59Å; L118-I144 WeakPolarHBondContact O-CA 3.25Å; L127-I144 HydrophobicContact CD1-CD1 3.42Å; L127-I144 VanDerWaalsContact CD1-CD1 3.42Å; L127-I144 HydrophobicContact CD1-CG1 4.15Å; L142-I144 HydrophobicContact CD1-CD1 4.38Å; L142-I144 HydrophobicContact CD1-CG1 4.25Å; L142-I144 HydrophobicContact CD2-CD1 4.42Å; L142-I144 HydrophobicContact CG-CD1 4.37Å; L142-I144 HydrophobicContact CG-CG1 4.4Å; I144-H147 HydrophobicContact CG2-CB 4.26Å; I144-L149 HydrophobicContact CB-CD1 4.5Å; I144-L149 HydrophobicContact CD1-CD1 3.91Å; I144-L149 HydrophobicContact CD1-CD2 4.35Å; I144-L149 HydrophobicContact CG2-CD1 4.21Å; I144-F155 HydrophobicContact CD1-CE2 4.1Å; I144-F155 HydrophobicContact CD1-CZ 3.66Å; I144-Y165 PolarHBondContact N-O 3.07Å; I144-Y165 VanDerWaalsContact O-O 3.13Å; I144-L166 HydrophobicContact CB-CD2 3.92Å; I144-L166 HydrophobicContact CD1-CD2 3.88Å; I144-L166 HydrophobicContact CG1-CD2 4.13Å; I144-L166 WeakPolarHBondContact O-CA 3.32Å; I144-V167 PolarHBondContact O-N 3.18Å; I144-T169 HydrophobicContact CB-CG2 4.31Å; I144-T169 HydrophobicContact CG2-CG2 3.95Å
145	N	97.6	Very high	95.9	Very high	8 Å²	8	43 Å²	43	4%	0.043	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	148.4	172.6	61.8	-95.3	0	0	0	112.4	L118 S119 N120 R143 V167	L118-N145 PolarHBondContact O-N 3.09Å; S119-N145 WeakPolarHBondContact CB-ND2 3.43Å; S119-N145 WeakPolarHBondContact CB-OD1 3.31Å; S119-N145 PolarHBondContact OG-ND2 3.37Å; N120-N145 PolarHBondContact N-O 3.18Å; R143-N145 PolarHBondContact NE-OD1 3.11Å; N145-V167 WeakPolarHBondContact CA-O 3.17Å; N145-V167 HydrophobicContact CB-CB 4.18Å; N145-V167 WeakPolarHBondContact CB-O 3.26Å
146	D	97.1	Very high	95.9	Very high	57 Å²	57	44.5 Å²	44.5	31%	0.305	23%	0.229	S	C	.	.	S	Bend	trans	59.3	49.7	178.3	-53.7	-79.2	0	0	0	112.4	N120 V167 R168	N120-D146 HydrophobicContact CB-CB 4.05Å; D146-V167 PolarHBondContact N-O 3.34Å; D146-R168 WeakPolarHBondContact CA-O 3.32Å; D146-R168 PolarHBondContact N-O 3.17Å; D146-R168 IonicContact OD1-CZ 3.43Å; D146-R168 IonicContact OD1-NE 3.89Å; D146-R168 PolarHBondContact OD1-NE 3.02Å; D146-R168 IonicContact OD1-NH2 2.88Å; D146-R168 PolarHBondContact OD1-NH2 2.9Å; D146-R168 VanDerWaalsContact OD1-NH2 3.13Å; D146-R168 IonicContact OD2-CZ 3.7Å; D146-R168 IonicContact OD2-NE 2.82Å; D146-R168 IonicContact OD2-NH2 3.72Å; D146-R168 PolarHBondContact OD2-NH2 3.49Å
147	H	93.3	Very high	95.9	Very high	26 Å²	26	45.4 Å²	45.4	12%	0.12	23%	0.231	C	C	.	.	S	Bend	trans	-153.3	135.2	176.7	179.4	74.6	0	0	0	110.9	V121 Y125 I144 L149 R168 T169	V121-H147 PolarHBondContact O-ND1 2.91Å; Y125-H147 AromaticContact CE1-CE1 3.42Å; Y125-H147 VanDerWaalsContact CE1-CE1 3.42Å; Y125-H147 WeakPolarHBondContact CE1-CE1 3.45Å; Y125-H147 AromaticContact CE1-ND1 3.85Å; Y125-H147 AromaticContact CE1-NE2 3.82Å; Y125-H147 AromaticContact CZ-CD2 3.99Å; Y125-H147 AromaticContact CZ-CE1 3.66Å; Y125-H147 AromaticContact CZ-ND1 4Å; Y125-H147 AromaticContact CZ-NE2 3.62Å; Y125-H147 PolarHBondContact OH-CD2 3.42Å; I144-H147 HydrophobicContact CG2-CB 4.26Å; H147-L149 PolarHBondContact O-N 3.03Å; H147-R168 PolarHBondContact N-O 3.17Å; H147-T169 CarbonylContact O-C 3.54Å; H147-T169 WeakPolarHBondContact O-CA 3.24Å; H147-T169 WeakPolarHBondContact O-CB 3.44Å
148	V	92.9	Very high	96	Very high	86 Å²	86	40.3 Å²	40.3	52%	0.521	21%	0.207	S	C	.	.			trans	-73.5	117.5	178.6	-179.8	0	0	0	0	109.9	H170	V148-H170 HydrophobicContact CG1-CB 4.34Å; V148-H170 HydrophobicContact CG2-CB 4.38Å
149	L	93.5	Very high	96	Very high	17 Å²	17	40.6 Å²	40.6	9%	0.089	21%	0.212	C	C	.	.			trans	-102.1	128.1	172.2	-66.6	175.2	0	0	0	109.7	I144 H147 I152 L166 T169 L171	I144-L149 HydrophobicContact CB-CD1 4.5Å; I144-L149 HydrophobicContact CD1-CD1 3.91Å; I144-L149 HydrophobicContact CD1-CD2 4.35Å; I144-L149 HydrophobicContact CG2-CD1 4.21Å; H147-L149 PolarHBondContact O-N 3.03Å; L149-I152 HydrophobicContact CD1-CG2 4.09Å; L149-L166 HydrophobicContact CD1-CD2 4.15Å; L149-T169 HydrophobicContact CD1-CG2 3.81Å; L149-T169 HydrophobicContact CG-CG2 4.25Å; L149-T169 PolarHBondContact N-O 3.19Å; L149-L171 HydrophobicContact CB-CD2 3.94Å; L149-L171 HydrophobicContact CB-CG 4.41Å
150	D	88.3	Confident	95.9	Very high	130 Å²	130	45.8 Å²	45.8	70%	0.695	24%	0.235	S	C	*	.	S	Bend	trans	-67.8	-43.6	175.4	-68.4	-27.6	0	0	0	111.5
151	N	90.1	Very high	95.9	Very high	83 Å²	83	44.3 Å²	44.3	44%	0.444	23%	0.227	S	C	.	.			trans	-161.2	-176.4	173.7	66.6	66.3	0	0	0	109.9	D153	N151-D153 WeakPolarHBondContact CB-OD1 3.36Å; N151-D153 PolarHBondContact OD1-N 3.4Å; N151-D153 VanDerWaalsContact OD1-N 3.17Å; N151-D153 PolarHBondContact OD1-OD1 3.04Å
152	I	96.4	Very high	95.9	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.015	23%	0.232	C	C	.	.			trans	-134.4	24	179.5	61.1	168.8	0	0	0	112.5	L149 D154 F155 L166 L171 L174 P175 F178	L149-I152 HydrophobicContact CD1-CG2 4.09Å; I152-D154 PolarHBondContact O-N 2.78Å; I152-F155 HydrophobicContact CB-CD2 3.71Å; I152-F155 HydrophobicContact CB-CE2 3.82Å; I152-F155 HydrophobicContact CB-CG 4.12Å; I152-F155 HydrophobicContact CB-CZ 4.32Å; I152-F155 HydrophobicContact CG2-CD2 3.97Å; I152-F155 HydrophobicContact CG2-CE2 3.55Å; I152-F155 HydrophobicContact CG2-CZ 3.98Å; I152-F155 WeakPolarHBondContact O-CB 3.42Å; I152-F155 PolarHBondContact O-N 2.62Å; I152-L166 HydrophobicContact CD1-CD1 3.96Å; I152-L166 HydrophobicContact CG2-CD1 3.97Å; I152-L171 HydrophobicContact CG2-CD1 4.14Å; I152-L171 HydrophobicContact CG2-CD2 4.25Å; I152-L174 HydrophobicContact CD1-CD2 3.71Å; I152-P175 HydrophobicContact CG1-CG 3.84Å; I152-F178 HydrophobicContact CD1-CD2 3.67Å; I152-F178 HydrophobicContact CD1-CE2 3.88Å
153	D	96.1	Very high	95.9	Very high	69 Å²	69	48.7 Å²	48.7	37%	0.369	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-57.3	-38.1	-170.3	-66.8	20.4	0	0	0	111.4	N151 F155 V156 P175 N177	N151-D153 WeakPolarHBondContact CB-OD1 3.36Å; N151-D153 PolarHBondContact OD1-N 3.4Å; N151-D153 VanDerWaalsContact OD1-N 3.17Å; N151-D153 PolarHBondContact OD1-OD1 3.04Å; D153-F155 VanDerWaalsContact C-N 3.25Å; D153-F155 PolarHBondContact O-N 3.25Å; D153-V156 WeakPolarHBondContact O-CG1 3.02Å; D153-P175 WeakPolarHBondContact OD1-CB 3.1Å; D153-P175 VanDerWaalsContact OD1-CG 3.23Å; D153-P175 WeakPolarHBondContact OD1-CG 3.43Å; D153-N177 PolarHBondContact O-ND2 2.88Å
154	D	96.8	Very high	95.9	Very high	54 Å²	54	44 Å²	44	29%	0.289	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-74	-12.1	-176.7	-69.2	-43.2	0	0	0	113.8	D128 A129 I152 V156 I157	D128-D154 WeakPolarHBondContact CA-OD2 3.25Å; D128-D154 VanDerWaalsContact CB-OD2 3.27Å; D128-D154 WeakPolarHBondContact CB-OD2 3.49Å; A129-D154 HydrophobicContact CB-CB 4.26Å; A129-D154 WeakPolarHBondContact CB-OD1 3.25Å; A129-D154 PolarHBondContact N-OD2 2.64Å; I152-D154 PolarHBondContact O-N 2.78Å; D154-V156 PolarHBondContact O-N 3.23Å; D154-I157 VanDerWaalsContact O-CG1 3.26Å; D154-I157 WeakPolarHBondContact O-CG1 3.2Å; D154-I157 PolarHBondContact O-N 3.37Å
155	F	97.5	Very high	95.9	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.009	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-68.4	-19.4	-179.4	-67.4	3.7	0	0	0	112	L127 L132 L142 I144 I152 D153 I157 L158 L164 L166 L181	L127-F155 HydrophobicContact CB-CE1 4.04Å; L132-F155 HydrophobicContact CD1-CD1 3.68Å; L132-F155 HydrophobicContact CD1-CE1 3.87Å; L142-F155 HydrophobicContact CD2-CD1 4.16Å; L142-F155 HydrophobicContact CD2-CD2 3.68Å; L142-F155 HydrophobicContact CD2-CE1 4Å; L142-F155 HydrophobicContact CD2-CE2 3.5Å; L142-F155 VanDerWaalsContact CD2-CE2 3.5Å; L142-F155 HydrophobicContact CD2-CG 4.04Å; L142-F155 HydrophobicContact CD2-CZ 3.68Å; I144-F155 HydrophobicContact CD1-CE2 4.1Å; I144-F155 HydrophobicContact CD1-CZ 3.66Å; I152-F155 HydrophobicContact CB-CD2 3.71Å; I152-F155 HydrophobicContact CB-CE2 3.82Å; I152-F155 HydrophobicContact CB-CG 4.12Å; I152-F155 HydrophobicContact CB-CZ 4.32Å; I152-F155 HydrophobicContact CG2-CD2 3.97Å; I152-F155 HydrophobicContact CG2-CE2 3.55Å; I152-F155 HydrophobicContact CG2-CZ 3.98Å; I152-F155 WeakPolarHBondContact O-CB 3.42Å; I152-F155 PolarHBondContact O-N 2.62Å; D153-F155 VanDerWaalsContact C-N 3.25Å; D153-F155 PolarHBondContact O-N 3.25Å; F155-I157 PolarHBondContact O-N 2.74Å; F155-I157 VanDerWaalsContact O-N 3.1Å; F155-L158 HydrophobicContact CB-CD1 4.46Å; F155-L158 VanDerWaalsContact O-CB 3.31Å; F155-L158 WeakPolarHBondContact O-CB 3.32Å; F155-L158 WeakPolarHBondContact O-CG 3.43Å; F155-L158 PolarHBondContact O-N 2.92Å; F155-L164 HydrophobicContact CD2-CD1 4.15Å; F155-L164 HydrophobicContact CE2-CD1 4.35Å; F155-L166 HydrophobicContact CE2-CD1 4.35Å; F155-L166 HydrophobicContact CE2-CD2 4.03Å; F155-L181 HydrophobicContact CB-CD1 4.09Å
156	V	96.3	Very high	96	Very high	32 Å²	32	45.2 Å²	45.2	19%	0.194	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-57.9	-22.3	176.6	76.6	0	0	0	0	113.4	D153 D154 L158 N177 Q180	D153-V156 WeakPolarHBondContact O-CG1 3.02Å; D154-V156 PolarHBondContact O-N 3.23Å; V156-L158 PolarHBondContact O-N 3.09Å; V156-N177 WeakPolarHBondContact CG1-ND2 3.01Å; V156-N177 HydrophobicContact CG2-CB 4.41Å; V156-Q180 HydrophobicContact CG2-CB 3.83Å; V156-Q180 HydrophobicContact CG2-CG 4.47Å; V156-Q180 VanDerWaalsContact CG2-OE1 3.3Å
157	I	96	Very high	96.1	Very high	54 Å²	54	43 Å²	43	28%	0.277	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-70.7	-12.7	177.5	77.7	-174.1	0	0	0	112.8	A129 L132 S136 D154 F155 N159	A129-I157 HydrophobicContact CB-CD1 4.39Å; L132-I157 HydrophobicContact CB-CD1 3.95Å; S136-I157 WeakPolarHBondContact CB-O 3.43Å; D154-I157 VanDerWaalsContact O-CG1 3.26Å; D154-I157 WeakPolarHBondContact O-CG1 3.2Å; D154-I157 PolarHBondContact O-N 3.37Å; F155-I157 PolarHBondContact O-N 2.74Å; F155-I157 VanDerWaalsContact O-N 3.1Å; I157-N159 PolarHBondContact O-N 2.91Å; I157-N159 VanDerWaalsContact O-N 3.16Å
158	L	97.5	Very high	96.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.23	C	C	.	.			trans	-88.9	70.7	-173.7	-57.3	171.8	0	0	0	111.5	L132 L135 L139 L142 F155 V156 K160 L161	L132-L158 HydrophobicContact CD1-CD1 4.39Å; L135-L158 HydrophobicContact CB-CD2 3.97Å; L139-L158 HydrophobicContact CB-CD2 4.41Å; L139-L158 HydrophobicContact CD2-CD1 3.92Å; L139-L158 HydrophobicContact CD2-CD2 4.02Å; L142-L158 HydrophobicContact CD2-CD1 4.23Å; F155-L158 HydrophobicContact CB-CD1 4.46Å; F155-L158 VanDerWaalsContact O-CB 3.31Å; F155-L158 WeakPolarHBondContact O-CB 3.32Å; F155-L158 WeakPolarHBondContact O-CG 3.43Å; F155-L158 PolarHBondContact O-N 2.92Å; V156-L158 PolarHBondContact O-N 3.09Å; L158-K160 PolarHBondContact O-N 3.48Å; L158-L161 HydrophobicContact CB-CB 3.83Å; L158-L161 HydrophobicContact CB-CD2 4.32Å; L158-L161 HydrophobicContact CD1-CD2 4.11Å; L158-L161 WeakPolarHBondContact O-CB 3.06Å; L158-L161 PolarHBondContact O-N 3.37Å
159	N	95.3	Very high	96.5	Very high	91 Å²	91	41.7 Å²	41.7	49%	0.487	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-22.4	-174.2	-59.3	-27.1	0	0	0	115.7	S136 E137 I157	S136-N159 PolarHBondContact O-N 3.46Å; E137-N159 PolarHBondContact OE1-ND2 3.15Å; I157-N159 PolarHBondContact O-N 2.91Å; I157-N159 VanDerWaalsContact O-N 3.16Å
160	K	97.2	Very high	96.7	Very high	109 Å²	109	45.8 Å²	45.8	47%	0.474	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	5.3	178.5	-61.8	-58.5	-176	-171.4	0	114	S136 E137 L139 N140 L158 T162	S136-K160 PolarHBondContact O-N 2.84Å; E137-K160 WeakPolarHBondContact OE2-CE 3.41Å; L139-K160 CarbonylContact O-C 3.57Å; L139-K160 VanDerWaalsContact O-C 3.32Å; N140-K160 VanDerWaalsContact CA-O 3.32Å; N140-K160 WeakPolarHBondContact CA-O 3.35Å; L158-K160 PolarHBondContact O-N 3.48Å; K160-T162 PolarHBondContact O-N 2.93Å; K160-T162 VanDerWaalsContact O-N 3.15Å
161	L	98.3	Very high	97.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.191	C	C	.	.			trans	-70	107.7	-177.8	-173.2	69	0	0	0	110.5	L139 L142 L158 R163 L164 H184 L185	L139-L161 WeakPolarHBondContact O-CA 3.5Å; L139-L161 PolarHBondContact O-N 3.29Å; L142-L161 HydrophobicContact CB-CD1 3.73Å; L158-L161 HydrophobicContact CB-CB 3.83Å; L158-L161 HydrophobicContact CB-CD2 4.32Å; L158-L161 HydrophobicContact CD1-CD2 4.11Å; L158-L161 WeakPolarHBondContact O-CB 3.06Å; L158-L161 PolarHBondContact O-N 3.37Å; L161-R163 WeakPolarHBondContact CD1-O 3.4Å; L161-L164 HydrophobicContact CD2-CB 4.47Å; L161-L164 HydrophobicContact CD2-CD1 4.34Å; L161-H184 PolarHBondContact O-CE1 2.87Å; L161-H184 PolarHBondContact O-ND1 2.81Å; L161-L185 HydrophobicContact CD2-CD2 4.28Å; L161-L185 HydrophobicContact CG-CD2 4.04Å; L161-L185 WeakPolarHBondContact O-CD2 3.07Å
162	T	98.6	Very high	97.4	Very high	29 Å²	29	39.8 Å²	39.8	18%	0.178	20%	0.195	C	C	.	.			trans	-103.5	-16.9	176.1	64.6	0	0	0	0	112.8	N140 K160 E186 D187	N140-T162 PolarHBondContact O-N 3.14Å; K160-T162 PolarHBondContact O-N 2.93Å; K160-T162 VanDerWaalsContact O-N 3.15Å; T162-E186 HydrophobicContact CG2-CG 4.41Å; T162-E186 PolarHBondContact O-N 2.86Å; T162-D187 PolarHBondContact O-N 3.02Å
163	R	98.8	Very high	97.4	Very high	75 Å²	75	46.4 Å²	46.4	28%	0.283	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121.2	-178.1	-58.8	-175.1	-97.5	-125.8	-21.2	111.5	N140 T141 L142 L161 Y165 D187	N140-R163 PolarHBondContact O-N 3.19Å; T141-R163 WeakPolarHBondContact CA-O 3.4Å; T141-R163 HydrophobicContact CG2-CB 3.9Å; T141-R163 PolarHBondContact OG1-NE 2.91Å; T141-R163 VanDerWaalsContact OG1-NE 3.1Å; L142-R163 PolarHBondContact N-O 3.32Å; L161-R163 WeakPolarHBondContact CD1-O 3.4Å; R163-Y165 HydrophobicContact CB-CE2 3.7Å; R163-D187 WeakPolarHBondContact CA-O 3.42Å; R163-D187 HydrophobicContact CB-CB 4.48Å; R163-D187 HydrophobicContact CG-CB 3.98Å
164	L	98.8	Very high	97.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	115.5	-178.1	179.3	60.8	0	0	0	110	L142 F155 L161 L166 F178 L185 D187 I188 N189	L142-L164 HydrophobicContact CB-CD1 4.21Å; L142-L164 HydrophobicContact CD2-CD1 4.24Å; L142-L164 HydrophobicContact CG-CD1 4.35Å; F155-L164 HydrophobicContact CD2-CD1 4.15Å; F155-L164 HydrophobicContact CE2-CD1 4.35Å; L161-L164 HydrophobicContact CD2-CB 4.47Å; L161-L164 HydrophobicContact CD2-CD1 4.34Å; L164-L166 HydrophobicContact CD1-CD1 4.04Å; L164-L166 HydrophobicContact CD1-CD2 3.83Å; L164-L166 HydrophobicContact CD1-CG 3.78Å; L164-L166 HydrophobicContact CD2-CD1 4.16Å; L164-L166 HydrophobicContact CG-CD1 4.15Å; L164-L166 HydrophobicContact CG-CG 4.02Å; L164-F178 HydrophobicContact CD2-CE2 3.99Å; L164-L185 HydrophobicContact CB-CD1 4.23Å; L164-L185 HydrophobicContact CB-CD2 3.71Å; L164-L185 HydrophobicContact CD2-CD1 4.03Å; L164-D187 PolarHBondContact N-O 2.82Å; L164-I188 CarbonylContact O-C 3.54Å; L164-I188 WeakPolarHBondContact O-CA 3.38Å; L164-N189 PolarHBondContact O-N 3.22Å
165	Y	98.8	Very high	97.4	Very high	33 Å²	33	42.4 Å²	42.4	13%	0.129	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	109	178.8	-50.5	-87.4	0	0	0	109.3	T141 L142 R143 I144 R163 D187 N189	T141-Y165 HydrophobicContact CG2-CD2 4.15Å; T141-Y165 HydrophobicContact CG2-CE2 3.8Å; L142-Y165 PolarHBondContact O-N 3.13Å; R143-Y165 CarbonylContact C-O 3.57Å; R143-Y165 WeakPolarHBondContact CA-O 3.49Å; R143-Y165 HydrophobicContact CB-CD2 4.25Å; I144-Y165 PolarHBondContact N-O 3.07Å; I144-Y165 VanDerWaalsContact O-O 3.13Å; R163-Y165 HydrophobicContact CB-CE2 3.7Å; Y165-D187 PolarHBondContact OH-OD2 3.38Å; Y165-N189 CarbonylContact C-O 3.58Å; Y165-N189 WeakPolarHBondContact CA-O 3.3Å; Y165-N189 HydrophobicContact CD1-CB 3.59Å; Y165-N189 HydrophobicContact CE1-CB 4.43Å; Y165-N189 HydrophobicContact CG-CB 4.4Å
166	L	98.5	Very high	97.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	91.1	178.5	-54.6	178.1	0	0	0	108.2	I144 L149 I152 F155 L164 T169 L171 N189 L190 N193	I144-L166 HydrophobicContact CB-CD2 3.92Å; I144-L166 HydrophobicContact CD1-CD2 3.88Å; I144-L166 HydrophobicContact CG1-CD2 4.13Å; I144-L166 WeakPolarHBondContact O-CA 3.32Å; L149-L166 HydrophobicContact CD1-CD2 4.15Å; I152-L166 HydrophobicContact CD1-CD1 3.96Å; I152-L166 HydrophobicContact CG2-CD1 3.97Å; F155-L166 HydrophobicContact CE2-CD1 4.35Å; F155-L166 HydrophobicContact CE2-CD2 4.03Å; L164-L166 HydrophobicContact CD1-CD1 4.04Å; L164-L166 HydrophobicContact CD1-CD2 3.83Å; L164-L166 HydrophobicContact CD1-CG 3.78Å; L164-L166 HydrophobicContact CD2-CD1 4.16Å; L164-L166 HydrophobicContact CG-CD1 4.15Å; L164-L166 HydrophobicContact CG-CG 4.02Å; L166-T169 HydrophobicContact CB-CG2 4.23Å; L166-L171 HydrophobicContact CB-CD1 4.45Å; L166-L171 HydrophobicContact CD1-CD1 3.88Å; L166-N189 PolarHBondContact N-O 2.85Å; L166-L190 HydrophobicContact CB-CD2 4.06Å; L166-L190 HydrophobicContact CD1-CD2 4.06Å; L166-L190 HydrophobicContact CG-CD2 4.36Å; L166-L190 WeakPolarHBondContact O-CA 3.39Å; L166-N193 PolarHBondContact O-ND2 3.47Å
167	V	98.6	Very high	97.2	Very high	10 Å²	10	49.5 Å²	49.5	6%	0.061	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.4	-172.1	179.7	0	0	0	0	110.3	I144 N145 D146 T169 N189 S191 E192	I144-V167 PolarHBondContact O-N 3.18Å; N145-V167 WeakPolarHBondContact CA-O 3.17Å; N145-V167 HydrophobicContact CB-CB 4.18Å; N145-V167 WeakPolarHBondContact CB-O 3.26Å; D146-V167 PolarHBondContact N-O 3.34Å; V167-T169 VanDerWaalsContact C-N 3.29Å; V167-T169 PolarHBondContact O-N 3.1Å; V167-N189 HydrophobicContact CG2-CB 4.32Å; V167-N189 WeakPolarHBondContact CG2-OD1 3.13Å; V167-S191 WeakPolarHBondContact CA-O 3.42Å; V167-E192 HydrophobicContact CG1-CB 4.45Å
168	R	98.3	Very high	97.2	Very high	84 Å²	84	47 Å²	47	32%	0.317	23%	0.229	S	C	.	.	S	Bend	trans	53.1	50	-174.1	-65	-175.2	-63.2	-72.2	-13.7	111.6	D146 H147 S191 E192	D146-R168 WeakPolarHBondContact CA-O 3.32Å; D146-R168 PolarHBondContact N-O 3.17Å; D146-R168 IonicContact OD1-CZ 3.43Å; D146-R168 IonicContact OD1-NE 3.89Å; D146-R168 PolarHBondContact OD1-NE 3.02Å; D146-R168 IonicContact OD1-NH2 2.88Å; D146-R168 PolarHBondContact OD1-NH2 2.9Å; D146-R168 VanDerWaalsContact OD1-NH2 3.13Å; D146-R168 IonicContact OD2-CZ 3.7Å; D146-R168 IonicContact OD2-NE 2.82Å; D146-R168 IonicContact OD2-NH2 3.72Å; D146-R168 PolarHBondContact OD2-NH2 3.49Å; H147-R168 PolarHBondContact N-O 3.17Å; R168-S191 PolarHBondContact N-O 2.8Å; R168-E192 WeakPolarHBondContact CA-O 3.13Å; R168-E192 WeakPolarHBondContact CD-OE2 2.98Å; R168-E192 HydrophobicContact CG-CB 3.46Å; R168-E192 VanDerWaalsContact CG-CB 3.46Å; R168-E192 HydrophobicContact CG-CG 4.29Å; R168-E192 WeakPolarHBondContact CG-OE2 3.24Å; R168-E192 IonicContact CZ-OE2 3.09Å; R168-E192 PolarHBondContact N-O 3.31Å; R168-E192 IonicContact NE-OE2 3.35Å; R168-E192 IonicContact NH1-OE1 2.91Å; R168-E192 PolarHBondContact NH1-OE1 2.93Å; R168-E192 IonicContact NH1-OE2 3.64Å; R168-E192 PolarHBondContact NH1-OE2 3.19Å
169	T	97.4	Very high	97.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.25	C	C	.	.			trans	-103.4	0.8	177.4	55	0	0	0	0	114.8	I144 H147 L149 L166 V167 L171 N193	I144-T169 HydrophobicContact CB-CG2 4.31Å; I144-T169 HydrophobicContact CG2-CG2 3.95Å; H147-T169 CarbonylContact O-C 3.54Å; H147-T169 WeakPolarHBondContact O-CA 3.24Å; H147-T169 WeakPolarHBondContact O-CB 3.44Å; L149-T169 HydrophobicContact CD1-CG2 3.81Å; L149-T169 HydrophobicContact CG-CG2 4.25Å; L149-T169 PolarHBondContact N-O 3.19Å; L166-T169 HydrophobicContact CB-CG2 4.23Å; V167-T169 VanDerWaalsContact C-N 3.29Å; V167-T169 PolarHBondContact O-N 3.1Å; T169-L171 PolarHBondContact O-N 3.03Å; T169-L171 VanDerWaalsContact O-N 3.13Å; T169-N193 VanDerWaalsContact CA-OD1 3.3Å; T169-N193 WeakPolarHBondContact CA-OD1 3.35Å; T169-N193 PolarHBondContact N-OD1 3.48Å; T169-N193 PolarHBondContact OG1-OD1 3.24Å
170	H	96.4	Very high	97.2	Very high	103 Å²	103	52.4 Å²	52.4	48%	0.477	25%	0.25	S	S	.	.			trans	59.2	18.6	178.7	-65.7	-106.5	0	0	0	114.7	V148 T172 N193	V148-H170 HydrophobicContact CG1-CB 4.34Å; V148-H170 HydrophobicContact CG2-CB 4.38Å; H170-T172 PolarHBondContact O-N 3.37Å; H170-N193 PolarHBondContact N-OD1 3.49Å; H170-N193 VanDerWaalsContact N-OD1 3.09Å
171	L	97.2	Very high	97.2	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.016	23%	0.228	C	C	.	.			trans	-61.7	125.8	175.1	-69.8	169.8	0	0	0	109.5	L149 I152 L166 T169 N193 L194 L195	L149-L171 HydrophobicContact CB-CD2 3.94Å; L149-L171 HydrophobicContact CB-CG 4.41Å; I152-L171 HydrophobicContact CG2-CD1 4.14Å; I152-L171 HydrophobicContact CG2-CD2 4.25Å; L166-L171 HydrophobicContact CB-CD1 4.45Å; L166-L171 HydrophobicContact CD1-CD1 3.88Å; T169-L171 PolarHBondContact O-N 3.03Å; T169-L171 VanDerWaalsContact O-N 3.13Å; L171-N193 HydrophobicContact CB-CB 4.49Å; L171-N193 PolarHBondContact N-OD1 2.77Å; L171-L194 CarbonylContact O-C 3.32Å; L171-L194 VanDerWaalsContact O-C 3.23Å; L171-L194 WeakPolarHBondContact O-CA 3.4Å; L171-L194 PolarHBondContact O-N 3.45Å; L171-L195 HydrophobicContact CB-CD2 3.88Å; L171-L195 HydrophobicContact CB-CG 4.45Å; L171-L195 PolarHBondContact O-N 2.93Å
172	T	96.8	Very high	97.2	Very high	84 Å²	84	47.4 Å²	47.4	52%	0.515	23%	0.229	S	C	.	.			trans	-95.2	-24.9	176	54.4	0	0	0	0	112.2	H170 L194	H170-T172 PolarHBondContact O-N 3.37Å; T172-L194 HydrophobicContact CG2-CB 4.02Å; T172-L194 HydrophobicContact CG2-CD1 4.24Å
173	Q	96.4	Very high	97.1	Very high	143 Å²	143	50.6 Å²	50.6	67%	0.668	25%	0.248	S	C	*	.			trans	-148	155.4	177.6	63.7	-175.9	25.2	0	0	110.8
174	L	96.6	Very high	97	Very high	20 Å²	20	49.1 Å²	49.1	11%	0.105	24%	0.244	C	C	.	.			trans	-99.1	144.2	168.2	-63.5	166.9	0	0	0	109.1	I152 F178 L190 L195 I198	I152-L174 HydrophobicContact CD1-CD2 3.71Å; L174-F178 HydrophobicContact CB-CB 4.17Å; L174-F178 HydrophobicContact CB-CD1 4.44Å; L174-F178 HydrophobicContact CB-CG 4.12Å; L174-F178 HydrophobicContact CD1-CD1 3.88Å; L174-F178 HydrophobicContact CD1-CE1 3.84Å; L174-F178 HydrophobicContact CD1-CE2 4.47Å; L174-F178 HydrophobicContact CD1-CG 4.22Å; L174-F178 HydrophobicContact CD1-CZ 4.14Å; L174-F178 HydrophobicContact CD2-CD2 4.08Å; L174-F178 HydrophobicContact CD2-CE2 4.09Å; L174-F178 HydrophobicContact CD2-CG 4.45Å; L174-F178 HydrophobicContact CD2-CZ 4.49Å; L174-F178 HydrophobicContact CG-CG 4.5Å; L174-L190 HydrophobicContact CD1-CD1 4.04Å; L174-L195 HydrophobicContact CD1-CD1 4.31Å; L174-L195 HydrophobicContact CD2-CD1 4.39Å; L174-L195 HydrophobicContact CD2-CD2 4.24Å; L174-L195 HydrophobicContact CG-CD1 4.29Å; L174-L195 HydrophobicContact CG-CD2 3.87Å; L174-I198 HydrophobicContact CD1-CB 3.86Å; L174-I198 HydrophobicContact CD1-CD1 3.83Å; L174-I198 HydrophobicContact CD1-CG1 3.53Å
175	P	96	Very high	96.9	Very high	19 Å²	19	49.1 Å²	49.1	12%	0.123	24%	0.244	C	C	.	.			trans	-72.3	158.2	179.9	30.2	-36.4	0	0	0	113	I152 D153 N177 F178	I152-P175 HydrophobicContact CG1-CG 3.84Å; D153-P175 WeakPolarHBondContact OD1-CB 3.1Å; D153-P175 VanDerWaalsContact OD1-CG 3.23Å; D153-P175 WeakPolarHBondContact OD1-CG 3.43Å; P175-N177 VanDerWaalsContact CB-OD1 3.25Å; P175-N177 WeakPolarHBondContact CB-OD1 3.36Å; P175-N177 WeakPolarHBondContact CG-OD1 3.48Å; P175-N177 PolarHBondContact O-N 2.94Å; P175-N177 VanDerWaalsContact O-N 3.1Å; P175-F178 HydrophobicContact CG-CB 4.45Å; P175-F178 WeakPolarHBondContact O-CB 3.28Å; P175-F178 PolarHBondContact O-N 2.96Å
176	N	94.2	Very high	96.9	Very high	148 Å²	148	49.7 Å²	49.7	79%	0.791	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.4	-178	-76.7	-20.4	0	0	0	113.9	F178 K179	N176-F178 VanDerWaalsContact C-N 3.28Å; N176-K179 WeakPolarHBondContact O-CD 3.33Å; N176-K179 VanDerWaalsContact O-CE 3.31Å; N176-K179 WeakPolarHBondContact O-CE 3.29Å; N176-K179 VanDerWaalsContact O-CG 3.27Å; N176-K179 WeakPolarHBondContact O-CG 3.47Å
177	N	95.1	Very high	96.9	Very high	35 Å²	35	50.4 Å²	50.4	19%	0.187	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-5.5	176.6	66.2	-13.4	0	0	0	113	D153 V156 P175 K179 Q180	D153-N177 PolarHBondContact O-ND2 2.88Å; V156-N177 WeakPolarHBondContact CG1-ND2 3.01Å; V156-N177 HydrophobicContact CG2-CB 4.41Å; P175-N177 VanDerWaalsContact CB-OD1 3.25Å; P175-N177 WeakPolarHBondContact CB-OD1 3.36Å; P175-N177 WeakPolarHBondContact CG-OD1 3.48Å; P175-N177 PolarHBondContact O-N 2.94Å; P175-N177 VanDerWaalsContact O-N 3.1Å; N177-K179 PolarHBondContact O-N 2.58Å; N177-Q180 VanDerWaalsContact O-CB 3.26Å; N177-Q180 WeakPolarHBondContact O-CB 3.48Å; N177-Q180 PolarHBondContact O-N 2.77Å
178	F	97	Very high	96.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.4	-30.2	174.4	-172.1	-96.9	0	0	0	112.5	I152 L164 L174 P175 N176 Q180 L181 L182 L190 I198 P199	I152-F178 HydrophobicContact CD1-CD2 3.67Å; I152-F178 HydrophobicContact CD1-CE2 3.88Å; L164-F178 HydrophobicContact CD2-CE2 3.99Å; L174-F178 HydrophobicContact CB-CB 4.17Å; L174-F178 HydrophobicContact CB-CD1 4.44Å; L174-F178 HydrophobicContact CB-CG 4.12Å; L174-F178 HydrophobicContact CD1-CD1 3.88Å; L174-F178 HydrophobicContact CD1-CE1 3.84Å; L174-F178 HydrophobicContact CD1-CE2 4.47Å; L174-F178 HydrophobicContact CD1-CG 4.22Å; L174-F178 HydrophobicContact CD1-CZ 4.14Å; L174-F178 HydrophobicContact CD2-CD2 4.08Å; L174-F178 HydrophobicContact CD2-CE2 4.09Å; L174-F178 HydrophobicContact CD2-CG 4.45Å; L174-F178 HydrophobicContact CD2-CZ 4.49Å; L174-F178 HydrophobicContact CG-CG 4.5Å; P175-F178 HydrophobicContact CG-CB 4.45Å; P175-F178 WeakPolarHBondContact O-CB 3.28Å; P175-F178 PolarHBondContact O-N 2.96Å; N176-F178 VanDerWaalsContact C-N 3.28Å; F178-Q180 PolarHBondContact O-N 2.88Å; F178-L181 HydrophobicContact CD2-CD1 3.89Å; F178-L181 HydrophobicContact CE2-CD1 4.26Å; F178-L181 WeakPolarHBondContact O-CB 3.41Å; F178-L181 PolarHBondContact O-N 2.86Å; F178-L182 HydrophobicContact CD1-CD1 4.13Å; F178-L182 HydrophobicContact CD1-CD2 4.5Å; F178-L182 HydrophobicContact CD1-CG 4.01Å; F178-L182 HydrophobicContact CE1-CD1 4.08Å; F178-L182 HydrophobicContact CE1-CD2 3.76Å; F178-L182 HydrophobicContact CE1-CG 3.77Å; F178-L182 HydrophobicContact CZ-CD2 4.38Å; F178-L182 PolarHBondContact O-N 3.21Å; F178-L182 VanDerWaalsContact O-N 3.1Å; F178-L190 HydrophobicContact CZ-CD1 4.32Å; F178-I198 HydrophobicContact CD1-CG1 4.28Å; F178-I198 HydrophobicContact CE1-CD1 3.77Å; F178-I198 HydrophobicContact CE1-CG1 3.95Å; F178-I198 HydrophobicContact CZ-CD1 4.45Å; F178-P199 HydrophobicContact CD1-CG 4.12Å
179	K	96.7	Very high	97	Very high	100 Å²	100	46.5 Å²	46.5	44%	0.435	24%	0.237	S	C	.	.	H	α-helix	trans	-57.3	-28.5	171.8	68.4	-168.7	175.5	175.8	0	113.7	N176 N177 L182 P199 E202	N176-K179 WeakPolarHBondContact O-CD 3.33Å; N176-K179 VanDerWaalsContact O-CE 3.31Å; N176-K179 WeakPolarHBondContact O-CE 3.29Å; N176-K179 VanDerWaalsContact O-CG 3.27Å; N176-K179 WeakPolarHBondContact O-CG 3.47Å; N177-K179 PolarHBondContact O-N 2.58Å; K179-L182 PolarHBondContact O-N 3.2Å; K179-P199 HydrophobicContact CB-CG 4.39Å; K179-E202 HydrophobicContact CB-CB 4.39Å; K179-E202 HydrophobicContact CB-CG 4.05Å
180	Q	96.3	Very high	97	Very high	106 Å²	106	46.5 Å²	46.5	50%	0.495	24%	0.237	S	C	.	.	H	α-helix	trans	-71.7	-39.7	175.2	-58.3	179.9	24.3	0	0	110.8	V156 N177 F178 L182 T183	V156-Q180 HydrophobicContact CG2-CB 3.83Å; V156-Q180 HydrophobicContact CG2-CG 4.47Å; V156-Q180 VanDerWaalsContact CG2-OE1 3.3Å; N177-Q180 VanDerWaalsContact O-CB 3.26Å; N177-Q180 WeakPolarHBondContact O-CB 3.48Å; N177-Q180 PolarHBondContact O-N 2.77Å; F178-Q180 PolarHBondContact O-N 2.88Å; Q180-L182 VanDerWaalsContact C-N 3.29Å; Q180-L182 PolarHBondContact O-N 2.8Å; Q180-T183 WeakPolarHBondContact O-CB 3.43Å; Q180-T183 WeakPolarHBondContact O-CG2 3.31Å; Q180-T183 PolarHBondContact O-N 3.05Å; Q180-T183 VanDerWaalsContact O-N 3.13Å; Q180-T183 PolarHBondContact O-OG1 2.87Å
181	L	97	Very high	97.1	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-62.2	-37.8	174.2	-68.6	173.5	0	0	0	111.9	F155 F178 T183 H184 L185	F155-L181 HydrophobicContact CB-CD1 4.09Å; F178-L181 HydrophobicContact CD2-CD1 3.89Å; F178-L181 HydrophobicContact CE2-CD1 4.26Å; F178-L181 WeakPolarHBondContact O-CB 3.41Å; F178-L181 PolarHBondContact O-N 2.86Å; L181-T183 PolarHBondContact O-N 2.92Å; L181-T183 VanDerWaalsContact O-N 3.07Å; L181-H184 PolarHBondContact O-N 2.97Å; L181-L185 HydrophobicContact CB-CD1 3.83Å; L181-L185 HydrophobicContact CB-CG 4.41Å; L181-L185 VanDerWaalsContact O-CG 3.29Å; L181-L185 WeakPolarHBondContact O-CG 3.27Å; L181-L185 PolarHBondContact O-N 3.23Å; L181-L185 VanDerWaalsContact O-N 3.12Å
182	L	97.6	Very high	97.2	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.5	176.6	-71.6	178.1	0	0	0	113.3	F178 K179 Q180 H184 I188 P199 E202 L203 R206	F178-L182 HydrophobicContact CD1-CD1 4.13Å; F178-L182 HydrophobicContact CD1-CD2 4.5Å; F178-L182 HydrophobicContact CD1-CG 4.01Å; F178-L182 HydrophobicContact CE1-CD1 4.08Å; F178-L182 HydrophobicContact CE1-CD2 3.76Å; F178-L182 HydrophobicContact CE1-CG 3.77Å; F178-L182 HydrophobicContact CZ-CD2 4.38Å; F178-L182 PolarHBondContact O-N 3.21Å; F178-L182 VanDerWaalsContact O-N 3.1Å; K179-L182 PolarHBondContact O-N 3.2Å; Q180-L182 VanDerWaalsContact C-N 3.29Å; Q180-L182 PolarHBondContact O-N 2.8Å; L182-H184 PolarHBondContact O-N 2.88Å; L182-I188 HydrophobicContact CD2-CD1 3.72Å; L182-P199 HydrophobicContact CD1-CB 4.49Å; L182-P199 HydrophobicContact CD1-CG 3.74Å; L182-E202 HydrophobicContact CD1-CB 4.04Å; L182-L203 HydrophobicContact CD1-CB 4.17Å; L182-L203 HydrophobicContact CD2-CD1 4.06Å; L182-R206 WeakPolarHBondContact O-CB 3.36Å; L182-R206 WeakPolarHBondContact O-CD 3.48Å; L182-R206 WeakPolarHBondContact O-CG 2.97Å; L182-R206 PolarHBondContact O-NE 3.31Å
183	T	96.1	Very high	97.3	Very high	95 Å²	95	41.8 Å²	41.8	58%	0.583	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-25.5	178.3	65	0	0	0	0	113.4	Q180 L181 R206	Q180-T183 WeakPolarHBondContact O-CB 3.43Å; Q180-T183 WeakPolarHBondContact O-CG2 3.31Å; Q180-T183 PolarHBondContact O-N 3.05Å; Q180-T183 VanDerWaalsContact O-N 3.13Å; Q180-T183 PolarHBondContact O-OG1 2.87Å; L181-T183 PolarHBondContact O-N 2.92Å; L181-T183 VanDerWaalsContact O-N 3.07Å; T183-R206 PolarHBondContact O-NH1 3.06Å
184	H	96.2	Very high	97.3	Very high	44 Å²	44	38.5 Å²	38.5	20%	0.204	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.8	-9.7	-172.3	61.1	74.3	0	0	0	115.1	L161 L181 L182 R206	L161-H184 PolarHBondContact O-CE1 2.87Å; L161-H184 PolarHBondContact O-ND1 2.81Å; L181-H184 PolarHBondContact O-N 2.97Å; L182-H184 PolarHBondContact O-N 2.88Å; H184-R206 PolarHBondContact O-NH2 3.48Å
185	L	98.4	Very high	97.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.			trans	-65.4	141.5	174.9	-75.1	172.4	0	0	0	111.9	L161 L164 L181 I188 R206 F212	L161-L185 HydrophobicContact CD2-CD2 4.28Å; L161-L185 HydrophobicContact CG-CD2 4.04Å; L161-L185 WeakPolarHBondContact O-CD2 3.07Å; L164-L185 HydrophobicContact CB-CD1 4.23Å; L164-L185 HydrophobicContact CB-CD2 3.71Å; L164-L185 HydrophobicContact CD2-CD1 4.03Å; L181-L185 HydrophobicContact CB-CD1 3.83Å; L181-L185 HydrophobicContact CB-CG 4.41Å; L181-L185 VanDerWaalsContact O-CG 3.29Å; L181-L185 WeakPolarHBondContact O-CG 3.27Å; L181-L185 PolarHBondContact O-N 3.23Å; L181-L185 VanDerWaalsContact O-N 3.12Å; L185-I188 HydrophobicContact CB-CD1 3.76Å; L185-I188 HydrophobicContact CB-CG1 3.88Å; L185-I188 HydrophobicContact CD1-CD1 3.92Å; L185-I188 HydrophobicContact CD1-CG1 4.12Å; L185-I188 HydrophobicContact CG-CD1 4.48Å; L185-I188 HydrophobicContact CG-CG1 4.5Å; L185-R206 VanDerWaalsContact O-CZ 3.23Å; L185-R206 PolarHBondContact O-NE 3.47Å; L185-R206 PolarHBondContact O-NH2 2.85Å; L185-F212 VanDerWaalsContact O-CD2 3.28Å; L185-F212 WeakPolarHBondContact O-CD2 3.23Å
186	E	98.5	Very high	97.5	Very high	45 Å²	45	39.8 Å²	39.8	21%	0.21	21%	0.205	C	C	.	.			trans	-119.9	-39	-174.9	-64	171.8	178.2	0	0	112.1	T162 Q211 L213 K214	T162-E186 HydrophobicContact CG2-CG 4.41Å; T162-E186 PolarHBondContact O-N 2.86Å; E186-Q211 WeakPolarHBondContact CG-O 3.16Å; E186-L213 HydrophobicContact CB-CD1 4.44Å; E186-L213 HydrophobicContact CB-CG 4.26Å; E186-L213 WeakPolarHBondContact O-CA 3.36Å; E186-L213 VanDerWaalsContact O-CB 3.32Å; E186-L213 WeakPolarHBondContact O-CB 3.4Å; E186-L213 PolarHBondContact O-N 3.18Å; E186-K214 PolarHBondContact O-N 2.57Å
187	D	98.8	Very high	97.6	Very high	15 Å²	15	38 Å²	38	8%	0.08	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	113.4	178	-171.6	-8.4	0	0	0	109.1	T162 R163 L164 Y165 L213 K214	T162-D187 PolarHBondContact O-N 3.02Å; R163-D187 WeakPolarHBondContact CA-O 3.42Å; R163-D187 HydrophobicContact CB-CB 4.48Å; R163-D187 HydrophobicContact CG-CB 3.98Å; L164-D187 PolarHBondContact N-O 2.82Å; Y165-D187 PolarHBondContact OH-OD2 3.38Å; D187-L213 HydrophobicContact CB-CD1 4.42Å; D187-K214 VanDerWaalsContact CG-CE 3.43Å; D187-K214 WeakPolarHBondContact OD1-CE 3.4Å; D187-K214 VanDerWaalsContact OD1-CG 3.24Å; D187-K214 WeakPolarHBondContact OD1-CG 3.29Å; D187-K214 VanDerWaalsContact OD2-CE 3.27Å; D187-K214 WeakPolarHBondContact OD2-CE 3.46Å
188	I	98.8	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.7	-173.9	-56.1	175.7	0	0	0	108.9	L164 L182 L185 L190 F212 K214 I215 Q216	L164-I188 CarbonylContact O-C 3.54Å; L164-I188 WeakPolarHBondContact O-CA 3.38Å; L182-I188 HydrophobicContact CD2-CD1 3.72Å; L185-I188 HydrophobicContact CB-CD1 3.76Å; L185-I188 HydrophobicContact CB-CG1 3.88Å; L185-I188 HydrophobicContact CD1-CD1 3.92Å; L185-I188 HydrophobicContact CD1-CG1 4.12Å; L185-I188 HydrophobicContact CG-CD1 4.48Å; L185-I188 HydrophobicContact CG-CG1 4.5Å; I188-L190 HydrophobicContact CG2-CD1 4.13Å; I188-L190 HydrophobicContact CG2-CD2 4.42Å; I188-L190 HydrophobicContact CG2-CG 3.82Å; I188-F212 HydrophobicContact CD1-CE2 3.9Å; I188-F212 HydrophobicContact CD1-CZ 4.1Å; I188-F212 HydrophobicContact CG1-CE2 4.37Å; I188-F212 HydrophobicContact CG1-CZ 4.46Å; I188-K214 PolarHBondContact N-O 3.35Å; I188-I215 HydrophobicContact CB-CB 4.3Å; I188-I215 HydrophobicContact CB-CD1 4.11Å; I188-I215 HydrophobicContact CB-CG1 3.87Å; I188-I215 HydrophobicContact CD1-CD1 4.26Å; I188-I215 HydrophobicContact CG2-CD1 3.92Å; I188-I215 HydrophobicContact CG2-CG1 3.93Å; I188-I215 CarbonylContact O-C 3.55Å; I188-I215 VanDerWaalsContact O-CA 3.24Å; I188-I215 WeakPolarHBondContact O-CA 3.49Å; I188-Q216 PolarHBondContact O-N 3.36Å
189	N	98.8	Very high	97.7	Very high	12 Å²	12	37 Å²	37	6%	0.064	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	118.3	166.3	-174	-20.3	0	0	0	109.4	L164 Y165 L166 V167 S191 Q216	L164-N189 PolarHBondContact O-N 3.22Å; Y165-N189 CarbonylContact C-O 3.58Å; Y165-N189 WeakPolarHBondContact CA-O 3.3Å; Y165-N189 HydrophobicContact CD1-CB 3.59Å; Y165-N189 HydrophobicContact CE1-CB 4.43Å; Y165-N189 HydrophobicContact CG-CB 4.4Å; L166-N189 PolarHBondContact N-O 2.85Å; V167-N189 HydrophobicContact CG2-CB 4.32Å; V167-N189 WeakPolarHBondContact CG2-OD1 3.13Å; N189-S191 VanDerWaalsContact OD1-CB 3.23Å; N189-S191 WeakPolarHBondContact OD1-CB 3.21Å; N189-S191 PolarHBondContact OD1-N 3Å; N189-S191 PolarHBondContact OD1-OG 3.22Å; N189-Q216 HydrophobicContact CB-CB 4.18Å; N189-Q216 PolarHBondContact ND2-OE1 3.29Å
190	L	98.6	Very high	97.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.163	C	C	.	.			trans	-119.4	20.6	176	-61.2	174.9	0	0	0	111.2	L166 L174 F178 I188 N193 L195 I198 Q216 N220	L166-L190 HydrophobicContact CB-CD2 4.06Å; L166-L190 HydrophobicContact CD1-CD2 4.06Å; L166-L190 HydrophobicContact CG-CD2 4.36Å; L166-L190 WeakPolarHBondContact O-CA 3.39Å; L174-L190 HydrophobicContact CD1-CD1 4.04Å; F178-L190 HydrophobicContact CZ-CD1 4.32Å; I188-L190 HydrophobicContact CG2-CD1 4.13Å; I188-L190 HydrophobicContact CG2-CD2 4.42Å; I188-L190 HydrophobicContact CG2-CG 3.82Å; L190-N193 PolarHBondContact O-ND2 3.35Å; L190-L195 HydrophobicContact CB-CD1 3.99Å; L190-L195 HydrophobicContact CD1-CD1 4.09Å; L190-L195 HydrophobicContact CG-CD1 4.48Å; L190-I198 HydrophobicContact CD1-CD1 3.77Å; L190-Q216 PolarHBondContact N-O 2.89Å; L190-N220 PolarHBondContact O-ND2 3.43Å
191	S	98.6	Very high	97.8	Very high	7 Å²	7	33.3 Å²	33.3	5%	0.049	17%	0.166	C	C	.	.			trans	-65.5	153.3	-173.3	71.6	0	0	0	0	112.4	V167 R168 N189 N193 S218	V167-S191 WeakPolarHBondContact CA-O 3.42Å; R168-S191 PolarHBondContact N-O 2.8Å; N189-S191 VanDerWaalsContact OD1-CB 3.23Å; N189-S191 WeakPolarHBondContact OD1-CB 3.21Å; N189-S191 PolarHBondContact OD1-N 3Å; N189-S191 PolarHBondContact OD1-OG 3.22Å; S191-N193 VanDerWaalsContact C-N 3.33Å; S191-N193 PolarHBondContact O-N 3.31Å; S191-N193 PolarHBondContact O-ND2 3.1Å; S191-S218 CarbonylContact C-O 3.6Å; S191-S218 WeakPolarHBondContact CA-O 3.27Å; S191-S218 WeakPolarHBondContact CB-OG 3.47Å
192	E	98.4	Very high	97.9	Very high	77 Å²	77	36.1 Å²	36.1	36%	0.36	18%	0.179	S	C	.	.	S	Bend	trans	59	43	174.6	-54.2	171.1	-106.8	0	0	112.3	V167 R168 S218 E219	V167-E192 HydrophobicContact CG1-CB 4.45Å; R168-E192 WeakPolarHBondContact CA-O 3.13Å; R168-E192 WeakPolarHBondContact CD-OE2 2.98Å; R168-E192 HydrophobicContact CG-CB 3.46Å; R168-E192 VanDerWaalsContact CG-CB 3.46Å; R168-E192 HydrophobicContact CG-CG 4.29Å; R168-E192 WeakPolarHBondContact CG-OE2 3.24Å; R168-E192 IonicContact CZ-OE2 3.09Å; R168-E192 PolarHBondContact N-O 3.31Å; R168-E192 IonicContact NE-OE2 3.35Å; R168-E192 IonicContact NH1-OE1 2.91Å; R168-E192 PolarHBondContact NH1-OE1 2.93Å; R168-E192 IonicContact NH1-OE2 3.64Å; R168-E192 PolarHBondContact NH1-OE2 3.19Å; E192-S218 PolarHBondContact N-O 2.92Å; E192-E219 CarbonylContact C-O 3.24Å; E192-E219 WeakPolarHBondContact CA-O 3.29Å; E192-E219 HydrophobicContact CB-CB 4.25Å; E192-E219 HydrophobicContact CG-CB 3.79Å; E192-E219 HydrophobicContact CG-CG 4.09Å; E192-E219 PolarHBondContact N-O 2.82Å
193	N	98.4	Very high	97.9	Very high	8 Å²	8	36 Å²	36	4%	0.043	18%	0.179	C	C	.	.	S	Bend	trans	-112.1	-164.6	170.6	-73.7	-73	0	0	0	110	L166 T169 H170 L171 L190 S191 L195 E219 N220	L166-N193 PolarHBondContact O-ND2 3.47Å; T169-N193 VanDerWaalsContact CA-OD1 3.3Å; T169-N193 WeakPolarHBondContact CA-OD1 3.35Å; T169-N193 PolarHBondContact N-OD1 3.48Å; T169-N193 PolarHBondContact OG1-OD1 3.24Å; H170-N193 PolarHBondContact N-OD1 3.49Å; H170-N193 VanDerWaalsContact N-OD1 3.09Å; L171-N193 HydrophobicContact CB-CB 4.49Å; L171-N193 PolarHBondContact N-OD1 2.77Å; L190-N193 PolarHBondContact O-ND2 3.35Å; S191-N193 VanDerWaalsContact C-N 3.33Å; S191-N193 PolarHBondContact O-N 3.31Å; S191-N193 PolarHBondContact O-ND2 3.1Å; N193-L195 HydrophobicContact CB-CD1 4.36Å; N193-L195 HydrophobicContact CB-CG 4.05Å; N193-E219 PolarHBondContact N-O 2.98Å; N193-E219 VanDerWaalsContact O-O 3.13Å; N193-N220 WeakPolarHBondContact CA-OD1 3.33Å; N193-N220 VanDerWaalsContact CB-OD1 3.22Å; N193-N220 WeakPolarHBondContact CB-OD1 3.09Å; N193-N220 PolarHBondContact O-OD1 2.77Å
194	L	97.8	Very high	98	Very high	74 Å²	74	31.7 Å²	31.7	39%	0.387	15%	0.153	S	C	.	.			trans	-118.3	26.3	177.9	-60.5	173.3	0	0	0	110.6	L171 T172 L221	L171-L194 CarbonylContact O-C 3.32Å; L171-L194 VanDerWaalsContact O-C 3.23Å; L171-L194 WeakPolarHBondContact O-CA 3.4Å; L171-L194 PolarHBondContact O-N 3.45Å; T172-L194 HydrophobicContact CG2-CB 4.02Å; T172-L194 HydrophobicContact CG2-CD1 4.24Å; L194-L221 HydrophobicContact CB-CD1 4.29Å; L194-L221 HydrophobicContact CD2-CD1 4.13Å
195	L	98.2	Very high	98.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.168	C	C	.	.			trans	-70.1	134.2	-175.3	-62.4	171.4	0	0	0	110.1	L171 L174 L190 N193 N220 L221 W222	L171-L195 HydrophobicContact CB-CD2 3.88Å; L171-L195 HydrophobicContact CB-CG 4.45Å; L171-L195 PolarHBondContact O-N 2.93Å; L174-L195 HydrophobicContact CD1-CD1 4.31Å; L174-L195 HydrophobicContact CD2-CD1 4.39Å; L174-L195 HydrophobicContact CD2-CD2 4.24Å; L174-L195 HydrophobicContact CG-CD1 4.29Å; L174-L195 HydrophobicContact CG-CD2 3.87Å; L190-L195 HydrophobicContact CB-CD1 3.99Å; L190-L195 HydrophobicContact CD1-CD1 4.09Å; L190-L195 HydrophobicContact CG-CD1 4.48Å; N193-L195 HydrophobicContact CB-CD1 4.36Å; N193-L195 HydrophobicContact CB-CG 4.05Å; L195-N220 VanDerWaalsContact CB-OD1 3.29Å; L195-N220 WeakPolarHBondContact CB-OD1 3.47Å; L195-N220 PolarHBondContact N-OD1 3.39Å; L195-L221 CarbonylContact O-C 3.6Å; L195-L221 VanDerWaalsContact O-C 3.24Å; L195-L221 WeakPolarHBondContact O-CA 3.26Å; L195-L221 PolarHBondContact O-N 2.69Å; L195-W222 HydrophobicContact CB-CE3 4.42Å; L195-W222 HydrophobicContact CB-CH2 3.58Å; L195-W222 HydrophobicContact CB-CZ2 4.3Å; L195-W222 HydrophobicContact CB-CZ3 3.65Å; L195-W222 HydrophobicContact CD1-CH2 3.75Å; L195-W222 HydrophobicContact CD1-CZ2 4.47Å; L195-W222 HydrophobicContact CD1-CZ3 4.5Å; L195-W222 HydrophobicContact CG-CH2 4.32Å; L195-W222 PolarHBondContact O-N 3.04Å
196	T	97.8	Very high	98	Very high	66 Å²	66	35.8 Å²	35.8	41%	0.405	17%	0.171	S	C	.	.			trans	-102.3	-21.2	173.4	58.7	0	0	0	0	112.7	L221 N223	T196-L221 WeakPolarHBondContact CA-O 3.14Å; T196-L221 HydrophobicContact CG2-CB 3.95Å; T196-N223 PolarHBondContact O-N 3.1Å
197	Y	97.4	Very high	98	Very high	109 Å²	109	33.7 Å²	33.7	43%	0.427	16%	0.161	S	C	.	.			trans	-150.6	150.9	-173.4	177.8	-95.1	0	0	0	111.7	W200	Y197-W200 AromaticContact CD2-CD1 3.92Å; Y197-W200 AromaticContact CD2-NE1 3.57Å; Y197-W200 AromaticContact CE2-CD1 3.56Å; Y197-W200 AromaticContact CE2-NE1 3.73Å
198	I	97.1	Very high	97.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.182	C	C	.	.			trans	-140.9	150.5	166.5	-174.9	170	0	0	0	106	L174 F178 L190 W200 L203 I215 W222	L174-I198 HydrophobicContact CD1-CB 3.86Å; L174-I198 HydrophobicContact CD1-CD1 3.83Å; L174-I198 HydrophobicContact CD1-CG1 3.53Å; F178-I198 HydrophobicContact CD1-CG1 4.28Å; F178-I198 HydrophobicContact CE1-CD1 3.77Å; F178-I198 HydrophobicContact CE1-CG1 3.95Å; F178-I198 HydrophobicContact CZ-CD1 4.45Å; L190-I198 HydrophobicContact CD1-CD1 3.77Å; I198-W200 VanDerWaalsContact C-N 3.27Å; I198-W200 HydrophobicContact CG2-CD2 3.62Å; I198-W200 HydrophobicContact CG2-CE3 3.18Å; I198-W200 HydrophobicContact CG2-CH2 3.32Å; I198-W200 HydrophobicContact CG2-CZ2 3.76Å; I198-W200 HydrophobicContact CG2-CZ3 3.05Å; I198-W200 VanDerWaalsContact O-CG 3.31Å; I198-W200 PolarHBondContact O-N 2.88Å; I198-L203 HydrophobicContact CD1-CD2 4.25Å; I198-L203 HydrophobicContact CG2-CD2 4.2Å; I198-I215 HydrophobicContact CD1-CD1 4.26Å; I198-W222 HydrophobicContact CB-CH2 4.49Å; I198-W222 HydrophobicContact CB-CZ3 4.2Å; I198-W222 HydrophobicContact CG2-CH2 4.47Å; I198-W222 HydrophobicContact CG2-CZ3 4.13Å
199	P	97.2	Very high	97.8	Very high	16 Å²	16	41.1 Å²	41.1	10%	0.104	20%	0.198	C	C	.	.			trans	-57.4	85.5	174.3	20.9	-35.4	0	0	0	112.5	F178 K179 L182 K201 E202 L203	F178-P199 HydrophobicContact CD1-CG 4.12Å; K179-P199 HydrophobicContact CB-CG 4.39Å; L182-P199 HydrophobicContact CD1-CB 4.49Å; L182-P199 HydrophobicContact CD1-CG 3.74Å; P199-K201 VanDerWaalsContact C-N 3.3Å; P199-K201 PolarHBondContact O-N 3.37Å; P199-E202 HydrophobicContact CB-CB 4.33Å; P199-E202 VanDerWaalsContact CB-OE2 3.29Å; P199-E202 WeakPolarHBondContact CB-OE2 3.14Å; P199-E202 PolarHBondContact O-N 2.97Å; P199-L203 WeakPolarHBondContact O-CB 3.4Å; P199-L203 PolarHBondContact O-N 3.14Å
200	W	97.5	Very high	97.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-35.7	-169.8	-61.6	121.5	0	0	0	112.8	Y197 I198 L203 A204 L217 W222 S227 V228 L231 F245	Y197-W200 AromaticContact CD2-CD1 3.92Å; Y197-W200 AromaticContact CD2-NE1 3.57Å; Y197-W200 AromaticContact CE2-CD1 3.56Å; Y197-W200 AromaticContact CE2-NE1 3.73Å; I198-W200 VanDerWaalsContact C-N 3.27Å; I198-W200 HydrophobicContact CG2-CD2 3.62Å; I198-W200 HydrophobicContact CG2-CE3 3.18Å; I198-W200 HydrophobicContact CG2-CH2 3.32Å; I198-W200 HydrophobicContact CG2-CZ2 3.76Å; I198-W200 HydrophobicContact CG2-CZ3 3.05Å; I198-W200 VanDerWaalsContact O-CG 3.31Å; I198-W200 PolarHBondContact O-N 2.88Å; W200-L203 HydrophobicContact CE3-CD2 4.11Å; W200-L203 HydrophobicContact CZ3-CD2 4.24Å; W200-A204 VanDerWaalsContact O-CB 3.27Å; W200-A204 WeakPolarHBondContact O-CB 3.23Å; W200-A204 PolarHBondContact O-N 3.33Å; W200-L217 HydrophobicContact CZ3-CD1 4.21Å; W200-W222 AromaticContact CH2-CD2 3.83Å; W200-W222 HydrophobicContact CH2-CD2 3.83Å; W200-W222 AromaticContact CH2-CE3 3.5Å; W200-W222 HydrophobicContact CH2-CE3 3.5Å; W200-W222 HydrophobicContact CH2-CG 4.4Å; W200-W222 AromaticContact CH2-CZ3 3.88Å; W200-W222 HydrophobicContact CH2-CZ3 3.88Å; W200-W222 HydrophobicContact CZ2-CD2 4.26Å; W200-W222 AromaticContact CZ2-CE3 3.65Å; W200-W222 HydrophobicContact CZ2-CE3 3.65Å; W200-W222 HydrophobicContact CZ2-CZ3 4.19Å; W200-S227 VanDerWaalsContact CB-O 3.22Å; W200-S227 WeakPolarHBondContact CB-O 3.43Å; W200-S227 VanDerWaalsContact CD1-O 3.27Å; W200-S227 PolarHBondContact NE1-OG 2.8Å; W200-V228 HydrophobicContact CD2-CG2 4.37Å; W200-V228 HydrophobicContact CZ2-CG2 4.31Å; W200-L231 HydrophobicContact CD2-CD1 4.17Å; W200-L231 HydrophobicContact CE3-CD1 3.22Å; W200-L231 HydrophobicContact CE3-CG 3.95Å; W200-L231 HydrophobicContact CZ3-CD1 3.49Å; W200-L231 VanDerWaalsContact CZ3-CD1 3.49Å; W200-F245 HydrophobicContact CH2-CD2 4.23Å; W200-F245 AromaticContact CH2-CE2 3.5Å; W200-F245 HydrophobicContact CH2-CE2 3.5Å; W200-F245 VanDerWaalsContact CH2-CE2 3.5Å; W200-F245 HydrophobicContact CH2-CZ 4.46Å; W200-F245 HydrophobicContact CZ2-CE2 4.16Å; W200-F245 HydrophobicContact CZ3-CD2 4.44Å; W200-F245 AromaticContact CZ3-CE2 3.96Å; W200-F245 HydrophobicContact CZ3-CE2 3.96Å
201	K	97.4	Very high	97.5	Very high	127 Å²	127	53.5 Å²	53.5	55%	0.552	26%	0.26	S	S	*	.	H	α-helix	trans	-64.5	-53.4	178.1	-179.3	-177.2	174.4	-176.8	0	110.7	P199 L203 A204 E205 P230	P199-K201 VanDerWaalsContact C-N 3.3Å; P199-K201 PolarHBondContact O-N 3.37Å; K201-L203 VanDerWaalsContact C-N 3.28Å; K201-L203 PolarHBondContact O-N 2.91Å; K201-A204 WeakPolarHBondContact O-CB 3.5Å; K201-A204 PolarHBondContact O-N 3.4Å; K201-A204 VanDerWaalsContact O-N 3.14Å; K201-E205 WeakPolarHBondContact CE-OE1 3.41Å; K201-E205 WeakPolarHBondContact O-CG 3.18Å; K201-E205 PolarHBondContact O-N 2.92Å; K201-P230 HydrophobicContact CB-CG 4.26Å
202	E	98.1	Very high	97.5	Very high	60 Å²	60	53.2 Å²	53.2	28%	0.28	26%	0.258	S	S	.	.	H	α-helix	trans	-64.9	-34.8	179.2	-65.1	91.5	151.9	0	0	111.6	K179 L182 P199 R206	K179-E202 HydrophobicContact CB-CB 4.39Å; K179-E202 HydrophobicContact CB-CG 4.05Å; L182-E202 HydrophobicContact CD1-CB 4.04Å; P199-E202 HydrophobicContact CB-CB 4.33Å; P199-E202 VanDerWaalsContact CB-OE2 3.29Å; P199-E202 WeakPolarHBondContact CB-OE2 3.14Å; P199-E202 PolarHBondContact O-N 2.97Å; E202-R206 WeakPolarHBondContact O-CB 3.46Å; E202-R206 PolarHBondContact O-N 3.34Å
203	L	98.3	Very high	97.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-46.6	171.6	178.7	63.3	0	0	0	111.2	L182 I198 P199 W200 K201 E205 R206 I207 F212 I215 L231	L182-L203 HydrophobicContact CD1-CB 4.17Å; L182-L203 HydrophobicContact CD2-CD1 4.06Å; I198-L203 HydrophobicContact CD1-CD2 4.25Å; I198-L203 HydrophobicContact CG2-CD2 4.2Å; P199-L203 WeakPolarHBondContact O-CB 3.4Å; P199-L203 PolarHBondContact O-N 3.14Å; W200-L203 HydrophobicContact CE3-CD2 4.11Å; W200-L203 HydrophobicContact CZ3-CD2 4.24Å; K201-L203 VanDerWaalsContact C-N 3.28Å; K201-L203 PolarHBondContact O-N 2.91Å; L203-E205 VanDerWaalsContact C-N 3.35Å; L203-E205 PolarHBondContact O-N 3.13Å; L203-R206 PolarHBondContact O-N 2.98Å; L203-I207 HydrophobicContact CD1-CD1 3.77Å; L203-I207 HydrophobicContact CD1-CG1 3.95Å; L203-I207 HydrophobicContact CD2-CD1 4.25Å; L203-I207 HydrophobicContact CG-CD1 3.63Å; L203-I207 HydrophobicContact CG-CG1 4.23Å; L203-I207 WeakPolarHBondContact O-CB 3.46Å; L203-I207 WeakPolarHBondContact O-CG1 3.49Å; L203-I207 PolarHBondContact O-N 2.88Å; L203-F212 HydrophobicContact CD1-CZ 4.47Å; L203-I215 HydrophobicContact CD1-CD1 3.64Å; L203-I215 HydrophobicContact CD2-CD1 3.93Å; L203-I215 HydrophobicContact CG-CD1 4.46Å; L203-L231 HydrophobicContact CD2-CD1 4.5Å; L203-L231 HydrophobicContact CD2-CD2 4.25Å; L203-L231 HydrophobicContact CG-CD2 4.35Å
204	A	98.1	Very high	97.5	Very high	5 Å²	5	56.8 Å²	56.8	4%	0.041	28%	0.276	C	S	.	.	H	α-helix	trans	-61.8	-41.2	177.9	0	0	0	0	0	112.2	W200 K201 Q208 P230 L231 L234	W200-A204 VanDerWaalsContact O-CB 3.27Å; W200-A204 WeakPolarHBondContact O-CB 3.23Å; W200-A204 PolarHBondContact O-N 3.33Å; K201-A204 WeakPolarHBondContact O-CB 3.5Å; K201-A204 PolarHBondContact O-N 3.4Å; K201-A204 VanDerWaalsContact O-N 3.14Å; A204-Q208 WeakPolarHBondContact O-CG 3.43Å; A204-Q208 PolarHBondContact O-N 2.66Å; A204-Q208 PolarHBondContact O-NE2 2.81Å; A204-Q208 VanDerWaalsContact O-NE2 3.1Å; A204-P230 HydrophobicContact CB-CB 3.63Å; A204-L231 HydrophobicContact CB-CD2 3.99Å; A204-L234 HydrophobicContact CB-CD2 4.12Å
205	E	97.5	Very high	97.5	Very high	111 Å²	111	53.3 Å²	53.3	52%	0.519	26%	0.258	S	S	.	.	H	α-helix	trans	-61	-44.6	173.4	-72.5	173.1	-172.2	0	0	111.1	K201 L203	K201-E205 WeakPolarHBondContact CE-OE1 3.41Å; K201-E205 WeakPolarHBondContact O-CG 3.18Å; K201-E205 PolarHBondContact O-N 2.92Å; L203-E205 VanDerWaalsContact C-N 3.35Å; L203-E205 PolarHBondContact O-N 3.13Å
206	R	97.7	Very high	97.6	Very high	20 Å²	20	55.5 Å²	55.5	8%	0.075	27%	0.268	C	S	.	.	H	α-helix	trans	-67.3	-44.1	179.3	179.3	59.5	176.7	165.2	10.3	113.1	L182 T183 H184 L185 E202 L203 Q208 N209 F212	L182-R206 WeakPolarHBondContact O-CB 3.36Å; L182-R206 WeakPolarHBondContact O-CD 3.48Å; L182-R206 WeakPolarHBondContact O-CG 2.97Å; L182-R206 PolarHBondContact O-NE 3.31Å; T183-R206 PolarHBondContact O-NH1 3.06Å; H184-R206 PolarHBondContact O-NH2 3.48Å; L185-R206 VanDerWaalsContact O-CZ 3.23Å; L185-R206 PolarHBondContact O-NE 3.47Å; L185-R206 PolarHBondContact O-NH2 2.85Å; E202-R206 WeakPolarHBondContact O-CB 3.46Å; E202-R206 PolarHBondContact O-N 3.34Å; L203-R206 PolarHBondContact O-N 2.98Å; R206-Q208 PolarHBondContact O-N 3.32Å; R206-N209 WeakPolarHBondContact O-CB 3.36Å; R206-N209 PolarHBondContact O-N 3.1Å; R206-F212 HydrophobicContact CG-CD2 3.53Å; R206-F212 HydrophobicContact CG-CE2 3.89Å; R206-F212 HydrophobicContact CG-CG 4.39Å
207	I	98.1	Very high	97.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-32.2	-176.2	-73.4	170.8	0	0	0	111.9	L203 N209 F212 I215 L231 L234 A238 K241 I242	L203-I207 HydrophobicContact CD1-CD1 3.77Å; L203-I207 HydrophobicContact CD1-CG1 3.95Å; L203-I207 HydrophobicContact CD2-CD1 4.25Å; L203-I207 HydrophobicContact CG-CD1 3.63Å; L203-I207 HydrophobicContact CG-CG1 4.23Å; L203-I207 WeakPolarHBondContact O-CB 3.46Å; L203-I207 WeakPolarHBondContact O-CG1 3.49Å; L203-I207 PolarHBondContact O-N 2.88Å; I207-N209 PolarHBondContact O-N 3.3Å; I207-F212 HydrophobicContact CB-CD1 4.24Å; I207-F212 HydrophobicContact CB-CE1 4.47Å; I207-F212 HydrophobicContact CD1-CE1 4.48Å; I207-F212 HydrophobicContact CG1-CD1 3.83Å; I207-F212 HydrophobicContact CG1-CE1 3.58Å; I207-F212 HydrophobicContact CG1-CG 4.46Å; I207-F212 HydrophobicContact CG1-CZ 4Å; I207-F212 HydrophobicContact CG2-CD1 4.44Å; I207-I215 HydrophobicContact CD1-CG2 4.25Å; I207-L231 HydrophobicContact CD1-CD2 4.3Å; I207-L234 HydrophobicContact CD1-CD1 4.37Å; I207-L234 HydrophobicContact CG2-CD1 4.19Å; I207-A238 HydrophobicContact CG2-CB 3.91Å; I207-A238 WeakPolarHBondContact CG2-O 3.19Å; I207-K241 HydrophobicContact CG2-CB 4.27Å; I207-K241 HydrophobicContact CG2-CD 4.18Å; I207-K241 PolarHBondContact O-NZ 2.84Å; I207-I242 HydrophobicContact CD1-CD1 3.73Å; I207-I242 HydrophobicContact CD1-CG1 3.63Å
208	Q	96.6	Very high	97.6	Very high	108 Å²	108	47.8 Å²	47.8	51%	0.505	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-16	176.9	-71.5	177.5	88.4	0	0	113.5	A204 R206 L234 A238	A204-Q208 WeakPolarHBondContact O-CG 3.43Å; A204-Q208 PolarHBondContact O-N 2.66Å; A204-Q208 PolarHBondContact O-NE2 2.81Å; A204-Q208 VanDerWaalsContact O-NE2 3.1Å; R206-Q208 PolarHBondContact O-N 3.32Å; Q208-L234 HydrophobicContact CG-CD2 3.72Å; Q208-A238 HydrophobicContact CG-CB 4.4Å
209	N	96.4	Very high	97.7	Very high	63 Å²	63	54.9 Å²	54.9	34%	0.337	27%	0.266	S	S	.	.	S	Bend	trans	-71.1	136.6	173.3	-170	-67	0	0	0	110.8	R206 I207 Q211 F212 K241	R206-N209 WeakPolarHBondContact O-CB 3.36Å; R206-N209 PolarHBondContact O-N 3.1Å; I207-N209 PolarHBondContact O-N 3.3Å; N209-Q211 PolarHBondContact O-N 2.95Å; N209-Q211 VanDerWaalsContact OD1-CB 3.25Å; N209-Q211 WeakPolarHBondContact OD1-CB 3.31Å; N209-Q211 WeakPolarHBondContact OD1-CG 3.29Å; N209-Q211 PolarHBondContact OD1-N 2.97Å; N209-F212 WeakPolarHBondContact O-CB 3.45Å; N209-F212 PolarHBondContact O-N 3.25Å; N209-K241 PolarHBondContact O-NZ 2.85Å
210	D	94.9	Very high	97.7	Very high	154 Å²	154	54.9 Å²	54.9	82%	0.824	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.4	-179	-66	-28.3	0	0	0	113.7	F212	D210-F212 VanDerWaalsContact C-N 3.28Å
211	Q	96	Very high	97.8	Very high	118 Å²	118	57.5 Å²	57.5	55%	0.551	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-18	175.6	-57.8	-177.1	-52.8	0	0	112.6	E186 N209 L213	E186-Q211 WeakPolarHBondContact CG-O 3.16Å; N209-Q211 PolarHBondContact O-N 2.95Å; N209-Q211 VanDerWaalsContact OD1-CB 3.25Å; N209-Q211 WeakPolarHBondContact OD1-CB 3.31Å; N209-Q211 WeakPolarHBondContact OD1-CG 3.29Å; N209-Q211 PolarHBondContact OD1-N 2.97Å; Q211-L213 PolarHBondContact O-N 3.44Å
212	F	98.4	Very high	97.8	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.009	25%	0.253	C	S	.	.			trans	-71.2	125.6	176.8	-164.4	-94.1	0	0	0	110.3	L185 I188 L203 R206 I207 N209 D210 K214 I215 K241	L185-F212 VanDerWaalsContact O-CD2 3.28Å; L185-F212 WeakPolarHBondContact O-CD2 3.23Å; I188-F212 HydrophobicContact CD1-CE2 3.9Å; I188-F212 HydrophobicContact CD1-CZ 4.1Å; I188-F212 HydrophobicContact CG1-CE2 4.37Å; I188-F212 HydrophobicContact CG1-CZ 4.46Å; L203-F212 HydrophobicContact CD1-CZ 4.47Å; R206-F212 HydrophobicContact CG-CD2 3.53Å; R206-F212 HydrophobicContact CG-CE2 3.89Å; R206-F212 HydrophobicContact CG-CG 4.39Å; I207-F212 HydrophobicContact CB-CD1 4.24Å; I207-F212 HydrophobicContact CB-CE1 4.47Å; I207-F212 HydrophobicContact CD1-CE1 4.48Å; I207-F212 HydrophobicContact CG1-CD1 3.83Å; I207-F212 HydrophobicContact CG1-CE1 3.58Å; I207-F212 HydrophobicContact CG1-CG 4.46Å; I207-F212 HydrophobicContact CG1-CZ 4Å; I207-F212 HydrophobicContact CG2-CD1 4.44Å; N209-F212 WeakPolarHBondContact O-CB 3.45Å; N209-F212 PolarHBondContact O-N 3.25Å; D210-F212 VanDerWaalsContact C-N 3.28Å; F212-K214 VanDerWaalsContact CE1-C 3.49Å; F212-I215 HydrophobicContact CE1-CB 4.24Å; F212-I215 HydrophobicContact CE1-CG2 4.37Å; F212-I215 HydrophobicContact CZ-CB 4.01Å; F212-I215 HydrophobicContact CZ-CG2 4.48Å; F212-K241 HydrophobicContact CD1-CB 4.36Å; F212-K241 HydrophobicContact CD1-CD 3.95Å; F212-K241 WeakPolarHBondContact O-CD 3.3Å; F212-K241 WeakPolarHBondContact O-CE 3.21Å; F212-K241 PolarHBondContact O-NZ 3.34Å
213	L	98.3	Very high	97.8	Very high	95 Å²	95	51.1 Å²	51.1	50%	0.497	25%	0.252	S	S	.	.			trans	-94	-61.2	-174.7	-55.5	178.6	0	0	0	111.1	E186 D187 Q211	E186-L213 HydrophobicContact CB-CD1 4.44Å; E186-L213 HydrophobicContact CB-CG 4.26Å; E186-L213 WeakPolarHBondContact O-CA 3.36Å; E186-L213 VanDerWaalsContact O-CB 3.32Å; E186-L213 WeakPolarHBondContact O-CB 3.4Å; E186-L213 PolarHBondContact O-N 3.18Å; D187-L213 HydrophobicContact CB-CD1 4.42Å; Q211-L213 PolarHBondContact O-N 3.44Å
214	K	98.5	Very high	97.8	Very high	65 Å²	65	51.1 Å²	51.1	28%	0.283	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	158.6	-176.2	63.4	-179.8	-177.4	175.9	0	113.5	E186 D187 I188 F212 K241 Y243	E186-K214 PolarHBondContact O-N 2.57Å; D187-K214 VanDerWaalsContact CG-CE 3.43Å; D187-K214 WeakPolarHBondContact OD1-CE 3.4Å; D187-K214 VanDerWaalsContact OD1-CG 3.24Å; D187-K214 WeakPolarHBondContact OD1-CG 3.29Å; D187-K214 VanDerWaalsContact OD2-CE 3.27Å; D187-K214 WeakPolarHBondContact OD2-CE 3.46Å; I188-K214 PolarHBondContact N-O 3.35Å; F212-K214 VanDerWaalsContact CE1-C 3.49Å; K214-K241 CarbonylContact C-O 3.23Å; K214-K241 VanDerWaalsContact CA-O 3.32Å; K214-K241 WeakPolarHBondContact CA-O 3.39Å; K214-Y243 HydrophobicContact CB-CD2 3.89Å; K214-Y243 HydrophobicContact CB-CE2 3.54Å; K214-Y243 HydrophobicContact CD-CE2 4.37Å
215	I	98.8	Very high	97.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.7	165.3	-171.1	162.5	0	0	0	111.2	I188 I198 L203 I207 F212 L217 K241 I242 Y243	I188-I215 HydrophobicContact CB-CB 4.3Å; I188-I215 HydrophobicContact CB-CD1 4.11Å; I188-I215 HydrophobicContact CB-CG1 3.87Å; I188-I215 HydrophobicContact CD1-CD1 4.26Å; I188-I215 HydrophobicContact CG2-CD1 3.92Å; I188-I215 HydrophobicContact CG2-CG1 3.93Å; I188-I215 CarbonylContact O-C 3.55Å; I188-I215 VanDerWaalsContact O-CA 3.24Å; I188-I215 WeakPolarHBondContact O-CA 3.49Å; I198-I215 HydrophobicContact CD1-CD1 4.26Å; L203-I215 HydrophobicContact CD1-CD1 3.64Å; L203-I215 HydrophobicContact CD2-CD1 3.93Å; L203-I215 HydrophobicContact CG-CD1 4.46Å; I207-I215 HydrophobicContact CD1-CG2 4.25Å; F212-I215 HydrophobicContact CE1-CB 4.24Å; F212-I215 HydrophobicContact CE1-CG2 4.37Å; F212-I215 HydrophobicContact CZ-CB 4.01Å; F212-I215 HydrophobicContact CZ-CG2 4.48Å; I215-L217 HydrophobicContact CD1-CD1 4.49Å; I215-L217 HydrophobicContact CD1-CD2 3.65Å; I215-L217 HydrophobicContact CD1-CG 4.24Å; I215-L217 HydrophobicContact CG1-CD2 3.63Å; I215-L217 HydrophobicContact CG1-CG 3.9Å; I215-K241 PolarHBondContact N-O 3.4Å; I215-I242 HydrophobicContact CG2-CB 4.17Å; I215-I242 HydrophobicContact CG2-CG1 3.88Å; I215-I242 HydrophobicContact CG2-CG2 4.18Å; I215-Y243 WeakPolarHBondContact O-CB 3.22Å; I215-Y243 PolarHBondContact O-N 3.02Å
216	Q	98.8	Very high	97.7	Very high	47 Å²	47	50.9 Å²	50.9	22%	0.22	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121.7	173.8	-56.1	-173.8	-94.4	0	0	110.1	I188 N189 L190	I188-Q216 PolarHBondContact O-N 3.36Å; N189-Q216 HydrophobicContact CB-CB 4.18Å; N189-Q216 PolarHBondContact ND2-OE1 3.29Å; L190-Q216 PolarHBondContact N-O 2.89Å
217	L	98.5	Very high	97.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.267	C	S	.	.			trans	-123	10.4	-172.2	-62	-179.8	0	0	0	113.4	W200 I215 N220 W222 I242 Y243 F245	W200-L217 HydrophobicContact CZ3-CD1 4.21Å; I215-L217 HydrophobicContact CD1-CD1 4.49Å; I215-L217 HydrophobicContact CD1-CD2 3.65Å; I215-L217 HydrophobicContact CD1-CG 4.24Å; I215-L217 HydrophobicContact CG1-CD2 3.63Å; I215-L217 HydrophobicContact CG1-CG 3.9Å; L217-N220 PolarHBondContact O-ND2 2.96Å; L217-W222 HydrophobicContact CB-CZ2 3.98Å; L217-W222 HydrophobicContact CD2-CH2 4.12Å; L217-W222 HydrophobicContact CD2-CZ2 3.63Å; L217-W222 HydrophobicContact CG-CZ2 4.27Å; L217-W222 PolarHBondContact O-NE1 2.91Å; L217-I242 HydrophobicContact CD1-CG2 3.95Å; L217-Y243 PolarHBondContact N-O 2.81Å; L217-F245 HydrophobicContact CD1-CD2 3.87Å
218	S	98.2	Very high	97.6	Very high	13 Å²	13	51.8 Å²	51.8	9%	0.091	27%	0.267	C	S	.	.			trans	-56.8	154.2	-178.3	19.8	0	0	0	0	113.5	S191 E192 N220 E244	S191-S218 CarbonylContact C-O 3.6Å; S191-S218 WeakPolarHBondContact CA-O 3.27Å; S191-S218 WeakPolarHBondContact CB-OG 3.47Å; E192-S218 PolarHBondContact N-O 2.92Å; S218-N220 PolarHBondContact O-N 2.82Å; S218-N220 PolarHBondContact O-ND2 3.13Å; S218-E244 WeakPolarHBondContact CA-O 3.33Å; S218-E244 WeakPolarHBondContact CB-OE2 3.45Å; S218-E244 PolarHBondContact OG-OE2 2.83Å
219	E	98	Very high	97.6	Very high	149 Å²	149	49.1 Å²	49.1	70%	0.696	25%	0.254	S	S	*	.	S	Bend	trans	53	57	169.7	-56.8	-61.1	160.7	0	0	112.8	E192 N193	E192-E219 CarbonylContact C-O 3.24Å; E192-E219 WeakPolarHBondContact CA-O 3.29Å; E192-E219 HydrophobicContact CB-CB 4.25Å; E192-E219 HydrophobicContact CG-CB 3.79Å; E192-E219 HydrophobicContact CG-CG 4.09Å; E192-E219 PolarHBondContact N-O 2.82Å; N193-E219 PolarHBondContact N-O 2.98Å; N193-E219 VanDerWaalsContact O-O 3.13Å
220	N	98.5	Very high	97.7	Very high	15 Å²	15	47.9 Å²	47.9	8%	0.08	25%	0.249	C	C	.	.	S	Bend	trans	-133.1	176.8	174.3	-86	-79.5	0	0	0	109.7	L190 N193 L195 L217 S218 W222	L190-N220 PolarHBondContact O-ND2 3.43Å; N193-N220 WeakPolarHBondContact CA-OD1 3.33Å; N193-N220 VanDerWaalsContact CB-OD1 3.22Å; N193-N220 WeakPolarHBondContact CB-OD1 3.09Å; N193-N220 PolarHBondContact O-OD1 2.77Å; L195-N220 VanDerWaalsContact CB-OD1 3.29Å; L195-N220 WeakPolarHBondContact CB-OD1 3.47Å; L195-N220 PolarHBondContact N-OD1 3.39Å; L217-N220 PolarHBondContact O-ND2 2.96Å; S218-N220 PolarHBondContact O-N 2.82Å; S218-N220 PolarHBondContact O-ND2 3.13Å; N220-W222 HydrophobicContact CB-CD2 4.04Å; N220-W222 VanDerWaalsContact CB-CE2 3.43Å; N220-W222 HydrophobicContact CB-CG 4.3Å; N220-W222 HydrophobicContact CB-CZ2 3.69Å
221	L	98.2	Very high	97.8	Very high	56 Å²	56	40.6 Å²	40.6	29%	0.293	21%	0.21	S	C	.	.			trans	-104.1	40.1	-175.7	-56.3	178.3	0	0	0	112	L194 L195 T196 N223 H248	L194-L221 HydrophobicContact CB-CD1 4.29Å; L194-L221 HydrophobicContact CD2-CD1 4.13Å; L195-L221 CarbonylContact O-C 3.6Å; L195-L221 VanDerWaalsContact O-C 3.24Å; L195-L221 WeakPolarHBondContact O-CA 3.26Å; L195-L221 PolarHBondContact O-N 2.69Å; T196-L221 WeakPolarHBondContact CA-O 3.14Å; T196-L221 HydrophobicContact CG2-CB 3.95Å; L221-N223 PolarHBondContact O-N 3.16Å; L221-H248 HydrophobicContact CB-CB 4.36Å
222	W	98.4	Very high	97.9	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	19%	0.188	C	C	.	.			trans	-54.5	127.6	-170.7	-59.3	120.5	0	0	0	113.6	L195 I198 W200 L217 N220 F245 H248 T249	L195-W222 HydrophobicContact CB-CE3 4.42Å; L195-W222 HydrophobicContact CB-CH2 3.58Å; L195-W222 HydrophobicContact CB-CZ2 4.3Å; L195-W222 HydrophobicContact CB-CZ3 3.65Å; L195-W222 HydrophobicContact CD1-CH2 3.75Å; L195-W222 HydrophobicContact CD1-CZ2 4.47Å; L195-W222 HydrophobicContact CD1-CZ3 4.5Å; L195-W222 HydrophobicContact CG-CH2 4.32Å; L195-W222 PolarHBondContact O-N 3.04Å; I198-W222 HydrophobicContact CB-CH2 4.49Å; I198-W222 HydrophobicContact CB-CZ3 4.2Å; I198-W222 HydrophobicContact CG2-CH2 4.47Å; I198-W222 HydrophobicContact CG2-CZ3 4.13Å; W200-W222 AromaticContact CH2-CD2 3.83Å; W200-W222 HydrophobicContact CH2-CD2 3.83Å; W200-W222 AromaticContact CH2-CE3 3.5Å; W200-W222 HydrophobicContact CH2-CE3 3.5Å; W200-W222 HydrophobicContact CH2-CG 4.4Å; W200-W222 AromaticContact CH2-CZ3 3.88Å; W200-W222 HydrophobicContact CH2-CZ3 3.88Å; W200-W222 HydrophobicContact CZ2-CD2 4.26Å; W200-W222 AromaticContact CZ2-CE3 3.65Å; W200-W222 HydrophobicContact CZ2-CE3 3.65Å; W200-W222 HydrophobicContact CZ2-CZ3 4.19Å; L217-W222 HydrophobicContact CB-CZ2 3.98Å; L217-W222 HydrophobicContact CD2-CH2 4.12Å; L217-W222 HydrophobicContact CD2-CZ2 3.63Å; L217-W222 HydrophobicContact CG-CZ2 4.27Å; L217-W222 PolarHBondContact O-NE1 2.91Å; N220-W222 HydrophobicContact CB-CD2 4.04Å; N220-W222 VanDerWaalsContact CB-CE2 3.43Å; N220-W222 HydrophobicContact CB-CG 4.3Å; N220-W222 HydrophobicContact CB-CZ2 3.69Å; W222-F245 HydrophobicContact CB-CE2 4Å; W222-F245 HydrophobicContact CB-CZ 4.22Å; W222-F245 AromaticContact CD1-CD2 3.92Å; W222-F245 AromaticContact CD1-CE2 3.93Å; W222-F245 HydrophobicContact CD2-CE2 4.37Å; W222-F245 HydrophobicContact CG-CD2 4.25Å; W222-F245 AromaticContact CG-CE2 3.82Å; W222-F245 HydrophobicContact CG-CE2 3.82Å; W222-F245 HydrophobicContact CG-CZ 4.5Å; W222-H248 PolarHBondContact O-N 3.14Å; W222-T249 PolarHBondContact O-N 2.91Å
223	N	97.9	Very high	97.8	Very high	51 Å²	51	41.5 Å²	41.5	27%	0.273	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-88.4	109.5	171.2	-170.3	39.2	0	0	0	110.5	T196 L221 D225 T249	T196-N223 PolarHBondContact O-N 3.1Å; L221-N223 PolarHBondContact O-N 3.16Å; N223-D225 VanDerWaalsContact C-N 3.29Å; N223-D225 PolarHBondContact ND2-OD2 2.95Å; N223-D225 PolarHBondContact O-N 3.1Å; N223-D225 VanDerWaalsContact O-N 3.15Å; N223-T249 WeakPolarHBondContact CA-OG1 3.47Å; N223-T249 WeakPolarHBondContact CB-OG1 3.29Å; N223-T249 WeakPolarHBondContact OD1-CB 3.41Å; N223-T249 PolarHBondContact OD1-OG1 3.35Å
224	C	97.7	Very high	97.8	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.007	20%	0.195	C	C	.	.			trans	-87.1	64.1	177.1	-68.2	0	0	0	0	111.7	F245 C247 T249 P250 L253 L261 V266	C224-F245 VanDerWaalsContact SG-CZ 3.55Å; C224-C247 HydrophobicContact CB-CB 3.79Å; C224-C247 WeakPolarHBondContact CB-SG 3.33Å; C224-C247 WeakPolarHBondContact SG-CA 3.39Å; C224-C247 WeakPolarHBondContact SG-CB 3.19Å; C224-C247 CovalentContact SG-SG 2.02Å; C224-C247 PolarHBondContact SG-SG 3.27Å; C224-T249 PolarHBondContact N-O 3.36Å; C224-P250 WeakPolarHBondContact O-CD 3.34Å; C224-L253 HydrophobicContact CB-CD1 3.97Å; C224-L253 WeakPolarHBondContact O-CD1 3.29Å; C224-L261 HydrophobicContact CB-CD1 4.49Å; C224-V266 HydrophobicContact CB-CG1 4.44Å
225	D	95.9	Very high	97.6	Very high	61 Å²	61	41.3 Å²	41.3	33%	0.326	21%	0.21	S	C	.	.	S	Bend	trans	-89.2	-174.6	167.1	64	29	0	0	0	111	N223 S227 V228	N223-D225 VanDerWaalsContact C-N 3.29Å; N223-D225 PolarHBondContact ND2-OD2 2.95Å; N223-D225 PolarHBondContact O-N 3.1Å; N223-D225 VanDerWaalsContact O-N 3.15Å; D225-S227 PolarHBondContact O-N 3.35Å; D225-S227 WeakPolarHBondContact OD1-CA 3.49Å; D225-S227 WeakPolarHBondContact OD1-CB 3.22Å; D225-S227 PolarHBondContact OD1-N 3.47Å; D225-S227 PolarHBondContact OD1-OG 3.31Å; D225-V228 PolarHBondContact O-N 2.81Å; D225-V228 VanDerWaalsContact O-N 3.07Å
226	C	97.1	Very high	97.5	Very high	50 Å²	50	46 Å²	46	34%	0.338	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-59.5	-17.3	-178.2	-167.1	0	0	0	0	113.7	V228 K229 V266 C267	C226-V228 PolarHBondContact O-N 3.2Å; C226-K229 WeakPolarHBondContact O-CB 3.3Å; C226-K229 PolarHBondContact O-N 2.88Å; C226-K229 VanDerWaalsContact O-N 3.16Å; C226-V266 PolarHBondContact N-O 3.03Å; C226-C267 WeakPolarHBondContact CA-SG 3.32Å; C226-C267 HydrophobicContact CB-CB 3.9Å; C226-C267 WeakPolarHBondContact CB-SG 3.29Å; C226-C267 WeakPolarHBondContact SG-CB 3.36Å; C226-C267 CovalentContact SG-SG 2.05Å; C226-C267 PolarHBondContact SG-SG 3.05Å
227	S	96.4	Very high	97.3	Very high	39 Å²	39	50.2 Å²	50.2	27%	0.273	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-66.4	-17.7	176.2	75.1	0	0	0	0	113.6	W200 D225 K229 P230	W200-S227 VanDerWaalsContact CB-O 3.22Å; W200-S227 WeakPolarHBondContact CB-O 3.43Å; W200-S227 VanDerWaalsContact CD1-O 3.27Å; W200-S227 PolarHBondContact NE1-OG 2.8Å; D225-S227 PolarHBondContact O-N 3.35Å; D225-S227 WeakPolarHBondContact OD1-CA 3.49Å; D225-S227 WeakPolarHBondContact OD1-CB 3.22Å; D225-S227 PolarHBondContact OD1-N 3.47Å; D225-S227 PolarHBondContact OD1-OG 3.31Å; S227-K229 VanDerWaalsContact C-N 3.29Å; S227-P230 WeakPolarHBondContact O-CD 3.16Å
228	V	97.4	Very high	97.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-77.6	-13	176.2	-177.4	0	0	0	0	112.6	W200 D225 C226 P230 L231 I232 F245 L258 L261	W200-V228 HydrophobicContact CD2-CG2 4.37Å; W200-V228 HydrophobicContact CZ2-CG2 4.31Å; D225-V228 PolarHBondContact O-N 2.81Å; D225-V228 VanDerWaalsContact O-N 3.07Å; C226-V228 PolarHBondContact O-N 3.2Å; V228-P230 VanDerWaalsContact C-N 3.32Å; V228-P230 VanDerWaalsContact O-N 3.11Å; V228-L231 HydrophobicContact CG1-CB 4.32Å; V228-L231 WeakPolarHBondContact O-CB 3.33Å; V228-L231 PolarHBondContact O-N 3.39Å; V228-I232 HydrophobicContact CG1-CG1 4.32Å; V228-I232 PolarHBondContact O-N 3.44Å; V228-F245 HydrophobicContact CG1-CZ 4.24Å; V228-L258 HydrophobicContact CG1-CD1 4.07Å; V228-L261 HydrophobicContact CG1-CD1 4.45Å
229	K	97.6	Very high	97.2	Very high	52 Å²	52	51.9 Å²	51.9	23%	0.226	27%	0.268	C	S	.	.	H	α-helix	trans	-43	-46	179.8	176.3	176.9	-177.9	172.4	0	114.4	C226 S227 L231 I232 E233 V263 E270	C226-K229 WeakPolarHBondContact O-CB 3.3Å; C226-K229 PolarHBondContact O-N 2.88Å; C226-K229 VanDerWaalsContact O-N 3.16Å; S227-K229 VanDerWaalsContact C-N 3.29Å; K229-L231 PolarHBondContact O-N 3.34Å; K229-L231 VanDerWaalsContact O-N 3.16Å; K229-I232 WeakPolarHBondContact O-CB 3.37Å; K229-I232 PolarHBondContact O-N 2.94Å; K229-E233 WeakPolarHBondContact CE-OE1 3.18Å; K229-E233 HydrophobicContact CG-CG 4.32Å; K229-E233 WeakPolarHBondContact CG-OE1 3.34Å; K229-E233 WeakPolarHBondContact O-CG 3.48Å; K229-E233 PolarHBondContact O-N 3.45Å; K229-E233 VanDerWaalsContact O-N 3.11Å; K229-V263 HydrophobicContact CD-CG1 4.06Å; K229-V263 HydrophobicContact CG-CG1 4.31Å; K229-V263 HydrophobicContact CG-CG2 4.28Å; K229-E270 IonicContact NZ-OE1 2.88Å; K229-E270 IonicContact NZ-OE2 3.7Å; K229-E270 PolarHBondContact NZ-OE2 2.87Å
230	P	97.8	Very high	97.1	Very high	37 Å²	37	48 Å²	48	24%	0.24	26%	0.261	C	S	.	.	H	α-helix	trans	-58.8	-30.6	178.8	-25.1	36.4	0	0	0	114.3	K201 A204 S227 V228 L234	K201-P230 HydrophobicContact CB-CG 4.26Å; A204-P230 HydrophobicContact CB-CB 3.63Å; S227-P230 WeakPolarHBondContact O-CD 3.16Å; V228-P230 VanDerWaalsContact C-N 3.32Å; V228-P230 VanDerWaalsContact O-N 3.11Å; P230-L234 WeakPolarHBondContact O-CG 3.1Å
231	L	97.9	Very high	97.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-77.6	-33.3	175.6	-64.5	-167.8	0	0	0	112.7	W200 L203 A204 I207 V228 K229 E233 L234 I242 L258	W200-L231 HydrophobicContact CD2-CD1 4.17Å; W200-L231 HydrophobicContact CE3-CD1 3.22Å; W200-L231 HydrophobicContact CE3-CG 3.95Å; W200-L231 HydrophobicContact CZ3-CD1 3.49Å; W200-L231 VanDerWaalsContact CZ3-CD1 3.49Å; L203-L231 HydrophobicContact CD2-CD1 4.5Å; L203-L231 HydrophobicContact CD2-CD2 4.25Å; L203-L231 HydrophobicContact CG-CD2 4.35Å; A204-L231 HydrophobicContact CB-CD2 3.99Å; I207-L231 HydrophobicContact CD1-CD2 4.3Å; V228-L231 HydrophobicContact CG1-CB 4.32Å; V228-L231 WeakPolarHBondContact O-CB 3.33Å; V228-L231 PolarHBondContact O-N 3.39Å; K229-L231 PolarHBondContact O-N 3.34Å; K229-L231 VanDerWaalsContact O-N 3.16Å; L231-E233 VanDerWaalsContact C-N 3.3Å; L231-L234 HydrophobicContact CD2-CD1 3.92Å; L231-L234 PolarHBondContact O-N 3.41Å; L231-I242 HydrophobicContact CD1-CD1 4.29Å; L231-I242 HydrophobicContact CD2-CD1 3.99Å; L231-L258 HydrophobicContact CB-CD1 3.86Å; L231-L258 HydrophobicContact CB-CD2 4.11Å; L231-L258 HydrophobicContact CD1-CD2 4.4Å
232	I	97.5	Very high	97.1	Very high	18 Å²	18	47.4 Å²	47.4	9%	0.092	26%	0.256	C	S	.	.	H	α-helix	trans	-64.8	-41	178.3	-64.2	174.9	0	0	0	109.8	V228 K229 L234 K239 L258 L261 V263 V266	V228-I232 HydrophobicContact CG1-CG1 4.32Å; V228-I232 PolarHBondContact O-N 3.44Å; K229-I232 WeakPolarHBondContact O-CB 3.37Å; K229-I232 PolarHBondContact O-N 2.94Å; I232-L234 VanDerWaalsContact C-N 3.3Å; I232-L234 PolarHBondContact O-N 2.87Å; I232-K239 PolarHBondContact O-NZ 2.86Å; I232-L258 HydrophobicContact CG1-CD1 4.17Å; I232-L261 HydrophobicContact CD1-CB 3.75Å; I232-L261 HydrophobicContact CD1-CD1 4.47Å; I232-L261 HydrophobicContact CG1-CB 4.08Å; I232-L261 WeakPolarHBondContact CG2-O 3.3Å; I232-V263 HydrophobicContact CG2-CG2 4.2Å; I232-V266 HydrophobicContact CD1-CB 4.48Å; I232-V266 HydrophobicContact CD1-CG1 3.99Å; I232-V266 HydrophobicContact CD1-CG2 3.61Å
233	E	97	Very high	97.1	Very high	121 Å²	121	52.7 Å²	52.7	57%	0.565	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-3	-176.8	-66.5	175.6	163.2	0	0	114.6	K229 L231 V263	K229-E233 WeakPolarHBondContact CE-OE1 3.18Å; K229-E233 HydrophobicContact CG-CG 4.32Å; K229-E233 WeakPolarHBondContact CG-OE1 3.34Å; K229-E233 WeakPolarHBondContact O-CG 3.48Å; K229-E233 PolarHBondContact O-N 3.45Å; K229-E233 VanDerWaalsContact O-N 3.11Å; L231-E233 VanDerWaalsContact C-N 3.3Å; E233-V263 HydrophobicContact CG-CG2 4.3Å
234	L	97.4	Very high	97	Very high	15 Å²	15	56.1 Å²	56.1	8%	0.079	29%	0.291	C	S	.	.	S	Bend	trans	-60.6	145.2	175.9	-73.4	173.7	0	0	0	112	A204 I207 Q208 P230 L231 I232 A238 K239 I242	A204-L234 HydrophobicContact CB-CD2 4.12Å; I207-L234 HydrophobicContact CD1-CD1 4.37Å; I207-L234 HydrophobicContact CG2-CD1 4.19Å; Q208-L234 HydrophobicContact CG-CD2 3.72Å; P230-L234 WeakPolarHBondContact O-CG 3.1Å; L231-L234 HydrophobicContact CD2-CD1 3.92Å; L231-L234 PolarHBondContact O-N 3.41Å; I232-L234 VanDerWaalsContact C-N 3.3Å; I232-L234 PolarHBondContact O-N 2.87Å; L234-A238 HydrophobicContact CB-CB 4.24Å; L234-A238 HydrophobicContact CD2-CB 4.15Å; L234-K239 HydrophobicContact CB-CB 4.26Å; L234-I242 HydrophobicContact CD1-CD1 3.77Å
235	K	95.9	Very high	97.1	Very high	141 Å²	141	56.4 Å²	56.4	61%	0.613	29%	0.292	S	S	*	.			trans	-57.8	148.9	167.8	-64	-178.4	-178.2	175.8	0	110.7	E237 A238 K239	K235-E237 VanDerWaalsContact C-N 3.26Å; K235-E237 PolarHBondContact O-N 2.89Å; K235-E237 VanDerWaalsContact O-N 3.14Å; K235-A238 WeakPolarHBondContact O-CB 3.32Å; K235-A238 PolarHBondContact O-N 3.25Å; K235-K239 PolarHBondContact O-N 3.47Å
236	P	95.1	Very high	97.2	Very high	100 Å²	100	59 Å²	59	65%	0.649	30%	0.298	S	S	*	.	H	α-helix	trans	-51.8	-39.7	-177.4	-28.7	36.2	0	0	0	114.5	K239 A240	P236-K239 PolarHBondContact O-N 3.22Å; P236-A240 WeakPolarHBondContact O-CB 3.35Å; P236-A240 PolarHBondContact O-N 3.45Å
237	E	95.4	Very high	97.2	Very high	134 Å²	134	56.9 Å²	56.9	63%	0.626	28%	0.283	S	S	*	.	H	α-helix	trans	-67.5	-38.4	-179.3	-54.8	75.7	-162.9	0	0	112.1	K235	K235-E237 VanDerWaalsContact C-N 3.26Å; K235-E237 PolarHBondContact O-N 2.89Å; K235-E237 VanDerWaalsContact O-N 3.14Å
238	A	97.1	Very high	97.3	Very high	8 Å²	8	58.6 Å²	58.6	7%	0.066	29%	0.286	C	S	.	.	H	α-helix	trans	-69.7	-44	174.8	0	0	0	0	0	110.6	I207 Q208 L234 K235 A240 K241	I207-A238 HydrophobicContact CG2-CB 3.91Å; I207-A238 WeakPolarHBondContact CG2-O 3.19Å; Q208-A238 HydrophobicContact CG-CB 4.4Å; L234-A238 HydrophobicContact CB-CB 4.24Å; L234-A238 HydrophobicContact CD2-CB 4.15Å; K235-A238 WeakPolarHBondContact O-CB 3.32Å; K235-A238 PolarHBondContact O-N 3.25Å; A238-A240 VanDerWaalsContact C-N 3.28Å; A238-A240 PolarHBondContact O-N 2.77Å; A238-K241 WeakPolarHBondContact O-CB 3.34Å; A238-K241 PolarHBondContact O-N 2.85Å; A238-K241 VanDerWaalsContact O-N 3.1Å
239	K	96.8	Very high	97.3	Very high	41 Å²	41	60.9 Å²	60.9	18%	0.178	30%	0.301	C	S	.	.	H	α-helix	trans	-61.4	-35.4	178.6	-156.6	169.1	-160.6	169.3	0	112.2	I232 L234 K235 P236 K241 I242 L258	I232-K239 PolarHBondContact O-NZ 2.86Å; L234-K239 HydrophobicContact CB-CB 4.26Å; K235-K239 PolarHBondContact O-N 3.47Å; P236-K239 PolarHBondContact O-N 3.22Å; K239-K241 PolarHBondContact O-N 3.09Å; K239-K241 VanDerWaalsContact O-N 3.16Å; K239-I242 WeakPolarHBondContact O-CB 3.43Å; K239-I242 PolarHBondContact O-N 2.94Å; K239-L258 WeakPolarHBondContact CE-O 3.47Å; K239-L258 HydrophobicContact CG-CD2 4.1Å; K239-L258 PolarHBondContact NZ-O 2.65Å
240	A	96.7	Very high	97.3	Very high	66 Å²	66	60.6 Å²	60.6	55%	0.545	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.7	176.3	0	0	0	0	0	114.5	P236 A238 I242	P236-A240 WeakPolarHBondContact O-CB 3.35Å; P236-A240 PolarHBondContact O-N 3.45Å; A238-A240 VanDerWaalsContact C-N 3.28Å; A238-A240 PolarHBondContact O-N 2.77Å; A240-I242 VanDerWaalsContact C-N 3.27Å
241	K	98	Very high	97.2	Very high	39 Å²	39	65.2 Å²	65.2	17%	0.17	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-8.1	174.3	-54.4	-177.1	-173.7	179.3	0	112.9	I207 N209 F212 K214 I215 A238 K239 Y243	I207-K241 HydrophobicContact CG2-CB 4.27Å; I207-K241 HydrophobicContact CG2-CD 4.18Å; I207-K241 PolarHBondContact O-NZ 2.84Å; N209-K241 PolarHBondContact O-NZ 2.85Å; F212-K241 HydrophobicContact CD1-CB 4.36Å; F212-K241 HydrophobicContact CD1-CD 3.95Å; F212-K241 WeakPolarHBondContact O-CD 3.3Å; F212-K241 WeakPolarHBondContact O-CE 3.21Å; F212-K241 PolarHBondContact O-NZ 3.34Å; K214-K241 CarbonylContact C-O 3.23Å; K214-K241 VanDerWaalsContact CA-O 3.32Å; K214-K241 WeakPolarHBondContact CA-O 3.39Å; I215-K241 PolarHBondContact N-O 3.4Å; A238-K241 WeakPolarHBondContact O-CB 3.34Å; A238-K241 PolarHBondContact O-N 2.85Å; A238-K241 VanDerWaalsContact O-N 3.1Å; K239-K241 PolarHBondContact O-N 3.09Å; K239-K241 VanDerWaalsContact O-N 3.16Å; K241-Y243 VanDerWaalsContact O-CD2 3.31Å; K241-Y243 WeakPolarHBondContact O-CD2 3.36Å
242	I	98.3	Very high	97	Very high	20 Å²	20	69.3 Å²	69.3	10%	0.103	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	115.7	-180	-55.4	169.8	0	0	0	109.1	I207 I215 L217 L231 L234 K239 A240 F245 L258	I207-I242 HydrophobicContact CD1-CD1 3.73Å; I207-I242 HydrophobicContact CD1-CG1 3.63Å; I215-I242 HydrophobicContact CG2-CB 4.17Å; I215-I242 HydrophobicContact CG2-CG1 3.88Å; I215-I242 HydrophobicContact CG2-CG2 4.18Å; L217-I242 HydrophobicContact CD1-CG2 3.95Å; L231-I242 HydrophobicContact CD1-CD1 4.29Å; L231-I242 HydrophobicContact CD2-CD1 3.99Å; L234-I242 HydrophobicContact CD1-CD1 3.77Å; K239-I242 WeakPolarHBondContact O-CB 3.43Å; K239-I242 PolarHBondContact O-N 2.94Å; A240-I242 VanDerWaalsContact C-N 3.27Å; I242-F245 HydrophobicContact CG2-CB 4.07Å; I242-L258 HydrophobicContact CB-CD2 4.27Å; I242-L258 HydrophobicContact CD1-CD2 3.47Å; I242-L258 VanDerWaalsContact CD1-CD2 3.47Å; I242-L258 HydrophobicContact CG1-CD2 4.47Å; I242-L258 HydrophobicContact CG2-CD2 4.07Å
243	Y	98.3	Very high	97	Very high	112 Å²	112	68.6 Å²	68.6	44%	0.439	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	130.2	-174.6	-69.6	-99.1	0	0	0	111.6	K214 I215 L217 K241 F245	K214-Y243 HydrophobicContact CB-CD2 3.89Å; K214-Y243 HydrophobicContact CB-CE2 3.54Å; K214-Y243 HydrophobicContact CD-CE2 4.37Å; I215-Y243 WeakPolarHBondContact O-CB 3.22Å; I215-Y243 PolarHBondContact O-N 3.02Å; L217-Y243 PolarHBondContact N-O 2.81Å; K241-Y243 VanDerWaalsContact O-CD2 3.31Å; K241-Y243 WeakPolarHBondContact O-CD2 3.36Å; Y243-F245 VanDerWaalsContact C-N 3.29Å; Y243-F245 PolarHBondContact O-N 2.69Å
244	E	96.8	Very high	97	Very high	124 Å²	124	67 Å²	67	58%	0.579	33%	0.332	S	S	*	.	S	Bend	trans	57.4	34.8	167.1	-55.9	178.6	161.6	0	0	114.7	S218	S218-E244 WeakPolarHBondContact CA-O 3.33Å; S218-E244 WeakPolarHBondContact CB-OE2 3.45Å; S218-E244 PolarHBondContact OG-OE2 2.83Å
245	F	98.1	Very high	97	Very high	7 Å²	7	69.8 Å²	69.8	3%	0.031	35%	0.353	C	S	.	.			trans	-71.2	127.6	170.6	178	-83.8	0	0	0	110.8	W200 L217 W222 C224 V228 I242 Y243 E257 L258 L261	W200-F245 HydrophobicContact CH2-CD2 4.23Å; W200-F245 AromaticContact CH2-CE2 3.5Å; W200-F245 HydrophobicContact CH2-CE2 3.5Å; W200-F245 VanDerWaalsContact CH2-CE2 3.5Å; W200-F245 HydrophobicContact CH2-CZ 4.46Å; W200-F245 HydrophobicContact CZ2-CE2 4.16Å; W200-F245 HydrophobicContact CZ3-CD2 4.44Å; W200-F245 AromaticContact CZ3-CE2 3.96Å; W200-F245 HydrophobicContact CZ3-CE2 3.96Å; L217-F245 HydrophobicContact CD1-CD2 3.87Å; W222-F245 HydrophobicContact CB-CE2 4Å; W222-F245 HydrophobicContact CB-CZ 4.22Å; W222-F245 AromaticContact CD1-CD2 3.92Å; W222-F245 AromaticContact CD1-CE2 3.93Å; W222-F245 HydrophobicContact CD2-CE2 4.37Å; W222-F245 HydrophobicContact CG-CD2 4.25Å; W222-F245 AromaticContact CG-CE2 3.82Å; W222-F245 HydrophobicContact CG-CE2 3.82Å; W222-F245 HydrophobicContact CG-CZ 4.5Å; C224-F245 VanDerWaalsContact SG-CZ 3.55Å; V228-F245 HydrophobicContact CG1-CZ 4.24Å; I242-F245 HydrophobicContact CG2-CB 4.07Å; Y243-F245 VanDerWaalsContact C-N 3.29Å; Y243-F245 PolarHBondContact O-N 2.69Å; F245-E257 WeakPolarHBondContact O-CA 3.32Å; F245-L258 HydrophobicContact CB-CB 4.19Å; F245-L258 HydrophobicContact CD1-CB 3.62Å; F245-L258 HydrophobicContact CD1-CD1 4.38Å; F245-L258 HydrophobicContact CE1-CB 4.31Å; F245-L258 HydrophobicContact CE1-CD1 4.33Å; F245-L258 HydrophobicContact CG-CB 4.12Å; F245-L261 HydrophobicContact CE1-CD1 4.07Å
246	R	98.1	Very high	97.1	Very high	116 Å²	116	67.4 Å²	67.4	44%	0.438	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-137.4	138.1	171.1	-64.8	-174.5	-175.7	-73.2	-10.2	110.8	S255 R256 E257	R246-S255 PolarHBondContact NH1-O 2.96Å; R246-S255 VanDerWaalsContact NH1-O 3.17Å; R246-R256 VanDerWaalsContact CA-O 3.32Å; R246-R256 WeakPolarHBondContact CA-O 3.22Å; R246-E257 HydrophobicContact CG-CG 4.42Å; R246-E257 IonicContact CZ-OE1 2.96Å; R246-E257 IonicContact NH1-OE1 3.77Å; R246-E257 PolarHBondContact NH1-OE1 3.44Å; R246-E257 IonicContact NH2-OE1 3.94Å; R246-E257 PolarHBondContact NH2-OE1 3.26Å
247	C	98.4	Very high	97.2	Very high	4 Å²	4	65.9 Å²	65.9	3%	0.027	32%	0.324	C	S	.	.			trans	-67.1	140.6	173.5	-60.2	0	0	0	0	111.3	C224 L253 K254 S255 R256	C224-C247 HydrophobicContact CB-CB 3.79Å; C224-C247 WeakPolarHBondContact CB-SG 3.33Å; C224-C247 WeakPolarHBondContact SG-CA 3.39Å; C224-C247 WeakPolarHBondContact SG-CB 3.19Å; C224-C247 CovalentContact SG-SG 2.02Å; C224-C247 PolarHBondContact SG-SG 3.27Å; C247-L253 HydrophobicContact CB-CB 4.16Å; C247-L253 WeakPolarHBondContact CB-O 3.46Å; C247-K254 CarbonylContact O-C 3.55Å; C247-K254 WeakPolarHBondContact O-CA 3.11Å; C247-S255 PolarHBondContact O-N 3.03Å; C247-R256 PolarHBondContact N-O 3.25Å
248	H	98.4	Very high	97.2	Very high	75 Å²	75	60 Å²	60	35%	0.347	30%	0.297	S	S	.	.			trans	-103.8	-44.7	168.6	-175.6	72.4	0	0	0	111	L221 W222	L221-H248 HydrophobicContact CB-CB 4.36Å; W222-H248 PolarHBondContact O-N 3.14Å
249	T	97.1	Very high	97.1	Very high	49 Å²	49	65.9 Å²	65.9	30%	0.301	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-125.7	157.1	174.2	52.7	0	0	0	0	110.2	W222 N223 C224	W222-T249 PolarHBondContact O-N 2.91Å; N223-T249 WeakPolarHBondContact CA-OG1 3.47Å; N223-T249 WeakPolarHBondContact CB-OG1 3.29Å; N223-T249 WeakPolarHBondContact OD1-CB 3.41Å; N223-T249 PolarHBondContact OD1-OG1 3.35Å; C224-T249 PolarHBondContact N-O 3.36Å
250	P	96.6	Very high	97.1	Very high	46 Å²	46	68.7 Å²	68.7	30%	0.299	34%	0.339	S	S	.	.	S	Bend	cis	-67.8	163.8	-11.2	31.5	-37.1	0	0	0	112.4	C224 N252 L253 K254	C224-P250 WeakPolarHBondContact O-CD 3.34Å; P250-N252 WeakPolarHBondContact CB-OD1 3.35Å; P250-N252 VanDerWaalsContact CG-OD1 3.25Å; P250-N252 WeakPolarHBondContact CG-OD1 2.99Å; P250-N252 PolarHBondContact O-N 3.09Å; P250-N252 VanDerWaalsContact O-N 3.1Å; P250-L253 HydrophobicContact CG-CB 4.43Å; P250-L253 HydrophobicContact CG-CD1 4.15Å; P250-L253 HydrophobicContact CG-CG 4.14Å; P250-L253 PolarHBondContact O-N 3.16Å; P250-K254 PolarHBondContact O-N 3.41Å
251	E	95.7	Very high	97.1	Very high	134 Å²	134	65.9 Å²	65.9	63%	0.626	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-56.2	-32.6	-173.4	-170.3	66.5	-157.6	0	0	113	L253 K254	E251-L253 PolarHBondContact O-N 3.46Å; E251-K254 VanDerWaalsContact CD-NZ 3.3Å; E251-K254 VanDerWaalsContact O-CB 3.3Å; E251-K254 WeakPolarHBondContact O-CB 3.2Å; E251-K254 PolarHBondContact O-N 3.23Å; E251-K254 VanDerWaalsContact OE1-CD 3.27Å; E251-K254 WeakPolarHBondContact OE1-CD 3.45Å; E251-K254 IonicContact OE1-NZ 2.77Å; E251-K254 PolarHBondContact OE1-NZ 3.42Å; E251-K254 WeakPolarHBondContact OE2-CD 3.36Å; E251-K254 IonicContact OE2-NZ 3.13Å; E251-K254 PolarHBondContact OE2-NZ 3.48Å
252	N	95.2	Very high	97	Very high	86 Å²	86	67.2 Å²	67.2	46%	0.46	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-70.5	-15.6	178.1	67.3	-73.4	0	0	0	114.4	P250 K268	P250-N252 WeakPolarHBondContact CB-OD1 3.35Å; P250-N252 VanDerWaalsContact CG-OD1 3.25Å; P250-N252 WeakPolarHBondContact CG-OD1 2.99Å; P250-N252 PolarHBondContact O-N 3.09Å; P250-N252 VanDerWaalsContact O-N 3.1Å; N252-K268 PolarHBondContact ND2-NZ 2.89Å
253	L	96.7	Very high	96.9	Very high	2 Å²	2	67.9 Å²	67.9	1%	0.01	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-108	-2.5	175.5	-60.2	-176	0	0	0	112.4	C224 C247 P250 E251 S255 R256 L261 D265 V266	C224-L253 HydrophobicContact CB-CD1 3.97Å; C224-L253 WeakPolarHBondContact O-CD1 3.29Å; C247-L253 HydrophobicContact CB-CB 4.16Å; C247-L253 WeakPolarHBondContact CB-O 3.46Å; P250-L253 HydrophobicContact CG-CB 4.43Å; P250-L253 HydrophobicContact CG-CD1 4.15Å; P250-L253 HydrophobicContact CG-CG 4.14Å; P250-L253 PolarHBondContact O-N 3.16Å; E251-L253 PolarHBondContact O-N 3.46Å; L253-S255 PolarHBondContact O-N 3.05Å; L253-R256 WeakPolarHBondContact O-CB 3.49Å; L253-R256 WeakPolarHBondContact O-CG 3.47Å; L253-R256 PolarHBondContact O-N 3.48Å; L253-L261 HydrophobicContact CD1-CD2 4.26Å; L253-L261 HydrophobicContact CD2-CD2 4.29Å; L253-D265 HydrophobicContact CD2-CB 4.05Å; L253-V266 HydrophobicContact CD1-CG1 3.86Å
254	K	97	Very high	96.7	Very high	88 Å²	88	68.2 Å²	68.2	38%	0.383	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	137.3	-175.1	-172.3	173.7	-175.2	172.8	0	112.7	C247 P250 E251 R256	C247-K254 CarbonylContact O-C 3.55Å; C247-K254 WeakPolarHBondContact O-CA 3.11Å; P250-K254 PolarHBondContact O-N 3.41Å; E251-K254 VanDerWaalsContact CD-NZ 3.3Å; E251-K254 VanDerWaalsContact O-CB 3.3Å; E251-K254 WeakPolarHBondContact O-CB 3.2Å; E251-K254 PolarHBondContact O-N 3.23Å; E251-K254 VanDerWaalsContact OE1-CD 3.27Å; E251-K254 WeakPolarHBondContact OE1-CD 3.45Å; E251-K254 IonicContact OE1-NZ 2.77Å; E251-K254 PolarHBondContact OE1-NZ 3.42Å; E251-K254 WeakPolarHBondContact OE2-CD 3.36Å; E251-K254 IonicContact OE2-NZ 3.13Å; E251-K254 PolarHBondContact OE2-NZ 3.48Å; K254-R256 PolarHBondContact O-N 2.81Å; K254-R256 VanDerWaalsContact O-N 3.11Å
255	S	97.2	Very high	96.5	Very high	74 Å²	74	64 Å²	64	52%	0.517	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	-5.9	-176.2	-54	0	0	0	0	116.3	R246 C247 L253	R246-S255 PolarHBondContact NH1-O 2.96Å; R246-S255 VanDerWaalsContact NH1-O 3.17Å; C247-S255 PolarHBondContact O-N 3.03Å; L253-S255 PolarHBondContact O-N 3.05Å
256	R	97.4	Very high	96.3	Very high	91 Å²	91	64.3 Å²	64.3	34%	0.343	33%	0.325	S	S	.	.			trans	-64.1	140.3	175.5	-69.3	-165.3	178.2	-167.5	1.8	111.3	R246 C247 L253 K254 E260 L261 D265	R246-R256 VanDerWaalsContact CA-O 3.32Å; R246-R256 WeakPolarHBondContact CA-O 3.22Å; C247-R256 PolarHBondContact N-O 3.25Å; L253-R256 WeakPolarHBondContact O-CB 3.49Å; L253-R256 WeakPolarHBondContact O-CG 3.47Å; L253-R256 PolarHBondContact O-N 3.48Å; K254-R256 PolarHBondContact O-N 2.81Å; K254-R256 VanDerWaalsContact O-N 3.11Å; R256-E260 VanDerWaalsContact CA-OE2 3.29Å; R256-E260 WeakPolarHBondContact CA-OE2 3.44Å; R256-L261 HydrophobicContact CB-CD2 4.09Å; R256-D265 IonicContact NH1-OD1 3.51Å; R256-D265 IonicContact NH1-OD2 2.88Å
257	E	97.1	Very high	96.1	Very high	68 Å²	68	59.2 Å²	59.2	32%	0.318	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-84.2	158.1	177.9	-62	-175.9	-173	0	0	111.5	F245 R246 I259 E260 L261	F245-E257 WeakPolarHBondContact O-CA 3.32Å; R246-E257 HydrophobicContact CG-CG 4.42Å; R246-E257 IonicContact CZ-OE1 2.96Å; R246-E257 IonicContact NH1-OE1 3.77Å; R246-E257 PolarHBondContact NH1-OE1 3.44Å; R246-E257 IonicContact NH2-OE1 3.94Å; R246-E257 PolarHBondContact NH2-OE1 3.26Å; E257-I259 HydrophobicContact CB-CG2 4.12Å; E257-I259 PolarHBondContact O-N 3.49Å; E257-I259 VanDerWaalsContact O-N 3.12Å; E257-E260 HydrophobicContact CB-CG 4.2Å; E257-E260 PolarHBondContact N-OE2 3.28Å; E257-E260 VanDerWaalsContact N-OE2 3.13Å; E257-E260 WeakPolarHBondContact O-CB 3.29Å; E257-E260 PolarHBondContact O-N 2.92Å; E257-L261 PolarHBondContact O-N 2.9Å
258	L	96.7	Very high	95.2	Very high	10 Å²	10	65.6 Å²	65.6	5%	0.052	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-57.7	-30.1	179.3	-176.7	62.5	0	0	0	113.2	V228 L231 I232 K239 I242 F245 E260 L261	V228-L258 HydrophobicContact CG1-CD1 4.07Å; L231-L258 HydrophobicContact CB-CD1 3.86Å; L231-L258 HydrophobicContact CB-CD2 4.11Å; L231-L258 HydrophobicContact CD1-CD2 4.4Å; I232-L258 HydrophobicContact CG1-CD1 4.17Å; K239-L258 WeakPolarHBondContact CE-O 3.47Å; K239-L258 HydrophobicContact CG-CD2 4.1Å; K239-L258 PolarHBondContact NZ-O 2.65Å; I242-L258 HydrophobicContact CB-CD2 4.27Å; I242-L258 HydrophobicContact CD1-CD2 3.47Å; I242-L258 VanDerWaalsContact CD1-CD2 3.47Å; I242-L258 HydrophobicContact CG1-CD2 4.47Å; I242-L258 HydrophobicContact CG2-CD2 4.07Å; F245-L258 HydrophobicContact CB-CB 4.19Å; F245-L258 HydrophobicContact CD1-CB 3.62Å; F245-L258 HydrophobicContact CD1-CD1 4.38Å; F245-L258 HydrophobicContact CE1-CB 4.31Å; F245-L258 HydrophobicContact CE1-CD1 4.33Å; F245-L258 HydrophobicContact CG-CB 4.12Å; L258-E260 VanDerWaalsContact C-N 3.27Å; L258-L261 HydrophobicContact CD1-CD1 4.35Å
259	I	95.3	Very high	93.5	Very high	132 Å²	132	69.4 Å²	69.4	68%	0.677	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-73.2	-20.6	178.2	-165.4	161	0	0	0	112.9	E257	E257-I259 HydrophobicContact CB-CG2 4.12Å; E257-I259 PolarHBondContact O-N 3.49Å; E257-I259 VanDerWaalsContact O-N 3.12Å
260	E	95.4	Very high	91.4	Very high	99 Å²	99	72.9 Å²	72.9	46%	0.463	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-91.4	-9.9	-179.4	-58.6	173.1	173.5	0	0	112.8	R256 E257 L258	R256-E260 VanDerWaalsContact CA-OE2 3.29Å; R256-E260 WeakPolarHBondContact CA-OE2 3.44Å; E257-E260 HydrophobicContact CB-CG 4.2Å; E257-E260 PolarHBondContact N-OE2 3.28Å; E257-E260 VanDerWaalsContact N-OE2 3.13Å; E257-E260 WeakPolarHBondContact O-CB 3.29Å; E257-E260 PolarHBondContact O-N 2.92Å; L258-E260 VanDerWaalsContact C-N 3.27Å
261	L	96.4	Very high	89.2	Confident	7 Å²	7	77 Å²	77	4%	0.037	38%	0.384	C	S	.	.			trans	-86.6	136.6	-178.6	-61.1	178	0	0	0	111.6	C224 V228 I232 F245 L253 R256 E257 L258 V266	C224-L261 HydrophobicContact CB-CD1 4.49Å; V228-L261 HydrophobicContact CG1-CD1 4.45Å; I232-L261 HydrophobicContact CD1-CB 3.75Å; I232-L261 HydrophobicContact CD1-CD1 4.47Å; I232-L261 HydrophobicContact CG1-CB 4.08Å; I232-L261 WeakPolarHBondContact CG2-O 3.3Å; F245-L261 HydrophobicContact CE1-CD1 4.07Å; L253-L261 HydrophobicContact CD1-CD2 4.26Å; L253-L261 HydrophobicContact CD2-CD2 4.29Å; R256-L261 HydrophobicContact CB-CD2 4.09Å; E257-L261 PolarHBondContact O-N 2.9Å; L258-L261 HydrophobicContact CD1-CD1 4.35Å; L261-V266 HydrophobicContact CD1-CG1 4.42Å
262	T	96.1	Very high	87	Confident	68 Å²	68	74.5 Å²	74.5	42%	0.417	38%	0.381	S	S	.	.			trans	-108.6	163.8	167	67.5	0	0	0	0	110.9	D264 D265	T262-D264 VanDerWaalsContact C-N 3.26Å; T262-D264 PolarHBondContact O-N 3.28Å; T262-D265 WeakPolarHBondContact CB-OD2 3.32Å; T262-D265 PolarHBondContact N-OD2 3.32Å; T262-D265 WeakPolarHBondContact O-CB 3.42Å; T262-D265 PolarHBondContact O-N 3.23Å; T262-D265 PolarHBondContact OG1-N 3.43Å; T262-D265 PolarHBondContact OG1-OD2 2.92Å
263	V	95.8	Very high	85	Confident	34 Å²	34	79 Å²	79	21%	0.206	40%	0.399	C	S	.	.	H	α-helix	trans	-60.1	-40.4	175.6	178.4	0	0	0	0	110.7	K229 I232 E233 D265 V266 C267	K229-V263 HydrophobicContact CD-CG1 4.06Å; K229-V263 HydrophobicContact CG-CG1 4.31Å; K229-V263 HydrophobicContact CG-CG2 4.28Å; I232-V263 HydrophobicContact CG2-CG2 4.2Å; E233-V263 HydrophobicContact CG-CG2 4.3Å; V263-D265 VanDerWaalsContact C-N 3.29Å; V263-D265 PolarHBondContact O-N 3.39Å; V263-V266 WeakPolarHBondContact O-CG2 3.5Å; V263-V266 PolarHBondContact O-N 2.92Å; V263-C267 HydrophobicContact CG1-CB 4.28Å; V263-C267 WeakPolarHBondContact O-CB 3.29Å; V263-C267 PolarHBondContact O-N 3.47Å
264	D	94.5	Very high	82.9	Confident	119 Å²	119	83.2 Å²	83.2	64%	0.636	43%	0.429	S	S	*	.	H	α-helix	trans	-65.9	-30.1	179.4	-62.1	-25.2	0	0	0	112.8	T262 V266 K268	T262-D264 VanDerWaalsContact C-N 3.26Å; T262-D264 PolarHBondContact O-N 3.28Å; D264-V266 VanDerWaalsContact C-N 3.34Å; D264-K268 WeakPolarHBondContact O-CG 3.5Å
265	D	92.6	Very high	80.6	Confident	36 Å²	36	83.9 Å²	83.9	19%	0.193	44%	0.44	C	S	.	.	H	α-helix	trans	-63.8	-40.1	176	-72.6	-54.1	0	0	0	112	L253 R256 T262 V263 K268	L253-D265 HydrophobicContact CD2-CB 4.05Å; R256-D265 IonicContact NH1-OD1 3.51Å; R256-D265 IonicContact NH1-OD2 2.88Å; T262-D265 WeakPolarHBondContact CB-OD2 3.32Å; T262-D265 PolarHBondContact N-OD2 3.32Å; T262-D265 WeakPolarHBondContact O-CB 3.42Å; T262-D265 PolarHBondContact O-N 3.23Å; T262-D265 PolarHBondContact OG1-N 3.43Å; T262-D265 PolarHBondContact OG1-OD2 2.92Å; V263-D265 VanDerWaalsContact C-N 3.29Å; V263-D265 PolarHBondContact O-N 3.39Å; D265-K268 WeakPolarHBondContact O-CE 3.31Å
266	V	95.4	Very high	78.5	Confident	13 Å²	13	87.7 Å²	87.7	8%	0.079	45%	0.453	C	S	.	.	H	α-helix	trans	-98.2	-27.2	-172	-61.7	0	0	0	0	113.7	C224 C226 I232 L253 L261 V263 D264	C224-V266 HydrophobicContact CB-CG1 4.44Å; C226-V266 PolarHBondContact N-O 3.03Å; I232-V266 HydrophobicContact CD1-CB 4.48Å; I232-V266 HydrophobicContact CD1-CG1 3.99Å; I232-V266 HydrophobicContact CD1-CG2 3.61Å; L253-V266 HydrophobicContact CD1-CG1 3.86Å; L261-V266 HydrophobicContact CD1-CG1 4.42Å; V263-V266 WeakPolarHBondContact O-CG2 3.5Å; V263-V266 PolarHBondContact O-N 2.92Å; D264-V266 VanDerWaalsContact C-N 3.34Å
267	C	94.1	Very high	76.2	Confident	9 Å²	9	88.6 Å²	88.6	6%	0.061	47%	0.471	C	S	.	.			trans	-111.7	58.9	-176.9	-60	0	0	0	0	111.5	C226 V263 E269 E270	C226-C267 WeakPolarHBondContact CA-SG 3.32Å; C226-C267 HydrophobicContact CB-CB 3.9Å; C226-C267 WeakPolarHBondContact CB-SG 3.29Å; C226-C267 WeakPolarHBondContact SG-CB 3.36Å; C226-C267 CovalentContact SG-SG 2.05Å; C226-C267 PolarHBondContact SG-SG 3.05Å; V263-C267 HydrophobicContact CG1-CB 4.28Å; V263-C267 WeakPolarHBondContact O-CB 3.29Å; V263-C267 PolarHBondContact O-N 3.47Å; C267-E269 PolarHBondContact O-N 3.35Å; C267-E270 HydrophobicContact CB-CG 4.49Å; C267-E270 PolarHBondContact O-N 3.39Å
268	K	79	Confident	73.9	Confident	137 Å²	137	91 Å²	91	60%	0.596	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	4.7	-174.9	-71.2	-175.4	178	179.2	0	116.2	N252 D264 D265	N252-K268 PolarHBondContact ND2-NZ 2.89Å; D264-K268 WeakPolarHBondContact O-CG 3.5Å; D265-K268 WeakPolarHBondContact O-CE 3.31Å
269	E	61.5	Low	71.6	Confident	156 Å²	156	99.2 Å²	99.2	73%	0.729	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-4.2	-178.8	-68.3	-178.8	174.1	0	0	114.3	C267 L271 S272	C267-E269 PolarHBondContact O-N 3.35Å; E269-L271 VanDerWaalsContact C-N 3.27Å; E269-L271 PolarHBondContact O-N 2.81Å; E269-S272 PolarHBondContact O-OG 3.47Å
270	E	53.6	Low	69.2	Low	121 Å²	121	100.5 Å²	100.5	57%	0.565	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-14.8	173.8	-69.5	-163.4	152.7	0	0	112.6	K229 C267	K229-E270 IonicContact NZ-OE1 2.88Å; K229-E270 IonicContact NZ-OE2 3.7Å; K229-E270 PolarHBondContact NZ-OE2 2.87Å; C267-E270 HydrophobicContact CB-CG 4.49Å; C267-E270 PolarHBondContact O-N 3.39Å
271	L	50	Low	66.7	Low	134 Å²	134	104.4 Å²	104.4	70%	0.702	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-13.7	178.7	-139.1	78.2	0	0	0	114.4	E269	E269-L271 VanDerWaalsContact C-N 3.27Å; E269-L271 PolarHBondContact O-N 2.81Å
272	S	49.8	Very low	64.2	Low	80 Å²	80	109.2 Å²	109.2	56%	0.559	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-11.1	-179.6	42.4	0	0	0	0	114	E269	E269-S272 PolarHBondContact O-OG 3.47Å
273	Q	53.5	Low	61.6	Low	181 Å²	181	111.4 Å²	111.4	85%	0.846	61%	0.614	S	S	*	*	S	Bend	trans	-93.4	-1.6	175	-75.4	178.5	-11.3	0	0	114.6
274	S	52.3	Low	59	Low	90 Å²	90	117 Å²	117	63%	0.629	64%	0.643	S	S	*	*	S	Bend	trans	-105.7	3.5	177.5	65.5	0	0	0	0	114.9
275	V	48.6	Very low	56.4	Low	102 Å²	102	122.2 Å²	122.2	62%	0.618	66%	0.655	S	S	*	*			trans	-113.6	87.8	177.2	-173.2	0	0	0	0	109.4	P277	V275-P277 WeakPolarHBondContact O-CD 3.24Å
276	I	54.1	Low	53.9	Low	154 Å²	154	127.4 Å²	127.4	79%	0.79	68%	0.683	S	S	*	*			trans	-71.5	114.5	158.6	-59.7	172.8	0	0	0	106.1	S278	I276-S278 PolarHBondContact O-N 3.26Å
277	P	49.5	Very low	51.3	Low	111 Å²	111	134.6 Å²	134.6	72%	0.721	72%	0.719	S	S	*	*			trans	-75.8	98.7	171.2	-7.3	26.3	0	0	0	107.4	V275 K279	V275-P277 WeakPolarHBondContact O-CD 3.24Å; P277-K279 VanDerWaalsContact C-N 3.34Å; P277-K279 PolarHBondContact O-N 3.08Å
278	S	46.9	Very low	48.8	Very low	117 Å²	117	137 Å²	137	82%	0.818	75%	0.745	S	S	*	*			trans	-64.3	94.1	165.4	41.2	0	0	0	0	109.4	I276	I276-S278 PolarHBondContact O-N 3.26Å
279	K	49.7	Very low	46.9	Very low	184 Å²	184	137.7 Å²	137.7	80%	0.8	76%	0.761	S	S	*	*			trans	-142.8	100.6	163.3	-102.5	-177.6	177.6	175.5	0	108.3	P277	P277-K279 VanDerWaalsContact C-N 3.34Å; P277-K279 PolarHBondContact O-N 3.08Å
280	D	43.7	Very low	45.9	Very low	159 Å²	159	138.2 Å²	138.2	85%	0.85	76%	0.761	S	S	*	*			trans	155.3	72.9	134.7	-73.5	-13.8	0	0	0	109.2
281	L	44.3	Very low	45.3	Very low	180 Å²	180	137.9 Å²	137.9	94%	0.942	76%	0.763	S	S	*	*			trans	-107.6	86.8	159.9	-138.2	100.7	0	0	0	107
282	S	43.3	Very low	44.8	Very low	108 Å²	108	139.5 Å²	139.5	76%	0.755	77%	0.767	S	S	*	*			trans	177.5	99.2	152.8	45.9	0	0	0	0	110.3
283	S	41.6	Very low	44.1	Very low	115 Å²	115	147.2 Å²	147.2	80%	0.804	79%	0.786	S	S	*	*				170.7	107.8	127	38.9	0	0	0	0	111.3
284	N	41.5	Very low	43.6	Very low	152 Å²	152	147.2 Å²	147.2	81%	0.813	79%	0.786	S	S	*	*			trans	46.7	98.6	140.8	-66.6	-11.2	0	0	0	119.3
285	Y	40.7	Very low	43	Very low	227 Å²	227	148.3 Å²	148.3	89%	0.89	79%	0.791	S	S	*	*			trans	-143.7	102.6	130.5	-130.2	-92.2	0	0	0	109.3
286	N	38.7	Very low	42.5	Very low	146 Å²	146	150.7 Å²	150.7	78%	0.781	81%	0.806	S	S	*	*			trans	-102.1	159.8	162.3	-92	-30.4	0	0	0	107.7
287	I	41.6	Very low	41.9	Very low	163 Å²	163	146.7 Å²	146.7	84%	0.836	80%	0.802	S	S	*	*			trans	91.3	109.9	-177.8	-49.8	160.5	0	0	0	109.8
288	G	40.7	Very low	41.6	Very low	59 Å²	59	149.9 Å²	149.9	61%	0.608	81%	0.807	S	S	*	*			cis	134.4	143.8	19	0	0	0	0	0	107.2
289	V	39.6	Very low	41.4	Very low	152 Å²	152	150.5 Å²	150.5	92%	0.921	80%	0.802	S	S	*	*			trans	79.7	144.3	169.7	-164.7	0	0	0	0	115.3
290	F	39.9	Very low	41	Very low	167 Å²	167	148.1 Å²	148.1	73%	0.732	80%	0.798	S	S	*	*			cis	179.6	162.1	-36.7	-173.1	-113	0	0	0	103.7
291	D	40.9	Very low	40.8	Very low	114 Å²	114	145.3 Å²	145.3	61%	0.61	79%	0.791	S	S	*	*			trans	76.9	101.5	173.6	-60.9	-38.1	0	0	0	118.5
292	Q	39.7	Very low	40.5	Very low	168 Å²	168	143.9 Å²	143.9	79%	0.785	78%	0.784	S	S	*	*				64.6	105.7	78	-69.5	-167	-4.5	0	0	114.3
293	Y	35.9	Very low	40.4	Very low	242 Å²	242	147.8 Å²	147.8	95%	0.949	79%	0.79	S	S	*	*			trans	-159.3	134.9	133.5	-127.8	-94.1	0	0	0	111.5
294	Q	42.1	Very low	40.1	Very low	182 Å²	182	151.2 Å²	151.2	85%	0.85	79%	0.794	S	S	*	*			trans	-82.6	167.4	-175.3	-81.2	-178.7	-76.8	0	0	113.9
295	P	39	Very low	40	Very low	112 Å²	112	153.1 Å²	153.1	73%	0.727	80%	0.798	S	S	*	*			trans	-103	152.1	-177.7	38.1	-29.3	0	0	0	113.8
296	T	38.5	Very low	39.7	Very low	153 Å²	153	150.4 Å²	150.4	94%	0.939	80%	0.798	S	S	*	*			trans	-168	143.5	160.4	41.6	0	0	0	0	113.1
297	G	41.5	Very low	39.7	Very low	69 Å²	69	147.1 Å²	147.1	71%	0.711	80%	0.799	S	S	*	*			trans	124.5	87.6	157.4	0	0	0	0	0	113.8
298	Q	43.4	Very low	39.3	Very low	178 Å²	178	146.7 Å²	146.7	83%	0.832	80%	0.799	S	S	*	*				76.6	142.3	76	-86.3	-175	-77.8	0	0	117.4
299	D	42.3	Very low	39.3	Very low	130 Å²	130	153.6 Å²	153.6	70%	0.695	81%	0.812	S	S	*	*			trans	89	118.5	165	-65.7	-26.5	0	0	0	117.7
300	N	41.6	Very low	39.2	Very low	134 Å²	134	149.8 Å²	149.8	72%	0.717	80%	0.804	S	S	*	*			cis	115.8	138.1	27.8	-91.1	-33.8	0	0	0	110.9
301	S	40.3	Very low	39.2	Very low	101 Å²	101	145.2 Å²	145.2	71%	0.706	80%	0.804	S	S	*	*			trans	76.7	108.1	153.1	36.6	0	0	0	0	121.9
302	N	37.8	Very low	39.2	Very low	149 Å²	149	147.6 Å²	147.6	80%	0.797	82%	0.815	S	S	*	*				42.8	123.8	119	-53.5	-22.1	0	0	0	120.5
303	Q	40.7	Very low	39.3	Very low	191 Å²	191	145.5 Å²	145.5	89%	0.893	82%	0.819	S	S	*	*				164.8	143.5	105.9	-90.1	-179	-6.8	0	0	112
304	Q	36	Very low	39.5	Very low	187 Å²	187	137.8 Å²	137.8	87%	0.874	81%	0.813	S	S	*	*			trans	-58.5	143.2	166.8	-72.6	158	-67.7	0	0	111.9
305	Q	39.9	Very low	39.2	Very low	192 Å²	192	139.7 Å²	139.7	90%	0.897	81%	0.812	S	S	*	*				178	154.4	121.8	-99	174.4	26	0	0	112.4
306	N	33.6	Very low	39.5	Very low	169 Å²	169	142.5 Å²	142.5	90%	0.904	82%	0.815	S	S	*	*			trans	-46.3	149.7	-177.4	-65.3	-34.4	0	0	0	116.1
307	G	39.5	Very low	39.4	Very low	78 Å²	78	143 Å²	143	80%	0.804	81%	0.812	S	S	*	*			trans	-174.5	94.6	168	0	0	0	0	0	112.2
308	D	32.9	Very low	39.5	Very low	154 Å²	154	147.9 Å²	147.9	82%	0.824	82%	0.821	S	S	*	*			trans	-55.9	135	168.2	-171.5	20.6	0	0	0	112.4
309	F	40.4	Very low	39.4	Very low	203 Å²	203	148.9 Å²	148.9	89%	0.89	82%	0.823	S	S	*	*			trans	-177.4	141.8	139.3	-125.2	-102.8	0	0	0	111.9
310	G	38.2	Very low	39.3	Very low	73 Å²	73	148 Å²	148	75%	0.753	82%	0.824	S	S	*	*			trans	-90.3	-175.4	-162.1	0	0	0	0	0	117.7
311	G	38.1	Very low	39.3	Very low	70 Å²	70	148.1 Å²	148.1	72%	0.722	83%	0.829	S	S	*	*			trans	164.6	62.4	177.1	0	0	0	0	0	118.6
312	I	42.3	Very low	39.2	Very low	164 Å²	164	150.8 Å²	150.8	84%	0.841	84%	0.836	S	S	*	*			trans	54.6	113.3	133.7	-50.4	166.4	0	0	0	119.6
313	S	41.5	Very low	39.4	Very low	124 Å²	124	148.6 Å²	148.6	87%	0.867	84%	0.838	S	S	*	*				152.5	133.7	104.5	-141	0	0	0	0	113.2
314	G	39.2	Very low	39.4	Very low	80 Å²	80	147.5 Å²	147.5	83%	0.825	84%	0.839	S	S	*	*			trans	143.1	76.2	164.9	0	0	0	0	0	115.6
315	R	37.4	Very low	39.5	Very low	222 Å²	222	141.5 Å²	141.5	84%	0.838	83%	0.827	S	S	*	*			trans	-81.1	145.8	-173.7	-169.7	179	-165.5	159.3	1.8	112.2
316	H	43.8	Very low	39.4	Very low	172 Å²	172	140.4 Å²	140.4	80%	0.796	83%	0.827	S	S	*	*				171.7	90.8	126.8	-88	-65.6	0	0	0	111.3
317	D	37.9	Very low	39.5	Very low	164 Å²	164	141.3 Å²	141.3	88%	0.877	83%	0.826	S	S	*	*			trans	-102.2	140.2	160.6	-88.4	-46.5	0	0	0	109.3
318	L	42.7	Very low	39.4	Very low	170 Å²	170	145.7 Å²	145.7	89%	0.89	83%	0.826	S	S	*	*			trans	-146.4	113.7	159.6	-96.3	144.8	0	0	0	108.9
319	K	41.8	Very low	39.7	Very low	199 Å²	199	146.5 Å²	146.5	87%	0.865	82%	0.824	S	S	*	*			trans	-99.2	162.9	166.5	-119.4	-167.5	174.8	171.6	0	109.7
320	P	39.6	Very low	39.4	Very low	111 Å²	111	145 Å²	145	72%	0.721	83%	0.825	S	S	*	*			trans	-91	162.4	-153.5	36.6	-36.9	0	0	0	114.6
321	V	42	Very low	39.6	Very low	137 Å²	137	146 Å²	146	83%	0.83	83%	0.826	S	S	*	*			trans	-123.3	127.4	170.7	172	0	0	0	0	108.8
322	N	37.4	Very low	39.6	Very low	157 Å²	157	149.4 Å²	149.4	84%	0.84	83%	0.833	S	S	*	*			trans	-75.7	139.5	167.3	-63.9	-41.1	0	0	0	109.9
323	A	43.3	Very low	39.6	Very low	103 Å²	103	146.4 Å²	146.4	85%	0.851	83%	0.832	S	S	*	*			trans	-159.3	134.6	154.4	0	0	0	0	0	110.4
324	D	39.2	Very low	39.2	Very low	169 Å²	169	144.6 Å²	144.6	90%	0.904	83%	0.834	S	S	*	*			trans	-59.5	156.2	-176.1	-75.9	-53.7	0	0	0	116.3
325	G	38	Very low	39.7	Very low	61 Å²	61	145.8 Å²	145.8	63%	0.629	83%	0.829	S	S	*	*			trans	79.6	102.1	131.9	0	0	0	0	0	118.1
326	N	37.9	Very low	40.6	Very low	169 Å²	169	140.7 Å²	140.7	90%	0.904	83%	0.827	S	S	*	*				176.1	126.6	113.6	-86.5	-22.2	0	0	0	111.5
327	E	35.8	Very low	41.2	Very low	188 Å²	188	136 Å²	136	88%	0.879	83%	0.825	S	S	*	*			trans	-60.9	137.9	163.7	-67.9	170.2	89.6	0	0	110.6
328	Q	39	Very low	42.8	Very low	170 Å²	170	132.7 Å²	132.7	79%	0.794	81%	0.807	S	S	*	*			trans	-173.9	122	131.7	-102.2	161.6	-4	0	0	113
329	Q	38.1	Very low	44.7	Very low	170 Å²	170	128 Å²	128	79%	0.794	79%	0.788	S	S	*	*			trans	75.5	91.5	136.8	-66.3	171	11.8	0	0	118.7
330	L	34.5	Very low	46.6	Very low	173 Å²	173	124.7 Å²	124.7	91%	0.906	78%	0.779	S	S	*	*			trans	-76.6	113.5	158.9	-171.4	68.2	0	0	0	109.6	T332	L330-T332 PolarHBondContact O-N 2.9Å
331	A	41.6	Very low	48.4	Very low	93 Å²	93	126.6 Å²	126.6	77%	0.769	78%	0.778	S	S	*	*			trans	-66.6	122.8	173.3	0	0	0	0	0	111.1	A333	A331-A333 PolarHBondContact O-N 2.9Å
332	T	38	Very low	50.4	Low	141 Å²	141	125.6 Å²	125.6	87%	0.865	77%	0.766	S	S	*	*			trans	-71.9	110.4	169.9	43.6	0	0	0	0	110.3	L330	L330-T332 PolarHBondContact O-N 2.9Å
333	A	42.6	Very low	52.6	Low	101 Å²	101	122.2 Å²	122.2	84%	0.835	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-75.7	134.4	166.3	0	0	0	0	0	110.2	A331 S335	A331-A333 PolarHBondContact O-N 2.9Å; A333-S335 PolarHBondContact O-N 3.47Å
334	G	34.6	Very low	54.4	Low	87 Å²	87	122.1 Å²	122.1	90%	0.897	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-60.2	126	-169.8	0	0	0	0	0	114.7
335	S	47.9	Very low	56.6	Low	105 Å²	105	118.2 Å²	118.2	73%	0.734	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-102.4	117.2	161	174.3	0	0	0	0	107.7	A333 G337	A333-S335 PolarHBondContact O-N 3.47Å; S335-G337 PolarHBondContact O-N 3.09Å
336	S	57.6	Low	59	Low	114 Å²	114	118.8 Å²	118.8	80%	0.797	70%	0.701	S	S	*	*			trans	-50.7	103.4	163.2	30.8	0	0	0	0	108.8	I338	S336-I338 PolarHBondContact O-N 2.67Å; S336-I338 VanDerWaalsContact O-N 3.08Å
337	G	55.6	Low	61.4	Low	73 Å²	73	114.3 Å²	114.3	75%	0.753	68%	0.682	S	S	*	*			trans	-56.9	113.9	-173.9	0	0	0	0	0	111.3	S335 S339	S335-G337 PolarHBondContact O-N 3.09Å; G337-S339 PolarHBondContact O-N 3.15Å
338	I	72.5	Confident	64	Low	96 Å²	96	108.7 Å²	108.7	49%	0.492	66%	0.66	S	S	.	*			trans	-57.2	123.2	164.8	-63.7	175.8	0	0	0	106.5	S336 I340 M342 I343	S336-I338 PolarHBondContact O-N 2.67Å; S336-I338 VanDerWaalsContact O-N 3.08Å; I338-I340 PolarHBondContact O-N 3.28Å; I338-M342 HydrophobicContact CG2-CB 3.18Å; I338-M342 HydrophobicContact CG2-CG 4.15Å; I338-I343 HydrophobicContact CB-CG1 4.34Å; I338-I343 HydrophobicContact CG2-CG1 3.96Å
339	S	81.8	Confident	66.5	Low	71 Å²	71	104.2 Å²	104.2	50%	0.497	64%	0.644	S	S	.	*			trans	-50	141.5	176.5	175.8	0	0	0	0	110	G337 E341 M342 I343	G337-S339 PolarHBondContact O-N 3.15Å; S339-E341 PolarHBondContact O-N 2.5Å; S339-M342 WeakPolarHBondContact O-CA 3.1Å; S339-M342 WeakPolarHBondContact O-CB 3.06Å; S339-M342 PolarHBondContact O-N 2.86Å; S339-I343 PolarHBondContact O-N 3Å
340	I	80.7	Confident	69.1	Low	130 Å²	130	100.3 Å²	100.3	67%	0.667	63%	0.628	S	S	*	*	H	α-helix	trans	-49.9	-34	178.8	-65.8	170.8	0	0	0	111	I338 M342 I343 I344	I338-I340 PolarHBondContact O-N 3.28Å; I340-M342 PolarHBondContact O-N 3.39Å; I340-I343 PolarHBondContact O-N 2.88Å; I340-I344 HydrophobicContact CG2-CD1 4.21Å; I340-I344 WeakPolarHBondContact O-CG1 3.43Å; I340-I344 PolarHBondContact O-N 3.16Å; I340-I344 VanDerWaalsContact O-N 3.12Å
341	E	79.4	Confident	71.8	Confident	150 Å²	150	93.1 Å²	93.1	70%	0.701	59%	0.593	S	S	*	*	H	α-helix	trans	-61.8	-41.3	175.7	-61.2	-173.4	163.2	0	0	113.1	S339 I344 V345	S339-E341 PolarHBondContact O-N 2.5Å; E341-I344 PolarHBondContact O-N 3.36Å; E341-V345 WeakPolarHBondContact O-CG2 3.32Å; E341-V345 PolarHBondContact O-N 3.07Å; E341-V345 VanDerWaalsContact O-N 3.1Å
342	M	82.6	Confident	74.3	Confident	116 Å²	116	92.1 Å²	92.1	57%	0.571	58%	0.58	S	S	*	*	H	α-helix	trans	-68.5	-36.5	176.6	-97.1	-82.7	-143.8	0	0	111.7	I338 S339 I340 I344 V345 I346	I338-M342 HydrophobicContact CG2-CB 3.18Å; I338-M342 HydrophobicContact CG2-CG 4.15Å; S339-M342 WeakPolarHBondContact O-CA 3.1Å; S339-M342 WeakPolarHBondContact O-CB 3.06Å; S339-M342 PolarHBondContact O-N 2.86Å; I340-M342 PolarHBondContact O-N 3.39Å; M342-I344 VanDerWaalsContact C-N 3.32Å; M342-I344 PolarHBondContact O-N 3.22Å; M342-V345 PolarHBondContact O-N 3.15Å; M342-I346 WeakPolarHBondContact O-CB 3.38Å; M342-I346 VanDerWaalsContact O-CG1 3.24Å; M342-I346 WeakPolarHBondContact O-CG1 3.48Å; M342-I346 PolarHBondContact O-N 3.47Å
343	I	84.6	Confident	76.9	Confident	86 Å²	86	89.5 Å²	89.5	44%	0.441	56%	0.56	S	S	.	*	H	α-helix	trans	-61.1	-44.5	175.4	-61.2	176.9	0	0	0	109.9	I338 S339 I340 V345 I346 C347	I338-I343 HydrophobicContact CB-CG1 4.34Å; I338-I343 HydrophobicContact CG2-CG1 3.96Å; S339-I343 PolarHBondContact O-N 3Å; I340-I343 PolarHBondContact O-N 2.88Å; I343-V345 PolarHBondContact O-N 3.17Å; I343-I346 PolarHBondContact O-N 3.11Å; I343-C347 PolarHBondContact O-N 3.01Å; I343-C347 PolarHBondContact O-SG 2.95Å
344	I	80.9	Confident	79.3	Confident	101 Å²	101	88.4 Å²	88.4	52%	0.518	54%	0.539	S	S	.	.	H	α-helix	trans	-61.2	-45.2	177.5	-65.8	167.6	0	0	0	110.8	I340 E341 M342 I346 C347 V348	I340-I344 HydrophobicContact CG2-CD1 4.21Å; I340-I344 WeakPolarHBondContact O-CG1 3.43Å; I340-I344 PolarHBondContact O-N 3.16Å; I340-I344 VanDerWaalsContact O-N 3.12Å; E341-I344 PolarHBondContact O-N 3.36Å; M342-I344 VanDerWaalsContact C-N 3.32Å; M342-I344 PolarHBondContact O-N 3.22Å; I344-I346 PolarHBondContact O-N 2.86Å; I344-C347 PolarHBondContact O-N 2.99Å; I344-V348 WeakPolarHBondContact O-CG2 3.48Å; I344-V348 PolarHBondContact O-N 3.45Å
345	V	85	Confident	82.1	Confident	87 Å²	87	86.3 Å²	86.3	53%	0.527	51%	0.509	S	S	.	.	H	α-helix	trans	-61	-44.9	177.1	173.6	0	0	0	0	111.2	E341 M342 I343 C347 V348 V349	E341-V345 WeakPolarHBondContact O-CG2 3.32Å; E341-V345 PolarHBondContact O-N 3.07Å; E341-V345 VanDerWaalsContact O-N 3.1Å; M342-V345 PolarHBondContact O-N 3.15Å; I343-V345 PolarHBondContact O-N 3.17Å; V345-C347 PolarHBondContact O-N 3.26Å; V345-V348 PolarHBondContact O-N 2.93Å; V345-V349 HydrophobicContact CG1-CG2 4.42Å; V345-V349 VanDerWaalsContact O-CG2 3.31Å; V345-V349 WeakPolarHBondContact O-CG2 3.4Å; V345-V349 PolarHBondContact O-N 3.32Å
346	I	87.6	Confident	84.3	Confident	74 Å²	74	86.1 Å²	86.1	38%	0.379	50%	0.498	S	S	.	.	H	α-helix	trans	-61	-45.7	177.5	-69.2	165	0	0	0	110.7	M342 I343 I344 V348 V349 I350	M342-I346 WeakPolarHBondContact O-CB 3.38Å; M342-I346 VanDerWaalsContact O-CG1 3.24Å; M342-I346 WeakPolarHBondContact O-CG1 3.48Å; M342-I346 PolarHBondContact O-N 3.47Å; I343-I346 PolarHBondContact O-N 3.11Å; I344-I346 PolarHBondContact O-N 2.86Å; I346-V348 VanDerWaalsContact C-N 3.34Å; I346-V348 PolarHBondContact O-N 3.47Å; I346-V349 PolarHBondContact O-N 3.29Å; I346-I350 HydrophobicContact CG2-CD1 3.7Å; I346-I350 HydrophobicContact CG2-CG1 4.37Å; I346-I350 VanDerWaalsContact O-CG1 3.29Å; I346-I350 WeakPolarHBondContact O-CG1 2.97Å; I346-I350 PolarHBondContact O-N 3.33Å
347	C	89.5	Confident	85.9	Confident	75 Å²	75	84.8 Å²	84.8	51%	0.507	48%	0.482	S	S	.	.	H	α-helix	trans	-61.2	-40.5	177.4	-70.3	0	0	0	0	112.4	I343 I344 V345 I350 A351	I343-C347 PolarHBondContact O-N 3.01Å; I343-C347 PolarHBondContact O-SG 2.95Å; I344-C347 PolarHBondContact O-N 2.99Å; V345-C347 PolarHBondContact O-N 3.26Å; C347-I350 PolarHBondContact O-N 3.48Å; C347-A351 WeakPolarHBondContact O-CB 3.49Å; C347-A351 PolarHBondContact O-N 3.28Å
348	V	90.5	Very high	87.8	Confident	69 Å²	69	85.7 Å²	85.7	42%	0.418	47%	0.468	S	S	.	.	H	α-helix	trans	-66.3	-42.5	176.7	172.6	0	0	0	0	111.1	I344 V345 I346 A351 C352	I344-V348 WeakPolarHBondContact O-CG2 3.48Å; I344-V348 PolarHBondContact O-N 3.45Å; V345-V348 PolarHBondContact O-N 2.93Å; I346-V348 VanDerWaalsContact C-N 3.34Å; I346-V348 PolarHBondContact O-N 3.47Å; V348-A351 PolarHBondContact O-N 2.93Å; V348-C352 WeakPolarHBondContact O-CB 3.34Å; V348-C352 PolarHBondContact O-N 3.45Å; V348-C352 PolarHBondContact O-SG 3.24Å
349	V	91.5	Very high	88.7	Confident	76 Å²	76	84.5 Å²	84.5	46%	0.461	47%	0.468	S	S	.	.	H	α-helix	trans	-62.8	-45.2	176.6	171.5	0	0	0	0	111	V345 I346 A351 C352 I353	V345-V349 HydrophobicContact CG1-CG2 4.42Å; V345-V349 VanDerWaalsContact O-CG2 3.31Å; V345-V349 WeakPolarHBondContact O-CG2 3.4Å; V345-V349 PolarHBondContact O-N 3.32Å; I346-V349 PolarHBondContact O-N 3.29Å; V349-A351 VanDerWaalsContact C-N 3.35Å; V349-A351 PolarHBondContact O-N 3.12Å; V349-C352 PolarHBondContact O-N 3.48Å; V349-I353 HydrophobicContact CG1-CD1 3.83Å; V349-I353 HydrophobicContact CG1-CG1 4.48Å; V349-I353 VanDerWaalsContact O-CG1 3.29Å; V349-I353 WeakPolarHBondContact O-CG1 3.44Å; V349-I353 PolarHBondContact O-N 2.94Å
350	I	91.8	Very high	89.3	Confident	89 Å²	89	86.2 Å²	86.2	46%	0.456	47%	0.471	S	S	.	.	H	α-helix	trans	-60.9	-44.8	176.2	-69.1	169.5	0	0	0	110.6	I346 C347 C352 I353 I354	I346-I350 HydrophobicContact CG2-CD1 3.7Å; I346-I350 HydrophobicContact CG2-CG1 4.37Å; I346-I350 VanDerWaalsContact O-CG1 3.29Å; I346-I350 WeakPolarHBondContact O-CG1 2.97Å; I346-I350 PolarHBondContact O-N 3.33Å; C347-I350 PolarHBondContact O-N 3.48Å; I350-C352 PolarHBondContact O-N 2.91Å; I350-I353 PolarHBondContact O-N 2.98Å; I350-I354 HydrophobicContact CG2-CD1 3.79Å; I350-I354 HydrophobicContact CG2-CG1 4.44Å; I350-I354 VanDerWaalsContact O-CG1 3.3Å; I350-I354 WeakPolarHBondContact O-CG1 3.17Å; I350-I354 PolarHBondContact O-N 3.42Å
351	A	91.9	Very high	89.9	Confident	21 Å²	21	84.7 Å²	84.7	17%	0.174	46%	0.464	C	S	.	.	H	α-helix	trans	-60.9	-42.8	177	0	0	0	0	0	112.1	F22 C347 V348 V349 I354 V355	F22-A351 HydrophobicContact CE2-CB 4.21Å; F22-A351 HydrophobicContact CZ-CB 4.33Å; C347-A351 WeakPolarHBondContact O-CB 3.49Å; C347-A351 PolarHBondContact O-N 3.28Å; V348-A351 PolarHBondContact O-N 2.93Å; V349-A351 VanDerWaalsContact C-N 3.35Å; V349-A351 PolarHBondContact O-N 3.12Å; A351-I354 PolarHBondContact O-N 3.31Å; A351-V355 WeakPolarHBondContact O-CG2 3.34Å; A351-V355 PolarHBondContact O-N 2.92Å
352	C	92.9	Very high	90.5	Very high	72 Å²	72	80.5 Å²	80.5	49%	0.486	45%	0.448	S	S	.	.	H	α-helix	trans	-61.8	-43.1	175.1	-73.3	0	0	0	0	112.2	V348 V349 I350 V355 I356	V348-C352 WeakPolarHBondContact O-CB 3.34Å; V348-C352 PolarHBondContact O-N 3.45Å; V348-C352 PolarHBondContact O-SG 3.24Å; V349-C352 PolarHBondContact O-N 3.48Å; I350-C352 PolarHBondContact O-N 2.91Å; C352-V355 PolarHBondContact O-N 3.47Å; C352-I356 VanDerWaalsContact O-CG1 3.32Å; C352-I356 WeakPolarHBondContact O-CG1 3.41Å; C352-I356 PolarHBondContact O-N 3.13Å
353	I	93.3	Very high	90.9	Very high	86 Å²	86	81.9 Å²	81.9	44%	0.441	45%	0.448	S	S	.	.	H	α-helix	trans	-62.2	-44.7	177	-69	166.9	0	0	0	110.5	V349 I350 V355 I356 I357	V349-I353 HydrophobicContact CG1-CD1 3.83Å; V349-I353 HydrophobicContact CG1-CG1 4.48Å; V349-I353 VanDerWaalsContact O-CG1 3.29Å; V349-I353 WeakPolarHBondContact O-CG1 3.44Å; V349-I353 PolarHBondContact O-N 2.94Å; I350-I353 PolarHBondContact O-N 2.98Å; I353-V355 VanDerWaalsContact C-N 3.34Å; I353-V355 PolarHBondContact O-N 2.67Å; I353-I356 PolarHBondContact O-N 3.01Å; I353-I357 HydrophobicContact CG2-CD1 3.73Å; I353-I357 HydrophobicContact CG2-CG1 4.38Å; I353-I357 VanDerWaalsContact O-CG1 3.3Å; I353-I357 WeakPolarHBondContact O-CG1 2.97Å; I353-I357 PolarHBondContact O-N 2.91Å
354	I	93.4	Very high	91.1	Very high	79 Å²	79	80 Å²	80	41%	0.405	44%	0.442	S	S	.	.	H	α-helix	trans	-60.1	-44	177.5	-69.1	167.6	0	0	0	110.8	I350 A351 I356 I357 I358	I350-I354 HydrophobicContact CG2-CD1 3.79Å; I350-I354 HydrophobicContact CG2-CG1 4.44Å; I350-I354 VanDerWaalsContact O-CG1 3.3Å; I350-I354 WeakPolarHBondContact O-CG1 3.17Å; I350-I354 PolarHBondContact O-N 3.42Å; A351-I354 PolarHBondContact O-N 3.31Å; I354-I356 PolarHBondContact O-N 3.27Å; I354-I357 PolarHBondContact O-N 2.05Å; I354-I358 HydrophobicContact CG2-CD1 3.75Å; I354-I358 HydrophobicContact CG2-CG1 4.4Å; I354-I358 VanDerWaalsContact O-CG1 3.3Å; I354-I358 WeakPolarHBondContact O-CG1 3.42Å; I354-I358 PolarHBondContact O-N 3.24Å
355	V	93.7	Very high	91.5	Very high	42 Å²	42	78.1 Å²	78.1	26%	0.255	44%	0.438	S	S	.	.	H	α-helix	trans	-63	-40.7	177.6	171.8	0	0	0	0	111.8	A351 C352 I353 S359	A351-V355 WeakPolarHBondContact O-CG2 3.34Å; A351-V355 PolarHBondContact O-N 2.92Å; C352-V355 PolarHBondContact O-N 3.47Å; I353-V355 VanDerWaalsContact C-N 3.34Å; I353-V355 PolarHBondContact O-N 2.67Å; V355-S359 WeakPolarHBondContact O-CB 3.5Å; V355-S359 PolarHBondContact O-N 2.72Å; V355-S359 PolarHBondContact O-OG 2.83Å
356	I	92.9	Very high	91.8	Very high	101 Å²	101	82.4 Å²	82.4	52%	0.518	45%	0.445	S	S	.	.	H	α-helix	trans	-63.8	-45.6	175.7	-68.1	166	0	0	0	110.3	C352 I353 I354 I358 S359 L360	C352-I356 VanDerWaalsContact O-CG1 3.32Å; C352-I356 WeakPolarHBondContact O-CG1 3.41Å; C352-I356 PolarHBondContact O-N 3.13Å; I353-I356 PolarHBondContact O-N 3.01Å; I354-I356 PolarHBondContact O-N 3.27Å; I356-I358 PolarHBondContact O-N 3.17Å; I356-S359 WeakPolarHBondContact O-CB 3.18Å; I356-S359 PolarHBondContact O-N 3.2Å; I356-L360 HydrophobicContact CG2-CD1 4.04Å; I356-L360 HydrophobicContact CG2-CG 4.39Å; I356-L360 WeakPolarHBondContact O-CG 3.31Å; I356-L360 PolarHBondContact O-N 3.47Å
357	I	92.5	Very high	91.8	Very high	87 Å²	87	83 Å²	83	45%	0.446	45%	0.445	S	S	.	.	H	α-helix	trans	-60.6	-47.8	178.3	-68.9	168.7	0	0	0	110.8	I353 I354 S359 L360 I361	I353-I357 HydrophobicContact CG2-CD1 3.73Å; I353-I357 HydrophobicContact CG2-CG1 4.38Å; I353-I357 VanDerWaalsContact O-CG1 3.3Å; I353-I357 WeakPolarHBondContact O-CG1 2.97Å; I353-I357 PolarHBondContact O-N 2.91Å; I354-I357 PolarHBondContact O-N 2.05Å; I357-S359 VanDerWaalsContact C-N 3.3Å; I357-S359 PolarHBondContact O-N 2.87Å; I357-L360 PolarHBondContact O-N 2.85Å; I357-I361 HydrophobicContact CG2-CD1 3.78Å; I357-I361 HydrophobicContact CG2-CG1 4.44Å; I357-I361 VanDerWaalsContact O-CG1 3.29Å; I357-I361 WeakPolarHBondContact O-CG1 3.39Å; I357-I361 PolarHBondContact O-N 3.36Å
358	I	94.7	Very high	91.6	Very high	92 Å²	92	87.8 Å²	87.8	47%	0.472	45%	0.452	S	S	.	.	H	α-helix	trans	-59.4	-43.6	176.7	-67.6	168.3	0	0	0	110.5	I354 I356 L360 I361 V362	I354-I358 HydrophobicContact CG2-CD1 3.75Å; I354-I358 HydrophobicContact CG2-CG1 4.4Å; I354-I358 VanDerWaalsContact O-CG1 3.3Å; I354-I358 WeakPolarHBondContact O-CG1 3.42Å; I354-I358 PolarHBondContact O-N 3.24Å; I356-I358 PolarHBondContact O-N 3.17Å; I358-L360 PolarHBondContact O-N 2.77Å; I358-I361 PolarHBondContact O-N 3.47Å; I358-V362 HydrophobicContact CG2-CG2 4.38Å; I358-V362 WeakPolarHBondContact O-CG2 3.37Å; I358-V362 PolarHBondContact O-N 3.29Å
359	S	91.8	Very high	91.3	Very high	70 Å²	70	86.8 Å²	86.8	49%	0.49	45%	0.451	S	S	.	.	H	α-helix	trans	-61.9	-41.2	178.2	-60.4	0	0	0	0	112.4	V355 I356 I357 V362 Y363	V355-S359 WeakPolarHBondContact O-CB 3.5Å; V355-S359 PolarHBondContact O-N 2.72Å; V355-S359 PolarHBondContact O-OG 2.83Å; I356-S359 WeakPolarHBondContact O-CB 3.18Å; I356-S359 PolarHBondContact O-N 3.2Å; I357-S359 VanDerWaalsContact C-N 3.3Å; I357-S359 PolarHBondContact O-N 2.87Å; S359-V362 PolarHBondContact O-N 3.22Å; S359-Y363 VanDerWaalsContact O-CB 3.29Å; S359-Y363 WeakPolarHBondContact O-CB 3.49Å; S359-Y363 PolarHBondContact O-N 3.4Å
360	L	93.9	Very high	91	Very high	107 Å²	107	89.7 Å²	89.7	56%	0.56	46%	0.46	S	S	*	.	H	α-helix	trans	-66.6	-40.4	175.3	-69.9	174.1	0	0	0	112	I356 I357 I358 Y363 S364	I356-L360 HydrophobicContact CG2-CD1 4.04Å; I356-L360 HydrophobicContact CG2-CG 4.39Å; I356-L360 WeakPolarHBondContact O-CG 3.31Å; I356-L360 PolarHBondContact O-N 3.47Å; I357-L360 PolarHBondContact O-N 2.85Å; I358-L360 PolarHBondContact O-N 2.77Å; L360-Y363 PolarHBondContact O-N 3.38Å; L360-S364 WeakPolarHBondContact O-CB 3.25Å; L360-S364 PolarHBondContact O-N 3.12Å; L360-S364 PolarHBondContact O-OG 3.23Å
361	I	92.9	Very high	90.7	Very high	99 Å²	99	93.1 Å²	93.1	51%	0.508	47%	0.467	S	S	.	.	H	α-helix	trans	-62.7	-47.3	175.4	-68	166.9	0	0	0	110.2	I357 I358 S364 S365	I357-I361 HydrophobicContact CG2-CD1 3.78Å; I357-I361 HydrophobicContact CG2-CG1 4.44Å; I357-I361 VanDerWaalsContact O-CG1 3.29Å; I357-I361 WeakPolarHBondContact O-CG1 3.39Å; I357-I361 PolarHBondContact O-N 3.36Å; I358-I361 PolarHBondContact O-N 3.47Å; I361-S364 PolarHBondContact O-N 2.91Å; I361-S364 PolarHBondContact O-OG 3.04Å; I361-S365 WeakPolarHBondContact O-CB 3.37Å; I361-S365 PolarHBondContact O-N 3.44Å; I361-S365 PolarHBondContact O-OG 2.77Å
362	V	92.2	Very high	90.2	Very high	61 Å²	61	100.8 Å²	100.8	37%	0.37	49%	0.491	S	S	.	.	H	α-helix	trans	-63.1	-42.8	177	173.3	0	0	0	0	111.4	I358 S359 S365 R366	I358-V362 HydrophobicContact CG2-CG2 4.38Å; I358-V362 WeakPolarHBondContact O-CG2 3.37Å; I358-V362 PolarHBondContact O-N 3.29Å; S359-V362 PolarHBondContact O-N 3.22Å; V362-S365 PolarHBondContact O-N 3.28Å; V362-S365 PolarHBondContact O-OG 3.48Å; V362-R366 WeakPolarHBondContact O-CB 3.44Å; V362-R366 WeakPolarHBondContact O-CG 3.29Å; V362-R366 PolarHBondContact O-N 3.48Å
363	Y	91.5	Very high	89.7	Confident	146 Å²	146	103.8 Å²	103.8	57%	0.573	50%	0.496	S	S	*	.	H	α-helix	trans	-61.7	-46.1	176	176.9	-98.2	0	0	0	111.7	S359 L360 S365 R366 K367	S359-Y363 VanDerWaalsContact O-CB 3.29Å; S359-Y363 WeakPolarHBondContact O-CB 3.49Å; S359-Y363 PolarHBondContact O-N 3.4Å; L360-Y363 PolarHBondContact O-N 3.38Å; Y363-S365 PolarHBondContact O-N 2.02Å; Y363-R366 PolarHBondContact O-N 3.32Å; Y363-K367 HydrophobicContact CE1-CD 4.14Å; Y363-K367 WeakPolarHBondContact O-CB 3.39Å; Y363-K367 PolarHBondContact O-N 3.28Å
364	S	88.4	Confident	89	Confident	45 Å²	45	104.9 Å²	104.9	32%	0.315	50%	0.499	S	S	.	.	H	α-helix	trans	-64.8	-38.2	179.6	77.7	0	0	0	0	112.4	L360 I361 K367 R368	L360-S364 WeakPolarHBondContact O-CB 3.25Å; L360-S364 PolarHBondContact O-N 3.12Å; L360-S364 PolarHBondContact O-OG 3.23Å; I361-S364 PolarHBondContact O-N 2.91Å; I361-S364 PolarHBondContact O-OG 3.04Å; S364-K367 PolarHBondContact O-N 2.91Å; S364-R368 WeakPolarHBondContact O-CB 3.39Å; S364-R368 VanDerWaalsContact O-CG 3.29Å; S364-R368 WeakPolarHBondContact O-CG 3.3Å; S364-R368 PolarHBondContact O-N 2.94Å
365	S	89.2	Confident	88.3	Confident	63 Å²	63	107.1 Å²	107.1	44%	0.441	51%	0.508	S	S	.	.	H	α-helix	trans	-68.8	-42.2	177.6	67.3	0	0	0	0	111.6	I361 V362 Y363 R368 A369	I361-S365 WeakPolarHBondContact O-CB 3.37Å; I361-S365 PolarHBondContact O-N 3.44Å; I361-S365 PolarHBondContact O-OG 2.77Å; V362-S365 PolarHBondContact O-N 3.28Å; V362-S365 PolarHBondContact O-OG 3.48Å; Y363-S365 PolarHBondContact O-N 2.02Å; S365-R368 PolarHBondContact O-N 3.1Å; S365-A369 WeakPolarHBondContact O-CB 3.35Å; S365-A369 PolarHBondContact O-N 2.93Å
366	R	91.2	Very high	87.5	Confident	176 Å²	176	111.6 Å²	111.6	66%	0.664	53%	0.526	S	S	*	.	H	α-helix	trans	-61.9	-44.6	173.3	-74.3	-179	177.8	-169	1.3	112.2	V362 Y363 R368 A369 Q370	V362-R366 WeakPolarHBondContact O-CB 3.44Å; V362-R366 WeakPolarHBondContact O-CG 3.29Å; V362-R366 PolarHBondContact O-N 3.48Å; Y363-R366 PolarHBondContact O-N 3.32Å; R366-R368 VanDerWaalsContact C-N 3.35Å; R366-R368 PolarHBondContact O-N 3.3Å; R366-A369 PolarHBondContact O-N 3.11Å; R366-Q370 PolarHBondContact O-N 3.43Å
367	K	88.1	Confident	86.7	Confident	88 Å²	88	114.4 Å²	114.4	38%	0.383	53%	0.53	S	S	.	.	H	α-helix	trans	-61.8	-41.6	177	-172.1	172.3	-176.4	172.4	0	111.7	Y363 S364 Q370 R371	Y363-K367 HydrophobicContact CE1-CD 4.14Å; Y363-K367 WeakPolarHBondContact O-CB 3.39Å; Y363-K367 PolarHBondContact O-N 3.28Å; S364-K367 PolarHBondContact O-N 2.91Å; K367-Q370 PolarHBondContact O-N 3.35Å; K367-R371 WeakPolarHBondContact O-CG 3.47Å; K367-R371 PolarHBondContact O-N 3.48Å; K367-R371 VanDerWaalsContact O-N 3.1Å
368	R	85.7	Confident	85.6	Confident	174 Å²	174	115.7 Å²	115.7	66%	0.657	54%	0.538	S	S	*	.	H	α-helix	trans	-64	-42.4	173.9	-73.4	175.7	-174.5	-175	2.6	111.9	S364 S365 R366 R371 R372	S364-R368 WeakPolarHBondContact O-CB 3.39Å; S364-R368 VanDerWaalsContact O-CG 3.29Å; S364-R368 WeakPolarHBondContact O-CG 3.3Å; S364-R368 PolarHBondContact O-N 2.94Å; S365-R368 PolarHBondContact O-N 3.1Å; R366-R368 VanDerWaalsContact C-N 3.35Å; R366-R368 PolarHBondContact O-N 3.3Å; R368-R371 PolarHBondContact O-N 2.66Å; R368-R372 PolarHBondContact O-N 3.43Å; R368-R372 VanDerWaalsContact O-N 3.09Å
369	A	83.7	Confident	84.2	Confident	49 Å²	49	116.7 Å²	116.7	41%	0.405	54%	0.544	S	S	.	.	H	α-helix	trans	-64.1	-39.5	176.8	0	0	0	0	0	112.6	S365 R366 R372 K373	S365-A369 WeakPolarHBondContact O-CB 3.35Å; S365-A369 PolarHBondContact O-N 2.93Å; R366-A369 PolarHBondContact O-N 3.11Å; A369-R372 PolarHBondContact O-N 2.93Å; A369-K373 PolarHBondContact O-N 3.17Å; A369-K373 VanDerWaalsContact O-N 3.15Å
370	Q	85.4	Confident	82.4	Confident	136 Å²	136	115.9 Å²	115.9	64%	0.636	55%	0.547	S	S	*	.	H	α-helix	trans	-62.9	-41.9	173.9	-76.8	178.2	-28.2	0	0	112.2	R366 K367 R372 K373 Q374	R366-Q370 PolarHBondContact O-N 3.43Å; K367-Q370 PolarHBondContact O-N 3.35Å; Q370-R372 PolarHBondContact O-N 3.47Å; Q370-K373 PolarHBondContact O-N 2.83Å; Q370-Q374 PolarHBondContact O-N 3.24Å; Q370-Q374 VanDerWaalsContact O-N 3.07Å
371	R	85	Confident	80.5	Confident	162 Å²	162	116.4 Å²	116.4	61%	0.611	55%	0.554	S	S	*	*	H	α-helix	trans	-61.1	-42	175.4	-72.5	177.7	178.5	-173.9	-3.2	112.3	K367 R368 Q374 Q375	K367-R371 WeakPolarHBondContact O-CG 3.47Å; K367-R371 PolarHBondContact O-N 3.48Å; K367-R371 VanDerWaalsContact O-N 3.1Å; R368-R371 PolarHBondContact O-N 2.66Å; R371-Q374 WeakPolarHBondContact O-CB 3.27Å; R371-Q374 PolarHBondContact O-N 3.28Å; R371-Q375 PolarHBondContact O-N 3.31Å
372	R	81.7	Confident	78.3	Confident	182 Å²	182	116 Å²	116	69%	0.687	56%	0.56	S	S	*	*	H	α-helix	trans	-59.9	-46.5	175.6	-71.1	-178.9	179.3	-173.7	-2.2	112.1	R368 A369 Q370 Q374 Q375 E376	R368-R372 PolarHBondContact O-N 3.43Å; R368-R372 VanDerWaalsContact O-N 3.09Å; A369-R372 PolarHBondContact O-N 2.93Å; Q370-R372 PolarHBondContact O-N 3.47Å; R372-Q374 VanDerWaalsContact C-N 3.28Å; R372-Q374 PolarHBondContact O-N 3.08Å; R372-Q375 PolarHBondContact O-N 2.92Å; R372-Q375 VanDerWaalsContact O-N 3.14Å; R372-E376 WeakPolarHBondContact O-CG 3.24Å; R372-E376 PolarHBondContact O-N 3.28Å
373	K	81.8	Confident	76.2	Confident	134 Å²	134	121.4 Å²	121.4	58%	0.583	58%	0.581	S	S	*	*	H	α-helix	trans	-63.9	-28.2	176.2	-70.1	-173.8	177.8	-171.6	0	113.9	A369 Q370 R377	A369-K373 PolarHBondContact O-N 3.17Å; A369-K373 VanDerWaalsContact O-N 3.15Å; Q370-K373 PolarHBondContact O-N 2.83Å; K373-R377 PolarHBondContact O-N 2.88Å; K373-R377 PolarHBondContact O-NE 3Å
374	Q	79.8	Confident	74	Confident	109 Å²	109	123.6 Å²	123.6	51%	0.509	59%	0.593	S	S	.	*	H	α-helix	trans	-72.7	-42.1	173.9	-161.8	92.8	-1.3	0	0	110.5	Q370 R371 R372 R377 N378	Q370-Q374 PolarHBondContact O-N 3.24Å; Q370-Q374 VanDerWaalsContact O-N 3.07Å; R371-Q374 WeakPolarHBondContact O-CB 3.27Å; R371-Q374 PolarHBondContact O-N 3.28Å; R372-Q374 VanDerWaalsContact C-N 3.28Å; R372-Q374 PolarHBondContact O-N 3.08Å; Q374-R377 PolarHBondContact O-N 2.88Å; Q374-N378 PolarHBondContact O-N 3.37Å
375	Q	78.4	Confident	71.7	Confident	126 Å²	126	126.5 Å²	126.5	59%	0.589	61%	0.609	S	S	*	*	H	α-helix	trans	-68.7	-38.5	-179.5	-156.3	168.9	-1.4	0	0	112	R371 R372 N378 L379	R371-Q375 PolarHBondContact O-N 3.31Å; R372-Q375 PolarHBondContact O-N 2.92Å; R372-Q375 VanDerWaalsContact O-N 3.14Å; Q375-N378 PolarHBondContact O-N 3.28Å; Q375-L379 HydrophobicContact CG-CD1 4.28Å; Q375-L379 PolarHBondContact O-N 3.1Å
376	E	77.2	Confident	69.4	Low	136 Å²	136	130.4 Å²	130.4	64%	0.636	63%	0.625	S	S	*	*	H	α-helix	trans	-62.9	-40.1	171.9	-73.8	170.5	178.1	0	0	112.4	R372 G380	R372-E376 WeakPolarHBondContact O-CG 3.24Å; R372-E376 PolarHBondContact O-N 3.28Å; E376-G380 PolarHBondContact O-N 3.25Å
377	R	74.9	Confident	67.4	Low	161 Å²	161	127.3 Å²	127.3	61%	0.608	63%	0.631	S	S	*	*	H	α-helix	trans	-65.5	-37.7	174.2	-82.9	-174.5	-85.6	171.5	-4.5	112.3	K373 Q374 V381	K373-R377 PolarHBondContact O-N 2.88Å; K373-R377 PolarHBondContact O-NE 3Å; Q374-R377 PolarHBondContact O-N 2.88Å; R377-V381 WeakPolarHBondContact O-CG2 3.22Å
378	N	70.6	Confident	65.4	Low	113 Å²	113	133.2 Å²	133.2	60%	0.604	65%	0.652	S	S	*	*	H	α-helix	trans	-73	-36.2	178.3	-69.1	-9.2	0	0	0	112.5	Q374 Q375	Q374-N378 PolarHBondContact O-N 3.37Å; Q375-N378 PolarHBondContact O-N 3.28Å
379	L	64.6	Low	63.7	Low	113 Å²	113	129.9 Å²	129.9	59%	0.592	65%	0.654	S	S	*	*	H	α-helix	trans	-75.2	-34.6	174.8	-99.5	89.6	0	0	0	112.9	Q375 V381 S382	Q375-L379 HydrophobicContact CG-CD1 4.28Å; Q375-L379 PolarHBondContact O-N 3.1Å; L379-V381 PolarHBondContact O-N 3.46Å; L379-S382 PolarHBondContact O-N 2.96Å
380	G	54.9	Low	62.1	Low	54 Å²	54	132.2 Å²	132.2	56%	0.557	67%	0.674	S	S	*	*	H	α-helix	trans	-69.9	-15.9	-178.3	0	0	0	0	0	115	E376	E376-G380 PolarHBondContact O-N 3.25Å
381	V	52.5	Low	60.5	Low	117 Å²	117	131.8 Å²	131.8	71%	0.709	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-17.4	176.2	176.5	0	0	0	0	112	R377 L379	R377-V381 WeakPolarHBondContact O-CG2 3.22Å; L379-V381 PolarHBondContact O-N 3.46Å
382	S	46.6	Very low	58.9	Low	90 Å²	90	130.4 Å²	130.4	63%	0.629	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-86.7	-20	-175.4	-159.8	0	0	0	0	114.7	L379	L379-S382 PolarHBondContact O-N 2.96Å
383	H	48	Very low	57	Low	176 Å²	176	130.3 Å²	130.3	82%	0.815	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-95.5	15.6	-175.7	-90.4	-77.1	0	0	0	115.5
384	K	45.8	Very low	55.8	Low	192 Å²	192	132 Å²	132	84%	0.835	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-109.2	9	-179.8	-99.5	-173.5	178.8	-178.2	0	116.4
385	T	40.3	Very low	54.3	Low	105 Å²	105	133.7 Å²	133.7	64%	0.644	71%	0.713	S	S	*	*	S	Bend	trans	-139.9	102.5	178.4	52.9	0	0	0	0	110.5
386	N	41.3	Very low	52.6	Low	145 Å²	145	133.2 Å²	133.2	78%	0.775	72%	0.721	S	S	*	*			trans	160.4	65.5	146.8	-79.6	-10.3	0	0	0	111.1
387	S	48.7	Very low	50.9	Low	112 Å²	112	131.7 Å²	131.7	78%	0.783	73%	0.725	S	S	*	*			trans	-105	89.4	157.8	164.4	0	0	0	0	107	C389	S387-C389 PolarHBondContact O-N 3.26Å
388	Y	47.3	Very low	49.4	Very low	211 Å²	211	129.5 Å²	129.5	83%	0.827	73%	0.734	S	S	*	*			trans	-70	113.2	170.7	-92.3	-98.7	0	0	0	109.1
389	C	48.8	Very low	48.1	Very low	104 Å²	104	135.2 Å²	135.2	70%	0.703	75%	0.748	S	S	*	*			trans	-79.6	120.1	161.5	-68.8	0	0	0	0	108.4	S387 V391	S387-C389 PolarHBondContact O-N 3.26Å; C389-V391 PolarHBondContact O-N 3.03Å
390	A	50.3	Low	47.2	Very low	99 Å²	99	136.3 Å²	136.3	82%	0.818	76%	0.759	S	S	*	*			trans	-70.5	112.6	166.2	0	0	0	0	0	108.9
391	V	52.5	Low	46.7	Very low	126 Å²	126	139.2 Å²	139.2	76%	0.764	77%	0.768	S	S	*	*			trans	-86.7	115.2	172.2	175.3	0	0	0	0	107.7	C389	C389-V391 PolarHBondContact O-N 3.03Å
392	I	50.8	Low	46.2	Very low	133 Å²	133	138.5 Å²	138.5	68%	0.682	77%	0.768	S	S	*	*			trans	-81.5	112.1	168.3	-60.9	174	0	0	0	106.9	H394	I392-H394 PolarHBondContact O-N 2.94Å
393	E	42.8	Very low	46	Very low	181 Å²	181	140.6 Å²	140.6	85%	0.846	77%	0.768	S	S	*	*			trans	-74	114	170.7	-72.3	-177.8	164.1	0	0	109.9
394	H	56.7	Low	45.9	Very low	168 Å²	168	139.9 Å²	139.9	78%	0.778	76%	0.763	S	S	*	*			trans	-111.4	114.5	160.6	-79.4	-65.3	0	0	0	109.5	I392	I392-H394 PolarHBondContact O-N 2.94Å
395	N	47.6	Very low	45.7	Very low	145 Å²	145	138.6 Å²	138.6	78%	0.775	76%	0.76	S	S	*	*			trans	-70.1	129.5	175.2	178.9	10.8	0	0	0	111.7
396	P	41.9	Very low	45.9	Very low	116 Å²	116	137.5 Å²	137.5	75%	0.753	76%	0.761	S	S	*	*			trans	-119.2	119.6	165	32.4	-16.4	0	0	0	111.7
397	S	42.8	Very low	45.9	Very low	105 Å²	105	136.5 Å²	136.5	73%	0.734	76%	0.761	S	S	*	*			trans	-146.2	101.4	167.1	-75.6	0	0	0	0	111.2
398	S	43.1	Very low	45.6	Very low	114 Å²	114	135.6 Å²	135.6	80%	0.797	75%	0.754	S	S	*	*			trans	154.7	99.1	150	44.3	0	0	0	0	107.8
399	R	43.5	Very low	45.4	Very low	234 Å²	234	134.1 Å²	134.1	88%	0.883	76%	0.755	S	S	*	*				44.2	119.9	90.3	-73.4	-172.8	-178.5	179.3	1.2	110.8
400	T	45.2	Very low	45.3	Very low	135 Å²	135	134.7 Å²	134.7	83%	0.828	76%	0.76	S	S	*	*			cis	-174.4	171.6	45.2	9.2	0	0	0	0	110.6
401	P	44.2	Very low	45.1	Very low	115 Å²	115	134.9 Å²	134.9	75%	0.747	75%	0.753	S	S	*	*			trans	-119.5	172.9	-144.7	44	-35.7	0	0	0	116.2
402	S	42.3	Very low	44.8	Very low	103 Å²	103	140.1 Å²	140.1	72%	0.72	76%	0.761	S	S	*	*			trans	174.7	149.3	145.5	-109.4	0	0	0	0	107.5
403	E	42.5	Very low	44.2	Very low	133 Å²	133	140.6 Å²	140.6	62%	0.621	77%	0.765	S	S	*	*			cis	-175.7	142.6	-8.4	-130.2	-179.9	136.7	0	0	104.9
404	K	45.5	Very low	44.2	Very low	161 Å²	161	142.1 Å²	142.1	70%	0.7	76%	0.764	S	S	*	*			trans	55.2	142.7	145.2	-67.5	168	-179.2	165	0	119.2
405	Q	42.7	Very low	43.4	Very low	166 Å²	166	138.7 Å²	138.7	78%	0.776	76%	0.759	S	S	*	*			cis	-172.5	149	12.2	-127.5	164.5	-39.3	0	0	107.4
406	A	43	Very low	43.1	Very low	81 Å²	81	144 Å²	144	67%	0.669	77%	0.768	S	S	*	*			trans	47.8	142.2	131	0	0	0	0	0	120.2
407	T	41.3	Very low	43.1	Very low	125 Å²	125	141.6 Å²	141.6	77%	0.767	76%	0.764	S	S	*	*			cis	-178.5	142.3	9.4	12.7	0	0	0	0	106.9
408	S	42.8	Very low	43.3	Very low	93 Å²	93	144.6 Å²	144.6	65%	0.65	77%	0.771	S	S	*	*			trans	59.1	137.2	134.1	97.5	0	0	0	0	123.8
409	Q	44.3	Very low	43.3	Very low	180 Å²	180	144.7 Å²	144.7	84%	0.841	77%	0.771	S	S	*	*			trans	107.7	101.5	138.3	-73	173.5	16.7	0	0	120.2
410	S	44.8	Very low	43.4	Very low	115 Å²	115	142.2 Å²	142.2	80%	0.804	77%	0.77	S	S	*	*				77.3	143.1	124.1	-137	0	0	0	0	121.5
411	P	46.7	Very low	43.6	Very low	104 Å²	104	140.8 Å²	140.8	68%	0.675	76%	0.763	S	S	*	*			trans	-110.1	153.2	-164.5	39.2	-26.5	0	0	0	114.3
412	Y	45.5	Very low	43.5	Very low	236 Å²	236	143.9 Å²	143.9	93%	0.925	77%	0.767	S	S	*	*			trans	-139.9	137.5	159.5	-79.5	-76.3	0	0	0	112
413	N	40	Very low	44	Very low	143 Å²	143	148.8 Å²	148.8	77%	0.765	78%	0.775	S	S	*	*			trans	-47.4	149.3	170	-75.6	-39.1	0	0	0	114.2
414	Y	41.6	Very low	44.4	Very low	212 Å²	212	151.3 Å²	151.3	83%	0.831	79%	0.787	S	S	*	*				170.1	131.3	111.7	-109.4	-103.3	0	0	0	112.6
415	S	40.1	Very low	45	Very low	97 Å²	97	149.6 Å²	149.6	68%	0.678	79%	0.793	S	S	*	*			trans	60	111.1	139.4	-65.8	0	0	0	0	124.2
416	R	41.8	Very low	45.1	Very low	256 Å²	256	150 Å²	150	97%	0.966	80%	0.799	S	S	*	*				41.7	120.6	113.1	-141.8	-179.3	-154.1	175.4	5.5	120.6
417	G	41.2	Very low	45.3	Very low	65 Å²	65	150.3 Å²	150.3	67%	0.67	80%	0.802	S	S	*	*			trans	166.5	97	157.9	0	0	0	0	0	111.8
418	I	47.3	Very low	45.5	Very low	169 Å²	169	153 Å²	153	87%	0.867	81%	0.805	S	S	*	*				59.7	110.8	106.8	-57.9	170.9	0	0	0	114.9
419	S	43	Very low	45.8	Very low	115 Å²	115	152.3 Å²	152.3	80%	0.804	81%	0.813	S	S	*	*				160.9	130.6	121.7	58.1	0	0	0	0	113.1
420	Q	46.5	Very low	45.7	Very low	183 Å²	183	153.8 Å²	153.8	86%	0.855	81%	0.812	S	S	*	*			trans	-63	-173.4	166.6	-75	179.3	-39.6	0	0	112.2
421	P	48.2	Very low	46.1	Very low	105 Å²	105	151.9 Å²	151.9	68%	0.682	81%	0.811	S	S	*	*			cis	-146.8	176.2	13.9	40	-16.7	0	0	0	118.7
422	E	42.7	Very low	46.1	Very low	179 Å²	179	154 Å²	154	84%	0.836	82%	0.817	S	S	*	*			trans	60.6	123.2	138.5	-166.3	171	-171.7	0	0	121.9
423	K	52.6	Low	46.4	Very low	207 Å²	207	154.2 Å²	154.2	90%	0.9	82%	0.817	S	S	*	*			trans	-167.6	113.3	142.6	-108.4	170.4	-171.7	-178.3	0	111.8
424	E	50.3	Low	46.7	Very low	185 Å²	185	157.5 Å²	157.5	86%	0.864	82%	0.819	S	S	*	*			trans	-108.2	147.4	159	-164.6	175.2	-146	0	0	107.4
425	P	57.8	Low	46.9	Very low	126 Å²	126	154.7 Å²	154.7	82%	0.818	82%	0.818	S	S	*	*			trans	-133.2	149.7	153	27.2	-9	0	0	0	114.6
426	L	45.1	Very low	47.2	Very low	173 Å²	173	153.5 Å²	153.5	91%	0.906	82%	0.822	S	S	*	*			trans	-76	158.7	-177.9	-70.7	153.3	0	0	0	115.2
427	A	47.5	Very low	47.4	Very low	88 Å²	88	153.1 Å²	153.1	73%	0.727	82%	0.82	S	S	*	*			trans	97	117.7	136.8	0	0	0	0	0	122.7
428	H	44.9	Very low	47.8	Very low	182 Å²	182	161.7 Å²	161.7	84%	0.843	85%	0.85	S	S	*	*			trans	45.1	125.4	137.3	-77.5	-75.3	0	0	0	123.6
429	G	50.3	Low	47.9	Very low	79 Å²	79	161.4 Å²	161.4	81%	0.814	85%	0.849	S	S	*	*			trans	-136.2	109.9	152.7	0	0	0	0	0	111.3
430	Y	42.8	Very low	48.1	Very low	211 Å²	211	163.8 Å²	163.8	83%	0.827	85%	0.851	S	S	*	*			trans	-78.3	133.2	165.4	-110.9	-95.4	0	0	0	108.9
431	G	52.5	Low	48.2	Very low	75 Å²	75	162.7 Å²	162.7	77%	0.773	85%	0.851	S	S	*	*			trans	-135.7	93.4	172.7	0	0	0	0	0	110.9
432	N	45.4	Very low	48.2	Very low	149 Å²	149	166.1 Å²	166.1	80%	0.797	86%	0.861	S	S	*	*			trans	-74.9	128.7	164.9	-85.3	-33.6	0	0	0	109.2
433	Y	52.3	Low	48.6	Very low	240 Å²	240	165.3 Å²	165.3	94%	0.941	86%	0.862	S	S	*	*			trans	-113.1	106.8	159.7	-118.4	-94.3	0	0	0	109
434	R	45.7	Very low	48.3	Very low	212 Å²	212	162.5 Å²	162.5	80%	0.8	86%	0.86	S	S	*	*			trans	-49.3	161.8	147.7	-77.9	176.8	170.8	168.5	-4.7	109.6
435	D	47.1	Very low	48.1	Very low	152 Å²	152	160.9 Å²	160.9	81%	0.813	86%	0.859	S	S	*	*			cis	-172.1	163	11.2	-117.3	-37.6	0	0	0	104.4
436	G	45.7	Very low	47.4	Very low	73 Å²	73	163.6 Å²	163.6	75%	0.753	86%	0.863	S	S	*	*			trans	145.5	79.3	157.6	0	0	0	0	0	116.1
437	R	46.9	Very low	47.6	Very low	247 Å²	247	162.8 Å²	162.8	93%	0.932	86%	0.859	S	S	*	*			trans	-58.2	133	156.6	-80.7	174.7	175.5	150.2	-1.7	110.6
438	L	50	Low	47.6	Very low	246 Å²	246	169.6 Å²	169.6	100%	1.288	87%	0.871	S	S	*	*				-164.2	0	119.5	-101.5	165.3	0	0	0	109.2

Retrieved 438 of 438 residues in 143.7 ms (Link to these results)

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