A0A077ZIR8_TRITR Loading...

LIM domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIR8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 168 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	28.3	Very low	32.8	Very low	248 Å²	248	152.3 Å²	152.3	100%	1.222	79%	0.786	S	S	*	*				0	117.6	0	-79.2	169.4	146.4	0	0	107.2
2	S	32.2	Very low	32.8	Very low	116 Å²	116	150.3 Å²	150.3	81%	0.811	78%	0.778	S	S	*	*			trans	-161.5	86.9	163	44.4	0	0	0	0	107.5
3	E	31.4	Very low	33.3	Very low	200 Å²	200	150.6 Å²	150.6	94%	0.935	77%	0.765	S	S	*	*			trans	-68.7	122.2	162	-66.3	170.3	146.9	0	0	106.8
4	S	32.3	Very low	33.5	Very low	99 Å²	99	147.1 Å²	147.1	69%	0.692	76%	0.761	S	S	*	*			trans	-125.2	95.4	168.9	48.3	0	0	0	0	109	L6	S4-L6 PolarHBondContact O-N 3.13Å
5	Y	26.4	Very low	34.1	Very low	203 Å²	203	139 Å²	139	80%	0.796	72%	0.721	S	S	*	*			trans	-73.5	95.5	163.6	-117.2	-95.2	0	0	0	107.4
6	L	31.4	Very low	34.7	Very low	141 Å²	141	135.7 Å²	135.7	74%	0.738	71%	0.711	S	S	*	*			trans	-99.1	96.7	172.3	-87.2	149.7	0	0	0	108.8	S4	S4-L6 PolarHBondContact O-N 3.13Å
7	K	31.4	Very low	35.2	Very low	180 Å²	180	141.9 Å²	141.9	78%	0.783	72%	0.723	S	S	*	*			trans	-89.9	117.6	158.6	-70.3	-175.2	179	-177.6	0	107.5
8	R	28.5	Very low	36.2	Very low	230 Å²	230	137.5 Å²	137.5	87%	0.868	71%	0.707	S	S	*	*			trans	-145.7	139.6	154.7	-70.4	-164.2	-174.6	-172.1	1.3	110.9
9	S	34.8	Very low	37	Very low	83 Å²	83	137.9 Å²	137.9	58%	0.58	71%	0.711	S	S	*	*			trans	-71.4	154.8	-171.4	42.6	0	0	0	0	113.3	S11	S9-S11 PolarHBondContact O-N 3.36Å; S9-S11 PolarHBondContact OG-OG 3.36Å; S9-S11 VanDerWaalsContact OG-OG 3.07Å
10	S	42.1	Very low	38.1	Very low	92 Å²	92	133 Å²	133	64%	0.643	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-70.3	-0.2	171.4	37.7	0	0	0	0	114.2	D12	S10-D12 VanDerWaalsContact C-N 3.29Å; S10-D12 PolarHBondContact O-N 3.22Å
11	S	42.2	Very low	39.5	Very low	83 Å²	83	129.7 Å²	129.7	58%	0.58	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-68.7	-19.8	-174.3	55.9	0	0	0	0	115.2	S9	S9-S11 PolarHBondContact O-N 3.36Å; S9-S11 PolarHBondContact OG-OG 3.36Å; S9-S11 VanDerWaalsContact OG-OG 3.07Å
12	D	33.1	Very low	41.7	Very low	129 Å²	129	125.9 Å²	125.9	69%	0.69	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-101.2	2.3	-167.1	-61.5	-1.7	0	0	0	113.4	S10 S14	S10-D12 VanDerWaalsContact C-N 3.29Å; S10-D12 PolarHBondContact O-N 3.22Å; D12-S14 PolarHBondContact O-N 3.04Å
13	Y	38.7	Very low	44	Very low	154 Å²	154	128.9 Å²	128.9	60%	0.604	65%	0.648	S	S	*	*			trans	-82.8	76	173.7	-153.2	-98	0	0	0	110.4	P15 F96	Y13-P15 HydrophobicContact CD1-CG 4.28Å; Y13-P15 HydrophobicContact CE1-CB 4.42Å; Y13-P15 HydrophobicContact CE1-CG 4.32Å; Y13-P15 WeakPolarHBondContact O-CD 3.39Å; Y13-F96 AromaticContact CE1-CD1 3.98Å; Y13-F96 HydrophobicContact CE1-CD1 3.98Å; Y13-F96 AromaticContact CE1-CE1 3.8Å; Y13-F96 HydrophobicContact CE1-CE1 3.8Å
14	S	35.7	Very low	46.1	Very low	102 Å²	102	122 Å²	122	71%	0.713	62%	0.62	S	S	*	*			trans	-73.9	113.5	153.6	-65.6	0	0	0	0	106.7	D12	D12-S14 PolarHBondContact O-N 3.04Å
15	P	43	Very low	48.4	Very low	25 Å²	25	120.5 Å²	120.5	16%	0.162	60%	0.603	C	S	.	*			trans	-57.8	150.9	172.1	-18.6	33.9	0	0	0	108.1	Y13 R17 Y80 F92	Y13-P15 HydrophobicContact CD1-CG 4.28Å; Y13-P15 HydrophobicContact CE1-CB 4.42Å; Y13-P15 HydrophobicContact CE1-CG 4.32Å; Y13-P15 WeakPolarHBondContact O-CD 3.39Å; P15-R17 PolarHBondContact O-N 3.49Å; P15-Y80 HydrophobicContact CB-CD1 4.23Å; P15-Y80 HydrophobicContact CB-CE1 3.86Å; P15-Y80 HydrophobicContact CG-CD1 4.28Å; P15-Y80 HydrophobicContact CG-CE1 3.59Å; P15-F92 HydrophobicContact CB-CE1 4.03Å; P15-F92 HydrophobicContact CB-CZ 3.59Å; P15-F92 HydrophobicContact CG-CD1 4.31Å; P15-F92 HydrophobicContact CG-CE1 3.21Å; P15-F92 HydrophobicContact CG-CZ 3.33Å
16	P	43.1	Very low	51	Low	86 Å²	86	118.6 Å²	118.6	56%	0.558	60%	0.596	S	S	*	*			trans	-53	122.6	177.8	-16.7	27.6	0	0	0	107.2	S18	P16-S18 PolarHBondContact O-N 3.29Å
17	R	44.1	Very low	53.5	Low	241 Å²	241	116.5 Å²	116.5	91%	0.909	58%	0.582	S	S	*	*			trans	-61.5	81.2	160.8	-75.3	-178.1	-173.9	-99.8	-1.2	105	P15 D19	P15-R17 PolarHBondContact O-N 3.49Å; R17-D19 PolarHBondContact O-N 3.5Å
18	S	52.3	Low	55.9	Low	63 Å²	63	108.7 Å²	108.7	44%	0.441	55%	0.552	S	S	.	*			trans	3.6	103	178.6	58.3	0	0	0	0	114.2	P16 V20 W56	P16-S18 PolarHBondContact O-N 3.29Å; S18-V20 PolarHBondContact O-N 3.05Å; S18-W56 VanDerWaalsContact OG-CH2 3.3Å; S18-W56 WeakPolarHBondContact OG-CH2 3.38Å; S18-W56 WeakPolarHBondContact OG-CZ2 3.35Å
19	D	51.7	Low	58.6	Low	145 Å²	145	100.3 Å²	100.3	78%	0.775	53%	0.526	S	S	*	.			trans	-65.2	35.5	174.4	-35.8	-21.1	0	0	0	111.7	R17 S21	R17-D19 PolarHBondContact O-N 3.5Å; D19-S21 PolarHBondContact O-N 2.91Å
20	V	59.6	Low	61.1	Low	39 Å²	39	97.3 Å²	97.3	24%	0.236	51%	0.505	C	S	.	.			trans	-81.5	106.6	-178.9	177.7	0	0	0	0	107.6	S18 E22 V24 W56	S18-V20 PolarHBondContact O-N 3.05Å; V20-E22 PolarHBondContact O-N 2.89Å; V20-V24 HydrophobicContact CG1-CB 3.32Å; V20-V24 HydrophobicContact CG1-CG1 3.67Å; V20-V24 HydrophobicContact CG1-CG2 3.73Å; V20-W56 HydrophobicContact CB-CD2 3.78Å; V20-W56 HydrophobicContact CB-CE3 3.45Å; V20-W56 VanDerWaalsContact CB-CE3 3.45Å; V20-W56 HydrophobicContact CB-CH2 3.22Å; V20-W56 HydrophobicContact CB-CZ2 3.64Å; V20-W56 HydrophobicContact CB-CZ3 3.09Å; V20-W56 HydrophobicContact CG1-CD2 3.71Å; V20-W56 HydrophobicContact CG1-CE3 3.11Å; V20-W56 HydrophobicContact CG1-CH2 3.86Å; V20-W56 HydrophobicContact CG1-CZ2 4.41Å; V20-W56 HydrophobicContact CG1-CZ3 3.14Å; V20-W56 HydrophobicContact CG2-CD2 3.37Å; V20-W56 HydrophobicContact CG2-CE3 3.64Å; V20-W56 HydrophobicContact CG2-CG 4.17Å; V20-W56 HydrophobicContact CG2-CH2 3.46Å; V20-W56 VanDerWaalsContact CG2-CH2 3.46Å; V20-W56 HydrophobicContact CG2-CZ2 3.25Å; V20-W56 HydrophobicContact CG2-CZ3 3.64Å
21	S	67	Low	63	Low	64 Å²	64	93.2 Å²	93.2	45%	0.448	48%	0.477	S	S	.	.			trans	-46	139.4	171.9	65.5	0	0	0	0	110.1	D19 R23 V24	D19-S21 PolarHBondContact O-N 2.91Å; S21-R23 PolarHBondContact O-N 3.49Å; S21-V24 PolarHBondContact O-N 3.14Å
22	E	75.7	Confident	64.9	Low	169 Å²	169	91.3 Å²	91.3	79%	0.79	46%	0.46	S	S	*	.	H	α-helix	trans	-44.5	-29.8	170.8	-173.4	178.1	-177.9	0	0	112.3	V20 V24 I25 Y26	V20-E22 PolarHBondContact O-N 2.89Å; E22-V24 PolarHBondContact O-N 2.99Å; E22-I25 WeakPolarHBondContact O-CB 3.46Å; E22-I25 PolarHBondContact O-N 3.46Å; E22-Y26 WeakPolarHBondContact O-CB 3.44Å; E22-Y26 PolarHBondContact O-N 3.35Å
23	R	79.4	Confident	67.2	Low	179 Å²	179	93.7 Å²	93.7	68%	0.675	47%	0.465	S	S	*	.	H	α-helix	trans	-55.3	-45.3	173.7	-174.6	177.2	-178.6	139.8	2.5	114.1	S21 I25 Y26 E27	S21-R23 PolarHBondContact O-N 3.49Å; R23-I25 VanDerWaalsContact C-N 3.32Å; R23-Y26 PolarHBondContact O-N 3.46Å; R23-E27 HydrophobicContact CG-CG 4.43Å; R23-E27 WeakPolarHBondContact CG-OE1 3.36Å; R23-E27 IonicContact CZ-OE1 3.68Å; R23-E27 IonicContact NE-OE1 2.88Å; R23-E27 PolarHBondContact NE-OE1 3.44Å; R23-E27 IonicContact NH2-OE1 3.57Å; R23-E27 WeakPolarHBondContact O-CB 3.29Å; R23-E27 WeakPolarHBondContact O-CG 3.23Å; R23-E27 PolarHBondContact O-N 2.86Å
24	V	76.7	Confident	69.5	Low	54 Å²	54	95.4 Å²	95.4	33%	0.327	47%	0.47	S	S	.	.	H	α-helix	trans	-68.2	-37.9	-179.3	175.4	0	0	0	0	110.3	V20 S21 E22 A28 W56	V20-V24 HydrophobicContact CG1-CB 3.32Å; V20-V24 HydrophobicContact CG1-CG1 3.67Å; V20-V24 HydrophobicContact CG1-CG2 3.73Å; S21-V24 PolarHBondContact O-N 3.14Å; E22-V24 PolarHBondContact O-N 2.99Å; V24-A28 WeakPolarHBondContact O-CB 3.18Å; V24-A28 PolarHBondContact O-N 3.18Å; V24-W56 HydrophobicContact CG1-CB 4.35Å; V24-W56 HydrophobicContact CG1-CE3 4.35Å
25	I	78.8	Confident	71.8	Confident	68 Å²	68	91.2 Å²	91.2	35%	0.349	44%	0.443	S	S	.	.	H	α-helix	trans	-62.3	-47.8	174	-55.5	178.9	0	0	0	109.2	E22 R23 E27 A28 V29 F53 W56	E22-I25 WeakPolarHBondContact O-CB 3.46Å; E22-I25 PolarHBondContact O-N 3.46Å; R23-I25 VanDerWaalsContact C-N 3.32Å; I25-E27 PolarHBondContact O-N 3.09Å; I25-A28 PolarHBondContact O-N 3.06Å; I25-V29 HydrophobicContact CG2-CG2 4.31Å; I25-V29 WeakPolarHBondContact O-CB 3.36Å; I25-V29 VanDerWaalsContact O-CG2 3.26Å; I25-V29 WeakPolarHBondContact O-CG2 3.46Å; I25-V29 PolarHBondContact O-N 3.5Å; I25-F53 HydrophobicContact CB-CE1 4.47Å; I25-F53 HydrophobicContact CG1-CE1 3.97Å; I25-F53 HydrophobicContact CG1-CZ 4.38Å; I25-F53 HydrophobicContact CG2-CE1 4.32Å; I25-W56 HydrophobicContact CD1-CZ3 4.3Å; I25-W56 HydrophobicContact CG1-CE3 4.49Å; I25-W56 HydrophobicContact CG1-CZ3 4.02Å
26	Y	82.7	Confident	73.8	Confident	163 Å²	163	94 Å²	94	64%	0.639	46%	0.462	S	S	*	.	H	α-helix	trans	-60.7	-44.6	178.9	-178.3	-91.9	0	0	0	112.8	E22 R23 V29 S30	E22-Y26 WeakPolarHBondContact O-CB 3.44Å; E22-Y26 PolarHBondContact O-N 3.35Å; R23-Y26 PolarHBondContact O-N 3.46Å; Y26-V29 PolarHBondContact O-N 3.37Å; Y26-S30 WeakPolarHBondContact CE1-OG 3.49Å; Y26-S30 VanDerWaalsContact O-CB 3.27Å; Y26-S30 WeakPolarHBondContact O-CB 3.36Å; Y26-S30 PolarHBondContact O-N 3.06Å; Y26-S30 PolarHBondContact O-OG 3.34Å
27	E	83.3	Confident	76.1	Confident	97 Å²	97	92.1 Å²	92.1	45%	0.453	45%	0.447	S	S	.	.	H	α-helix	trans	-63.7	-42.1	177.8	-75.6	173.9	-175	0	0	111.2	R23 I25 S30 G31	R23-E27 HydrophobicContact CG-CG 4.43Å; R23-E27 WeakPolarHBondContact CG-OE1 3.36Å; R23-E27 IonicContact CZ-OE1 3.68Å; R23-E27 IonicContact NE-OE1 2.88Å; R23-E27 PolarHBondContact NE-OE1 3.44Å; R23-E27 IonicContact NH2-OE1 3.57Å; R23-E27 WeakPolarHBondContact O-CB 3.29Å; R23-E27 WeakPolarHBondContact O-CG 3.23Å; R23-E27 PolarHBondContact O-N 2.86Å; I25-E27 PolarHBondContact O-N 3.09Å; E27-S30 PolarHBondContact O-N 3.39Å; E27-G31 PolarHBondContact O-N 2.9Å
28	A	81.2	Confident	78.5	Confident	17 Å²	17	87.8 Å²	87.8	14%	0.14	43%	0.431	C	S	.	.	H	α-helix	trans	-64	-48.8	175.2	0	0	0	0	0	111.6	V24 I25 S30 G31 L32 L37 F53 F58	V24-A28 WeakPolarHBondContact O-CB 3.18Å; V24-A28 PolarHBondContact O-N 3.18Å; I25-A28 PolarHBondContact O-N 3.06Å; A28-S30 VanDerWaalsContact C-N 3.27Å; A28-S30 PolarHBondContact O-N 3.23Å; A28-G31 PolarHBondContact O-N 2.92Å; A28-G31 VanDerWaalsContact O-N 3.12Å; A28-L32 PolarHBondContact O-N 3.28Å; A28-L37 WeakPolarHBondContact O-CD1 3.42Å; A28-F53 HydrophobicContact CB-CD2 4.29Å; A28-F53 HydrophobicContact CB-CE2 3.42Å; A28-F53 VanDerWaalsContact CB-CE2 3.42Å; A28-F53 HydrophobicContact CB-CZ 4.02Å; A28-F58 VanDerWaalsContact C-CE2 3.49Å; A28-F58 HydrophobicContact CB-CD2 4.3Å; A28-F58 HydrophobicContact CB-CE2 3.75Å; A28-F58 WeakPolarHBondContact O-CE2 3.31Å
29	V	85.5	Confident	80.5	Confident	53 Å²	53	84.8 Å²	84.8	32%	0.321	41%	0.41	S	S	.	.	H	α-helix	trans	-60.9	-39.1	178.4	171.8	0	0	0	0	110.9	I25 Y26 G31 L32 K33 F58	I25-V29 HydrophobicContact CG2-CG2 4.31Å; I25-V29 WeakPolarHBondContact O-CB 3.36Å; I25-V29 VanDerWaalsContact O-CG2 3.26Å; I25-V29 WeakPolarHBondContact O-CG2 3.46Å; I25-V29 PolarHBondContact O-N 3.5Å; Y26-V29 PolarHBondContact O-N 3.37Å; V29-G31 VanDerWaalsContact C-N 3.34Å; V29-L32 WeakPolarHBondContact O-CB 3.43Å; V29-L32 PolarHBondContact O-N 3.14Å; V29-K33 PolarHBondContact O-N 3.04Å; V29-K33 VanDerWaalsContact O-N 3.11Å; V29-F58 HydrophobicContact CG2-CE2 4.46Å; V29-F58 HydrophobicContact CG2-CZ 3.9Å
30	S	86.4	Confident	82.5	Confident	20 Å²	20	80.4 Å²	80.4	14%	0.14	39%	0.389	C	S	.	.	H	α-helix	trans	-63.6	-39.2	175.4	-63.6	0	0	0	0	112.2	Y26 E27 A28 L32 K33 R34	Y26-S30 WeakPolarHBondContact CE1-OG 3.49Å; Y26-S30 VanDerWaalsContact O-CB 3.27Å; Y26-S30 WeakPolarHBondContact O-CB 3.36Å; Y26-S30 PolarHBondContact O-N 3.06Å; Y26-S30 PolarHBondContact O-OG 3.34Å; E27-S30 PolarHBondContact O-N 3.39Å; A28-S30 VanDerWaalsContact C-N 3.27Å; A28-S30 PolarHBondContact O-N 3.23Å; S30-L32 VanDerWaalsContact C-N 3.34Å; S30-K33 PolarHBondContact O-N 3.46Å; S30-R34 WeakPolarHBondContact O-CG 3.46Å; S30-R34 PolarHBondContact O-N 3.28Å
31	G	82.4	Confident	84.1	Confident	7 Å²	7	84.3 Å²	84.3	7%	0.072	40%	0.401	C	S	.	.	H	α-helix	trans	-61	-41.5	172.2	0	0	0	0	0	112.3	E27 A28 V29 K33 R34 C36	E27-G31 PolarHBondContact O-N 2.9Å; A28-G31 PolarHBondContact O-N 2.92Å; A28-G31 VanDerWaalsContact O-N 3.12Å; V29-G31 VanDerWaalsContact C-N 3.34Å; G31-K33 PolarHBondContact O-N 3.4Å; G31-R34 PolarHBondContact O-N 3.3Å; G31-C36 PolarHBondContact O-SG 3.13Å; G31-C36 VanDerWaalsContact O-SG 3.39Å
32	L	82	Confident	85.5	Confident	43 Å²	43	84 Å²	84	23%	0.225	40%	0.397	C	S	.	.	H	α-helix	trans	-62.1	-43.9	178.7	-170.5	66.1	0	0	0	111.4	A28 V29 S30 R34 G35 L37 L46 F58	A28-L32 PolarHBondContact O-N 3.28Å; V29-L32 WeakPolarHBondContact O-CB 3.43Å; V29-L32 PolarHBondContact O-N 3.14Å; S30-L32 VanDerWaalsContact C-N 3.34Å; L32-R34 PolarHBondContact O-N 3.16Å; L32-G35 PolarHBondContact O-N 2.92Å; L32-G35 VanDerWaalsContact O-N 3.09Å; L32-L37 HydrophobicContact CB-CD1 3.81Å; L32-L37 HydrophobicContact CD1-CD1 4.24Å; L32-L37 VanDerWaalsContact N-CD1 3.27Å; L32-L46 HydrophobicContact CD1-CB 3.93Å; L32-F58 HydrophobicContact CB-CD2 4.38Å; L32-F58 HydrophobicContact CB-CE2 4.2Å; L32-F58 HydrophobicContact CB-CZ 4.45Å; L32-F58 HydrophobicContact CD1-CG 4.38Å; L32-F58 HydrophobicContact CD2-CD1 3.89Å; L32-F58 HydrophobicContact CD2-CE1 3.67Å; L32-F58 HydrophobicContact CD2-CE2 4.4Å; L32-F58 HydrophobicContact CD2-CG 4.34Å; L32-F58 HydrophobicContact CD2-CZ 3.95Å
33	K	82.9	Confident	86.4	Confident	179 Å²	179	81 Å²	81	78%	0.778	39%	0.387	S	S	*	.	H	α-helix	trans	-63.4	-27.4	176.9	-71.5	-177	179.3	-178.7	0	113.7	V29 S30 G31 G35	V29-K33 PolarHBondContact O-N 3.04Å; V29-K33 VanDerWaalsContact O-N 3.11Å; S30-K33 PolarHBondContact O-N 3.46Å; G31-K33 PolarHBondContact O-N 3.4Å; K33-G35 PolarHBondContact O-N 3.12Å
34	R	86.8	Confident	87.2	Confident	189 Å²	189	73.5 Å²	73.5	71%	0.713	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	1	176.9	-69.4	175.4	-174.5	141.2	0.5	113.1	S30 G31 L32 C36	S30-R34 WeakPolarHBondContact O-CG 3.46Å; S30-R34 PolarHBondContact O-N 3.28Å; G31-R34 PolarHBondContact O-N 3.3Å; L32-R34 PolarHBondContact O-N 3.16Å; R34-C36 PolarHBondContact O-N 3.48Å; R34-C36 VanDerWaalsContact O-N 3.09Å
35	G	83.6	Confident	88	Confident	14 Å²	14	73 Å²	73	14%	0.144	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	7.4	-179.5	0	0	0	0	0	114.5	L32 K33	L32-G35 PolarHBondContact O-N 2.92Å; L32-G35 VanDerWaalsContact O-N 3.09Å; K33-G35 PolarHBondContact O-N 3.12Å
36	C	84.7	Confident	88.8	Confident	85 Å²	85	69.8 Å²	69.8	57%	0.574	35%	0.348	S	S	*	.			trans	-96	6	-170.8	63.3	0	0	0	0	114.4	G31 R34	G31-C36 PolarHBondContact O-SG 3.13Å; G31-C36 VanDerWaalsContact O-SG 3.39Å; R34-C36 PolarHBondContact O-N 3.48Å; R34-C36 VanDerWaalsContact O-N 3.09Å
37	L	91	Very high	89.2	Confident	46 Å²	46	67.9 Å²	67.9	24%	0.241	35%	0.345	C	S	.	.			trans	-93	140	179	-62.4	-175.5	0	0	0	112.4	A28 L32 L46 F58	A28-L37 WeakPolarHBondContact O-CD1 3.42Å; L32-L37 HydrophobicContact CB-CD1 3.81Å; L32-L37 HydrophobicContact CD1-CD1 4.24Å; L32-L37 VanDerWaalsContact N-CD1 3.27Å; L37-L46 HydrophobicContact CB-CD1 3.84Å; L37-L46 PolarHBondContact O-N 2.81Å; L37-L46 VanDerWaalsContact O-N 3.1Å; L37-F58 HydrophobicContact CD1-CB 4.44Å; L37-F58 HydrophobicContact CD1-CD2 3.53Å; L37-F58 HydrophobicContact CD1-CE2 4.2Å; L37-F58 HydrophobicContact CD1-CG 4.3Å
38	R	94.2	Very high	89.4	Confident	150 Å²	150	67.6 Å²	67.6	57%	0.566	37%	0.367	S	S	*	.	B	Isolated β-bridge	trans	-115.9	143.6	175.8	-66.7	179.1	178.5	-83	-3.7	109.8	P40 N43 G44	R38-P40 WeakPolarHBondContact O-CD 3.44Å; R38-N43 WeakPolarHBondContact CD-O 3.22Å; R38-N43 VanDerWaalsContact CD-OD1 3.26Å; R38-N43 WeakPolarHBondContact CD-OD1 3.45Å; R38-N43 PolarHBondContact NH1-O 3.25Å; R38-G44 WeakPolarHBondContact CA-O 3.25Å
39	C	95.4	Very high	89.9	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	38%	0.383	C	S	.	.			trans	-62.7	124.6	174.3	178.4	0	0	0	0	109.6	Y41 N43 G44 L46 H60	C39-Y41 PolarHBondContact O-N 3.43Å; C39-Y41 VanDerWaalsContact O-N 3.11Å; C39-N43 WeakPolarHBondContact O-CA 3.27Å; C39-N43 PolarHBondContact O-N 2.98Å; C39-G44 PolarHBondContact N-O 2.94Å; C39-L46 HydrophobicContact CB-CD2 3.86Å; C39-L46 HydrophobicContact CB-CG 4.27Å; C39-H60 VanDerWaalsContact CB-CE1 3.47Å; C39-H60 WeakPolarHBondContact CB-CE1 3.34Å; C39-H60 VanDerWaalsContact CB-ND1 3.26Å; C39-H60 WeakPolarHBondContact CB-ND1 3.31Å; C39-H60 PolarHBondContact SG-ND1 3.49Å; C39-H60 VanDerWaalsContact SG-ND1 3.43Å
40	P	93	Very high	90.2	Very high	52 Å²	52	75.9 Å²	75.9	34%	0.338	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.5	179.7	-26.9	35.1	0	0	0	114.8	R38 K57 F58 Y59 M85	R38-P40 WeakPolarHBondContact O-CD 3.44Å; P40-K57 HydrophobicContact CG-CB 4.14Å; P40-K57 HydrophobicContact CG-CD 3.88Å; P40-F58 WeakPolarHBondContact CD-O 3.41Å; P40-Y59 HydrophobicContact CB-CD1 4.43Å; P40-Y59 HydrophobicContact CB-CE1 3.7Å; P40-Y59 HydrophobicContact CG-CD1 4.22Å; P40-Y59 HydrophobicContact CG-CE1 3.67Å; P40-Y59 HydrophobicContact CG-CE2 4.38Å; P40-M85 HydrophobicContact CB-SD 4.46Å
41	Y	94.4	Very high	90.4	Very high	122 Å²	122	76.6 Å²	76.6	48%	0.478	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-54.6	179.9	-178.5	-99.5	0	0	0	113	C39 H63 F65	C39-Y41 PolarHBondContact O-N 3.43Å; C39-Y41 VanDerWaalsContact O-N 3.11Å; Y41-H63 HydrophobicContact CD1-CB 3.79Å; Y41-H63 AromaticContact CD1-CD2 3.7Å; Y41-H63 AromaticContact CD1-CG 3.47Å; Y41-H63 VanDerWaalsContact CD1-CG 3.47Å; Y41-H63 AromaticContact CD1-ND1 3.69Å; Y41-H63 AromaticContact CE1-CD2 3.95Å; Y41-H63 HydrophobicContact CG-CB 3.98Å; Y41-F65 HydrophobicContact CD1-CE2 4.3Å; Y41-F65 AromaticContact CD2-CD2 3.74Å; Y41-F65 HydrophobicContact CD2-CD2 3.74Å; Y41-F65 HydrophobicContact CD2-CE2 4.15Å; Y41-F65 HydrophobicContact CE1-CD2 4.45Å; Y41-F65 AromaticContact CE1-CE2 3.9Å; Y41-F65 HydrophobicContact CE1-CE2 3.9Å; Y41-F65 AromaticContact CE2-CD2 3.49Å; Y41-F65 HydrophobicContact CE2-CD2 3.49Å; Y41-F65 VanDerWaalsContact CE2-CD2 3.49Å; Y41-F65 AromaticContact CE2-CE2 3.73Å; Y41-F65 HydrophobicContact CE2-CE2 3.73Å; Y41-F65 HydrophobicContact CG-CD2 4.33Å; Y41-F65 HydrophobicContact CG-CE2 4.41Å; Y41-F65 AromaticContact CZ-CD2 3.89Å; Y41-F65 AromaticContact CZ-CE2 3.59Å
42	C	95.7	Very high	90.9	Very high	56 Å²	56	77.5 Å²	77.5	38%	0.378	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-4.2	-174.7	71.1	0	0	0	0	114.5	G44 H60 H63	C42-G44 PolarHBondContact O-N 2.79Å; C42-G44 PolarHBondContact SG-N 3.06Å; C42-G44 VanDerWaalsContact SG-N 3.42Å; C42-H60 PolarHBondContact SG-CE1 3.5Å; C42-H60 PolarHBondContact SG-ND1 2.98Å; C42-H60 VanDerWaalsContact SG-ND1 3.37Å; C42-H63 VanDerWaalsContact CB-CE1 3.48Å; C42-H63 WeakPolarHBondContact CB-CE1 3.34Å; C42-H63 PolarHBondContact SG-CE1 3.13Å; C42-H63 PolarHBondContact SG-ND1 2.85Å
43	N	94.8	Very high	91.3	Very high	107 Å²	107	78.6 Å²	78.6	57%	0.572	42%	0.415	S	S	*	.			trans	58.5	8.2	-174.5	-160	33.7	0	0	0	115.6	R38 C39	R38-N43 WeakPolarHBondContact CD-O 3.22Å; R38-N43 VanDerWaalsContact CD-OD1 3.26Å; R38-N43 WeakPolarHBondContact CD-OD1 3.45Å; R38-N43 PolarHBondContact NH1-O 3.25Å; C39-N43 WeakPolarHBondContact O-CA 3.27Å; C39-N43 PolarHBondContact O-N 2.98Å
44	G	95.8	Very high	91.6	Very high	22 Å²	22	71 Å²	71	23%	0.227	38%	0.384	C	S	.	.			trans	-72.7	152.6	175.5	0	0	0	0	0	112.5	R38 C39 C42	R38-G44 WeakPolarHBondContact CA-O 3.25Å; C39-G44 PolarHBondContact N-O 2.94Å; C42-G44 PolarHBondContact O-N 2.79Å; C42-G44 PolarHBondContact SG-N 3.06Å; C42-G44 VanDerWaalsContact SG-N 3.42Å
45	S	94.1	Very high	91.5	Very high	42 Å²	42	62.8 Å²	62.8	29%	0.294	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-60.6	137.6	174.7	-178	0	0	0	0	110.9	E47 K49 H60	S45-E47 WeakPolarHBondContact OG-CB 3.43Å; S45-E47 PolarHBondContact OG-N 2.87Å; S45-K49 WeakPolarHBondContact O-CD 3.26Å; S45-K49 WeakPolarHBondContact O-CE 3.48Å; S45-K49 PolarHBondContact O-NZ 2.93Å; S45-H60 PolarHBondContact O-NE2 3.32Å
46	L	94.3	Very high	91.6	Very high	2 Å²	2	65.3 Å²	65.3	1%	0.01	36%	0.36	C	S	.	.			trans	-92.6	-7.8	174.8	-69	167	0	0	0	112.7	L32 L37 C39 G48 K49 T51 F58	L32-L46 HydrophobicContact CD1-CB 3.93Å; L37-L46 HydrophobicContact CB-CD1 3.84Å; L37-L46 PolarHBondContact O-N 2.81Å; L37-L46 VanDerWaalsContact O-N 3.1Å; C39-L46 HydrophobicContact CB-CD2 3.86Å; C39-L46 HydrophobicContact CB-CG 4.27Å; L46-G48 PolarHBondContact O-N 3.31Å; L46-K49 PolarHBondContact O-N 3.36Å; L46-T51 HydrophobicContact CB-CG2 3.96Å; L46-T51 HydrophobicContact CD2-CG2 3.52Å; L46-T51 HydrophobicContact CG-CG2 4.25Å; L46-F58 HydrophobicContact CD1-CB 3.62Å; L46-F58 WeakPolarHBondContact CD1-O 3.39Å
47	E	91.1	Very high	91.8	Very high	123 Å²	123	65.2 Å²	65.2	58%	0.575	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	130.2	-178.1	-170.9	176.9	-172.7	0	0	111.6	S45 K49	S45-E47 WeakPolarHBondContact OG-CB 3.43Å; S45-E47 PolarHBondContact OG-N 2.87Å; E47-K49 PolarHBondContact O-N 3.48Å
48	G	88.7	Confident	91.9	Very high	90 Å²	90	64 Å²	64	93%	0.928	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	8.6	179	0	0	0	0	0	115.3	L46	L46-G48 PolarHBondContact O-N 3.31Å
49	K	90.6	Very high	91.9	Very high	108 Å²	108	56.9 Å²	56.9	47%	0.47	32%	0.316	S	S	.	.	S	Bend	trans	-108.4	159.5	-179.3	-64.9	177.7	-174.7	169.7	0	111.9	S45 L46 E47 T51 H60	S45-K49 WeakPolarHBondContact O-CD 3.26Å; S45-K49 WeakPolarHBondContact O-CE 3.48Å; S45-K49 PolarHBondContact O-NZ 2.93Å; L46-K49 PolarHBondContact O-N 3.36Å; E47-K49 PolarHBondContact O-N 3.48Å; K49-T51 PolarHBondContact O-N 2.73Å; K49-H60 WeakPolarHBondContact CD-NE2 3.39Å; K49-H60 PolarHBondContact NZ-NE2 2.73Å
50	L	91.4	Very high	92	Very high	136 Å²	136	58 Å²	58	71%	0.712	32%	0.321	S	S	*	.			trans	-67.9	129.3	168.2	-62.8	178.6	0	0	0	109.5	L61	L50-L61 HydrophobicContact CB-CD1 3.78Å; L50-L61 HydrophobicContact CB-CG 4.13Å; L50-L61 HydrophobicContact CD1-CD1 4.19Å
51	T	92.5	Very high	92	Very high	36 Å²	36	59.3 Å²	59.3	22%	0.221	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	152.6	-176.6	63	0	0	0	0	111.1	L46 K49 Y59	L46-T51 HydrophobicContact CB-CG2 3.96Å; L46-T51 HydrophobicContact CD2-CG2 3.52Å; L46-T51 HydrophobicContact CG-CG2 4.25Å; K49-T51 PolarHBondContact O-N 2.73Å; T51-Y59 CarbonylContact C-O 3.59Å; T51-Y59 WeakPolarHBondContact CA-O 3.43Å; T51-Y59 VanDerWaalsContact CB-O 3.27Å; T51-Y59 WeakPolarHBondContact CB-O 3.21Å
52	A	91.6	Very high	92	Very high	26 Å²	26	59 Å²	59	22%	0.215	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	142.6	171.2	0	0	0	0	0	110	V54 F58 Y59 L61 I64	A52-V54 HydrophobicContact CB-CG2 4.11Å; A52-F58 WeakPolarHBondContact O-CA 3.5Å; A52-Y59 PolarHBondContact N-O 2.91Å; A52-Y59 PolarHBondContact O-N 2.7Å; A52-L61 HydrophobicContact CB-CD2 3.85Å; A52-I64 HydrophobicContact CB-CD1 3.78Å
53	F	90.3	Very high	92.1	Very high	65 Å²	65	58.7 Å²	58.7	29%	0.285	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	107.4	173	-171.9	-109.3	0	0	0	109.5	I25 A28 W56 K57 F58	I25-F53 HydrophobicContact CB-CE1 4.47Å; I25-F53 HydrophobicContact CG1-CE1 3.97Å; I25-F53 HydrophobicContact CG1-CZ 4.38Å; I25-F53 HydrophobicContact CG2-CE1 4.32Å; A28-F53 HydrophobicContact CB-CD2 4.29Å; A28-F53 HydrophobicContact CB-CE2 3.42Å; A28-F53 VanDerWaalsContact CB-CE2 3.42Å; A28-F53 HydrophobicContact CB-CZ 4.02Å; F53-W56 AromaticContact CE1-CE3 3.77Å; F53-W56 HydrophobicContact CE1-CE3 3.77Å; F53-W56 HydrophobicContact CE1-CZ3 4.02Å; F53-W56 VanDerWaalsContact CZ-CA 3.44Å; F53-W56 HydrophobicContact CZ-CB 4.42Å; F53-W56 AromaticContact CZ-CE3 3.9Å; F53-W56 HydrophobicContact CZ-CE3 3.9Å; F53-K57 WeakPolarHBondContact CA-O 3.2Å; F53-F58 HydrophobicContact CB-CD1 4.11Å; F53-F58 HydrophobicContact CB-CE1 3.72Å; F53-F58 HydrophobicContact CB-CZ 4.07Å; F53-F58 HydrophobicContact CD2-CD1 4.24Å; F53-F58 AromaticContact CD2-CD2 3.82Å; F53-F58 HydrophobicContact CD2-CD2 3.82Å; F53-F58 HydrophobicContact CD2-CE1 4.01Å; F53-F58 AromaticContact CD2-CE2 3.55Å; F53-F58 HydrophobicContact CD2-CE2 3.55Å; F53-F58 HydrophobicContact CD2-CG 4.16Å; F53-F58 AromaticContact CD2-CZ 3.65Å; F53-F58 HydrophobicContact CD2-CZ 3.65Å; F53-F58 HydrophobicContact CE2-CD2 4.35Å; F53-F58 HydrophobicContact CE2-CE2 4.03Å; F53-F58 HydrophobicContact CE2-CZ 4.46Å; F53-F58 HydrophobicContact CG-CE1 4.28Å; F53-F58 HydrophobicContact CG-CE2 4.48Å; F53-F58 HydrophobicContact CG-CZ 4.17Å
54	V	89.6	Confident	92.1	Very high	21 Å²	21	54.2 Å²	54.2	13%	0.127	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131	-175.3	-177.4	0	0	0	0	108.4	A52 W56 K57 Y59 I64 C79 P86	A52-V54 HydrophobicContact CB-CG2 4.11Å; V54-W56 PolarHBondContact O-N 3.26Å; V54-K57 PolarHBondContact N-O 3.07Å; V54-K57 PolarHBondContact O-N 2.92Å; V54-K57 VanDerWaalsContact O-O 3.08Å; V54-Y59 HydrophobicContact CB-CD2 4.15Å; V54-Y59 HydrophobicContact CB-CE2 4.27Å; V54-Y59 WeakPolarHBondContact O-CE2 3.48Å; V54-I64 HydrophobicContact CB-CG2 4.44Å; V54-I64 HydrophobicContact CG1-CG2 4.16Å; V54-I64 HydrophobicContact CG2-CD1 4.08Å; V54-I64 HydrophobicContact CG2-CG2 4.13Å; V54-C79 HydrophobicContact CG1-CB 4.48Å; V54-P86 HydrophobicContact CG1-CB 4.04Å
55	C	85.6	Confident	92.1	Very high	15 Å²	15	55 Å²	55	10%	0.101	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	43	175.4	-71	0	0	0	0	113.6	N81 P86	C55-N81 HydrophobicContact CB-CB 3.98Å; C55-N81 PolarHBondContact O-ND2 3.34Å; C55-N81 PolarHBondContact SG-N 3.38Å; C55-N81 VanDerWaalsContact SG-N 3.44Å; C55-P86 HydrophobicContact CB-CB 4.47Å
56	W	84	Confident	92	Very high	67 Å²	67	53 Å²	53	25%	0.254	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	12.8	175.8	-36.5	108.6	0	0	0	116.5	S18 V20 V24 I25 F53 V54	S18-W56 VanDerWaalsContact OG-CH2 3.3Å; S18-W56 WeakPolarHBondContact OG-CH2 3.38Å; S18-W56 WeakPolarHBondContact OG-CZ2 3.35Å; V20-W56 HydrophobicContact CB-CD2 3.78Å; V20-W56 HydrophobicContact CB-CE3 3.45Å; V20-W56 VanDerWaalsContact CB-CE3 3.45Å; V20-W56 HydrophobicContact CB-CH2 3.22Å; V20-W56 HydrophobicContact CB-CZ2 3.64Å; V20-W56 HydrophobicContact CB-CZ3 3.09Å; V20-W56 HydrophobicContact CG1-CD2 3.71Å; V20-W56 HydrophobicContact CG1-CE3 3.11Å; V20-W56 HydrophobicContact CG1-CH2 3.86Å; V20-W56 HydrophobicContact CG1-CZ2 4.41Å; V20-W56 HydrophobicContact CG1-CZ3 3.14Å; V20-W56 HydrophobicContact CG2-CD2 3.37Å; V20-W56 HydrophobicContact CG2-CE3 3.64Å; V20-W56 HydrophobicContact CG2-CG 4.17Å; V20-W56 HydrophobicContact CG2-CH2 3.46Å; V20-W56 VanDerWaalsContact CG2-CH2 3.46Å; V20-W56 HydrophobicContact CG2-CZ2 3.25Å; V20-W56 HydrophobicContact CG2-CZ3 3.64Å; V24-W56 HydrophobicContact CG1-CB 4.35Å; V24-W56 HydrophobicContact CG1-CE3 4.35Å; I25-W56 HydrophobicContact CD1-CZ3 4.3Å; I25-W56 HydrophobicContact CG1-CE3 4.49Å; I25-W56 HydrophobicContact CG1-CZ3 4.02Å; F53-W56 AromaticContact CE1-CE3 3.77Å; F53-W56 HydrophobicContact CE1-CE3 3.77Å; F53-W56 HydrophobicContact CE1-CZ3 4.02Å; F53-W56 VanDerWaalsContact CZ-CA 3.44Å; F53-W56 HydrophobicContact CZ-CB 4.42Å; F53-W56 AromaticContact CZ-CE3 3.9Å; F53-W56 HydrophobicContact CZ-CE3 3.9Å; V54-W56 PolarHBondContact O-N 3.26Å
57	K	89.5	Confident	91.7	Very high	84 Å²	84	55.5 Å²	55.5	37%	0.365	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	156.1	179.7	-65	178.1	-179.1	172.2	0	111.1	P40 F53 V54 Y59 G84	P40-K57 HydrophobicContact CG-CB 4.14Å; P40-K57 HydrophobicContact CG-CD 3.88Å; F53-K57 WeakPolarHBondContact CA-O 3.2Å; V54-K57 PolarHBondContact N-O 3.07Å; V54-K57 PolarHBondContact O-N 2.92Å; V54-K57 VanDerWaalsContact O-O 3.08Å; K57-Y59 HydrophobicContact CB-CD2 4.43Å; K57-Y59 HydrophobicContact CB-CE2 3.64Å; K57-Y59 WeakPolarHBondContact O-CD2 3.45Å; K57-G84 WeakPolarHBondContact CE-O 3.48Å; K57-G84 PolarHBondContact NZ-O 2.98Å
58	F	93.2	Very high	91.4	Very high	19 Å²	19	52.9 Å²	52.9	8%	0.083	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	138.7	172.9	-74	-82.6	0	0	0	111.3	A28 V29 L32 L37 P40 L46 A52 F53	A28-F58 VanDerWaalsContact C-CE2 3.49Å; A28-F58 HydrophobicContact CB-CD2 4.3Å; A28-F58 HydrophobicContact CB-CE2 3.75Å; A28-F58 WeakPolarHBondContact O-CE2 3.31Å; V29-F58 HydrophobicContact CG2-CE2 4.46Å; V29-F58 HydrophobicContact CG2-CZ 3.9Å; L32-F58 HydrophobicContact CB-CD2 4.38Å; L32-F58 HydrophobicContact CB-CE2 4.2Å; L32-F58 HydrophobicContact CB-CZ 4.45Å; L32-F58 HydrophobicContact CD1-CG 4.38Å; L32-F58 HydrophobicContact CD2-CD1 3.89Å; L32-F58 HydrophobicContact CD2-CE1 3.67Å; L32-F58 HydrophobicContact CD2-CE2 4.4Å; L32-F58 HydrophobicContact CD2-CG 4.34Å; L32-F58 HydrophobicContact CD2-CZ 3.95Å; L37-F58 HydrophobicContact CD1-CB 4.44Å; L37-F58 HydrophobicContact CD1-CD2 3.53Å; L37-F58 HydrophobicContact CD1-CE2 4.2Å; L37-F58 HydrophobicContact CD1-CG 4.3Å; P40-F58 WeakPolarHBondContact CD-O 3.41Å; L46-F58 HydrophobicContact CD1-CB 3.62Å; L46-F58 WeakPolarHBondContact CD1-O 3.39Å; A52-F58 WeakPolarHBondContact O-CA 3.5Å; F53-F58 HydrophobicContact CB-CD1 4.11Å; F53-F58 HydrophobicContact CB-CE1 3.72Å; F53-F58 HydrophobicContact CB-CZ 4.07Å; F53-F58 HydrophobicContact CD2-CD1 4.24Å; F53-F58 AromaticContact CD2-CD2 3.82Å; F53-F58 HydrophobicContact CD2-CD2 3.82Å; F53-F58 HydrophobicContact CD2-CE1 4.01Å; F53-F58 AromaticContact CD2-CE2 3.55Å; F53-F58 HydrophobicContact CD2-CE2 3.55Å; F53-F58 HydrophobicContact CD2-CG 4.16Å; F53-F58 AromaticContact CD2-CZ 3.65Å; F53-F58 HydrophobicContact CD2-CZ 3.65Å; F53-F58 HydrophobicContact CE2-CD2 4.35Å; F53-F58 HydrophobicContact CE2-CE2 4.03Å; F53-F58 HydrophobicContact CE2-CZ 4.46Å; F53-F58 HydrophobicContact CG-CE1 4.28Å; F53-F58 HydrophobicContact CG-CE2 4.48Å; F53-F58 HydrophobicContact CG-CZ 4.17Å
59	Y	95	Very high	91.3	Very high	2 Å²	2	52 Å²	52	1%	0.008	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	155.1	177.8	-64.8	-100	0	0	0	109.9	P40 T51 A52 V54 K57 H63 I64 P86	P40-Y59 HydrophobicContact CB-CD1 4.43Å; P40-Y59 HydrophobicContact CB-CE1 3.7Å; P40-Y59 HydrophobicContact CG-CD1 4.22Å; P40-Y59 HydrophobicContact CG-CE1 3.67Å; P40-Y59 HydrophobicContact CG-CE2 4.38Å; T51-Y59 CarbonylContact C-O 3.59Å; T51-Y59 WeakPolarHBondContact CA-O 3.43Å; T51-Y59 VanDerWaalsContact CB-O 3.27Å; T51-Y59 WeakPolarHBondContact CB-O 3.21Å; A52-Y59 PolarHBondContact N-O 2.91Å; A52-Y59 PolarHBondContact O-N 2.7Å; V54-Y59 HydrophobicContact CB-CD2 4.15Å; V54-Y59 HydrophobicContact CB-CE2 4.27Å; V54-Y59 WeakPolarHBondContact O-CE2 3.48Å; K57-Y59 HydrophobicContact CB-CD2 4.43Å; K57-Y59 HydrophobicContact CB-CE2 3.64Å; K57-Y59 WeakPolarHBondContact O-CD2 3.45Å; Y59-H63 WeakPolarHBondContact CD1-O 3.3Å; Y59-I64 HydrophobicContact CG-CG1 4.22Å; Y59-P86 WeakPolarHBondContact OH-CD 3.49Å
60	H	96	Very high	91.3	Very high	22 Å²	22	51.8 Å²	51.8	10%	0.102	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	147.3	157.7	-59.7	114.7	0	0	0	108.5	C39 C42 S45 K49 D62 H63	C39-H60 VanDerWaalsContact CB-CE1 3.47Å; C39-H60 WeakPolarHBondContact CB-CE1 3.34Å; C39-H60 VanDerWaalsContact CB-ND1 3.26Å; C39-H60 WeakPolarHBondContact CB-ND1 3.31Å; C39-H60 PolarHBondContact SG-ND1 3.49Å; C39-H60 VanDerWaalsContact SG-ND1 3.43Å; C42-H60 PolarHBondContact SG-CE1 3.5Å; C42-H60 PolarHBondContact SG-ND1 2.98Å; C42-H60 VanDerWaalsContact SG-ND1 3.37Å; S45-H60 PolarHBondContact O-NE2 3.32Å; K49-H60 WeakPolarHBondContact CD-NE2 3.39Å; K49-H60 PolarHBondContact NZ-NE2 2.73Å; H60-D62 PolarHBondContact O-N 3.23Å; H60-H63 HydrophobicContact CB-CB 4.1Å; H60-H63 AromaticContact CG-ND1 3.91Å; H60-H63 AromaticContact ND1-CE1 3.79Å; H60-H63 AromaticContact ND1-ND1 3.29Å; H60-H63 PolarHBondContact ND1-ND1 3.06Å; H60-H63 PolarHBondContact O-N 3.32Å
61	L	93.8	Very high	91.4	Very high	80 Å²	80	46.8 Å²	46.8	42%	0.419	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-56.3	-37.4	-176.2	-60.4	-176.8	0	0	0	112.8	L50 A52 H63	L50-L61 HydrophobicContact CB-CD1 3.78Å; L50-L61 HydrophobicContact CB-CG 4.13Å; L50-L61 HydrophobicContact CD1-CD1 4.19Å; A52-L61 HydrophobicContact CB-CD2 3.85Å; L61-H63 VanDerWaalsContact C-N 3.27Å; L61-H63 PolarHBondContact O-N 3.12Å
62	D	95.4	Very high	91.5	Very high	116 Å²	116	48.3 Å²	48.3	62%	0.62	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-84.1	2.2	-179.6	-56.1	-47	0	0	0	114	H60 F65	H60-D62 PolarHBondContact O-N 3.23Å; D62-F65 WeakPolarHBondContact O-CE2 3.39Å; D62-F65 WeakPolarHBondContact O-CZ 3.16Å
63	H	96.2	Very high	91.6	Very high	49 Å²	49	47.7 Å²	47.7	23%	0.227	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-116.7	26.9	-172.9	-68.2	177.6	0	0	0	113.3	Y41 C42 Y59 H60 L61	Y41-H63 HydrophobicContact CD1-CB 3.79Å; Y41-H63 AromaticContact CD1-CD2 3.7Å; Y41-H63 AromaticContact CD1-CG 3.47Å; Y41-H63 VanDerWaalsContact CD1-CG 3.47Å; Y41-H63 AromaticContact CD1-ND1 3.69Å; Y41-H63 AromaticContact CE1-CD2 3.95Å; Y41-H63 HydrophobicContact CG-CB 3.98Å; C42-H63 VanDerWaalsContact CB-CE1 3.48Å; C42-H63 WeakPolarHBondContact CB-CE1 3.34Å; C42-H63 PolarHBondContact SG-CE1 3.13Å; C42-H63 PolarHBondContact SG-ND1 2.85Å; Y59-H63 WeakPolarHBondContact CD1-O 3.3Å; H60-H63 HydrophobicContact CB-CB 4.1Å; H60-H63 AromaticContact CG-ND1 3.91Å; H60-H63 AromaticContact ND1-CE1 3.79Å; H60-H63 AromaticContact ND1-ND1 3.29Å; H60-H63 PolarHBondContact ND1-ND1 3.06Å; H60-H63 PolarHBondContact O-N 3.32Å; L61-H63 VanDerWaalsContact C-N 3.27Å; L61-H63 PolarHBondContact O-N 3.12Å
64	I	96.1	Very high	91.8	Very high	14 Å²	14	51.8 Å²	51.8	7%	0.072	27%	0.266	C	S	.	.			trans	-105.2	95.3	-179.8	-49.4	165.6	0	0	0	107.5	A52 V54 Y59 L73	A52-I64 HydrophobicContact CB-CD1 3.78Å; V54-I64 HydrophobicContact CB-CG2 4.44Å; V54-I64 HydrophobicContact CG1-CG2 4.16Å; V54-I64 HydrophobicContact CG2-CD1 4.08Å; V54-I64 HydrophobicContact CG2-CG2 4.13Å; Y59-I64 HydrophobicContact CG-CG1 4.22Å; I64-L73 HydrophobicContact CG2-CB 3.92Å; I64-L73 HydrophobicContact CG2-CD1 4.22Å; I64-L73 HydrophobicContact CG2-CG 4.43Å; I64-L73 PolarHBondContact O-N 3.28Å
65	F	95.2	Very high	91.7	Very high	37 Å²	37	60.5 Å²	60.5	16%	0.162	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-122.1	142.3	-176.7	-57.8	-72.9	0	0	0	111.4	Y41 D62 C67 G71 Q72 P86	Y41-F65 HydrophobicContact CD1-CE2 4.3Å; Y41-F65 AromaticContact CD2-CD2 3.74Å; Y41-F65 HydrophobicContact CD2-CD2 3.74Å; Y41-F65 HydrophobicContact CD2-CE2 4.15Å; Y41-F65 HydrophobicContact CE1-CD2 4.45Å; Y41-F65 AromaticContact CE1-CE2 3.9Å; Y41-F65 HydrophobicContact CE1-CE2 3.9Å; Y41-F65 AromaticContact CE2-CD2 3.49Å; Y41-F65 HydrophobicContact CE2-CD2 3.49Å; Y41-F65 VanDerWaalsContact CE2-CD2 3.49Å; Y41-F65 AromaticContact CE2-CE2 3.73Å; Y41-F65 HydrophobicContact CE2-CE2 3.73Å; Y41-F65 HydrophobicContact CG-CD2 4.33Å; Y41-F65 HydrophobicContact CG-CE2 4.41Å; Y41-F65 AromaticContact CZ-CD2 3.89Å; Y41-F65 AromaticContact CZ-CE2 3.59Å; D62-F65 WeakPolarHBondContact O-CE2 3.39Å; D62-F65 WeakPolarHBondContact O-CZ 3.16Å; F65-C67 PolarHBondContact O-N 3.37Å; F65-G71 CarbonylContact C-O 3.57Å; F65-G71 WeakPolarHBondContact CA-O 3.14Å; F65-Q72 HydrophobicContact CD1-CB 3.94Å; F65-Q72 HydrophobicContact CD1-CG 4.31Å; F65-Q72 HydrophobicContact CE1-CB 3.84Å; F65-Q72 HydrophobicContact CE1-CG 4Å; F65-P86 WeakPolarHBondContact O-CG 2.98Å
66	C	92.8	Very high	91.8	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.007	34%	0.339	C	S	.	.			trans	-59.1	124.7	169.6	176	0	0	0	0	110.3	M68 C69 N70 G71 L73 P86 C88	C66-M68 PolarHBondContact O-N 3.11Å; C66-M68 PolarHBondContact SG-N 3.12Å; C66-M68 VanDerWaalsContact SG-N 3.4Å; C66-C69 VanDerWaalsContact CB-SG 3.51Å; C66-N70 WeakPolarHBondContact O-CA 3.38Å; C66-N70 PolarHBondContact O-N 2.89Å; C66-G71 PolarHBondContact N-O 3.07Å; C66-L73 HydrophobicContact CB-CD2 4.34Å; C66-P86 CarbonylContact C-O 3.51Å; C66-P86 WeakPolarHBondContact CA-O 3.46Å; C66-C88 HydrophobicContact CB-CB 4.15Å; C66-C88 PolarHBondContact SG-N 2.9Å; C66-C88 PolarHBondContact SG-SG 2.98Å
67	C	87.2	Confident	92	Very high	55 Å²	55	63.9 Å²	63.9	37%	0.372	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-8.8	179.5	66.6	0	0	0	0	114.4	F65 M85 P86	F65-C67 PolarHBondContact O-N 3.37Å; C67-M85 HydrophobicContact CB-CB 3.8Å; C67-P86 PolarHBondContact N-O 2.9Å
68	M	84.9	Confident	91.8	Very high	68 Å²	68	64.9 Å²	64.9	34%	0.335	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-47.4	-178	-60.4	-54.9	-76	0	0	113	C66 R82 A87 C91 N95	C66-M68 PolarHBondContact O-N 3.11Å; C66-M68 PolarHBondContact SG-N 3.12Å; C66-M68 VanDerWaalsContact SG-N 3.4Å; M68-R82 VanDerWaalsContact CE-NH1 3.27Å; M68-R82 VanDerWaalsContact SD-CZ 3.56Å; M68-R82 PolarHBondContact SD-NH1 3.46Å; M68-A87 HydrophobicContact CG-CB 4.46Å; M68-C91 HydrophobicContact CB-CB 3.67Å; M68-C91 HydrophobicContact CG-CB 3.98Å; M68-N95 HydrophobicContact CE-CB 4.28Å; M68-N95 WeakPolarHBondContact CE-ND2 3.34Å; M68-N95 WeakPolarHBondContact CE-OD1 3.49Å
69	C	85.8	Confident	91.4	Very high	70 Å²	70	66.3 Å²	66.3	47%	0.473	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-4.2	-177	66.8	0	0	0	0	113.7	C66 G71	C66-C69 VanDerWaalsContact CB-SG 3.51Å; C69-G71 PolarHBondContact O-N 2.86Å; C69-G71 VanDerWaalsContact O-N 3.08Å; C69-G71 PolarHBondContact SG-N 3.24Å; C69-G71 VanDerWaalsContact SG-N 3.45Å
70	N	91.7	Very high	91	Very high	104 Å²	104	68.9 Å²	68.9	56%	0.556	38%	0.377	S	S	*	.			trans	58.2	14.6	-173.6	-159.8	59.8	0	0	0	114.6	C66	C66-N70 WeakPolarHBondContact O-CA 3.38Å; C66-N70 PolarHBondContact O-N 2.89Å
71	G	94.2	Very high	90.4	Very high	31 Å²	31	71.1 Å²	71.1	32%	0.32	39%	0.389	S	S	.	.			trans	-69.1	140.9	172.9	0	0	0	0	0	111.4	F65 C66 C69	F65-G71 CarbonylContact C-O 3.57Å; F65-G71 WeakPolarHBondContact CA-O 3.14Å; C66-G71 PolarHBondContact N-O 3.07Å; C69-G71 PolarHBondContact O-N 2.86Å; C69-G71 VanDerWaalsContact O-N 3.08Å; C69-G71 PolarHBondContact SG-N 3.24Å; C69-G71 VanDerWaalsContact SG-N 3.45Å
72	Q	94.8	Very high	89.5	Confident	69 Å²	69	71.8 Å²	71.8	32%	0.322	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-70.2	140.6	177.1	-168.2	162.3	1.8	0	0	110.8	F65 Y74	F65-Q72 HydrophobicContact CD1-CB 3.94Å; F65-Q72 HydrophobicContact CD1-CG 4.31Å; F65-Q72 HydrophobicContact CE1-CB 3.84Å; F65-Q72 HydrophobicContact CE1-CG 4Å; Q72-Y74 HydrophobicContact CB-CE2 4.42Å; Q72-Y74 HydrophobicContact CG-CE1 4.22Å; Q72-Y74 HydrophobicContact CG-CE2 4.46Å
73	L	93.5	Very high	88.6	Confident	12 Å²	12	74.9 Å²	74.9	6%	0.063	40%	0.397	C	S	.	.			trans	-108.6	138	176.2	-50.4	177.6	0	0	0	109.5	I64 C66 D77 C79 P86 C88	I64-L73 HydrophobicContact CG2-CB 3.92Å; I64-L73 HydrophobicContact CG2-CD1 4.22Å; I64-L73 HydrophobicContact CG2-CG 4.43Å; I64-L73 PolarHBondContact O-N 3.28Å; C66-L73 HydrophobicContact CB-CD2 4.34Å; L73-D77 WeakPolarHBondContact CA-OD2 3.44Å; L73-C79 HydrophobicContact CD1-CB 3.93Å; L73-P86 HydrophobicContact CD1-CB 3.88Å; L73-P86 HydrophobicContact CD1-CG 4.46Å; L73-C88 HydrophobicContact CD2-CB 3.58Å
74	Y	92.6	Very high	87.9	Confident	152 Å²	152	73.4 Å²	73.4	60%	0.596	40%	0.395	S	S	*	.			trans	-111.4	171.4	179	-59	-78.9	0	0	0	111.5	Q72 G76 D77	Q72-Y74 HydrophobicContact CB-CE2 4.42Å; Q72-Y74 HydrophobicContact CG-CE1 4.22Å; Q72-Y74 HydrophobicContact CG-CE2 4.46Å; Y74-G76 PolarHBondContact O-N 3.43Å; Y74-D77 PolarHBondContact N-OD2 2.82Å; Y74-D77 WeakPolarHBondContact O-CB 3.04Å; Y74-D77 PolarHBondContact O-N 3.47Å
75	E	88.9	Confident	87.5	Confident	204 Å²	204	75.9 Å²	75.9	95%	0.953	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	129.7	172.5	-174.8	175.2	-170.8	0	0	110.5
76	G	86.7	Confident	87.3	Confident	78 Å²	78	74.1 Å²	74.1	80%	0.804	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-11.5	-177.7	0	0	0	0	0	115.1	Y74	Y74-G76 PolarHBondContact O-N 3.43Å
77	D	88.7	Confident	87	Confident	75 Å²	75	74.1 Å²	74.1	40%	0.401	40%	0.4	S	S	.	.			trans	-67.4	141.8	173.1	-74.6	-22	0	0	0	111.3	L73 Y74 C79	L73-D77 WeakPolarHBondContact CA-OD2 3.44Å; Y74-D77 PolarHBondContact N-OD2 2.82Å; Y74-D77 WeakPolarHBondContact O-CB 3.04Å; Y74-D77 PolarHBondContact O-N 3.47Å; D77-C79 PolarHBondContact O-N 2.96Å; D77-C79 VanDerWaalsContact O-N 3.16Å
78	D	85	Confident	87.1	Confident	105 Å²	105	72.2 Å²	72.2	56%	0.561	39%	0.387	S	S	*	.			trans	-63.1	117.4	168.1	-76.2	-33.5	0	0	0	109.6	Y80 C88 G89	D78-Y80 HydrophobicContact CB-CE2 3.97Å; D78-C88 CarbonylContact O-C 3.58Å; D78-C88 WeakPolarHBondContact O-CA 3.21Å; D78-G89 PolarHBondContact O-N 2.92Å
79	C	85.7	Confident	86.9	Confident	48 Å²	48	69.4 Å²	69.4	32%	0.324	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	140.9	175.1	73.4	0	0	0	0	111.5	V54 L73 D77 A87	V54-C79 HydrophobicContact CG1-CB 4.48Å; L73-C79 HydrophobicContact CD1-CB 3.93Å; D77-C79 PolarHBondContact O-N 2.96Å; D77-C79 VanDerWaalsContact O-N 3.16Å; C79-A87 CarbonylContact C-O 3.58Å; C79-A87 WeakPolarHBondContact CA-O 3.36Å
80	Y	85.7	Confident	86.7	Confident	56 Å²	56	70 Å²	70	22%	0.22	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.7	-175.6	-61.8	-89.6	0	0	0	110.3	P15 D78 R82 P86 A87 F92	P15-Y80 HydrophobicContact CB-CD1 4.23Å; P15-Y80 HydrophobicContact CB-CE1 3.86Å; P15-Y80 HydrophobicContact CG-CD1 4.28Å; P15-Y80 HydrophobicContact CG-CE1 3.59Å; D78-Y80 HydrophobicContact CB-CE2 3.97Å; Y80-R82 PolarHBondContact O-N 2.97Å; Y80-P86 CarbonylContact O-C 3.56Å; Y80-A87 PolarHBondContact N-O 2.98Å; Y80-A87 PolarHBondContact O-N 2.72Å; Y80-F92 HydrophobicContact CD1-CD1 4.12Å; Y80-F92 AromaticContact CD1-CD2 3.72Å; Y80-F92 HydrophobicContact CD1-CD2 3.72Å; Y80-F92 HydrophobicContact CD1-CE1 4.07Å; Y80-F92 AromaticContact CD1-CE2 3.52Å; Y80-F92 HydrophobicContact CD1-CE2 3.52Å; Y80-F92 AromaticContact CD1-CG 3.98Å; Y80-F92 HydrophobicContact CD1-CG 3.98Å; Y80-F92 AromaticContact CD1-CZ 3.76Å; Y80-F92 HydrophobicContact CD1-CZ 3.76Å; Y80-F92 HydrophobicContact CD2-CB 3.42Å; Y80-F92 VanDerWaalsContact CD2-CB 3.42Å; Y80-F92 AromaticContact CD2-CD1 3.86Å; Y80-F92 HydrophobicContact CD2-CD1 3.86Å; Y80-F92 AromaticContact CD2-CD2 3.71Å; Y80-F92 HydrophobicContact CD2-CD2 3.71Å; Y80-F92 HydrophobicContact CD2-CE2 4.37Å; Y80-F92 AromaticContact CD2-CG 3.38Å; Y80-F92 HydrophobicContact CD2-CG 3.38Å; Y80-F92 HydrophobicContact CE1-CD1 4.14Å; Y80-F92 HydrophobicContact CE1-CE1 4.03Å; Y80-F92 HydrophobicContact CE1-CE2 4.29Å; Y80-F92 HydrophobicContact CE1-CG 4.41Å; Y80-F92 HydrophobicContact CE1-CZ 4.09Å; Y80-F92 HydrophobicContact CE2-CB 3.98Å; Y80-F92 AromaticContact CE2-CD1 3.87Å; Y80-F92 HydrophobicContact CE2-CD1 3.87Å; Y80-F92 AromaticContact CE2-CG 3.87Å; Y80-F92 HydrophobicContact CE2-CG 3.87Å; Y80-F92 HydrophobicContact CG-CB 3.93Å; Y80-F92 AromaticContact CG-CD1 3.99Å; Y80-F92 HydrophobicContact CG-CD1 3.99Å; Y80-F92 AromaticContact CG-CD2 3.24Å; Y80-F92 HydrophobicContact CG-CD2 3.24Å; Y80-F92 HydrophobicContact CG-CE1 4.37Å; Y80-F92 AromaticContact CG-CE2 3.57Å; Y80-F92 HydrophobicContact CG-CE2 3.57Å; Y80-F92 AromaticContact CG-CG 3.44Å; Y80-F92 HydrophobicContact CG-CG 3.44Å; Y80-F92 VanDerWaalsContact CG-CG 3.44Å; Y80-F92 HydrophobicContact CG-CZ 4.17Å
81	N	83.5	Confident	86.1	Confident	69 Å²	69	65.8 Å²	65.8	37%	0.369	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	117.5	177.3	-172.4	-59.9	0	0	0	109.9	C55 G84	C55-N81 HydrophobicContact CB-CB 3.98Å; C55-N81 PolarHBondContact O-ND2 3.34Å; C55-N81 PolarHBondContact SG-N 3.38Å; C55-N81 VanDerWaalsContact SG-N 3.44Å; N81-G84 WeakPolarHBondContact OD1-CA 3.32Å; N81-G84 PolarHBondContact OD1-N 2.8Å
82	R	74.9	Confident	85.2	Confident	94 Å²	94	65.4 Å²	65.4	36%	0.355	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	112.6	172.1	-168.2	177.8	-163	-110	10.3	108.6	M68 Y80 G84 M85 A87	M68-R82 VanDerWaalsContact CE-NH1 3.27Å; M68-R82 VanDerWaalsContact SD-CZ 3.56Å; M68-R82 PolarHBondContact SD-NH1 3.46Å; Y80-R82 PolarHBondContact O-N 2.97Å; R82-G84 PolarHBondContact O-N 3.48Å; R82-G84 VanDerWaalsContact O-N 3.17Å; R82-M85 PolarHBondContact N-O 2.83Å; R82-M85 PolarHBondContact O-N 3.37Å; R82-A87 HydrophobicContact CB-CB 4.21Å
83	Q	76.3	Confident	84.1	Confident	182 Å²	182	68 Å²	68	85%	0.85	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	36.3	-179	-56.3	178.8	12.2	0	0	113.1	M85	Q83-M85 VanDerWaalsContact C-N 3.35Å
84	G	82.7	Confident	82.8	Confident	18 Å²	18	70.4 Å²	70.4	19%	0.186	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	10.3	179.4	0	0	0	0	0	115.3	K57 N81 R82	K57-G84 WeakPolarHBondContact CE-O 3.48Å; K57-G84 PolarHBondContact NZ-O 2.98Å; N81-G84 WeakPolarHBondContact OD1-CA 3.32Å; N81-G84 PolarHBondContact OD1-N 2.8Å; R82-G84 PolarHBondContact O-N 3.48Å; R82-G84 VanDerWaalsContact O-N 3.17Å
85	M	86.9	Confident	81.3	Confident	65 Å²	65	65.6 Å²	65.6	32%	0.32	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	152.1	176.8	-65.6	-72.1	-80.5	0	0	110.2	P40 C67 R82 Q83	P40-M85 HydrophobicContact CB-SD 4.46Å; C67-M85 HydrophobicContact CB-CB 3.8Å; R82-M85 PolarHBondContact N-O 2.83Å; R82-M85 PolarHBondContact O-N 3.37Å; Q83-M85 VanDerWaalsContact C-N 3.35Å
86	P	90.2	Very high	79.9	Confident	1 Å²	1	61 Å²	61	1%	0.006	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	139.7	179.8	29	-32.4	0	0	0	111.5	V54 C55 Y59 F65 C66 C67 L73 Y80	V54-P86 HydrophobicContact CG1-CB 4.04Å; C55-P86 HydrophobicContact CB-CB 4.47Å; Y59-P86 WeakPolarHBondContact OH-CD 3.49Å; F65-P86 WeakPolarHBondContact O-CG 2.98Å; C66-P86 CarbonylContact C-O 3.51Å; C66-P86 WeakPolarHBondContact CA-O 3.46Å; C67-P86 PolarHBondContact N-O 2.9Å; L73-P86 HydrophobicContact CD1-CB 3.88Å; L73-P86 HydrophobicContact CD1-CG 4.46Å; Y80-P86 CarbonylContact O-C 3.56Å
87	A	86.3	Confident	78.6	Confident	1 Å²	1	59 Å²	59	1%	0.008	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	136.4	169.5	0	0	0	0	0	109.2	M68 C79 Y80 R82	M68-A87 HydrophobicContact CG-CB 4.46Å; C79-A87 CarbonylContact C-O 3.58Å; C79-A87 WeakPolarHBondContact CA-O 3.36Å; Y80-A87 PolarHBondContact N-O 2.98Å; Y80-A87 PolarHBondContact O-N 2.72Å; R82-A87 HydrophobicContact CB-CB 4.21Å
88	C	89.2	Confident	77.6	Confident	15 Å²	15	57.6 Å²	57.6	10%	0.101	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	157.3	175.4	59.3	0	0	0	0	111.3	C66 L73 D78 S90 C91 F92	C66-C88 HydrophobicContact CB-CB 4.15Å; C66-C88 PolarHBondContact SG-N 2.9Å; C66-C88 PolarHBondContact SG-SG 2.98Å; L73-C88 HydrophobicContact CD2-CB 3.58Å; D78-C88 CarbonylContact O-C 3.58Å; D78-C88 WeakPolarHBondContact O-CA 3.21Å; C88-S90 VanDerWaalsContact C-N 3.29Å; C88-S90 PolarHBondContact O-N 2.87Å; C88-S90 PolarHBondContact SG-OG 3.41Å; C88-C91 PolarHBondContact O-N 3.13Å; C88-C91 WeakPolarHBondContact SG-CB 3.23Å; C88-C91 PolarHBondContact SG-N 3.49Å; C88-C91 PolarHBondContact SG-SG 2.84Å; C88-F92 WeakPolarHBondContact O-CB 3.42Å; C88-F92 PolarHBondContact O-N 3.26Å
89	G	82.4	Confident	77.1	Confident	8 Å²	8	56 Å²	56	8%	0.082	30%	0.301	C	S	.	.	H	α-helix	trans	-56	-39.5	176.3	0	0	0	0	0	114	D78 F92 I93	D78-G89 PolarHBondContact O-N 2.92Å; G89-F92 PolarHBondContact O-N 3.3Å; G89-I93 WeakPolarHBondContact O-CB 3.42Å; G89-I93 WeakPolarHBondContact O-CD1 3.22Å; G89-I93 VanDerWaalsContact O-CG1 3.23Å; G89-I93 WeakPolarHBondContact O-CG1 3.44Å; G89-I93 PolarHBondContact O-N 3.27Å
90	S	80.5	Confident	76.9	Confident	84 Å²	84	53.7 Å²	53.7	59%	0.587	29%	0.286	S	S	*	.	H	α-helix	trans	-61.5	-49.5	176.9	56	0	0	0	0	112.1	C88 F92 S94	C88-S90 VanDerWaalsContact C-N 3.29Å; C88-S90 PolarHBondContact O-N 2.87Å; C88-S90 PolarHBondContact SG-OG 3.41Å; S90-F92 VanDerWaalsContact C-N 3.33Å; S90-F92 PolarHBondContact O-N 2.91Å; S90-S94 WeakPolarHBondContact O-CB 3.35Å; S90-S94 PolarHBondContact O-N 3.2Å; S90-S94 PolarHBondContact O-OG 3.4Å; S90-S94 VanDerWaalsContact O-OG 3.13Å
91	C	79.4	Confident	76.9	Confident	15 Å²	15	53.5 Å²	53.5	10%	0.101	30%	0.296	C	S	.	.	H	α-helix	trans	-68.7	-31.7	176	-72.1	0	0	0	0	112.7	M68 C88 S94 N95	M68-C91 HydrophobicContact CB-CB 3.67Å; M68-C91 HydrophobicContact CG-CB 3.98Å; C88-C91 PolarHBondContact O-N 3.13Å; C88-C91 WeakPolarHBondContact SG-CB 3.23Å; C88-C91 PolarHBondContact SG-N 3.49Å; C88-C91 PolarHBondContact SG-SG 2.84Å; C91-S94 WeakPolarHBondContact CA-OG 3.38Å; C91-S94 CarbonylContact O-C 3.54Å; C91-N95 WeakPolarHBondContact O-CB 3.2Å; C91-N95 PolarHBondContact O-N 2.87Å; C91-N95 PolarHBondContact O-ND2 3.3Å
92	F	75.9	Confident	77.2	Confident	23 Å²	23	54.6 Å²	54.6	10%	0.101	31%	0.305	C	S	.	.	H	α-helix	trans	-64.8	-52	175.7	176.2	-87.3	0	0	0	110.5	P15 Y80 C88 G89 S90 S94 N95 F96	P15-F92 HydrophobicContact CB-CE1 4.03Å; P15-F92 HydrophobicContact CB-CZ 3.59Å; P15-F92 HydrophobicContact CG-CD1 4.31Å; P15-F92 HydrophobicContact CG-CE1 3.21Å; P15-F92 HydrophobicContact CG-CZ 3.33Å; Y80-F92 HydrophobicContact CD1-CD1 4.12Å; Y80-F92 AromaticContact CD1-CD2 3.72Å; Y80-F92 HydrophobicContact CD1-CD2 3.72Å; Y80-F92 HydrophobicContact CD1-CE1 4.07Å; Y80-F92 AromaticContact CD1-CE2 3.52Å; Y80-F92 HydrophobicContact CD1-CE2 3.52Å; Y80-F92 AromaticContact CD1-CG 3.98Å; Y80-F92 HydrophobicContact CD1-CG 3.98Å; Y80-F92 AromaticContact CD1-CZ 3.76Å; Y80-F92 HydrophobicContact CD1-CZ 3.76Å; Y80-F92 HydrophobicContact CD2-CB 3.42Å; Y80-F92 VanDerWaalsContact CD2-CB 3.42Å; Y80-F92 AromaticContact CD2-CD1 3.86Å; Y80-F92 HydrophobicContact CD2-CD1 3.86Å; Y80-F92 AromaticContact CD2-CD2 3.71Å; Y80-F92 HydrophobicContact CD2-CD2 3.71Å; Y80-F92 HydrophobicContact CD2-CE2 4.37Å; Y80-F92 AromaticContact CD2-CG 3.38Å; Y80-F92 HydrophobicContact CD2-CG 3.38Å; Y80-F92 HydrophobicContact CE1-CD1 4.14Å; Y80-F92 HydrophobicContact CE1-CE1 4.03Å; Y80-F92 HydrophobicContact CE1-CE2 4.29Å; Y80-F92 HydrophobicContact CE1-CG 4.41Å; Y80-F92 HydrophobicContact CE1-CZ 4.09Å; Y80-F92 HydrophobicContact CE2-CB 3.98Å; Y80-F92 AromaticContact CE2-CD1 3.87Å; Y80-F92 HydrophobicContact CE2-CD1 3.87Å; Y80-F92 AromaticContact CE2-CG 3.87Å; Y80-F92 HydrophobicContact CE2-CG 3.87Å; Y80-F92 HydrophobicContact CG-CB 3.93Å; Y80-F92 AromaticContact CG-CD1 3.99Å; Y80-F92 HydrophobicContact CG-CD1 3.99Å; Y80-F92 AromaticContact CG-CD2 3.24Å; Y80-F92 HydrophobicContact CG-CD2 3.24Å; Y80-F92 HydrophobicContact CG-CE1 4.37Å; Y80-F92 AromaticContact CG-CE2 3.57Å; Y80-F92 HydrophobicContact CG-CE2 3.57Å; Y80-F92 AromaticContact CG-CG 3.44Å; Y80-F92 HydrophobicContact CG-CG 3.44Å; Y80-F92 VanDerWaalsContact CG-CG 3.44Å; Y80-F92 HydrophobicContact CG-CZ 4.17Å; C88-F92 WeakPolarHBondContact O-CB 3.42Å; C88-F92 PolarHBondContact O-N 3.26Å; G89-F92 PolarHBondContact O-N 3.3Å; S90-F92 VanDerWaalsContact C-N 3.33Å; S90-F92 PolarHBondContact O-N 2.91Å; F92-S94 VanDerWaalsContact C-N 3.29Å; F92-S94 PolarHBondContact O-N 2.96Å; F92-N95 PolarHBondContact O-N 3.17Å; F92-F96 HydrophobicContact CD1-CD2 4.05Å; F92-F96 HydrophobicContact CD1-CE2 4.41Å; F92-F96 AromaticContact CD2-CD2 3.73Å; F92-F96 HydrophobicContact CD2-CD2 3.73Å; F92-F96 AromaticContact CD2-CE2 3.46Å; F92-F96 HydrophobicContact CD2-CE2 3.46Å; F92-F96 VanDerWaalsContact CD2-CE2 3.46Å; F92-F96 HydrophobicContact CD2-CZ 4.49Å; F92-F96 AromaticContact CE1-CD2 3.71Å; F92-F96 HydrophobicContact CE1-CD2 3.71Å; F92-F96 AromaticContact CE1-CE2 3.88Å; F92-F96 HydrophobicContact CE1-CE2 3.88Å; F92-F96 HydrophobicContact CE1-CG 4.25Å; F92-F96 HydrophobicContact CE1-CZ 4.44Å; F92-F96 AromaticContact CE2-CD2 3.51Å; F92-F96 HydrophobicContact CE2-CD2 3.51Å; F92-F96 AromaticContact CE2-CE2 2.89Å; F92-F96 HydrophobicContact CE2-CE2 2.89Å; F92-F96 AromaticContact CE2-CZ 3.56Å; F92-F96 HydrophobicContact CE2-CZ 3.56Å; F92-F96 HydrophobicContact CG-CD2 4.03Å; F92-F96 HydrophobicContact CG-CE2 4.21Å; F92-F96 AromaticContact CZ-CD2 3.44Å; F92-F96 HydrophobicContact CZ-CD2 3.44Å; F92-F96 VanDerWaalsContact CZ-CD2 3.44Å; F92-F96 HydrophobicContact CZ-CE1 4.19Å; F92-F96 AromaticContact CZ-CE2 3.09Å; F92-F96 HydrophobicContact CZ-CE2 3.09Å; F92-F96 HydrophobicContact CZ-CG 4.17Å; F92-F96 AromaticContact CZ-CZ 3.48Å; F92-F96 HydrophobicContact CZ-CZ 3.48Å; F92-F96 VanDerWaalsContact CZ-CZ 3.48Å; F92-F96 WeakPolarHBondContact O-CD2 3.39Å; F92-F96 PolarHBondContact O-N 3.43Å
93	I	71.3	Confident	77.8	Confident	124 Å²	124	52.4 Å²	52.4	64%	0.636	30%	0.303	S	S	*	.	H	α-helix	trans	-59.5	-44.4	177	-66.4	165	0	0	0	109.8	G89 N95	G89-I93 WeakPolarHBondContact O-CB 3.42Å; G89-I93 WeakPolarHBondContact O-CD1 3.22Å; G89-I93 VanDerWaalsContact O-CG1 3.23Å; G89-I93 WeakPolarHBondContact O-CG1 3.44Å; G89-I93 PolarHBondContact O-N 3.27Å; I93-N95 VanDerWaalsContact C-N 3.33Å; I93-N95 PolarHBondContact O-N 2.89Å
94	S	66.4	Low	77.9	Confident	62 Å²	62	51.1 Å²	51.1	43%	0.434	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	9.8	-179.6	88.2	0	0	0	0	115.1	S90 C91 F92 D97	S90-S94 WeakPolarHBondContact O-CB 3.35Å; S90-S94 PolarHBondContact O-N 3.2Å; S90-S94 PolarHBondContact O-OG 3.4Å; S90-S94 VanDerWaalsContact O-OG 3.13Å; C91-S94 WeakPolarHBondContact CA-OG 3.38Å; C91-S94 CarbonylContact O-C 3.54Å; F92-S94 VanDerWaalsContact C-N 3.29Å; F92-S94 PolarHBondContact O-N 2.96Å; S94-D97 VanDerWaalsContact C-CG 3.41Å
95	N	59.9	Low	77.7	Confident	50 Å²	50	54.7 Å²	54.7	27%	0.267	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.4	-6.6	172.6	-75.9	-85	0	0	0	112.5	M68 C91 F92 I93 D97	M68-N95 HydrophobicContact CE-CB 4.28Å; M68-N95 WeakPolarHBondContact CE-ND2 3.34Å; M68-N95 WeakPolarHBondContact CE-OD1 3.49Å; C91-N95 WeakPolarHBondContact O-CB 3.2Å; C91-N95 PolarHBondContact O-N 2.87Å; C91-N95 PolarHBondContact O-ND2 3.3Å; F92-N95 PolarHBondContact O-N 3.17Å; I93-N95 VanDerWaalsContact C-N 3.33Å; I93-N95 PolarHBondContact O-N 2.89Å; N95-D97 VanDerWaalsContact CA-CG 3.41Å; N95-D97 WeakPolarHBondContact CA-OD2 3.45Å; N95-D97 PolarHBondContact N-OD1 2.69Å; N95-D97 PolarHBondContact O-N 2.66Å; N95-D97 VanDerWaalsContact O-N 3.17Å
96	F	60.4	Low	76.9	Confident	108 Å²	108	54.7 Å²	54.7	47%	0.474	32%	0.317	S	S	.	.	S	Bend	trans	-65	-1.2	157.5	-98	-102.7	0	0	0	112.1	Y13 F92 V98	Y13-F96 AromaticContact CE1-CD1 3.98Å; Y13-F96 HydrophobicContact CE1-CD1 3.98Å; Y13-F96 AromaticContact CE1-CE1 3.8Å; Y13-F96 HydrophobicContact CE1-CE1 3.8Å; F92-F96 HydrophobicContact CD1-CD2 4.05Å; F92-F96 HydrophobicContact CD1-CE2 4.41Å; F92-F96 AromaticContact CD2-CD2 3.73Å; F92-F96 HydrophobicContact CD2-CD2 3.73Å; F92-F96 AromaticContact CD2-CE2 3.46Å; F92-F96 HydrophobicContact CD2-CE2 3.46Å; F92-F96 VanDerWaalsContact CD2-CE2 3.46Å; F92-F96 HydrophobicContact CD2-CZ 4.49Å; F92-F96 AromaticContact CE1-CD2 3.71Å; F92-F96 HydrophobicContact CE1-CD2 3.71Å; F92-F96 AromaticContact CE1-CE2 3.88Å; F92-F96 HydrophobicContact CE1-CE2 3.88Å; F92-F96 HydrophobicContact CE1-CG 4.25Å; F92-F96 HydrophobicContact CE1-CZ 4.44Å; F92-F96 AromaticContact CE2-CD2 3.51Å; F92-F96 HydrophobicContact CE2-CD2 3.51Å; F92-F96 AromaticContact CE2-CE2 2.89Å; F92-F96 HydrophobicContact CE2-CE2 2.89Å; F92-F96 AromaticContact CE2-CZ 3.56Å; F92-F96 HydrophobicContact CE2-CZ 3.56Å; F92-F96 HydrophobicContact CG-CD2 4.03Å; F92-F96 HydrophobicContact CG-CE2 4.21Å; F92-F96 AromaticContact CZ-CD2 3.44Å; F92-F96 HydrophobicContact CZ-CD2 3.44Å; F92-F96 VanDerWaalsContact CZ-CD2 3.44Å; F92-F96 HydrophobicContact CZ-CE1 4.19Å; F92-F96 AromaticContact CZ-CE2 3.09Å; F92-F96 HydrophobicContact CZ-CE2 3.09Å; F92-F96 HydrophobicContact CZ-CG 4.17Å; F92-F96 AromaticContact CZ-CZ 3.48Å; F92-F96 HydrophobicContact CZ-CZ 3.48Å; F92-F96 VanDerWaalsContact CZ-CZ 3.48Å; F92-F96 WeakPolarHBondContact O-CD2 3.39Å; F92-F96 PolarHBondContact O-N 3.43Å; F96-V98 PolarHBondContact O-N 3.34Å
97	D	58.9	Low	75.8	Confident	37 Å²	37	55.2 Å²	55.2	20%	0.198	32%	0.32	C	S	.	.			trans	-8.7	79.3	154.1	-64.6	-8.3	0	0	0	113.3	S94 N95 T99 P106	S94-D97 VanDerWaalsContact C-CG 3.41Å; N95-D97 VanDerWaalsContact CA-CG 3.41Å; N95-D97 WeakPolarHBondContact CA-OD2 3.45Å; N95-D97 PolarHBondContact N-OD1 2.69Å; N95-D97 PolarHBondContact O-N 2.66Å; N95-D97 VanDerWaalsContact O-N 3.17Å; D97-T99 VanDerWaalsContact C-N 3.3Å; D97-T99 HydrophobicContact CB-CG2 4.29Å; D97-T99 PolarHBondContact O-N 3.23Å; D97-P106 HydrophobicContact CB-CB 4.06Å; D97-P106 HydrophobicContact CB-CG 4.23Å; D97-P106 WeakPolarHBondContact OD1-CB 3.44Å; D97-P106 WeakPolarHBondContact OD2-CB 3.15Å; D97-P106 WeakPolarHBondContact OD2-CG 3.3Å
98	V	67.7	Low	75	Confident	44 Å²	44	57.8 Å²	57.8	27%	0.267	35%	0.346	S	S	.	.			trans	-47.9	108.5	140.1	-167.6	0	0	0	0	106.4	F96 L107 L111 R118	F96-V98 PolarHBondContact O-N 3.34Å; V98-L107 HydrophobicContact CB-CB 4.33Å; V98-L107 HydrophobicContact CB-CD1 4.04Å; V98-L107 HydrophobicContact CG1-CD1 3.55Å; V98-L107 WeakPolarHBondContact O-CA 3.47Å; V98-L107 WeakPolarHBondContact O-CB 3.32Å; V98-L107 WeakPolarHBondContact O-CD1 3.49Å; V98-L107 WeakPolarHBondContact O-CG 3.36Å; V98-L107 PolarHBondContact O-N 2.85Å; V98-L111 HydrophobicContact CG1-CD2 4.41Å; V98-R118 HydrophobicContact CG1-CB 3.72Å; V98-R118 HydrophobicContact CG1-CG 4Å
99	T	75.7	Confident	73.9	Confident	72 Å²	72	64.1 Å²	64.1	44%	0.442	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-86.1	151.9	178.6	52.8	0	0	0	0	110.2	D97 A101 E104 D105	D97-T99 VanDerWaalsContact C-N 3.3Å; D97-T99 HydrophobicContact CB-CG2 4.29Å; D97-T99 PolarHBondContact O-N 3.23Å; T99-A101 PolarHBondContact O-N 2.81Å; T99-E104 WeakPolarHBondContact CB-O 3.1Å; T99-E104 VanDerWaalsContact CG2-O 3.22Å; T99-E104 WeakPolarHBondContact CG2-O 3.15Å; T99-D105 WeakPolarHBondContact CA-O 3.47Å
100	C	82	Confident	73.4	Confident	0 Å²	0	74 Å²	74	0%	0	41%	0.414	C	S	.	.			trans	-68.2	126.3	171.6	178.6	0	0	0	0	109.4	V102 E104 D105 L107 Y119 H120 C123	C100-V102 PolarHBondContact O-N 3.46Å; C100-V102 PolarHBondContact SG-N 3.48Å; C100-E104 WeakPolarHBondContact O-CA 3.33Å; C100-E104 PolarHBondContact O-N 3.18Å; C100-D105 PolarHBondContact N-O 3.12Å; C100-L107 HydrophobicContact CB-CD2 3.93Å; C100-L107 HydrophobicContact CB-CG 4.31Å; C100-Y119 VanDerWaalsContact SG-CA 3.6Å; C100-H120 WeakPolarHBondContact CB-CE1 3.48Å; C100-H120 WeakPolarHBondContact CB-ND1 3.44Å; C100-H120 PolarHBondContact SG-N 2.82Å; C100-H120 VanDerWaalsContact SG-N 3.37Å; C100-C123 WeakPolarHBondContact SG-CB 3.15Å
101	A	83.7	Confident	73.4	Confident	52 Å²	52	72.1 Å²	72.1	43%	0.43	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	12.8	177.3	0	0	0	0	0	115.1	T99 R118 Y119	T99-A101 PolarHBondContact O-N 2.81Å; A101-R118 PolarHBondContact N-O 2.88Å; A101-Y119 HydrophobicContact CB-CD1 4.14Å; A101-Y119 HydrophobicContact CB-CE1 3.6Å
102	V	90	Very high	73.7	Confident	91 Å²	91	72.2 Å²	72.2	55%	0.552	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	-51.3	176.9	168.6	0	0	0	0	111.6	C100 Y119 C123	C100-V102 PolarHBondContact O-N 3.46Å; C100-V102 PolarHBondContact SG-N 3.48Å; V102-Y119 HydrophobicContact CB-CD1 4.45Å; V102-Y119 HydrophobicContact CG2-CD1 3.6Å; V102-Y119 HydrophobicContact CG2-CE1 3.73Å; V102-C123 HydrophobicContact CB-CB 4.03Å; V102-C123 HydrophobicContact CG1-CB 4.21Å; V102-C123 HydrophobicContact CG2-CB 4.48Å
103	C	87.5	Confident	74	Confident	48 Å²	48	76.3 Å²	76.3	32%	0.324	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-7.2	-179.9	66.4	0	0	0	0	113.6	D105 H120	C103-D105 PolarHBondContact O-N 3.36Å; C103-D105 PolarHBondContact SG-OD2 3.16Å; C103-H120 PolarHBondContact SG-CE1 3.29Å; C103-H120 PolarHBondContact SG-ND1 3.45Å
104	E	80.2	Confident	74.5	Confident	155 Å²	155	70.7 Å²	70.7	72%	0.724	39%	0.388	S	S	*	.			trans	63.2	0.6	-178.2	-57.1	178.3	-172.9	0	0	114.9	T99 C100	T99-E104 WeakPolarHBondContact CB-O 3.1Å; T99-E104 VanDerWaalsContact CG2-O 3.22Å; T99-E104 WeakPolarHBondContact CG2-O 3.15Å; C100-E104 WeakPolarHBondContact O-CA 3.33Å; C100-E104 PolarHBondContact O-N 3.18Å
105	D	78.3	Confident	75.3	Confident	94 Å²	94	71.5 Å²	71.5	50%	0.503	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-70.5	152.7	172.8	-58.8	-49.5	0	0	0	111.6	T99 C100 C103 L107	T99-D105 WeakPolarHBondContact CA-O 3.47Å; C100-D105 PolarHBondContact N-O 3.12Å; C103-D105 PolarHBondContact O-N 3.36Å; C103-D105 PolarHBondContact SG-OD2 3.16Å; D105-L107 PolarHBondContact O-N 2.8Å
106	P	68.5	Low	76.2	Confident	65 Å²	65	73.2 Å²	73.2	42%	0.422	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-48.9	133.5	172.5	-33.5	41.7	0	0	0	114.2	D97 H120	D97-P106 HydrophobicContact CB-CB 4.06Å; D97-P106 HydrophobicContact CB-CG 4.23Å; D97-P106 WeakPolarHBondContact OD1-CB 3.44Å; D97-P106 WeakPolarHBondContact OD2-CB 3.15Å; D97-P106 WeakPolarHBondContact OD2-CG 3.3Å; P106-H120 PolarHBondContact O-NE2 3.4Å
107	L	68.4	Low	77.2	Confident	12 Å²	12	70.4 Å²	70.4	6%	0.063	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-86.6	122.6	165.9	-62.3	164	0	0	0	108.4	V98 C100 D105 L111 R118 H120	V98-L107 HydrophobicContact CB-CB 4.33Å; V98-L107 HydrophobicContact CB-CD1 4.04Å; V98-L107 HydrophobicContact CG1-CD1 3.55Å; V98-L107 WeakPolarHBondContact O-CA 3.47Å; V98-L107 WeakPolarHBondContact O-CB 3.32Å; V98-L107 WeakPolarHBondContact O-CD1 3.49Å; V98-L107 WeakPolarHBondContact O-CG 3.36Å; V98-L107 PolarHBondContact O-N 2.85Å; C100-L107 HydrophobicContact CB-CD2 3.93Å; C100-L107 HydrophobicContact CB-CG 4.31Å; D105-L107 PolarHBondContact O-N 2.8Å; L107-L111 HydrophobicContact CB-CB 4.32Å; L107-L111 HydrophobicContact CB-CD2 4.34Å; L107-L111 HydrophobicContact CD1-CB 4Å; L107-L111 HydrophobicContact CD1-CD2 4.13Å; L107-L111 HydrophobicContact CD2-CB 4.08Å; L107-L111 HydrophobicContact CG-CB 4.38Å; L107-R118 HydrophobicContact CD1-CB 3.56Å; L107-H120 HydrophobicContact CD2-CB 4.33Å; L107-H120 VanDerWaalsContact CD2-N 3.28Å
108	G	68.6	Low	78.4	Confident	54 Å²	54	73.8 Å²	73.8	56%	0.557	42%	0.421	S	S	*	.			trans	-74.5	-150.7	167.1	0	0	0	0	0	111.8	W110	G108-W110 PolarHBondContact O-N 2.87Å; G108-W110 VanDerWaalsContact O-N 3.13Å
109	D	66.9	Low	79.2	Confident	148 Å²	148	72.7 Å²	72.7	79%	0.791	41%	0.412	S	S	*	.	S	Bend	trans	-63.1	-24.7	-175.1	-61.1	-37.5	0	0	0	114.4
110	W	72.3	Confident	79.8	Confident	216 Å²	216	71 Å²	71	82%	0.818	40%	0.399	S	S	*	.			trans	-114.3	116	-173.7	-135.5	-12.4	0	0	0	112.7	G108	G108-W110 PolarHBondContact O-N 2.87Å; G108-W110 VanDerWaalsContact O-N 3.13Å
111	L	80.3	Confident	80.1	Confident	44 Å²	44	73 Å²	73	23%	0.23	41%	0.412	C	S	.	.			trans	-138.4	165.8	179.9	60.7	80.8	0	0	0	111.6	V98 L107 H113 R118 Y119	V98-L111 HydrophobicContact CG1-CD2 4.41Å; L107-L111 HydrophobicContact CB-CB 4.32Å; L107-L111 HydrophobicContact CB-CD2 4.34Å; L107-L111 HydrophobicContact CD1-CB 4Å; L107-L111 HydrophobicContact CD1-CD2 4.13Å; L107-L111 HydrophobicContact CD2-CB 4.08Å; L107-L111 HydrophobicContact CG-CB 4.38Å; L111-H113 WeakPolarHBondContact CD1-CD2 3.49Å; L111-H113 VanDerWaalsContact CD1-NE2 3.31Å; L111-H113 WeakPolarHBondContact CD1-NE2 3.32Å; L111-R118 HydrophobicContact CD1-CB 4.37Å; L111-R118 HydrophobicContact CD1-CG 4.25Å; L111-R118 HydrophobicContact CD2-CB 4.49Å; L111-Y119 WeakPolarHBondContact CA-O 3.42Å
112	V	84.2	Confident	80.3	Confident	18 Å²	18	73.7 Å²	73.7	11%	0.109	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.9	172.9	-175.7	0	0	0	0	108.9	R118 Y119 P121 I124 Y137	V112-R118 CarbonylContact O-C 3.5Å; V112-R118 WeakPolarHBondContact O-CA 3.37Å; V112-Y119 PolarHBondContact N-O 2.87Å; V112-Y119 PolarHBondContact O-N 2.78Å; V112-P121 HydrophobicContact CG2-CB 4.39Å; V112-P121 HydrophobicContact CG2-CG 4.29Å; V112-I124 HydrophobicContact CB-CD1 4.39Å; V112-I124 HydrophobicContact CB-CG2 4.25Å; V112-I124 HydrophobicContact CG1-CD1 3.68Å; V112-I124 HydrophobicContact CG1-CG2 4.32Å; V112-I124 HydrophobicContact CG2-CG2 4.2Å; V112-Y137 HydrophobicContact CG1-CE1 4.05Å
113	H	82.5	Confident	80.5	Confident	109 Å²	109	70.4 Å²	70.4	51%	0.505	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	127.7	172.4	-71.6	-99.6	0	0	0	110	L111 S117 R118 Y137	L111-H113 WeakPolarHBondContact CD1-CD2 3.49Å; L111-H113 VanDerWaalsContact CD1-NE2 3.31Å; L111-H113 WeakPolarHBondContact CD1-NE2 3.32Å; H113-S117 WeakPolarHBondContact CA-O 3.48Å; H113-R118 PolarHBondContact CE1-NE 2.91Å; H113-Y137 PolarHBondContact O-OH 3.29Å
114	A	82.8	Confident	80.6	Confident	6 Å²	6	68.1 Å²	68.1	5%	0.05	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	149.1	171.8	0	0	0	0	0	110.5	G116 S117 Y119 I124 Y137 I144	A114-G116 PolarHBondContact O-N 3.34Å; A114-S117 PolarHBondContact N-O 3.44Å; A114-S117 CarbonylContact O-C 3.57Å; A114-S117 PolarHBondContact O-N 3.44Å; A114-Y119 HydrophobicContact CB-CD2 4.12Å; A114-Y119 HydrophobicContact CB-CE2 3.83Å; A114-Y119 VanDerWaalsContact O-CE2 3.3Å; A114-Y119 WeakPolarHBondContact O-CE2 3.34Å; A114-I124 HydrophobicContact CB-CD1 3.53Å; A114-Y137 HydrophobicContact CB-CD2 4.47Å; A114-Y137 HydrophobicContact CB-CE2 3.74Å; A114-I144 HydrophobicContact CB-CD1 3.98Å
115	L	83.5	Confident	81.3	Confident	78 Å²	78	66.5 Å²	66.5	41%	0.408	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	26.7	174.9	-58.2	175.7	0	0	0	115.1	S117 A139 G142 I144	L115-S117 VanDerWaalsContact C-N 3.29Å; L115-S117 PolarHBondContact O-N 3.07Å; L115-A139 HydrophobicContact CD2-CB 3.58Å; L115-G142 WeakPolarHBondContact CD1-O 3.5Å; L115-I144 HydrophobicContact CD1-CD1 4.08Å; L115-I144 HydrophobicContact CD1-CG1 3.73Å; L115-I144 HydrophobicContact CG-CG1 4.29Å
116	G	78	Confident	82.1	Confident	86 Å²	86	62 Å²	62	89%	0.887	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-4.5	-175.5	0	0	0	0	0	115.5	A114	A114-G116 PolarHBondContact O-N 3.34Å
117	S	82.1	Confident	83.3	Confident	50 Å²	50	62.1 Å²	62.1	35%	0.35	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	175.7	-179.6	-62.9	0	0	0	0	111.8	H113 A114 L115	H113-S117 WeakPolarHBondContact CA-O 3.48Å; A114-S117 PolarHBondContact N-O 3.44Å; A114-S117 CarbonylContact O-C 3.57Å; A114-S117 PolarHBondContact O-N 3.44Å; L115-S117 VanDerWaalsContact C-N 3.29Å; L115-S117 PolarHBondContact O-N 3.07Å
118	R	82.8	Confident	84.6	Confident	108 Å²	108	65.3 Å²	65.3	41%	0.408	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144.5	-177.1	-60.6	163.6	-168.7	-174.6	6.6	109.6	V98 A101 L107 L111 V112 H113	V98-R118 HydrophobicContact CG1-CB 3.72Å; V98-R118 HydrophobicContact CG1-CG 4Å; A101-R118 PolarHBondContact N-O 2.88Å; L107-R118 HydrophobicContact CD1-CB 3.56Å; L111-R118 HydrophobicContact CD1-CB 4.37Å; L111-R118 HydrophobicContact CD1-CG 4.25Å; L111-R118 HydrophobicContact CD2-CB 4.49Å; V112-R118 CarbonylContact O-C 3.5Å; V112-R118 WeakPolarHBondContact O-CA 3.37Å; H113-R118 PolarHBondContact CE1-NE 2.91Å
119	Y	85.5	Confident	85.8	Confident	21 Å²	21	65.6 Å²	65.6	8%	0.082	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	152.8	-170	-55.7	-96	0	0	0	111.6	C100 A101 V102 L111 V112 A114	C100-Y119 VanDerWaalsContact SG-CA 3.6Å; A101-Y119 HydrophobicContact CB-CD1 4.14Å; A101-Y119 HydrophobicContact CB-CE1 3.6Å; V102-Y119 HydrophobicContact CB-CD1 4.45Å; V102-Y119 HydrophobicContact CG2-CD1 3.6Å; V102-Y119 HydrophobicContact CG2-CE1 3.73Å; L111-Y119 WeakPolarHBondContact CA-O 3.42Å; V112-Y119 PolarHBondContact N-O 2.87Å; V112-Y119 PolarHBondContact O-N 2.78Å; A114-Y119 HydrophobicContact CB-CD2 4.12Å; A114-Y119 HydrophobicContact CB-CE2 3.83Å; A114-Y119 VanDerWaalsContact O-CE2 3.3Å; A114-Y119 WeakPolarHBondContact O-CE2 3.34Å
120	H	86.6	Confident	87.2	Confident	37 Å²	37	62 Å²	62	17%	0.171	34%	0.343	C	S	.	.			trans	-63.9	147.4	164.4	-60.4	100.4	0	0	0	109.3	C100 C103 P106 L107 S122 C123 I124	C100-H120 WeakPolarHBondContact CB-CE1 3.48Å; C100-H120 WeakPolarHBondContact CB-ND1 3.44Å; C100-H120 PolarHBondContact SG-N 2.82Å; C100-H120 VanDerWaalsContact SG-N 3.37Å; C103-H120 PolarHBondContact SG-CE1 3.29Å; C103-H120 PolarHBondContact SG-ND1 3.45Å; P106-H120 PolarHBondContact O-NE2 3.4Å; L107-H120 HydrophobicContact CD2-CB 4.33Å; L107-H120 VanDerWaalsContact CD2-N 3.28Å; H120-S122 PolarHBondContact O-N 3.06Å; H120-S122 VanDerWaalsContact O-N 3.12Å; H120-C123 HydrophobicContact CB-CB 3.93Å; H120-C123 PolarHBondContact O-N 3.31Å; H120-I124 PolarHBondContact O-N 2.91Å; H120-I124 VanDerWaalsContact O-N 3.12Å
121	P	88.3	Confident	88.2	Confident	42 Å²	42	57.8 Å²	57.8	27%	0.273	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-32.8	172.9	-28.3	35.8	0	0	0	113.8	V112 P134	V112-P121 HydrophobicContact CG2-CB 4.39Å; V112-P121 HydrophobicContact CG2-CG 4.29Å; P121-P134 HydrophobicContact CB-CB 3.8Å
122	S	89.8	Confident	88.7	Confident	65 Å²	65	58.5 Å²	58.5	46%	0.455	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-21.7	176.6	56.6	0	0	0	0	113.6	H120 R125	H120-S122 PolarHBondContact O-N 3.06Å; H120-S122 VanDerWaalsContact O-N 3.12Å; S122-R125 PolarHBondContact O-NE 2.82Å; S122-R125 PolarHBondContact O-NH2 2.8Å
123	C	92.3	Very high	89	Confident	22 Å²	22	58.3 Å²	58.3	15%	0.149	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-26.7	-176.9	-71.7	0	0	0	0	112.7	C100 V102 H120 R125	C100-C123 WeakPolarHBondContact SG-CB 3.15Å; V102-C123 HydrophobicContact CB-CB 4.03Å; V102-C123 HydrophobicContact CG1-CB 4.21Å; V102-C123 HydrophobicContact CG2-CB 4.48Å; H120-C123 HydrophobicContact CB-CB 3.93Å; H120-C123 PolarHBondContact O-N 3.31Å; C123-R125 PolarHBondContact O-N 3.04Å; C123-R125 VanDerWaalsContact O-N 3.11Å
124	I	91.5	Very high	89	Confident	1 Å²	1	56 Å²	56	1%	0.005	33%	0.331	C	S	.	.			trans	-72.6	104.6	172.2	-168	163.6	0	0	0	110.2	V112 A114 H120 P132 L133 Y137 I144	V112-I124 HydrophobicContact CB-CD1 4.39Å; V112-I124 HydrophobicContact CB-CG2 4.25Å; V112-I124 HydrophobicContact CG1-CD1 3.68Å; V112-I124 HydrophobicContact CG1-CG2 4.32Å; V112-I124 HydrophobicContact CG2-CG2 4.2Å; A114-I124 HydrophobicContact CB-CD1 3.53Å; H120-I124 PolarHBondContact O-N 2.91Å; H120-I124 VanDerWaalsContact O-N 3.12Å; I124-P132 CarbonylContact O-C 3.56Å; I124-P132 WeakPolarHBondContact O-CA 3.43Å; I124-L133 WeakPolarHBondContact CG2-O 3.26Å; I124-L133 PolarHBondContact O-N 3.26Å; I124-Y137 HydrophobicContact CD1-CD1 3.8Å; I124-Y137 HydrophobicContact CD1-CD2 4.48Å; I124-Y137 HydrophobicContact CD1-CE1 3.95Å; I124-Y137 HydrophobicContact CD1-CG 4.12Å; I124-I144 HydrophobicContact CD1-CD1 3.9Å; I124-I144 HydrophobicContact CG1-CD1 3.7Å; I124-I144 HydrophobicContact CG1-CG2 4.25Å
125	R	94.8	Very high	89.1	Confident	120 Å²	120	64.3 Å²	64.3	45%	0.453	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-130.5	152.7	-171.5	-68.2	174.1	-180	-123.3	8.2	112.1	S122 C123 C127 S130 K131 P132	S122-R125 PolarHBondContact O-NE 2.82Å; S122-R125 PolarHBondContact O-NH2 2.8Å; C123-R125 PolarHBondContact O-N 3.04Å; C123-R125 VanDerWaalsContact O-N 3.11Å; R125-C127 PolarHBondContact O-N 2.83Å; R125-S130 VanDerWaalsContact CD-O 3.31Å; R125-S130 WeakPolarHBondContact CD-O 3.46Å; R125-S130 WeakPolarHBondContact CG-O 3.45Å; R125-S130 PolarHBondContact NH1-O 3.17Å; R125-K131 CarbonylContact C-O 3.57Å; R125-K131 VanDerWaalsContact CA-O 3.26Å; R125-K131 WeakPolarHBondContact CA-O 3.44Å; R125-P132 HydrophobicContact CG-CG 4.48Å
126	C	94.9	Very high	89.3	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.007	37%	0.374	C	S	.	.			trans	-62.1	128.2	168.4	-179.4	0	0	0	0	109.8	V128 S130 K131 L133 C146	C126-V128 PolarHBondContact O-N 3.04Å; C126-V128 PolarHBondContact SG-N 2.87Å; C126-S130 WeakPolarHBondContact O-CA 3.34Å; C126-S130 PolarHBondContact O-N 3.02Å; C126-K131 PolarHBondContact N-O 2.96Å; C126-L133 HydrophobicContact CB-CD1 3.99Å; C126-C146 HydrophobicContact CB-CB 4.14Å; C126-C146 PolarHBondContact SG-N 2.82Å; C126-C146 VanDerWaalsContact SG-N 3.4Å
127	C	93.6	Very high	89.9	Confident	66 Å²	66	64.6 Å²	64.6	45%	0.446	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	0.2	179.4	69.6	0	0	0	0	114.9	R125 I144 Y145	R125-C127 PolarHBondContact O-N 2.83Å; C127-I144 PolarHBondContact N-O 3.08Å; C127-I144 PolarHBondContact SG-O 2.84Å; C127-Y145 WeakPolarHBondContact SG-CE1 3.06Å; C127-Y145 VanDerWaalsContact SG-CZ 3.56Å
128	V	94.3	Very high	90.4	Very high	79 Å²	79	66 Å²	66	48%	0.479	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-51.3	178.4	-176.9	0	0	0	0	111.1	C126 Y145 H149	C126-V128 PolarHBondContact O-N 3.04Å; C126-V128 PolarHBondContact SG-N 2.87Å; V128-Y145 HydrophobicContact CG2-CD1 4.12Å; V128-Y145 HydrophobicContact CG2-CE1 4.12Å; V128-H149 HydrophobicContact CB-CB 4.25Å; V128-H149 HydrophobicContact CG2-CB 4.12Å
129	C	95.5	Very high	90.6	Very high	60 Å²	60	63.7 Å²	63.7	41%	0.405	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	2.2	-177.1	63.4	0	0	0	0	114.9	K131 H149	C129-K131 PolarHBondContact O-N 2.92Å; C129-H149 VanDerWaalsContact CB-CE1 3.49Å; C129-H149 WeakPolarHBondContact CB-CE1 3.07Å; C129-H149 VanDerWaalsContact SG-CE1 3.52Å
130	S	94.8	Very high	90.7	Very high	73 Å²	73	67.4 Å²	67.4	51%	0.51	36%	0.363	S	S	.	.			trans	58.5	11.6	-179.8	-58.1	0	0	0	0	115.6	R125 C126	R125-S130 VanDerWaalsContact CD-O 3.31Å; R125-S130 WeakPolarHBondContact CD-O 3.46Å; R125-S130 WeakPolarHBondContact CG-O 3.45Å; R125-S130 PolarHBondContact NH1-O 3.17Å; C126-S130 WeakPolarHBondContact O-CA 3.34Å; C126-S130 PolarHBondContact O-N 3.02Å
131	K	93.4	Very high	90.7	Very high	127 Å²	127	73.7 Å²	73.7	55%	0.552	39%	0.39	S	S	*	.			trans	-61.6	128.9	174.7	-177	175.8	-179.8	175.8	0	109.7	R125 C126 C129 L133	R125-K131 CarbonylContact C-O 3.57Å; R125-K131 VanDerWaalsContact CA-O 3.26Å; R125-K131 WeakPolarHBondContact CA-O 3.44Å; C126-K131 PolarHBondContact N-O 2.96Å; C129-K131 PolarHBondContact O-N 2.92Å; K131-L133 WeakPolarHBondContact O-CG 3.44Å
132	P	92.2	Very high	90.6	Very high	59 Å²	59	74.5 Å²	74.5	38%	0.383	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-62.5	139.1	172.5	-22.5	33.7	0	0	0	112.3	I124 R125 P134	I124-P132 CarbonylContact O-C 3.56Å; I124-P132 WeakPolarHBondContact O-CA 3.43Å; R125-P132 HydrophobicContact CG-CG 4.48Å; P132-P134 VanDerWaalsContact C-CD 3.46Å
133	L	90.7	Very high	90.7	Very high	14 Å²	14	78.4 Å²	78.4	7%	0.073	41%	0.41	C	S	.	.			trans	-130.7	57.9	-174.1	-59.4	175.6	0	0	0	112.3	I124 C126 K131 K135 I144 C146	I124-L133 WeakPolarHBondContact CG2-O 3.26Å; I124-L133 PolarHBondContact O-N 3.26Å; C126-L133 HydrophobicContact CB-CD1 3.99Å; K131-L133 WeakPolarHBondContact O-CG 3.44Å; L133-K135 PolarHBondContact O-N 3.01Å; L133-K135 VanDerWaalsContact O-N 3.16Å; L133-I144 HydrophobicContact CD1-CG2 4.03Å; L133-C146 HydrophobicContact CD1-CB 4.17Å; L133-C146 HydrophobicContact CD2-CB 3.84Å
134	P	82.3	Confident	90.6	Very high	62 Å²	62	78.1 Å²	78.1	40%	0.403	41%	0.407	S	S	.	.	S	Bend	trans	-69.8	-14	-172.7	29.1	-37.4	0	0	0	114.6	P121 P132	P121-P134 HydrophobicContact CB-CB 3.8Å; P132-P134 VanDerWaalsContact C-CD 3.46Å
135	K	84.6	Confident	90.6	Very high	180 Å²	180	78.1 Å²	78.1	78%	0.783	41%	0.407	S	S	*	.	S	Bend	trans	-117.1	-49.6	-174.3	-64.3	-176.2	-178.6	-178.3	0	113.6	L133	L133-K135 PolarHBondContact O-N 3.01Å; L133-K135 VanDerWaalsContact O-N 3.16Å
136	V	87.6	Confident	90.5	Very high	95 Å²	95	72.7 Å²	72.7	58%	0.576	39%	0.388	S	S	*	.			trans	-131.5	124	-174.5	-177.3	0	0	0	0	108.8	F138	V136-F138 HydrophobicContact CG1-CE2 4.25Å; V136-F138 HydrophobicContact CG1-CZ 4.46Å
137	Y	90.8	Very high	90.3	Very high	75 Å²	75	77.6 Å²	77.6	29%	0.294	41%	0.41	S	S	.	.			trans	-148.4	161.3	177.5	60.2	-90.8	0	0	0	109.8	V112 H113 A114 I124 I144	V112-Y137 HydrophobicContact CG1-CE1 4.05Å; H113-Y137 PolarHBondContact O-OH 3.29Å; A114-Y137 HydrophobicContact CB-CD2 4.47Å; A114-Y137 HydrophobicContact CB-CE2 3.74Å; I124-Y137 HydrophobicContact CD1-CD1 3.8Å; I124-Y137 HydrophobicContact CD1-CD2 4.48Å; I124-Y137 HydrophobicContact CD1-CE1 3.95Å; I124-Y137 HydrophobicContact CD1-CG 4.12Å; Y137-I144 HydrophobicContact CD2-CG2 4.24Å; Y137-I144 HydrophobicContact CG-CG2 4.24Å
138	F	91.3	Very high	90.3	Very high	80 Å²	80	78.8 Å²	78.8	35%	0.351	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	130	176.7	-60.7	-89.9	0	0	0	109.8	V136 I144 Y145 H147 I150	V136-F138 HydrophobicContact CG1-CE2 4.25Å; V136-F138 HydrophobicContact CG1-CZ 4.46Å; F138-I144 CarbonylContact O-C 3.46Å; F138-I144 WeakPolarHBondContact O-CA 3.27Å; F138-Y145 PolarHBondContact N-O 2.99Å; F138-Y145 PolarHBondContact O-N 3.38Å; F138-H147 HydrophobicContact CE2-CB 3.99Å; F138-I150 HydrophobicContact CB-CB 4.05Å; F138-I150 HydrophobicContact CB-CG1 3.95Å; F138-I150 HydrophobicContact CB-CG2 4.01Å; F138-I150 HydrophobicContact CD1-CG2 4.31Å; F138-I150 HydrophobicContact CD2-CG2 3.68Å; F138-I150 HydrophobicContact CE2-CG2 4.23Å; F138-I150 HydrophobicContact CG-CB 4.33Å; F138-I150 HydrophobicContact CG-CG1 4.42Å; F138-I150 HydrophobicContact CG-CG2 3.73Å
139	A	88.5	Confident	90.3	Very high	58 Å²	58	77.2 Å²	77.2	48%	0.479	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.2	177.9	0	0	0	0	0	110.9	L115 R143	L115-A139 HydrophobicContact CD2-CB 3.58Å; A139-R143 WeakPolarHBondContact CA-O 3.44Å
140	W	86.9	Confident	90.1	Very high	99 Å²	99	75.1 Å²	75.1	38%	0.375	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	127.5	173	-177.8	75.8	0	0	0	111.4	G142 R143 Y145 I150	W140-G142 VanDerWaalsContact C-N 3.3Å; W140-G142 PolarHBondContact O-N 2.85Å; W140-R143 PolarHBondContact N-O 2.88Å; W140-R143 PolarHBondContact O-N 3.44Å; W140-R143 VanDerWaalsContact O-N 3.07Å; W140-Y145 HydrophobicContact CB-CD2 4.28Å; W140-Y145 HydrophobicContact CB-CE2 3.93Å; W140-Y145 HydrophobicContact CE3-CE2 4.34Å; W140-I150 HydrophobicContact CB-CD1 3.94Å
141	K	87.6	Confident	89.8	Confident	170 Å²	170	75 Å²	75	74%	0.739	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	50.9	-175.7	-69	-168.6	172.9	-170.1	0	112.9	R143	K141-R143 PolarHBondContact O-N 2.86Å
142	G	86.5	Confident	89.4	Confident	58 Å²	58	73.9 Å²	73.9	60%	0.598	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	13.2	177.5	0	0	0	0	0	115.3	L115 W140	L115-G142 WeakPolarHBondContact CD1-O 3.5Å; W140-G142 VanDerWaalsContact C-N 3.3Å; W140-G142 PolarHBondContact O-N 2.85Å
143	R	90.2	Very high	88.7	Confident	147 Å²	147	75.4 Å²	75.4	56%	0.555	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	153.3	178.7	-64.7	-175.5	-177.9	172.1	3.6	111.5	A139 W140 K141 Y145	A139-R143 WeakPolarHBondContact CA-O 3.44Å; W140-R143 PolarHBondContact N-O 2.88Å; W140-R143 PolarHBondContact O-N 3.44Å; W140-R143 VanDerWaalsContact O-N 3.07Å; K141-R143 PolarHBondContact O-N 2.86Å; R143-Y145 HydrophobicContact CB-CE2 3.73Å; R143-Y145 WeakPolarHBondContact CB-OH 3.37Å; R143-Y145 WeakPolarHBondContact O-CE2 3.44Å
144	I	90.2	Very high	88.1	Confident	16 Å²	16	83 Å²	83	8%	0.082	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	133.6	-175.1	-57.4	-177.9	0	0	0	110.3	A114 L115 I124 C127 L133 Y137 F138	A114-I144 HydrophobicContact CB-CD1 3.98Å; L115-I144 HydrophobicContact CD1-CD1 4.08Å; L115-I144 HydrophobicContact CD1-CG1 3.73Å; L115-I144 HydrophobicContact CG-CG1 4.29Å; I124-I144 HydrophobicContact CD1-CD1 3.9Å; I124-I144 HydrophobicContact CG1-CD1 3.7Å; I124-I144 HydrophobicContact CG1-CG2 4.25Å; C127-I144 PolarHBondContact N-O 3.08Å; C127-I144 PolarHBondContact SG-O 2.84Å; L133-I144 HydrophobicContact CD1-CG2 4.03Å; Y137-I144 HydrophobicContact CD2-CG2 4.24Å; Y137-I144 HydrophobicContact CG-CG2 4.24Å; F138-I144 CarbonylContact O-C 3.46Å; F138-I144 WeakPolarHBondContact O-CA 3.27Å
145	Y	91.3	Very high	87.7	Confident	1 Å²	1	84.4 Å²	84.4	0%	0.004	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.8	-177.7	-57.5	-89.4	0	0	0	111.4	C127 V128 F138 W140 R143 H149 I150 R153	C127-Y145 WeakPolarHBondContact SG-CE1 3.06Å; C127-Y145 VanDerWaalsContact SG-CZ 3.56Å; V128-Y145 HydrophobicContact CG2-CD1 4.12Å; V128-Y145 HydrophobicContact CG2-CE1 4.12Å; F138-Y145 PolarHBondContact N-O 2.99Å; F138-Y145 PolarHBondContact O-N 3.38Å; W140-Y145 HydrophobicContact CB-CD2 4.28Å; W140-Y145 HydrophobicContact CB-CE2 3.93Å; W140-Y145 HydrophobicContact CE3-CE2 4.34Å; R143-Y145 HydrophobicContact CB-CE2 3.73Å; R143-Y145 WeakPolarHBondContact CB-OH 3.37Å; R143-Y145 WeakPolarHBondContact O-CE2 3.44Å; Y145-H149 HydrophobicContact CD1-CB 4.37Å; Y145-I150 HydrophobicContact CD2-CD1 3.98Å; Y145-I150 HydrophobicContact CG-CD1 4.23Å; Y145-R153 VanDerWaalsContact CE1-CD 3.49Å; Y145-R153 PolarHBondContact OH-NH1 3.05Å
146	C	93.5	Very high	87.1	Confident	7 Å²	7	78.3 Å²	78.3	5%	0.047	39%	0.388	C	S	.	.			trans	-75.6	169.8	161.8	71.3	0	0	0	0	110.3	C126 L133 D148 H149 I150	C126-C146 HydrophobicContact CB-CB 4.14Å; C126-C146 PolarHBondContact SG-N 2.82Å; C126-C146 VanDerWaalsContact SG-N 3.4Å; L133-C146 HydrophobicContact CD1-CB 4.17Å; L133-C146 HydrophobicContact CD2-CB 3.84Å; C146-D148 VanDerWaalsContact C-N 3.33Å; C146-D148 PolarHBondContact O-N 3.12Å; C146-H149 PolarHBondContact O-N 2.89Å; C146-H149 PolarHBondContact SG-ND1 3.47Å; C146-I150 WeakPolarHBondContact O-CG2 3.37Å; C146-I150 PolarHBondContact O-N 3.42Å
147	H	91.1	Very high	86.3	Confident	104 Å²	104	77.2 Å²	77.2	48%	0.481	38%	0.382	S	S	.	.	H	α-helix	trans	-50.5	-48.8	176.7	177.3	-94.3	0	0	0	113.3	F138 H149 I150 I151	F138-H147 HydrophobicContact CE2-CB 3.99Å; H147-H149 PolarHBondContact O-N 3.31Å; H147-I150 WeakPolarHBondContact O-CG2 3.39Å; H147-I150 PolarHBondContact O-N 3.02Å; H147-I151 WeakPolarHBondContact CE1-CD1 3.27Å; H147-I151 WeakPolarHBondContact NE2-CD1 3.12Å; H147-I151 WeakPolarHBondContact O-CG1 3.46Å; H147-I151 PolarHBondContact O-N 3.42Å
148	D	93.7	Very high	85.5	Confident	91 Å²	91	80.3 Å²	80.3	49%	0.487	40%	0.397	S	S	.	.	H	α-helix	trans	-68	-45.1	-173	-47.7	-37.5	0	0	0	111.3	C146 I151 I152	C146-D148 VanDerWaalsContact C-N 3.33Å; C146-D148 PolarHBondContact O-N 3.12Å; D148-I151 PolarHBondContact O-N 2.97Å; D148-I152 VanDerWaalsContact O-CG1 3.29Å; D148-I152 WeakPolarHBondContact O-CG1 3.48Å; D148-I152 PolarHBondContact O-N 3.36Å
149	H	93.7	Very high	84.6	Confident	46 Å²	46	81.8 Å²	81.8	21%	0.213	41%	0.408	C	S	.	.	H	α-helix	trans	-73.5	-30.5	-178.5	-68	117.3	0	0	0	113.4	V128 C129 Y145 C146 H147 I151 R153	V128-H149 HydrophobicContact CB-CB 4.25Å; V128-H149 HydrophobicContact CG2-CB 4.12Å; C129-H149 VanDerWaalsContact CB-CE1 3.49Å; C129-H149 WeakPolarHBondContact CB-CE1 3.07Å; C129-H149 VanDerWaalsContact SG-CE1 3.52Å; Y145-H149 HydrophobicContact CD1-CB 4.37Å; C146-H149 PolarHBondContact O-N 2.89Å; C146-H149 PolarHBondContact SG-ND1 3.47Å; H147-H149 PolarHBondContact O-N 3.31Å; H149-I151 VanDerWaalsContact C-N 3.34Å; H149-R153 WeakPolarHBondContact O-CG 3.5Å; H149-R153 PolarHBondContact O-N 2.79Å; H149-R153 VanDerWaalsContact O-N 3.12Å
150	I	90.6	Very high	83.8	Confident	16 Å²	16	86.4 Å²	86.4	8%	0.082	41%	0.413	C	S	.	.	H	α-helix	trans	-68.1	-37.7	174.1	-167.7	62.5	0	0	0	111.1	F138 W140 Y145 C146 H147 R153 R154	F138-I150 HydrophobicContact CB-CB 4.05Å; F138-I150 HydrophobicContact CB-CG1 3.95Å; F138-I150 HydrophobicContact CB-CG2 4.01Å; F138-I150 HydrophobicContact CD1-CG2 4.31Å; F138-I150 HydrophobicContact CD2-CG2 3.68Å; F138-I150 HydrophobicContact CE2-CG2 4.23Å; F138-I150 HydrophobicContact CG-CB 4.33Å; F138-I150 HydrophobicContact CG-CG1 4.42Å; F138-I150 HydrophobicContact CG-CG2 3.73Å; W140-I150 HydrophobicContact CB-CD1 3.94Å; Y145-I150 HydrophobicContact CD2-CD1 3.98Å; Y145-I150 HydrophobicContact CG-CD1 4.23Å; C146-I150 WeakPolarHBondContact O-CG2 3.37Å; C146-I150 PolarHBondContact O-N 3.42Å; H147-I150 WeakPolarHBondContact O-CG2 3.39Å; H147-I150 PolarHBondContact O-N 3.02Å; I150-R153 PolarHBondContact O-N 3.46Å; I150-R154 WeakPolarHBondContact O-CG 3.47Å; I150-R154 PolarHBondContact O-N 2.86Å
151	I	89.7	Confident	82.7	Confident	69 Å²	69	88.7 Å²	88.7	35%	0.354	42%	0.421	S	S	.	.	H	α-helix	trans	-65.5	-49.7	177.1	-70.4	173.1	0	0	0	110.4	H147 D148 H149 R153 R154 I155	H147-I151 WeakPolarHBondContact CE1-CD1 3.27Å; H147-I151 WeakPolarHBondContact NE2-CD1 3.12Å; H147-I151 WeakPolarHBondContact O-CG1 3.46Å; H147-I151 PolarHBondContact O-N 3.42Å; D148-I151 PolarHBondContact O-N 2.97Å; H149-I151 VanDerWaalsContact C-N 3.34Å; I151-R153 VanDerWaalsContact C-N 3.27Å; I151-R153 PolarHBondContact O-N 3.21Å; I151-R154 PolarHBondContact O-N 2.97Å; I151-I155 HydrophobicContact CG2-CD1 3.64Å; I151-I155 HydrophobicContact CG2-CG1 4.26Å; I151-I155 WeakPolarHBondContact O-CG1 3.26Å; I151-I155 PolarHBondContact O-N 3.46Å
152	I	84.3	Confident	81.8	Confident	104 Å²	104	85.8 Å²	85.8	53%	0.533	41%	0.41	S	S	.	.	H	α-helix	trans	-54.9	-45	178.4	-68.3	165.2	0	0	0	110.5	D148 R154 I155 A156	D148-I152 VanDerWaalsContact O-CG1 3.29Å; D148-I152 WeakPolarHBondContact O-CG1 3.48Å; D148-I152 PolarHBondContact O-N 3.36Å; I152-R154 PolarHBondContact O-N 3.43Å; I152-I155 PolarHBondContact O-N 3.11Å; I152-A156 VanDerWaalsContact O-CB 3.27Å; I152-A156 WeakPolarHBondContact O-CB 3.4Å; I152-A156 PolarHBondContact O-N 3.18Å
153	R	78.1	Confident	81.4	Confident	91 Å²	91	89.2 Å²	89.2	34%	0.343	41%	0.405	S	S	.	.	H	α-helix	trans	-63.4	-42.1	176.7	-71.4	-164.8	94.5	140.5	15.5	112.8	Y145 H149 I150 I151 A156 V157	Y145-R153 VanDerWaalsContact CE1-CD 3.49Å; Y145-R153 PolarHBondContact OH-NH1 3.05Å; H149-R153 WeakPolarHBondContact O-CG 3.5Å; H149-R153 PolarHBondContact O-N 2.79Å; H149-R153 VanDerWaalsContact O-N 3.12Å; I150-R153 PolarHBondContact O-N 3.46Å; I151-R153 VanDerWaalsContact C-N 3.27Å; I151-R153 PolarHBondContact O-N 3.21Å; R153-A156 PolarHBondContact O-N 3.39Å; R153-V157 WeakPolarHBondContact O-CB 3.25Å; R153-V157 WeakPolarHBondContact O-CG2 3.39Å; R153-V157 PolarHBondContact O-N 3.11Å
154	R	77	Confident	80.6	Confident	175 Å²	175	84.8 Å²	84.8	66%	0.66	39%	0.392	S	S	*	.	H	α-helix	trans	-65.9	-39.5	179.3	-71.7	-178.2	79.3	159.7	4.3	112	I150 I151 I152 K158	I150-R154 WeakPolarHBondContact O-CG 3.47Å; I150-R154 PolarHBondContact O-N 2.86Å; I151-R154 PolarHBondContact O-N 2.97Å; I152-R154 PolarHBondContact O-N 3.43Å; R154-K158 WeakPolarHBondContact O-CG 3.42Å; R154-K158 PolarHBondContact O-N 3.44Å; R154-K158 VanDerWaalsContact O-N 3.14Å
155	I	74.3	Confident	79.9	Confident	90 Å²	90	90.3 Å²	90.3	46%	0.462	42%	0.415	S	S	.	.	H	α-helix	trans	-68	-48.3	176.1	-65	173.5	0	0	0	110.1	I151 I152 V157 K158 L159	I151-I155 HydrophobicContact CG2-CD1 3.64Å; I151-I155 HydrophobicContact CG2-CG1 4.26Å; I151-I155 WeakPolarHBondContact O-CG1 3.26Å; I151-I155 PolarHBondContact O-N 3.46Å; I152-I155 PolarHBondContact O-N 3.11Å; I155-V157 VanDerWaalsContact C-N 3.32Å; I155-V157 PolarHBondContact O-N 3.22Å; I155-K158 WeakPolarHBondContact O-CB 3.39Å; I155-K158 PolarHBondContact O-N 3.39Å; I155-K158 VanDerWaalsContact O-N 3.09Å; I155-L159 HydrophobicContact CG2-CD1 3.81Å; I155-L159 HydrophobicContact CG2-CG 4.12Å; I155-L159 WeakPolarHBondContact O-CG 3.44Å; I155-L159 PolarHBondContact O-N 3.37Å
156	A	72.9	Confident	78.9	Confident	53 Å²	53	98 Å²	98	44%	0.438	45%	0.451	S	S	.	.	H	α-helix	trans	-58.7	-42.2	179.3	0	0	0	0	0	112.3	I152 R153 L159 W160	I152-A156 VanDerWaalsContact O-CB 3.27Å; I152-A156 WeakPolarHBondContact O-CB 3.4Å; I152-A156 PolarHBondContact O-N 3.18Å; R153-A156 PolarHBondContact O-N 3.39Å; A156-L159 PolarHBondContact O-N 3.42Å; A156-W160 VanDerWaalsContact O-CB 3.25Å; A156-W160 WeakPolarHBondContact O-CB 3.33Å; A156-W160 PolarHBondContact O-N 2.84Å
157	V	70.2	Confident	77.4	Confident	72 Å²	72	106 Å²	106	44%	0.436	48%	0.481	S	S	.	.	H	α-helix	trans	-64	-41.1	175.5	171.3	0	0	0	0	111.4	R153 I155 W161	R153-V157 WeakPolarHBondContact O-CB 3.25Å; R153-V157 WeakPolarHBondContact O-CG2 3.39Å; R153-V157 PolarHBondContact O-N 3.11Å; I155-V157 VanDerWaalsContact C-N 3.32Å; I155-V157 PolarHBondContact O-N 3.22Å; V157-W161 WeakPolarHBondContact O-CB 3.17Å; V157-W161 PolarHBondContact O-N 3.26Å
158	K	73.7	Confident	75.5	Confident	140 Å²	140	114.5 Å²	114.5	61%	0.609	51%	0.509	S	S	*	.	H	α-helix	trans	-62.8	-50.3	175.2	-78.8	-176.5	175.9	-171.4	0	111.7	R154 I155 W160 W161 H162	R154-K158 WeakPolarHBondContact O-CG 3.42Å; R154-K158 PolarHBondContact O-N 3.44Å; R154-K158 VanDerWaalsContact O-N 3.14Å; I155-K158 WeakPolarHBondContact O-CB 3.39Å; I155-K158 PolarHBondContact O-N 3.39Å; I155-K158 VanDerWaalsContact O-N 3.09Å; K158-W160 VanDerWaalsContact C-N 3.34Å; K158-W160 PolarHBondContact O-N 3.34Å; K158-W161 WeakPolarHBondContact O-CB 3.26Å; K158-W161 PolarHBondContact O-N 3.29Å; K158-H162 PolarHBondContact O-CD2 3.4Å; K158-H162 PolarHBondContact O-N 3.42Å
159	L	73.1	Confident	74.6	Confident	111 Å²	111	115.7 Å²	115.7	58%	0.581	51%	0.51	S	S	*	.	H	α-helix	trans	-62.8	-40.8	-179	-68	178.4	0	0	0	111.8	I155 A156 W161 H162 W163	I155-L159 HydrophobicContact CG2-CD1 3.81Å; I155-L159 HydrophobicContact CG2-CG 4.12Å; I155-L159 WeakPolarHBondContact O-CG 3.44Å; I155-L159 PolarHBondContact O-N 3.37Å; A156-L159 PolarHBondContact O-N 3.42Å; L159-W161 VanDerWaalsContact C-N 3.33Å; L159-W161 PolarHBondContact O-N 2.81Å; L159-H162 PolarHBondContact O-N 3.28Å; L159-W163 PolarHBondContact O-N 3.36Å
160	W	70.6	Confident	73.6	Confident	154 Å²	154	119.4 Å²	119.4	58%	0.583	53%	0.526	S	S	*	.	H	α-helix	trans	-61.8	-40.8	174.4	-177.5	76.9	0	0	0	112.2	A156 K158 H162 W163 L164	A156-W160 VanDerWaalsContact O-CB 3.25Å; A156-W160 WeakPolarHBondContact O-CB 3.33Å; A156-W160 PolarHBondContact O-N 2.84Å; K158-W160 VanDerWaalsContact C-N 3.34Å; K158-W160 PolarHBondContact O-N 3.34Å; W160-H162 PolarHBondContact O-N 2.92Å; W160-W163 PolarHBondContact O-N 3.19Å; W160-L164 HydrophobicContact CD2-CD1 3.85Å; W160-L164 HydrophobicContact CD2-CG 4.46Å; W160-L164 HydrophobicContact CE3-CD1 3.74Å; W160-L164 HydrophobicContact CH2-CD1 3.33Å; W160-L164 HydrophobicContact CZ2-CD1 3.43Å; W160-L164 VanDerWaalsContact CZ2-CD1 3.43Å; W160-L164 HydrophobicContact CZ2-CG 4.29Å; W160-L164 HydrophobicContact CZ3-CD1 3.49Å; W160-L164 VanDerWaalsContact CZ3-CD1 3.49Å; W160-L164 PolarHBondContact O-N 2.97Å
161	W	64.4	Low	72.7	Confident	148 Å²	148	125.1 Å²	125.1	56%	0.561	55%	0.55	S	S	*	*	H	α-helix	trans	-61.5	-43.1	173.9	-132.4	102.8	0	0	0	112	V157 K158 L159 L164 K165	V157-W161 WeakPolarHBondContact O-CB 3.17Å; V157-W161 PolarHBondContact O-N 3.26Å; K158-W161 WeakPolarHBondContact O-CB 3.26Å; K158-W161 PolarHBondContact O-N 3.29Å; L159-W161 VanDerWaalsContact C-N 3.33Å; L159-W161 PolarHBondContact O-N 2.81Å; W161-L164 PolarHBondContact O-N 3.19Å; W161-K165 HydrophobicContact CE3-CD 3.6Å; W161-K165 HydrophobicContact CE3-CG 3.73Å; W161-K165 HydrophobicContact CZ3-CD 3.43Å; W161-K165 VanDerWaalsContact CZ3-CD 3.43Å; W161-K165 HydrophobicContact CZ3-CG 3.48Å; W161-K165 VanDerWaalsContact CZ3-CG 3.48Å; W161-K165 PolarHBondContact O-N 3.23Å
162	H	69.3	Low	71.7	Confident	109 Å²	109	128.4 Å²	128.4	51%	0.505	56%	0.562	S	S	.	*	H	α-helix	trans	-64.4	-42.3	176.8	-78.6	-71.7	0	0	0	112.3	K158 L159 W160 L164 K165 Q166	K158-H162 PolarHBondContact O-CD2 3.4Å; K158-H162 PolarHBondContact O-N 3.42Å; L159-H162 PolarHBondContact O-N 3.28Å; W160-H162 PolarHBondContact O-N 2.92Å; H162-L164 VanDerWaalsContact C-N 3.35Å; H162-K165 PolarHBondContact O-N 3.31Å; H162-Q166 PolarHBondContact O-N 3.09Å
163	W	77.9	Confident	70.9	Confident	129 Å²	129	129.9 Å²	129.9	49%	0.489	56%	0.564	S	S	.	*	H	α-helix	trans	-62.8	-40.7	175.9	179.4	85.1	0	0	0	112.1	L159 W160 K165 Q166	L159-W163 PolarHBondContact O-N 3.36Å; W160-W163 PolarHBondContact O-N 3.19Å; W163-K165 PolarHBondContact O-N 3.1Å; W163-Q166 PolarHBondContact O-N 3.09Å
164	L	72.6	Confident	70.4	Confident	54 Å²	54	132.5 Å²	132.5	28%	0.283	58%	0.578	S	S	.	*	H	α-helix	trans	-63.3	-39.9	174.6	-83.4	175	0	0	0	113.1	W160 W161 H162 Q166 R167	W160-L164 HydrophobicContact CD2-CD1 3.85Å; W160-L164 HydrophobicContact CD2-CG 4.46Å; W160-L164 HydrophobicContact CE3-CD1 3.74Å; W160-L164 HydrophobicContact CH2-CD1 3.33Å; W160-L164 HydrophobicContact CZ2-CD1 3.43Å; W160-L164 VanDerWaalsContact CZ2-CD1 3.43Å; W160-L164 HydrophobicContact CZ2-CG 4.29Å; W160-L164 HydrophobicContact CZ3-CD1 3.49Å; W160-L164 VanDerWaalsContact CZ3-CD1 3.49Å; W160-L164 PolarHBondContact O-N 2.97Å; W161-L164 PolarHBondContact O-N 3.19Å; H162-L164 VanDerWaalsContact C-N 3.35Å; L164-Q166 PolarHBondContact O-N 3.01Å; L164-R167 PolarHBondContact O-N 3.48Å; L164-R167 VanDerWaalsContact O-N 3.13Å
165	K	75	Confident	70	Confident	132 Å²	132	129.5 Å²	129.5	57%	0.574	57%	0.572	S	S	*	*	H	α-helix	trans	-63.4	-22.2	176.8	-96.4	178.1	156.3	164.5	0	114.3	W161 H162 W163 R167	W161-K165 HydrophobicContact CE3-CD 3.6Å; W161-K165 HydrophobicContact CE3-CG 3.73Å; W161-K165 HydrophobicContact CZ3-CD 3.43Å; W161-K165 VanDerWaalsContact CZ3-CD 3.43Å; W161-K165 HydrophobicContact CZ3-CG 3.48Å; W161-K165 VanDerWaalsContact CZ3-CG 3.48Å; W161-K165 PolarHBondContact O-N 3.23Å; H162-K165 PolarHBondContact O-N 3.31Å; W163-K165 PolarHBondContact O-N 3.1Å; K165-R167 VanDerWaalsContact C-N 3.32Å
166	Q	72.2	Confident	69.6	Low	162 Å²	162	132.5 Å²	132.5	76%	0.757	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-1.6	178.3	-66.9	-179.5	16.3	0	0	112.6	H162 W163 L164	H162-Q166 PolarHBondContact O-N 3.09Å; W163-Q166 PolarHBondContact O-N 3.09Å; L164-Q166 PolarHBondContact O-N 3.01Å
167	R	61.7	Low	69.3	Low	177 Å²	177	139.2 Å²	139.2	67%	0.668	59%	0.593	S	S	*	*			trans	-104.2	3.5	-177	-126.8	-179.6	172.9	-170.1	-3.3	113.8	L164 K165	L164-R167 PolarHBondContact O-N 3.48Å; L164-R167 VanDerWaalsContact O-N 3.13Å; K165-R167 VanDerWaalsContact C-N 3.32Å
168	W	51.5	Low	69.3	Low	282 Å²	282	145.3 Å²	145.3	100%	1.068	61%	0.607	S	S	*	*			trans	-136.3	0	173.6	-61.5	91.6	0	0	0	108.2

Retrieved 168 of 168 residues in 136.2 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).