A0A077Z7C8_TRITR Loading...

DUF7596 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z7C8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 346 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	30.4	Very low	24.5	Very low	248 Å²	248	158.2 Å²	158.2	100%	1.222	86%	0.858	S	S	*	*				0	80.3	0	-75.8	-178.8	-165	0	0	108.2
2	L	22.7	Very low	24.7	Very low	171 Å²	171	162 Å²	162	90%	0.895	86%	0.861	S	S	*	*			trans	-138.4	117.4	170.4	-86.3	165	0	0	0	105.5	N4	L2-N4 PolarHBondContact O-N 3.36Å
3	D	23.3	Very low	24.7	Very low	165 Å²	165	162.9 Å²	162.9	88%	0.882	86%	0.857	S	S	*	*			trans	-63.3	126	-175.6	-97.6	-36.7	0	0	0	111.3
4	N	22.6	Very low	24.7	Very low	155 Å²	155	158.4 Å²	158.4	83%	0.829	84%	0.842	S	S	*	*			trans	-84.8	105.2	164.2	-89.4	-33.2	0	0	0	108.3	L2	L2-N4 PolarHBondContact O-N 3.36Å
5	C	25	Very low	25.1	Very low	113 Å²	113	154.1 Å²	154.1	76%	0.764	84%	0.838	S	S	*	*			trans	-115.7	79.4	159.6	-87.7	0	0	0	0	109.5
6	R	22	Very low	25.2	Very low	248 Å²	248	149.5 Å²	149.5	94%	0.936	83%	0.827	S	S	*	*			trans	-86.3	104.3	149.5	-80.6	-176.2	175.6	-174.2	-1.4	106.9
7	T	26.9	Very low	25.4	Very low	119 Å²	119	148.8 Å²	148.8	73%	0.73	82%	0.822	S	S	*	*			trans	-114	108	164.6	34	0	0	0	0	108.4
8	A	26	Very low	25.5	Very low	89 Å²	89	143.6 Å²	143.6	74%	0.736	81%	0.808	S	S	*	*			trans	-68.5	147.1	172.2	0	0	0	0	0	111
9	W	23.4	Very low	25.6	Very low	240 Å²	240	145.1 Å²	145.1	91%	0.909	81%	0.805	S	S	*	*			trans	-140.3	130.2	153.6	-86.4	77.5	0	0	0	112.5
10	P	25.6	Very low	25.8	Very low	116 Å²	116	145.2 Å²	145.2	75%	0.753	80%	0.803	S	S	*	*			trans	-92.8	144.4	174.5	35.8	-29.5	0	0	0	112
11	G	21.3	Very low	25.8	Very low	76 Å²	76	147.9 Å²	147.9	78%	0.784	80%	0.801	S	S	*	*	S	Bend	trans	86.4	116.6	169.1	0	0	0	0	0	115.3
12	F	27.2	Very low	25.7	Very low	204 Å²	204	139.2 Å²	139.2	90%	0.895	76%	0.758	S	S	*	*			trans	-1	136.7	163.9	-83.2	-92.7	0	0	0	118.2
13	Q	24	Very low	25.9	Very low	174 Å²	174	138.7 Å²	138.7	81%	0.813	75%	0.75	S	S	*	*				-177.7	179.1	77.5	-81.2	-164.9	-14.6	0	0	110
14	P	25.9	Very low	26.2	Very low	99 Å²	99	132.6 Å²	132.6	64%	0.643	72%	0.719	S	S	*	*				-118.8	160.9	-60.9	32.2	-16.5	0	0	0	109.3	A16	P14-A16 PolarHBondContact O-N 2.87Å
15	A	30.6	Very low	26.4	Very low	94 Å²	94	126.8 Å²	126.8	78%	0.777	69%	0.691	S	S	*	*			trans	-68.8	89	166	0	0	0	0	0	109.4	N17	A15-N17 PolarHBondContact O-N 2.99Å
16	A	26.7	Very low	26.7	Very low	81 Å²	81	124.9 Å²	124.9	67%	0.669	67%	0.67	S	S	*	*	S	Bend	trans	-60.7	119.3	162.4	0	0	0	0	0	107.2	P14	P14-A16 PolarHBondContact O-N 2.87Å
17	N	27.5	Very low	27.1	Very low	137 Å²	137	115.3 Å²	115.3	73%	0.733	64%	0.635	S	S	*	*	S	Bend	trans	78.9	65.3	-171.2	-48.2	-33.4	0	0	0	114.3	A15 F19	A15-N17 PolarHBondContact O-N 2.99Å; N17-F19 HydrophobicContact CB-CD2 4.22Å; N17-F19 HydrophobicContact CB-CE2 4.23Å; N17-F19 PolarHBondContact O-N 3.03Å
18	G	28.2	Very low	27.6	Very low	55 Å²	55	117.6 Å²	117.6	57%	0.567	63%	0.63	S	S	*	*			trans	-62.6	80.6	157.8	0	0	0	0	0	110.8
19	F	27.5	Very low	28	Very low	173 Å²	173	118.1 Å²	118.1	76%	0.759	62%	0.624	S	S	*	*			trans	-58.6	131.9	158.3	-84.3	-88.9	0	0	0	107.9	N17 R21	N17-F19 HydrophobicContact CB-CD2 4.22Å; N17-F19 HydrophobicContact CB-CE2 4.23Å; N17-F19 PolarHBondContact O-N 3.03Å; F19-R21 PolarHBondContact O-N 3.21Å
20	L	28.7	Very low	28.6	Very low	147 Å²	147	112.1 Å²	112.1	77%	0.77	61%	0.61	S	S	*	*			trans	-36.6	105.1	169.3	-78.3	139.5	0	0	0	110.6
21	R	27	Very low	29.1	Very low	201 Å²	201	108.8 Å²	108.8	76%	0.758	59%	0.585	S	S	*	*			trans	-117.4	76	171.5	-79	-170.7	-179.8	-172.4	1.2	108.9	F19	F19-R21 PolarHBondContact O-N 3.21Å
22	H	28.4	Very low	29.6	Very low	67 Å²	67	107.8 Å²	107.8	31%	0.31	56%	0.562	S	S	.	*			trans	-125.2	86	155	-66.9	-51.2	0	0	0	106.9	E93	H22-E93 IonicContact CD2-OE1 3.3Å; H22-E93 PolarHBondContact CD2-OE1 3.48Å; H22-E93 VanDerWaalsContact CD2-OE1 3.3Å
23	Q	26.6	Very low	30	Very low	159 Å²	159	100.9 Å²	100.9	74%	0.743	54%	0.539	S	S	*	.			trans	-99.1	77.9	166.5	-157.7	177.7	15.1	0	0	108.4	S25	Q23-S25 PolarHBondContact O-N 2.97Å
24	V	29.2	Very low	30.6	Very low	38 Å²	38	95 Å²	95	23%	0.23	51%	0.511	C	S	.	.			trans	-74	103	162.9	-173.2	0	0	0	0	106.3	F26 I341	V24-F26 HydrophobicContact CB-CD2 4.2Å; V24-F26 HydrophobicContact CB-CE2 3.78Å; V24-F26 HydrophobicContact CG1-CD2 3.73Å; V24-F26 HydrophobicContact CG1-CE2 3.19Å; V24-F26 HydrophobicContact CG1-CZ 3.67Å; V24-F26 PolarHBondContact O-N 3.04Å; V24-F26 VanDerWaalsContact O-N 3.1Å; V24-I341 HydrophobicContact CG1-CD1 4.23Å; V24-I341 HydrophobicContact CG1-CG2 4.09Å
25	S	26.3	Very low	30.9	Very low	32 Å²	32	93.7 Å²	93.7	22%	0.224	50%	0.498	C	S	.	.			trans	-79.2	92.8	178	40	0	0	0	0	110.3	Q23 K261	Q23-S25 PolarHBondContact O-N 2.97Å; S25-K261 PolarHBondContact O-NZ 3.03Å; S25-K261 WeakPolarHBondContact OG-CD 3.42Å; S25-K261 VanDerWaalsContact OG-CE 3.31Å; S25-K261 WeakPolarHBondContact OG-CE 3.48Å; S25-K261 PolarHBondContact OG-NZ 3.41Å
26	F	32.1	Very low	31.1	Very low	74 Å²	74	96.1 Å²	96.1	33%	0.325	49%	0.491	S	S	.	.			trans	-73.2	150.6	163.2	-70	-87.6	0	0	0	110	V24 W28 I31 C90	V24-F26 HydrophobicContact CB-CD2 4.2Å; V24-F26 HydrophobicContact CB-CE2 3.78Å; V24-F26 HydrophobicContact CG1-CD2 3.73Å; V24-F26 HydrophobicContact CG1-CE2 3.19Å; V24-F26 HydrophobicContact CG1-CZ 3.67Å; V24-F26 PolarHBondContact O-N 3.04Å; V24-F26 VanDerWaalsContact O-N 3.1Å; F26-W28 PolarHBondContact O-N 3.29Å; F26-I31 HydrophobicContact CB-CD1 3.48Å; F26-I31 VanDerWaalsContact CB-CD1 3.48Å; F26-I31 HydrophobicContact CG-CD1 4.04Å; F26-C90 HydrophobicContact CE2-CB 4.26Å; F26-C90 HydrophobicContact CZ-CB 3.66Å; F26-C90 VanDerWaalsContact CZ-SG 3.58Å
27	K	30.5	Very low	31.6	Very low	46 Å²	46	100.7 Å²	100.7	20%	0.2	50%	0.496	C	S	.	.			trans	-66.4	106.6	171.6	-98.3	-174.5	174.9	161	0	108.5	T29 D30 T258 M263	K27-T29 PolarHBondContact O-N 3.17Å; K27-T29 VanDerWaalsContact O-N 3.17Å; K27-D30 PolarHBondContact O-N 3.24Å; K27-T258 HydrophobicContact CD-CG2 3.85Å; K27-T258 HydrophobicContact CG-CG2 3.64Å; K27-M263 HydrophobicContact CB-SD 4.47Å; K27-M263 HydrophobicContact CD-CE 4.34Å; K27-M263 HydrophobicContact CD-CG 4.49Å; K27-M263 HydrophobicContact CD-SD 3.17Å; K27-M263 WeakPolarHBondContact CD-SD 3.12Å; K27-M263 WeakPolarHBondContact CE-SD 3.5Å; K27-M263 HydrophobicContact CG-CE 4.4Å; K27-M263 HydrophobicContact CG-SD 3.48Å; K27-M263 WeakPolarHBondContact CG-SD 3.03Å; K27-M263 PolarHBondContact NZ-SD 2.9Å
28	W	36.3	Very low	31.9	Very low	168 Å²	168	97.4 Å²	97.4	64%	0.636	49%	0.487	S	S	*	.	H	α-helix	trans	-60.5	-24.2	-173.4	-99	99.7	0	0	0	114.4	F26 D30 I31 D32 L35	F26-W28 PolarHBondContact O-N 3.29Å; W28-D30 VanDerWaalsContact C-N 3.27Å; W28-D30 PolarHBondContact O-N 2.88Å; W28-I31 HydrophobicContact CE3-CB 4.32Å; W28-I31 HydrophobicContact CE3-CG2 4.04Å; W28-I31 HydrophobicContact CZ3-CG2 3.92Å; W28-I31 CarbonylContact O-C 3.44Å; W28-I31 PolarHBondContact O-N 3.36Å; W28-D32 HydrophobicContact CE3-CB 4.41Å; W28-D32 WeakPolarHBondContact O-CA 3.5Å; W28-D32 WeakPolarHBondContact O-CB 3.36Å; W28-D32 PolarHBondContact O-N 2.89Å; W28-L35 HydrophobicContact CE3-CD1 4.48Å; W28-L35 HydrophobicContact CH2-CD1 4.26Å; W28-L35 HydrophobicContact CZ3-CD1 3.55Å
29	T	34.7	Very low	32	Very low	99 Å²	99	97.3 Å²	97.3	61%	0.607	48%	0.481	S	S	*	.	H	α-helix	trans	-64.8	-30.9	-179.1	44.2	0	0	0	0	113.4	K27 S33	K27-T29 PolarHBondContact O-N 3.17Å; K27-T29 VanDerWaalsContact O-N 3.17Å; T29-S33 WeakPolarHBondContact O-CB 3.4Å; T29-S33 PolarHBondContact O-N 3.2Å; T29-S33 VanDerWaalsContact O-N 3.08Å
30	D	35.7	Very low	32.2	Very low	114 Å²	114	93.4 Å²	93.4	61%	0.61	47%	0.473	S	S	*	.	H	α-helix	trans	-79.5	-36.1	178.4	-57.2	-34.8	0	0	0	110.6	K27 W28 F34	K27-D30 PolarHBondContact O-N 3.24Å; W28-D30 VanDerWaalsContact C-N 3.27Å; W28-D30 PolarHBondContact O-N 2.88Å; D30-F34 WeakPolarHBondContact O-CB 3.37Å; D30-F34 PolarHBondContact O-N 2.68Å
31	I	36.5	Very low	32.6	Very low	46 Å²	46	93 Å²	93	24%	0.236	48%	0.482	C	S	.	.	H	α-helix	trans	-73.2	-32	172.1	-65	179.7	0	0	0	111.9	F26 W28 F34 L35	F26-I31 HydrophobicContact CB-CD1 3.48Å; F26-I31 VanDerWaalsContact CB-CD1 3.48Å; F26-I31 HydrophobicContact CG-CD1 4.04Å; W28-I31 HydrophobicContact CE3-CB 4.32Å; W28-I31 HydrophobicContact CE3-CG2 4.04Å; W28-I31 HydrophobicContact CZ3-CG2 3.92Å; W28-I31 CarbonylContact O-C 3.44Å; W28-I31 PolarHBondContact O-N 3.36Å; I31-F34 HydrophobicContact CG2-CD1 4.49Å; I31-F34 CarbonylContact O-C 3.5Å; I31-F34 WeakPolarHBondContact O-CB 3.36Å; I31-F34 PolarHBondContact O-N 3.22Å; I31-L35 HydrophobicContact CG2-CD1 3.69Å; I31-L35 HydrophobicContact CG2-CG 4.2Å; I31-L35 VanDerWaalsContact O-CB 3.23Å; I31-L35 WeakPolarHBondContact O-CB 3.24Å; I31-L35 WeakPolarHBondContact O-CD1 3.34Å; I31-L35 WeakPolarHBondContact O-CG 3.45Å; I31-L35 PolarHBondContact O-N 2.61Å
32	D	32.4	Very low	32.9	Very low	56 Å²	56	88.7 Å²	88.7	30%	0.299	48%	0.483	S	S	.	.	H	α-helix	trans	-79.5	-35.1	-176.8	-169.9	50.7	0	0	0	111	W28 K36	W28-D32 HydrophobicContact CE3-CB 4.41Å; W28-D32 WeakPolarHBondContact O-CA 3.5Å; W28-D32 WeakPolarHBondContact O-CB 3.36Å; W28-D32 PolarHBondContact O-N 2.89Å; D32-K36 WeakPolarHBondContact O-CB 3.3Å; D32-K36 WeakPolarHBondContact O-CD 3.34Å; D32-K36 WeakPolarHBondContact O-CG 3.34Å; D32-K36 PolarHBondContact O-N 3.42Å; D32-K36 WeakPolarHBondContact OD1-CE 3.31Å; D32-K36 IonicContact OD1-NZ 2.73Å; D32-K36 VanDerWaalsContact OD2-CE 3.26Å; D32-K36 WeakPolarHBondContact OD2-CE 3.26Å; D32-K36 IonicContact OD2-NZ 3.67Å; D32-K36 PolarHBondContact OD2-NZ 2.96Å
33	S	35.7	Very low	33	Very low	58 Å²	58	89.2 Å²	89.2	41%	0.406	49%	0.494	S	S	.	.	H	α-helix	trans	-68	-37.2	168.2	-161.1	0	0	0	0	111.7	T29 K37	T29-S33 WeakPolarHBondContact O-CB 3.4Å; T29-S33 PolarHBondContact O-N 3.2Å; T29-S33 VanDerWaalsContact O-N 3.08Å; S33-K37 WeakPolarHBondContact O-CB 3.01Å; S33-K37 WeakPolarHBondContact O-CG 3.34Å; S33-K37 PolarHBondContact O-N 3.24Å
34	F	35.6	Very low	33.1	Very low	52 Å²	52	86.2 Å²	86.2	23%	0.228	50%	0.496	C	S	.	.	H	α-helix	trans	-66.9	-37.7	173.7	171.4	-109.2	0	0	0	112.7	D30 I31 M53 V55	D30-F34 WeakPolarHBondContact O-CB 3.37Å; D30-F34 PolarHBondContact O-N 2.68Å; I31-F34 HydrophobicContact CG2-CD1 4.49Å; I31-F34 CarbonylContact O-C 3.5Å; I31-F34 WeakPolarHBondContact O-CB 3.36Å; I31-F34 PolarHBondContact O-N 3.22Å; F34-M53 HydrophobicContact CD1-CE 2.99Å; F34-M53 HydrophobicContact CD1-SD 3.56Å; F34-M53 VanDerWaalsContact CD1-SD 3.56Å; F34-M53 HydrophobicContact CE1-CE 3.06Å; F34-M53 HydrophobicContact CE1-SD 3.36Å; F34-M53 WeakPolarHBondContact CE1-SD 3.32Å; F34-M53 HydrophobicContact CG-CE 3.78Å; F34-M53 HydrophobicContact CZ-CE 3.93Å; F34-M53 HydrophobicContact CZ-SD 4.49Å; F34-V55 HydrophobicContact CD2-CB 4.34Å; F34-V55 HydrophobicContact CD2-CG1 3.81Å; F34-V55 HydrophobicContact CE1-CB 4.28Å; F34-V55 HydrophobicContact CE1-CG2 4.29Å; F34-V55 HydrophobicContact CE2-CB 3.4Å; F34-V55 HydrophobicContact CE2-CG1 3.09Å; F34-V55 HydrophobicContact CE2-CG2 3.96Å; F34-V55 HydrophobicContact CZ-CB 3.35Å; F34-V55 HydrophobicContact CZ-CG1 3.66Å; F34-V55 HydrophobicContact CZ-CG2 3.8Å
35	L	32.7	Very low	33.1	Very low	71 Å²	71	92 Å²	92	37%	0.372	52%	0.518	S	S	.	.	H	α-helix	trans	-74.9	-38.8	173.9	-79.9	165	0	0	0	113.2	W28 I31 M53	W28-L35 HydrophobicContact CE3-CD1 4.48Å; W28-L35 HydrophobicContact CH2-CD1 4.26Å; W28-L35 HydrophobicContact CZ3-CD1 3.55Å; I31-L35 HydrophobicContact CG2-CD1 3.69Å; I31-L35 HydrophobicContact CG2-CG 4.2Å; I31-L35 VanDerWaalsContact O-CB 3.23Å; I31-L35 WeakPolarHBondContact O-CB 3.24Å; I31-L35 WeakPolarHBondContact O-CD1 3.34Å; I31-L35 WeakPolarHBondContact O-CG 3.45Å; I31-L35 PolarHBondContact O-N 2.61Å; L35-M53 HydrophobicContact CB-CE 4.43Å; L35-M53 HydrophobicContact CD1-SD 4.39Å; L35-M53 HydrophobicContact CD2-CE 3.49Å; L35-M53 VanDerWaalsContact CD2-CE 3.49Å; L35-M53 HydrophobicContact CD2-CG 3.78Å; L35-M53 HydrophobicContact CD2-SD 3.22Å; L35-M53 WeakPolarHBondContact CD2-SD 3.47Å; L35-M53 HydrophobicContact CG-CE 3.7Å; L35-M53 HydrophobicContact CG-SD 3.57Å; L35-M53 VanDerWaalsContact CG-SD 3.57Å
36	K	36	Very low	33.2	Very low	145 Å²	145	95.8 Å²	95.8	63%	0.63	54%	0.535	S	S	*	.	H	α-helix	trans	-74.7	-23.3	-176.5	-77.5	169.5	177.5	167.9	0	114	D32	D32-K36 WeakPolarHBondContact O-CB 3.3Å; D32-K36 WeakPolarHBondContact O-CD 3.34Å; D32-K36 WeakPolarHBondContact O-CG 3.34Å; D32-K36 PolarHBondContact O-N 3.42Å; D32-K36 WeakPolarHBondContact OD1-CE 3.31Å; D32-K36 IonicContact OD1-NZ 2.73Å; D32-K36 VanDerWaalsContact OD2-CE 3.26Å; D32-K36 WeakPolarHBondContact OD2-CE 3.26Å; D32-K36 IonicContact OD2-NZ 3.67Å; D32-K36 PolarHBondContact OD2-NZ 2.96Å
37	K	36.2	Very low	33	Very low	177 Å²	177	101.5 Å²	101.5	77%	0.77	56%	0.56	S	S	*	*	H	α-helix	trans	-91.6	-16	-179	-74.8	178.3	178.4	176.7	0	114.4	S33	S33-K37 WeakPolarHBondContact O-CB 3.01Å; S33-K37 WeakPolarHBondContact O-CG 3.34Å; S33-K37 PolarHBondContact O-N 3.24Å
38	A	34.9	Very low	32.8	Very low	67 Å²	67	108 Å²	108	55%	0.554	59%	0.591	S	S	*	*	S	Bend	trans	-94.7	4.3	-167.8	0	0	0	0	0	115.9
39	A	29.7	Very low	32.2	Very low	53 Å²	53	107.9 Å²	107.9	44%	0.438	60%	0.599	S	S	.	*	S	Bend	trans	-142	130.8	177.3	0	0	0	0	0	113.5	I46	A39-I46 HydrophobicContact CB-CD1 3.91Å
40	P	31	Very low	31.9	Very low	92 Å²	92	108.8 Å²	108.8	60%	0.597	61%	0.61	S	S	*	*			trans	-70	143	168.6	-1.9	16.7	0	0	0	110.2	S42	P40-S42 PolarHBondContact O-N 3.26Å
41	S	36.3	Very low	31.7	Very low	137 Å²	137	106.6 Å²	106.6	96%	0.958	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	6.2	-175.7	46.1	0	0	0	0	116
42	S	33.8	Very low	31.6	Very low	111 Å²	111	106.2 Å²	106.2	78%	0.776	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	5.2	-168.7	61.8	0	0	0	0	116.5	P40	P40-S42 PolarHBondContact O-N 3.26Å
43	C	31.8	Very low	31.8	Very low	79 Å²	79	105.9 Å²	105.9	53%	0.534	60%	0.598	S	S	.	*			trans	-98.3	123.5	-177.3	-160.2	0	0	0	0	113.4	F45	C43-F45 PolarHBondContact O-N 3.38Å
44	A	28	Very low	32.1	Very low	96 Å²	96	106 Å²	106	79%	0.793	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-66.9	-4.8	-177	0	0	0	0	0	115.1
45	F	28.6	Very low	32.6	Very low	158 Å²	158	104.9 Å²	104.9	69%	0.693	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-81.1	-15.8	-176.9	-158.1	-107.1	0	0	0	114	C43 K47 V51	C43-F45 PolarHBondContact O-N 3.38Å; F45-K47 VanDerWaalsContact C-N 3.29Å; F45-K47 PolarHBondContact O-N 3.37Å; F45-V51 HydrophobicContact CE1-CG2 4.03Å
46	I	29	Very low	33.4	Very low	112 Å²	112	104.7 Å²	104.7	57%	0.574	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-74.8	-12.9	-177.5	-69.1	174.6	0	0	0	113.4	A39	A39-I46 HydrophobicContact CB-CD1 3.91Å
47	K	28	Very low	34.9	Very low	195 Å²	195	100.8 Å²	100.8	85%	0.848	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-87.3	-4.8	-166.7	-88.8	-176.5	176.6	178	0	117	F45	F45-K47 VanDerWaalsContact C-N 3.29Å; F45-K47 PolarHBondContact O-N 3.37Å
48	Q	26.6	Very low	36.5	Very low	183 Å²	183	99.7 Å²	99.7	86%	0.855	59%	0.585	S	S	*	*	S	Bend	trans	-126.1	-22.6	-173.7	-81.2	-173.4	-9.5	0	0	117.7
49	M	23.7	Very low	38.5	Very low	164 Å²	164	102.6 Å²	102.6	81%	0.808	59%	0.585	S	S	*	*			trans	-167	128.1	167.9	-106.1	170.3	-153.6	0	0	108	V51	M49-V51 VanDerWaalsContact C-N 3.33Å; M49-V51 PolarHBondContact O-N 2.97Å
50	S	28.2	Very low	41	Very low	118 Å²	118	100.8 Å²	100.8	83%	0.825	57%	0.569	S	S	*	*			trans	-57.1	91.8	168.8	39.6	0	0	0	0	109.9
51	V	30.6	Very low	43.7	Very low	69 Å²	69	98.1 Å²	98.1	42%	0.418	55%	0.547	S	S	.	.			trans	-55.1	126.5	164.4	177.2	0	0	0	0	107.3	F45 M49 M53 L73	F45-V51 HydrophobicContact CE1-CG2 4.03Å; M49-V51 VanDerWaalsContact C-N 3.33Å; M49-V51 PolarHBondContact O-N 2.97Å; V51-M53 PolarHBondContact O-N 3.46Å; V51-L73 HydrophobicContact CG1-CD1 4.46Å
52	P	34.3	Very low	46.1	Very low	38 Å²	38	92.2 Å²	92.2	25%	0.247	51%	0.505	C	S	.	.			trans	-61.2	126.5	180	2.9	3.7	0	0	0	108.7	L54 V64 L73 T76	P52-L54 PolarHBondContact O-N 3.22Å; P52-L54 VanDerWaalsContact O-N 3.12Å; P52-V64 HydrophobicContact CB-CG1 4.17Å; P52-V64 HydrophobicContact CG-CG1 3.94Å; P52-L73 HydrophobicContact CG-CD1 4.08Å; P52-T76 HydrophobicContact CG-CG2 4.38Å
53	M	37.6	Very low	48.7	Very low	48 Å²	48	87 Å²	87	24%	0.236	47%	0.468	C	S	.	.			trans	-34.9	108.4	177.5	-62.3	-169.5	77.4	0	0	113.4	F34 L35 V51 V55 T62	F34-M53 HydrophobicContact CD1-CE 2.99Å; F34-M53 HydrophobicContact CD1-SD 3.56Å; F34-M53 VanDerWaalsContact CD1-SD 3.56Å; F34-M53 HydrophobicContact CE1-CE 3.06Å; F34-M53 HydrophobicContact CE1-SD 3.36Å; F34-M53 WeakPolarHBondContact CE1-SD 3.32Å; F34-M53 HydrophobicContact CG-CE 3.78Å; F34-M53 HydrophobicContact CZ-CE 3.93Å; F34-M53 HydrophobicContact CZ-SD 4.49Å; L35-M53 HydrophobicContact CB-CE 4.43Å; L35-M53 HydrophobicContact CD1-SD 4.39Å; L35-M53 HydrophobicContact CD2-CE 3.49Å; L35-M53 VanDerWaalsContact CD2-CE 3.49Å; L35-M53 HydrophobicContact CD2-CG 3.78Å; L35-M53 HydrophobicContact CD2-SD 3.22Å; L35-M53 WeakPolarHBondContact CD2-SD 3.47Å; L35-M53 HydrophobicContact CG-CE 3.7Å; L35-M53 HydrophobicContact CG-SD 3.57Å; L35-M53 VanDerWaalsContact CG-SD 3.57Å; V51-M53 PolarHBondContact O-N 3.46Å; M53-V55 HydrophobicContact CB-CG2 4.19Å; M53-V55 HydrophobicContact CE-CG2 3.76Å; M53-V55 PolarHBondContact O-N 3.42Å; M53-T62 VanDerWaalsContact O-CB 3.31Å; M53-T62 WeakPolarHBondContact O-CB 3.42Å; M53-T62 PolarHBondContact O-OG1 3.23Å
54	L	42	Very low	51.4	Low	60 Å²	60	83.3 Å²	83.3	31%	0.314	44%	0.444	S	S	.	.			trans	-83.9	88.1	162	-67.7	150.7	0	0	0	106.1	P52 T62 V64 D111 N113	P52-L54 PolarHBondContact O-N 3.22Å; P52-L54 VanDerWaalsContact O-N 3.12Å; L54-T62 WeakPolarHBondContact CA-OG1 3.43Å; L54-V64 HydrophobicContact CD1-CG2 4.43Å; L54-V64 HydrophobicContact CD2-CB 4.49Å; L54-V64 HydrophobicContact CD2-CG1 4.09Å; L54-V64 HydrophobicContact CD2-CG2 3.8Å; L54-V64 HydrophobicContact CG-CG1 4.39Å; L54-V64 HydrophobicContact CG-CG2 4.43Å; L54-D111 WeakPolarHBondContact CD1-OD2 3.45Å; L54-N113 HydrophobicContact CD2-CB 3.28Å
55	V	45.1	Very low	54.4	Low	30 Å²	30	78.8 Å²	78.8	18%	0.182	41%	0.406	C	S	.	.			trans	-133.8	122.6	175	-171.1	0	0	0	0	108.5	F34 M53 T62	F34-V55 HydrophobicContact CD2-CB 4.34Å; F34-V55 HydrophobicContact CD2-CG1 3.81Å; F34-V55 HydrophobicContact CE1-CB 4.28Å; F34-V55 HydrophobicContact CE1-CG2 4.29Å; F34-V55 HydrophobicContact CE2-CB 3.4Å; F34-V55 HydrophobicContact CE2-CG1 3.09Å; F34-V55 HydrophobicContact CE2-CG2 3.96Å; F34-V55 HydrophobicContact CZ-CB 3.35Å; F34-V55 HydrophobicContact CZ-CG1 3.66Å; F34-V55 HydrophobicContact CZ-CG2 3.8Å; M53-V55 HydrophobicContact CB-CG2 4.19Å; M53-V55 HydrophobicContact CE-CG2 3.76Å; M53-V55 PolarHBondContact O-N 3.42Å; V55-T62 PolarHBondContact N-OG1 3.33Å; V55-T62 VanDerWaalsContact N-OG1 3.13Å; V55-T62 PolarHBondContact O-OG1 3.43Å
56	S	51	Low	57.2	Low	67 Å²	67	71.3 Å²	71.3	47%	0.469	37%	0.374	S	S	.	.			trans	-103.5	100.6	164.3	158.9	0	0	0	0	106.1
57	D	65.7	Low	60	Low	63 Å²	63	67.5 Å²	67.5	34%	0.337	35%	0.354	S	S	.	.			trans	-92.2	-178.9	157.7	69.9	48.7	0	0	0	109.5	K59 S60 R61	D57-K59 PolarHBondContact O-N 3.15Å; D57-K59 WeakPolarHBondContact OD1-CA 3.37Å; D57-K59 PolarHBondContact OD1-N 3.01Å; D57-S60 PolarHBondContact OD1-N 3.5Å; D57-S60 PolarHBondContact OD1-OG 2.98Å; D57-S60 PolarHBondContact OD2-OG 2.92Å; D57-R61 PolarHBondContact O-NH1 2.83Å
58	D	70.2	Confident	62.7	Low	153 Å²	153	62.5 Å²	62.5	82%	0.818	34%	0.34	S	S	*	.	S	Bend	trans	-58.6	-26.5	-176	-57	-19.3	0	0	0	112.9
59	K	77.9	Confident	65.2	Low	129 Å²	129	58.9 Å²	58.9	56%	0.561	33%	0.331	S	S	*	.	S	Bend	trans	-117.6	-13.3	-175	-61.9	-169.2	178.6	-172	0	114.5	D57 V80 L81	D57-K59 PolarHBondContact O-N 3.15Å; D57-K59 WeakPolarHBondContact OD1-CA 3.37Å; D57-K59 PolarHBondContact OD1-N 3.01Å; K59-V80 CarbonylContact O-C 3.48Å; K59-V80 WeakPolarHBondContact O-CA 3.44Å; K59-L81 PolarHBondContact O-N 3.29Å
60	S	81.8	Confident	67.8	Low	14 Å²	14	53.2 Å²	53.2	10%	0.098	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	141.7	-179.1	70.4	0	0	0	0	111.8	D57 M79	D57-S60 PolarHBondContact OD1-N 3.5Å; D57-S60 PolarHBondContact OD1-OG 2.98Å; D57-S60 PolarHBondContact OD2-OG 2.92Å; S60-M79 WeakPolarHBondContact CA-O 3.48Å
61	R	86.7	Confident	70.2	Confident	36 Å²	36	52.1 Å²	52.1	14%	0.136	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.9	172.4	-59.4	-62.5	179.1	-87.5	-0.5	108.3	D57 G78 M79 L81 L152 K155 A156	D57-R61 PolarHBondContact O-NH1 2.83Å; R61-G78 CarbonylContact O-C 3.57Å; R61-G78 WeakPolarHBondContact O-CA 3.27Å; R61-M79 PolarHBondContact N-O 3.12Å; R61-M79 PolarHBondContact O-N 2.85Å; R61-L81 HydrophobicContact CG-CD1 3.86Å; R61-L152 HydrophobicContact CB-CD2 3.73Å; R61-L152 VanDerWaalsContact O-CD2 3.24Å; R61-L152 WeakPolarHBondContact O-CD2 3.17Å; R61-K155 HydrophobicContact CG-CB 4.19Å; R61-K155 PolarHBondContact NE-O 2.9Å; R61-A156 HydrophobicContact CG-CB 4.22Å
62	T	87.5	Confident	72.8	Confident	14 Å²	14	52 Å²	52	9%	0.086	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	149.8	172.3	63.2	0	0	0	0	110.3	M53 L54 V55 A77 N113	M53-T62 VanDerWaalsContact O-CB 3.31Å; M53-T62 WeakPolarHBondContact O-CB 3.42Å; M53-T62 PolarHBondContact O-OG1 3.23Å; L54-T62 WeakPolarHBondContact CA-OG1 3.43Å; V55-T62 PolarHBondContact N-OG1 3.33Å; V55-T62 VanDerWaalsContact N-OG1 3.13Å; V55-T62 PolarHBondContact O-OG1 3.43Å; T62-A77 WeakPolarHBondContact CA-O 3.4Å; T62-N113 PolarHBondContact O-OD1 2.76Å
63	V	88	Confident	75.3	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.4	175.1	172.6	0	0	0	0	107.9	T76 A77 N113 L115 M148 A151 L152 K155	V63-T76 WeakPolarHBondContact O-CA 3.25Å; V63-T76 PolarHBondContact O-OG1 3.07Å; V63-A77 PolarHBondContact N-O 2.89Å; V63-A77 PolarHBondContact O-N 3.3Å; V63-N113 VanDerWaalsContact CA-O 3.31Å; V63-N113 WeakPolarHBondContact CA-O 3.22Å; V63-L115 HydrophobicContact CG1-CD1 3.74Å; V63-L115 HydrophobicContact CG1-CG 3.82Å; V63-M148 HydrophobicContact CG1-CB 4.36Å; V63-M148 HydrophobicContact CG1-CG 4.17Å; V63-A151 HydrophobicContact CG1-CB 4.14Å; V63-A151 HydrophobicContact CG2-CB 3.78Å; V63-L152 HydrophobicContact CB-CD2 4.34Å; V63-L152 HydrophobicContact CB-CG 4.42Å; V63-L152 HydrophobicContact CG2-CD2 3.83Å; V63-L152 HydrophobicContact CG2-CG 4.02Å; V63-K155 HydrophobicContact CG2-CD 4.21Å
64	V	90.1	Very high	77.8	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	154.5	168.9	-55.7	0	0	0	0	109.5	P52 L54 L73 G75 N113 C114 L115	P52-V64 HydrophobicContact CB-CG1 4.17Å; P52-V64 HydrophobicContact CG-CG1 3.94Å; L54-V64 HydrophobicContact CD1-CG2 4.43Å; L54-V64 HydrophobicContact CD2-CB 4.49Å; L54-V64 HydrophobicContact CD2-CG1 4.09Å; L54-V64 HydrophobicContact CD2-CG2 3.8Å; L54-V64 HydrophobicContact CG-CG1 4.39Å; L54-V64 HydrophobicContact CG-CG2 4.43Å; V64-L73 HydrophobicContact CB-CD2 4.22Å; V64-L73 HydrophobicContact CG2-CD2 4.31Å; V64-G75 WeakPolarHBondContact CA-O 3.36Å; V64-N113 PolarHBondContact N-O 2.73Å; V64-C114 HydrophobicContact CG2-CB 4.08Å; V64-C114 WeakPolarHBondContact O-CA 3.33Å; V64-L115 PolarHBondContact O-N 2.96Å
65	A	89.3	Confident	80	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133	170.6	0	0	0	0	0	110	L73 Y74 G75 L115 L144 M148	A65-L73 CarbonylContact O-C 3.56Å; A65-L73 WeakPolarHBondContact O-CA 3.43Å; A65-Y74 PolarHBondContact O-N 3.01Å; A65-G75 PolarHBondContact N-O 3.19Å; A65-G75 PolarHBondContact O-N 3.41Å; A65-L115 CarbonylContact C-O 3.53Å; A65-L115 VanDerWaalsContact CA-O 3.24Å; A65-L115 WeakPolarHBondContact CA-O 3.46Å; A65-L115 HydrophobicContact CB-CB 4.27Å; A65-L144 HydrophobicContact CB-CD1 3.59Å; A65-L144 HydrophobicContact CB-CD2 3.92Å; A65-L144 HydrophobicContact CB-CG 4.13Å; A65-M148 HydrophobicContact CB-CG 4.43Å; A65-M148 HydrophobicContact CB-SD 4.19Å
66	A	89	Confident	82.1	Confident	2 Å²	2	50.2 Å²	50.2	2%	0.017	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	168.8	-176.8	0	0	0	0	0	111.9	K72 L73 L115 I117	A66-K72 CarbonylContact C-O 3.51Å; A66-K72 WeakPolarHBondContact CA-O 3.32Å; A66-K72 WeakPolarHBondContact CB-O 3.29Å; A66-L73 HydrophobicContact CB-CD2 4.13Å; A66-L115 PolarHBondContact N-O 3.27Å; A66-I117 PolarHBondContact O-N 3.06Å
67	D	86	Confident	83.9	Confident	32 Å²	32	47 Å²	47	17%	0.171	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	165.6	161.7	65.7	-29.3	0	0	0	111.4	T69 G70 S71 K72 Y74	D67-T69 PolarHBondContact O-N 3.17Å; D67-T69 PolarHBondContact OD2-OG1 2.95Å; D67-G70 PolarHBondContact O-N 2.63Å; D67-G70 WeakPolarHBondContact OD1-CA 3.4Å; D67-G70 PolarHBondContact OD1-N 2.58Å; D67-G70 VanDerWaalsContact OD1-N 3.14Å; D67-S71 PolarHBondContact OD1-N 3.45Å; D67-S71 PolarHBondContact OD2-OG 3.08Å; D67-K72 PolarHBondContact N-O 3.42Å; D67-K72 PolarHBondContact OD1-N 3.18Å; D67-Y74 HydrophobicContact CB-CE2 4.02Å
68	V	85.6	Confident	85	Confident	89 Å²	89	44.1 Å²	44.1	54%	0.539	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-26.2	177.9	-174.1	0	0	0	0	112.8
69	T	80.1	Confident	85.8	Confident	108 Å²	108	37 Å²	37	66%	0.663	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-9.4	178	76.2	0	0	0	0	113.9	D67 S71	D67-T69 PolarHBondContact O-N 3.17Å; D67-T69 PolarHBondContact OD2-OG1 2.95Å; T69-S71 PolarHBondContact O-N 3.42Å; T69-S71 WeakPolarHBondContact OG1-CB 3.2Å; T69-S71 PolarHBondContact OG1-N 3.2Å; T69-S71 PolarHBondContact OG1-OG 3.03Å
70	G	77.1	Confident	86.1	Confident	44 Å²	44	33.2 Å²	33.2	45%	0.454	20%	0.201	S	C	.	.	S	Bend	trans	68	6.4	-172.1	0	0	0	0	0	114.1	D67 K72	D67-G70 PolarHBondContact O-N 2.63Å; D67-G70 WeakPolarHBondContact OD1-CA 3.4Å; D67-G70 PolarHBondContact OD1-N 2.58Å; D67-G70 VanDerWaalsContact OD1-N 3.14Å; G70-K72 VanDerWaalsContact C-N 3.34Å
71	S	78.3	Confident	86.2	Confident	96 Å²	96	33.4 Å²	33.4	67%	0.671	20%	0.201	S	C	*	.	S	Bend	trans	-74.6	-26.7	-176.4	76	0	0	0	0	112.8	D67 T69	D67-S71 PolarHBondContact OD1-N 3.45Å; D67-S71 PolarHBondContact OD2-OG 3.08Å; T69-S71 PolarHBondContact O-N 3.42Å; T69-S71 WeakPolarHBondContact OG1-CB 3.2Å; T69-S71 PolarHBondContact OG1-N 3.2Å; T69-S71 PolarHBondContact OG1-OG 3.03Å
72	K	85	Confident	85.8	Confident	65 Å²	65	33.8 Å²	33.8	28%	0.283	21%	0.205	S	C	.	.	S	Bend	trans	-133.7	125	-176.9	-178.6	170.7	171.9	-175.8	0	111.6	A66 D67 G70 Y74	A66-K72 CarbonylContact C-O 3.51Å; A66-K72 WeakPolarHBondContact CA-O 3.32Å; A66-K72 WeakPolarHBondContact CB-O 3.29Å; D67-K72 PolarHBondContact N-O 3.42Å; D67-K72 PolarHBondContact OD1-N 3.18Å; G70-K72 VanDerWaalsContact C-N 3.34Å; K72-Y74 HydrophobicContact CB-CE2 4.1Å; K72-Y74 HydrophobicContact CD-CE1 4.11Å; K72-Y74 HydrophobicContact CD-CE2 3.95Å; K72-Y74 HydrophobicContact CG-CD2 4.29Å; K72-Y74 HydrophobicContact CG-CE2 3.83Å; K72-Y74 WeakPolarHBondContact O-CD2 3.44Å
73	L	87.8	Confident	85.4	Confident	64 Å²	64	34.9 Å²	34.9	34%	0.335	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	136.4	171.1	-63.5	169.3	0	0	0	110.6	V51 P52 V64 A65 A66	V51-L73 HydrophobicContact CG1-CD1 4.46Å; P52-L73 HydrophobicContact CG-CD1 4.08Å; V64-L73 HydrophobicContact CB-CD2 4.22Å; V64-L73 HydrophobicContact CG2-CD2 4.31Å; A65-L73 CarbonylContact O-C 3.56Å; A65-L73 WeakPolarHBondContact O-CA 3.43Å; A66-L73 HydrophobicContact CB-CD2 4.13Å
74	Y	89.7	Confident	85.2	Confident	39 Å²	39	41.1 Å²	41.1	15%	0.153	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	-12.2	179.4	-75.1	-80.7	0	0	0	113.1	A65 D67 K72 S94 D95 M98 I117 L144	A65-Y74 PolarHBondContact O-N 3.01Å; D67-Y74 HydrophobicContact CB-CE2 4.02Å; K72-Y74 HydrophobicContact CB-CE2 4.1Å; K72-Y74 HydrophobicContact CD-CE1 4.11Å; K72-Y74 HydrophobicContact CD-CE2 3.95Å; K72-Y74 HydrophobicContact CG-CD2 4.29Å; K72-Y74 HydrophobicContact CG-CE2 3.83Å; K72-Y74 WeakPolarHBondContact O-CD2 3.44Å; Y74-S94 CarbonylContact O-C 3.59Å; Y74-S94 VanDerWaalsContact O-CA 3.31Å; Y74-S94 WeakPolarHBondContact O-CA 3.44Å; Y74-D95 HydrophobicContact CD1-CB 4.32Å; Y74-D95 PolarHBondContact O-N 3.02Å; Y74-M98 HydrophobicContact CD1-CE 3.39Å; Y74-M98 HydrophobicContact CD1-CG 3.79Å; Y74-M98 HydrophobicContact CD1-SD 3.6Å; Y74-M98 VanDerWaalsContact CD1-SD 3.6Å; Y74-M98 HydrophobicContact CE1-CE 3.37Å; Y74-M98 HydrophobicContact CE1-SD 4.15Å; Y74-M98 HydrophobicContact CG-CE 4.38Å; Y74-M98 HydrophobicContact CG-CG 4.31Å; Y74-M98 HydrophobicContact CG-SD 4.08Å; Y74-I117 VanDerWaalsContact CB-CD1 3.46Å; Y74-I117 HydrophobicContact CD1-CD1 4.41Å; Y74-I117 HydrophobicContact CD2-CD1 3.66Å; Y74-I117 HydrophobicContact CE2-CD1 4.48Å; Y74-I117 HydrophobicContact CG-CD1 3.59Å; Y74-L144 WeakPolarHBondContact O-CD2 3.19Å
75	G	88.9	Confident	84.9	Confident	7 Å²	7	46.3 Å²	46.3	7%	0.072	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	160.2	176.4	0	0	0	0	0	113.4	V64 A65 E93	V64-G75 WeakPolarHBondContact CA-O 3.36Å; A65-G75 PolarHBondContact N-O 3.19Å; A65-G75 PolarHBondContact O-N 3.41Å; G75-E93 CarbonylContact C-O 3.47Å; G75-E93 WeakPolarHBondContact CA-O 3.5Å
76	T	89.6	Confident	84.8	Confident	29 Å²	29	46.7 Å²	46.7	18%	0.178	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	143.7	171.8	-172.2	0	0	0	0	110.7	P52 V63 F91 E93 M148	P52-T76 HydrophobicContact CG-CG2 4.38Å; V63-T76 WeakPolarHBondContact O-CA 3.25Å; V63-T76 PolarHBondContact O-OG1 3.07Å; T76-F91 HydrophobicContact CG2-CD2 4.17Å; T76-F91 HydrophobicContact CG2-CE2 3.88Å; T76-E93 PolarHBondContact N-O 3.17Å; T76-E93 PolarHBondContact O-N 3.01Å; T76-M148 PolarHBondContact N-SD 2.9Å; T76-M148 VanDerWaalsContact N-SD 3.37Å
77	A	88.8	Confident	84.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	149.9	174.5	0	0	0	0	0	110.3	T62 V63 F91 C92 M148 L152	T62-A77 WeakPolarHBondContact CA-O 3.4Å; V63-A77 PolarHBondContact N-O 2.89Å; V63-A77 PolarHBondContact O-N 3.3Å; A77-F91 VanDerWaalsContact CA-O 3.29Å; A77-F91 WeakPolarHBondContact CA-O 3.48Å; A77-C92 HydrophobicContact CB-CB 3.99Å; A77-M148 HydrophobicContact CB-CB 3.85Å; A77-M148 HydrophobicContact CB-SD 4.37Å; A77-L152 HydrophobicContact CB-CD1 3.45Å; A77-L152 VanDerWaalsContact CB-CD1 3.45Å; A77-L152 HydrophobicContact CB-CG 4.35Å
78	G	88.2	Confident	84.8	Confident	3 Å²	3	45.4 Å²	45.4	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	138.4	-179.6	0	0	0	0	0	111.5	R61 C90 F91	R61-G78 CarbonylContact O-C 3.57Å; R61-G78 WeakPolarHBondContact O-CA 3.27Å; G78-C90 WeakPolarHBondContact O-CB 3.27Å; G78-C90 PolarHBondContact O-N 2.72Å; G78-F91 PolarHBondContact N-O 3.49Å; G78-F91 PolarHBondContact O-N 2.85Å
79	M	87.4	Confident	85.1	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.015	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	143.8	-179.3	-174.9	171.9	70.1	0	0	110.5	S60 R61 Y88 L89 L152 I153 A156 F157 V168	S60-M79 WeakPolarHBondContact CA-O 3.48Å; R61-M79 PolarHBondContact N-O 3.12Å; R61-M79 PolarHBondContact O-N 2.85Å; M79-Y88 CarbonylContact C-O 3.51Å; M79-Y88 WeakPolarHBondContact CA-O 3.29Å; M79-Y88 VanDerWaalsContact CG-O 3.31Å; M79-Y88 WeakPolarHBondContact CG-O 3.39Å; M79-L89 HydrophobicContact CB-CD1 4.37Å; M79-L152 HydrophobicContact CB-CB 4.49Å; M79-L152 HydrophobicContact CB-CD1 4.15Å; M79-L152 HydrophobicContact CB-CD2 4.33Å; M79-L152 HydrophobicContact CE-CB 4.18Å; M79-L152 WeakPolarHBondContact CE-O 3.44Å; M79-I153 HydrophobicContact CE-CD1 3.99Å; M79-I153 HydrophobicContact SD-CD1 3.85Å; M79-A156 HydrophobicContact CE-CB 3.11Å; M79-F157 HydrophobicContact CE-CE2 4.16Å; M79-V168 HydrophobicContact SD-CG1 4.1Å; M79-V168 HydrophobicContact SD-CG2 3.74Å
80	V	84.1	Confident	85.4	Confident	49 Å²	49	36.5 Å²	36.5	30%	0.297	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.8	171.3	174.7	0	0	0	0	108.8	K59 I82 G87 Y88	K59-V80 CarbonylContact O-C 3.48Å; K59-V80 WeakPolarHBondContact O-CA 3.44Å; V80-I82 HydrophobicContact CG1-CD1 4.37Å; V80-G87 CarbonylContact O-C 3.6Å; V80-G87 WeakPolarHBondContact O-CA 3.29Å; V80-Y88 PolarHBondContact N-O 3.18Å; V80-Y88 PolarHBondContact O-N 2.87Å
81	L	83.2	Confident	85.9	Confident	19 Å²	19	37.7 Å²	37.7	10%	0.099	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130	167.5	-74.5	83.7	0	0	0	109.3	K59 R61 A156 F157	K59-L81 PolarHBondContact O-N 3.29Å; R61-L81 HydrophobicContact CG-CD1 3.86Å; L81-A156 HydrophobicContact CD1-CB 3.61Å; L81-A156 HydrophobicContact CD2-CB 4.11Å; L81-A156 WeakPolarHBondContact CD2-O 3.4Å; L81-A156 HydrophobicContact CG-CB 3.95Å; L81-F157 HydrophobicContact CD2-CE1 4.44Å
82	I	78.6	Confident	86.5	Confident	43 Å²	43	33.1 Å²	33.1	22%	0.221	17%	0.17	C	C	.	.	S	Bend	trans	-89.1	-47.3	171.3	-55.8	-49.8	0	0	0	109.6	V80 A86 I345	V80-I82 HydrophobicContact CG1-CD1 4.37Å; I82-A86 HydrophobicContact CB-CB 4.31Å; I82-A86 PolarHBondContact N-O 3.13Å; I82-I345 HydrophobicContact CD1-CD1 4.09Å; I82-I345 HydrophobicContact CD1-CG1 4.37Å; I82-I345 HydrophobicContact CG1-CD1 3.41Å; I82-I345 VanDerWaalsContact CG1-CD1 3.41Å; I82-I345 HydrophobicContact CG1-CG1 3.66Å
83	N	79.1	Confident	86.7	Confident	37 Å²	37	33 Å²	33	20%	0.198	17%	0.17	C	C	.	.	S	Bend	trans	-151.2	-176	176.2	63.6	52.4	0	0	0	108.7	Q85 A86 E238	N83-Q85 PolarHBondContact O-N 3.12Å; N83-Q85 VanDerWaalsContact O-N 3.14Å; N83-Q85 VanDerWaalsContact OD1-CA 3.28Å; N83-Q85 WeakPolarHBondContact OD1-CA 3.41Å; N83-Q85 WeakPolarHBondContact OD1-CB 3.4Å; N83-Q85 PolarHBondContact OD1-N 2.81Å; N83-A86 PolarHBondContact N-O 3.11Å; N83-A86 PolarHBondContact O-N 3.42Å; N83-A86 PolarHBondContact OD1-N 2.85Å; N83-E238 PolarHBondContact ND2-OE1 3.21Å; N83-E238 PolarHBondContact ND2-OE2 2.7Å
84	D	82.8	Confident	86.7	Confident	131 Å²	131	31.1 Å²	31.1	70%	0.701	16%	0.162	S	C	*	.	S	Bend	trans	-59.9	-28	-178.2	-63	-15.9	0	0	0	112.6	F157 R166	D84-F157 WeakPolarHBondContact O-CD1 3.27Å; D84-F157 WeakPolarHBondContact O-CE1 2.96Å; D84-R166 WeakPolarHBondContact O-CD 3.44Å; D84-R166 PolarHBondContact O-NE 3.12Å; D84-R166 PolarHBondContact O-NH1 3.23Å
85	Q	85.1	Confident	86.7	Confident	113 Å²	113	32 Å²	32	53%	0.528	17%	0.17	S	C	.	.	S	Bend	trans	-101.7	-18.9	-175.4	-66.6	177.4	2.9	0	0	114.4	N83 R166 N167	N83-Q85 PolarHBondContact O-N 3.12Å; N83-Q85 VanDerWaalsContact O-N 3.14Å; N83-Q85 VanDerWaalsContact OD1-CA 3.28Å; N83-Q85 WeakPolarHBondContact OD1-CA 3.41Å; N83-Q85 WeakPolarHBondContact OD1-CB 3.4Å; N83-Q85 PolarHBondContact OD1-N 2.81Å; Q85-R166 CarbonylContact O-C 3.58Å; Q85-R166 VanDerWaalsContact O-CA 3.28Å; Q85-R166 WeakPolarHBondContact O-CA 3.38Å; Q85-N167 PolarHBondContact O-N 2.63Å
86	A	86.3	Confident	86.6	Confident	7 Å²	7	41.1 Å²	41.1	6%	0.058	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.3	-171	0	0	0	0	0	112.5	I82 N83 N167	I82-A86 HydrophobicContact CB-CB 4.31Å; I82-A86 PolarHBondContact N-O 3.13Å; N83-A86 PolarHBondContact N-O 3.11Å; N83-A86 PolarHBondContact O-N 3.42Å; N83-A86 PolarHBondContact OD1-N 2.85Å; A86-N167 CarbonylContact C-O 3.55Å; A86-N167 VanDerWaalsContact CA-O 3.31Å; A86-N167 WeakPolarHBondContact CA-O 3.42Å
87	G	86.9	Confident	86.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	155.9	173.2	0	0	0	0	0	112.6	V80 N167 V168 T169	V80-G87 CarbonylContact O-C 3.6Å; V80-G87 WeakPolarHBondContact O-CA 3.29Å; G87-N167 PolarHBondContact N-O 2.81Å; G87-V168 CarbonylContact O-C 3.58Å; G87-V168 VanDerWaalsContact O-CA 3.27Å; G87-V168 WeakPolarHBondContact O-CA 3.41Å; G87-T169 PolarHBondContact O-N 2.8Å
88	Y	89.4	Confident	86.7	Confident	7 Å²	7	44.7 Å²	44.7	3%	0.027	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.5	170.7	-175.9	-112.4	0	0	0	109.7	M79 V80 C90 T169 D171 I341 I345	M79-Y88 CarbonylContact C-O 3.51Å; M79-Y88 WeakPolarHBondContact CA-O 3.29Å; M79-Y88 VanDerWaalsContact CG-O 3.31Å; M79-Y88 WeakPolarHBondContact CG-O 3.39Å; V80-Y88 PolarHBondContact N-O 3.18Å; V80-Y88 PolarHBondContact O-N 2.87Å; Y88-C90 PolarHBondContact O-N 2.91Å; Y88-T169 HydrophobicContact CD2-CG2 4.32Å; Y88-T169 VanDerWaalsContact CD2-O 3.28Å; Y88-T169 WeakPolarHBondContact CD2-O 3.33Å; Y88-T169 HydrophobicContact CE2-CG2 4.47Å; Y88-D171 PolarHBondContact OH-N 3.45Å; Y88-I341 HydrophobicContact CE1-CG2 3.91Å; Y88-I341 HydrophobicContact CE2-CG2 4.38Å; Y88-I341 VanDerWaalsContact CZ-CG2 3.49Å; Y88-I341 WeakPolarHBondContact OH-CG2 3.33Å; Y88-I345 HydrophobicContact CD2-CD1 4.26Å; Y88-I345 HydrophobicContact CG-CD1 4.38Å
89	L	91.5	Very high	86.6	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	119	171.2	-175	65.7	0	0	0	107.6	M79 C92 F149 L152 V168 T169 Y170 F182 F188	M79-L89 HydrophobicContact CB-CD1 4.37Å; L89-C92 HydrophobicContact CD1-CB 4.34Å; L89-C92 HydrophobicContact CD2-CB 4.08Å; L89-C92 HydrophobicContact CG-CB 4.5Å; L89-F149 HydrophobicContact CD1-CD2 4.3Å; L89-F149 HydrophobicContact CD2-CD2 4.14Å; L89-F149 HydrophobicContact CD2-CE2 4.23Å; L89-L152 HydrophobicContact CD1-CD1 3.76Å; L89-V168 HydrophobicContact CB-CG1 3.84Å; L89-T169 PolarHBondContact N-O 3Å; L89-Y170 HydrophobicContact CB-CD2 3.84Å; L89-Y170 HydrophobicContact CB-CG 4.46Å; L89-Y170 HydrophobicContact CD2-CD2 3.96Å; L89-Y170 HydrophobicContact CD2-CE2 4.4Å; L89-Y170 HydrophobicContact CD2-CG 4.27Å; L89-Y170 HydrophobicContact CG-CD2 3.9Å; L89-Y170 HydrophobicContact CG-CE2 4.31Å; L89-Y170 WeakPolarHBondContact O-CD2 3.18Å; L89-F182 HydrophobicContact CD2-CE1 3.77Å; L89-F188 HydrophobicContact CB-CZ 4.3Å; L89-F188 HydrophobicContact CD2-CE2 4Å; L89-F188 HydrophobicContact CD2-CZ 3.71Å
90	C	86.7	Confident	86.6	Confident	10 Å²	10	50.7 Å²	50.7	7%	0.068	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-42.6	-178.4	-61.8	0	0	0	0	111.3	F26 G78 Y88	F26-C90 HydrophobicContact CE2-CB 4.26Å; F26-C90 HydrophobicContact CZ-CB 3.66Å; F26-C90 VanDerWaalsContact CZ-SG 3.58Å; G78-C90 WeakPolarHBondContact O-CB 3.27Å; G78-C90 PolarHBondContact O-N 2.72Å; Y88-C90 PolarHBondContact O-N 2.91Å
91	F	87.6	Confident	86.9	Confident	69 Å²	69	51.8 Å²	51.8	30%	0.303	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	154.1	177.7	57.6	-89.2	0	0	0	109.6	T76 A77 G78	T76-F91 HydrophobicContact CG2-CD2 4.17Å; T76-F91 HydrophobicContact CG2-CE2 3.88Å; A77-F91 VanDerWaalsContact CA-O 3.29Å; A77-F91 WeakPolarHBondContact CA-O 3.48Å; G78-F91 PolarHBondContact N-O 3.49Å; G78-F91 PolarHBondContact O-N 2.85Å
92	C	90.1	Very high	87.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	104.5	169.6	-176.2	0	0	0	0	107.2	A77 L89 R178 F182	A77-C92 HydrophobicContact CB-CB 3.99Å; L89-C92 HydrophobicContact CD1-CB 4.34Å; L89-C92 HydrophobicContact CD2-CB 4.08Å; L89-C92 HydrophobicContact CG-CB 4.5Å; C92-R178 VanDerWaalsContact O-CZ 3.24Å; C92-R178 PolarHBondContact O-NH1 3.46Å; C92-R178 PolarHBondContact O-NH2 2.9Å; C92-F182 HydrophobicContact CB-CZ 4.36Å
93	E	89.1	Confident	88.1	Confident	63 Å²	63	50.2 Å²	50.2	29%	0.294	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136.2	-170.1	-61.6	-168.2	174.9	0	0	110.8	H22 G75 T76 M148	H22-E93 IonicContact CD2-OE1 3.3Å; H22-E93 PolarHBondContact CD2-OE1 3.48Å; H22-E93 VanDerWaalsContact CD2-OE1 3.3Å; G75-E93 CarbonylContact C-O 3.47Å; G75-E93 WeakPolarHBondContact CA-O 3.5Å; T76-E93 PolarHBondContact N-O 3.17Å; T76-E93 PolarHBondContact O-N 3.01Å; E93-M148 WeakPolarHBondContact O-CE 3.44Å
94	S	88.4	Confident	88.9	Confident	24 Å²	24	51.6 Å²	51.6	17%	0.168	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	155	171.9	69.3	0	0	0	0	111	Y74 E145	Y74-S94 CarbonylContact O-C 3.59Å; Y74-S94 VanDerWaalsContact O-CA 3.31Å; Y74-S94 WeakPolarHBondContact O-CA 3.44Å; S94-E145 PolarHBondContact OG-OE1 3.2Å; S94-E145 PolarHBondContact OG-OE2 2.82Å
95	D	88.5	Confident	89.5	Confident	58 Å²	58	46.7 Å²	46.7	31%	0.31	24%	0.24	S	C	.	.			trans	-57.7	141.8	167.3	-171.5	-70.5	0	0	0	109.8	Y74 Q97 M98	Y74-D95 HydrophobicContact CD1-CB 4.32Å; Y74-D95 PolarHBondContact O-N 3.02Å; D95-Q97 PolarHBondContact O-N 3.04Å; D95-Q97 VanDerWaalsContact O-N 3.1Å; D95-Q97 WeakPolarHBondContact OD1-CB 3.43Å; D95-Q97 WeakPolarHBondContact OD1-CG 3.36Å; D95-Q97 PolarHBondContact OD1-N 3.26Å; D95-M98 WeakPolarHBondContact O-CB 3.39Å; D95-M98 PolarHBondContact O-N 2.92Å
96	R	87.8	Confident	89.9	Confident	199 Å²	199	43.1 Å²	43.1	75%	0.751	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-58.4	-25.3	-179.8	-68.1	-177.7	-179.9	176.5	-0.3	112.8	M98 S99	R96-M98 PolarHBondContact O-N 3.13Å; R96-S99 VanDerWaalsContact O-CB 3.27Å; R96-S99 WeakPolarHBondContact O-CB 3.41Å; R96-S99 PolarHBondContact O-N 2.97Å; R96-S99 VanDerWaalsContact O-N 3.12Å; R96-S99 PolarHBondContact O-OG 3.11Å
97	Q	89.6	Confident	90.1	Very high	98 Å²	98	46.8 Å²	46.8	46%	0.458	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-66.3	-20	175.5	-64.9	179.8	12.5	0	0	113.2	D95 Y101	D95-Q97 PolarHBondContact O-N 3.04Å; D95-Q97 VanDerWaalsContact O-N 3.1Å; D95-Q97 WeakPolarHBondContact OD1-CB 3.43Å; D95-Q97 WeakPolarHBondContact OD1-CG 3.36Å; D95-Q97 PolarHBondContact OD1-N 3.26Å; Q97-Y101 WeakPolarHBondContact O-CD2 3.28Å; Q97-Y101 WeakPolarHBondContact O-CE2 3.45Å
98	M	89.8	Confident	90.1	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.03	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-87.6	-12.5	174.8	-57.4	-64.3	95.1	0	0	112.1	Y74 D95 R96 G100 Y101 V103 I117 L144	Y74-M98 HydrophobicContact CD1-CE 3.39Å; Y74-M98 HydrophobicContact CD1-CG 3.79Å; Y74-M98 HydrophobicContact CD1-SD 3.6Å; Y74-M98 VanDerWaalsContact CD1-SD 3.6Å; Y74-M98 HydrophobicContact CE1-CE 3.37Å; Y74-M98 HydrophobicContact CE1-SD 4.15Å; Y74-M98 HydrophobicContact CG-CE 4.38Å; Y74-M98 HydrophobicContact CG-CG 4.31Å; Y74-M98 HydrophobicContact CG-SD 4.08Å; D95-M98 WeakPolarHBondContact O-CB 3.39Å; D95-M98 PolarHBondContact O-N 2.92Å; R96-M98 PolarHBondContact O-N 3.13Å; M98-G100 PolarHBondContact O-N 2.93Å; M98-Y101 PolarHBondContact O-N 3.13Å; M98-Y101 VanDerWaalsContact O-N 3.11Å; M98-V103 HydrophobicContact SD-CG1 4.36Å; M98-I117 HydrophobicContact SD-CD1 3.86Å; M98-L144 HydrophobicContact CB-CD2 4.41Å; M98-L144 HydrophobicContact CG-CD2 3.87Å
99	S	86.6	Confident	89.8	Confident	77 Å²	77	55.8 Å²	55.8	54%	0.538	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	123.8	178.4	-58.7	0	0	0	0	110.9	R96	R96-S99 VanDerWaalsContact O-CB 3.27Å; R96-S99 WeakPolarHBondContact O-CB 3.41Å; R96-S99 PolarHBondContact O-N 2.97Å; R96-S99 VanDerWaalsContact O-N 3.12Å; R96-S99 PolarHBondContact O-OG 3.11Å
100	G	86.8	Confident	89.4	Confident	54 Å²	54	63.2 Å²	63.2	56%	0.557	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	8.6	-179	0	0	0	0	0	114.9	M98 A123	M98-G100 PolarHBondContact O-N 2.93Å; G100-A123 VanDerWaalsContact O-CB 3.32Å; G100-A123 WeakPolarHBondContact O-CB 3.25Å; G100-A123 PolarHBondContact O-N 3.05Å
101	Y	92.1	Very high	89.2	Confident	73 Å²	73	64.8 Å²	64.8	29%	0.286	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.8	171.4	-67.3	-91.2	0	0	0	110.8	Q97 M98 R120 T121 L122	Q97-Y101 WeakPolarHBondContact O-CD2 3.28Å; Q97-Y101 WeakPolarHBondContact O-CE2 3.45Å; M98-Y101 PolarHBondContact O-N 3.13Å; M98-Y101 VanDerWaalsContact O-N 3.11Å; Y101-R120 HydrophobicContact CD1-CB 4.31Å; Y101-R120 HydrophobicContact CD1-CG 4.4Å; Y101-T121 CarbonylContact C-O 3.26Å; Y101-T121 WeakPolarHBondContact CA-O 3.31Å; Y101-T121 WeakPolarHBondContact CB-O 3.43Å; Y101-T121 VanDerWaalsContact CD1-O 3.31Å; Y101-T121 WeakPolarHBondContact CD1-O 3.47Å; Y101-L122 HydrophobicContact CE1-CG 4.15Å
102	D	92.7	Very high	89.1	Confident	28 Å²	28	67.4 Å²	67.4	15%	0.15	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	146.9	157.7	-67.1	-36.3	0	0	0	108.2	R120 T121 A123 E141 R142 C143	D102-R120 CarbonylContact O-C 3.57Å; D102-R120 WeakPolarHBondContact O-CA 3.45Å; D102-T121 PolarHBondContact N-O 2.82Å; D102-T121 PolarHBondContact O-N 2.77Å; D102-T121 PolarHBondContact O-OG1 2.84Å; D102-A123 WeakPolarHBondContact OD2-CA 3.41Å; D102-E141 HydrophobicContact CB-CG 3.67Å; D102-R142 WeakPolarHBondContact CA-O 3.27Å; D102-R142 VanDerWaalsContact OD1-C 3.29Å; D102-R142 WeakPolarHBondContact OD1-CA 3.31Å; D102-C143 PolarHBondContact OD1-N 3.41Å
103	V	94.2	Very high	88.9	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.006	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	150.5	-177.7	-61.8	0	0	0	0	110	M98 V105 I117 S119 R120 R142 L144 H147	M98-V103 HydrophobicContact SD-CG1 4.36Å; V103-V105 HydrophobicContact CG2-CG1 3.99Å; V103-I117 HydrophobicContact CB-CG2 4.37Å; V103-I117 HydrophobicContact CG1-CG2 4.29Å; V103-S119 VanDerWaalsContact CA-O 3.3Å; V103-S119 WeakPolarHBondContact CA-O 3.17Å; V103-S119 WeakPolarHBondContact CB-O 3.29Å; V103-R120 HydrophobicContact CG1-CB 4.06Å; V103-R142 WeakPolarHBondContact CG2-O 3.34Å; V103-R142 PolarHBondContact N-O 2.94Å; V103-R142 PolarHBondContact O-N 3.44Å; V103-L144 HydrophobicContact CG2-CB 4.04Å; V103-L144 HydrophobicContact CG2-CD1 3.98Å; V103-H147 PolarHBondContact O-NE2 3.4Å
104	I	95.1	Very high	88.9	Confident	65 Å²	65	65.9 Å²	65.9	33%	0.333	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.5	164.3	-57.9	178.7	0	0	0	106.5	C118 S119 E141	I104-C118 PolarHBondContact O-N 2.87Å; I104-S119 WeakPolarHBondContact CB-OG 3.27Å; I104-S119 WeakPolarHBondContact CG1-OG 3.34Å; I104-S119 PolarHBondContact N-O 2.78Å; I104-S119 VanDerWaalsContact N-O 3.12Å; I104-S119 PolarHBondContact O-N 3.37Å; I104-E141 HydrophobicContact CG1-CB 4.13Å
105	V	95.1	Very high	89	Confident	29 Å²	29	65.1 Å²	65.1	18%	0.176	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	151	178.7	-56	0	0	0	0	111.4	V103 L115 E116 I117 L144 H147	V103-V105 HydrophobicContact CG2-CG1 3.99Å; V105-L115 HydrophobicContact CB-CB 4.28Å; V105-L115 HydrophobicContact CG2-CD1 4.37Å; V105-L115 HydrophobicContact CG2-CD2 4.43Å; V105-E116 CarbonylContact C-O 3.47Å; V105-E116 WeakPolarHBondContact CA-O 3.4Å; V105-I117 HydrophobicContact CG1-CG1 4.37Å; V105-L144 HydrophobicContact CG1-CD1 4.12Å; V105-H147 HydrophobicContact CG1-CB 4.46Å; V105-H147 HydrophobicContact CG2-CB 3.92Å
106	A	94.2	Very high	89.3	Confident	38 Å²	38	64.1 Å²	64.1	31%	0.314	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	154.1	164.6	0	0	0	0	0	109.4	L115 E116 C118	A106-L115 CarbonylContact O-C 3.47Å; A106-L115 WeakPolarHBondContact O-CA 3.24Å; A106-E116 PolarHBondContact N-O 2.97Å; A106-E116 PolarHBondContact O-N 3.28Å; A106-C118 VanDerWaalsContact CB-SG 3.53Å; A106-C118 PolarHBondContact N-SG 2.83Å
107	V	90.9	Very high	89.6	Confident	84 Å²	84	55.7 Å²	55.7	51%	0.509	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	132.6	169	-179.3	0	0	0	0	107.5	D109 E112 L115	V107-D109 PolarHBondContact O-N 3.34Å; V107-E112 HydrophobicContact CG1-CB 4.41Å; V107-L115 HydrophobicContact CG2-CD2 4.05Å
108	N	86.3	Confident	89.8	Confident	28 Å²	28	54.5 Å²	54.5	15%	0.15	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	131	177.2	-177	-68.6	0	0	0	110.2	N110 D111 C114 E116	N108-N110 PolarHBondContact O-N 3.4Å; N108-N110 WeakPolarHBondContact OD1-CA 3.35Å; N108-N110 VanDerWaalsContact OD1-CB 3.31Å; N108-N110 WeakPolarHBondContact OD1-CB 3.49Å; N108-N110 PolarHBondContact OD1-N 2.89Å; N108-D111 CarbonylContact O-C 3.59Å; N108-D111 PolarHBondContact O-N 2.84Å; N108-D111 PolarHBondContact OD1-N 2.9Å; N108-C114 HydrophobicContact CB-CB 3.82Å; N108-C114 WeakPolarHBondContact CB-O 3.46Å; N108-C114 PolarHBondContact N-O 3.3Å; N108-E116 HydrophobicContact CB-CG 4.03Å; N108-E116 VanDerWaalsContact CG-OE1 3.31Å; N108-E116 PolarHBondContact ND2-OE1 3.2Å
109	D	83.1	Confident	90	Very high	167 Å²	167	56.4 Å²	56.4	89%	0.893	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.1	-177	-70.5	-28.8	0	0	0	113.8	V107	V107-D109 PolarHBondContact O-N 3.34Å
110	N	82.8	Confident	90.3	Very high	156 Å²	156	59.5 Å²	59.5	83%	0.834	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-18.6	-180	-55	-65.7	0	0	0	113.3	N108	N108-N110 PolarHBondContact O-N 3.4Å; N108-N110 WeakPolarHBondContact OD1-CA 3.35Å; N108-N110 VanDerWaalsContact OD1-CB 3.31Å; N108-N110 WeakPolarHBondContact OD1-CB 3.49Å; N108-N110 PolarHBondContact OD1-N 2.89Å
111	D	83.3	Confident	90.5	Very high	44 Å²	44	59.2 Å²	59.2	24%	0.235	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	105	-178.7	-173	-7.5	0	0	0	111.4	L54 N108 N113 C114	L54-D111 WeakPolarHBondContact CD1-OD2 3.45Å; N108-D111 CarbonylContact O-C 3.59Å; N108-D111 PolarHBondContact O-N 2.84Å; N108-D111 PolarHBondContact OD1-N 2.9Å; D111-N113 PolarHBondContact O-N 3.1Å; D111-N113 WeakPolarHBondContact OD1-CB 3.28Å; D111-N113 PolarHBondContact OD1-N 2.99Å; D111-N113 PolarHBondContact OD1-ND2 2.79Å; D111-C114 HydrophobicContact CB-CB 4.05Å; D111-C114 WeakPolarHBondContact O-CB 3.45Å; D111-C114 PolarHBondContact O-N 3.05Å
112	E	85.3	Confident	90.3	Very high	123 Å²	123	62.2 Å²	62.2	58%	0.575	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	-14	178.8	56.9	157.2	-126.5	0	0	114.4	V107 K155	V107-E112 HydrophobicContact CG1-CB 4.41Å; E112-K155 VanDerWaalsContact CD-NZ 3.28Å; E112-K155 WeakPolarHBondContact O-CE 2.93Å; E112-K155 PolarHBondContact O-NZ 2.87Å; E112-K155 IonicContact OE1-NZ 2.67Å; E112-K155 PolarHBondContact OE1-NZ 3.43Å
113	N	85.3	Confident	89.8	Confident	17 Å²	17	62.5 Å²	62.5	9%	0.091	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-1.3	175.8	-57.4	-57.3	0	0	0	112.4	L54 T62 V63 V64 D111 K155	L54-N113 HydrophobicContact CD2-CB 3.28Å; T62-N113 PolarHBondContact O-OD1 2.76Å; V63-N113 VanDerWaalsContact CA-O 3.31Å; V63-N113 WeakPolarHBondContact CA-O 3.22Å; V64-N113 PolarHBondContact N-O 2.73Å; D111-N113 PolarHBondContact O-N 3.1Å; D111-N113 WeakPolarHBondContact OD1-CB 3.28Å; D111-N113 PolarHBondContact OD1-N 2.99Å; D111-N113 PolarHBondContact OD1-ND2 2.79Å; N113-K155 WeakPolarHBondContact OD1-CE 3.25Å; N113-K155 PolarHBondContact OD1-NZ 3.3Å
114	C	89.2	Confident	88.7	Confident	14 Å²	14	70.6 Å²	70.6	10%	0.095	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.5	176.9	-173.4	0	0	0	0	110.7	V64 N108 D111	V64-C114 HydrophobicContact CG2-CB 4.08Å; V64-C114 WeakPolarHBondContact O-CA 3.33Å; N108-C114 HydrophobicContact CB-CB 3.82Å; N108-C114 WeakPolarHBondContact CB-O 3.46Å; N108-C114 PolarHBondContact N-O 3.3Å; D111-C114 HydrophobicContact CB-CB 4.05Å; D111-C114 WeakPolarHBondContact O-CB 3.45Å; D111-C114 PolarHBondContact O-N 3.05Å
115	L	91.5	Very high	86.8	Confident	8 Å²	8	73.3 Å²	73.3	4%	0.042	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.4	171.4	-59.4	179	0	0	0	109.5	V63 V64 A65 A66 V105 A106 V107 H147 M148 A151	V63-L115 HydrophobicContact CG1-CD1 3.74Å; V63-L115 HydrophobicContact CG1-CG 3.82Å; V64-L115 PolarHBondContact O-N 2.96Å; A65-L115 CarbonylContact C-O 3.53Å; A65-L115 VanDerWaalsContact CA-O 3.24Å; A65-L115 WeakPolarHBondContact CA-O 3.46Å; A65-L115 HydrophobicContact CB-CB 4.27Å; A66-L115 PolarHBondContact N-O 3.27Å; V105-L115 HydrophobicContact CB-CB 4.28Å; V105-L115 HydrophobicContact CG2-CD1 4.37Å; V105-L115 HydrophobicContact CG2-CD2 4.43Å; A106-L115 CarbonylContact O-C 3.47Å; A106-L115 WeakPolarHBondContact O-CA 3.24Å; V107-L115 HydrophobicContact CG2-CD2 4.05Å; L115-H147 HydrophobicContact CD1-CB 4.2Å; L115-M148 HydrophobicContact CD1-CG 4.13Å; L115-A151 HydrophobicContact CD1-CB 4.21Å; L115-A151 HydrophobicContact CD2-CB 4.45Å
116	E	94	Very high	84.9	Confident	38 Å²	38	75.2 Å²	75.2	18%	0.178	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.3	174.1	-64.8	-177.3	177.8	0	0	110.5	V105 A106 N108 C118	V105-E116 CarbonylContact C-O 3.47Å; V105-E116 WeakPolarHBondContact CA-O 3.4Å; A106-E116 PolarHBondContact N-O 2.97Å; A106-E116 PolarHBondContact O-N 3.28Å; N108-E116 HydrophobicContact CB-CG 4.03Å; N108-E116 VanDerWaalsContact CG-OE1 3.31Å; N108-E116 PolarHBondContact ND2-OE1 3.2Å; E116-C118 PolarHBondContact O-N 2.95Å
117	I	94.2	Very high	83.1	Confident	22 Å²	22	80.6 Å²	80.6	11%	0.113	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	106	175	-60.6	176.8	0	0	0	108.9	A66 Y74 M98 V103 V105 L144	A66-I117 PolarHBondContact O-N 3.06Å; Y74-I117 VanDerWaalsContact CB-CD1 3.46Å; Y74-I117 HydrophobicContact CD1-CD1 4.41Å; Y74-I117 HydrophobicContact CD2-CD1 3.66Å; Y74-I117 HydrophobicContact CE2-CD1 4.48Å; Y74-I117 HydrophobicContact CG-CD1 3.59Å; M98-I117 HydrophobicContact SD-CD1 3.86Å; V103-I117 HydrophobicContact CB-CG2 4.37Å; V103-I117 HydrophobicContact CG1-CG2 4.29Å; V105-I117 HydrophobicContact CG1-CG1 4.37Å; I117-L144 HydrophobicContact CD1-CD1 4.33Å; I117-L144 HydrophobicContact CD1-CD2 4.11Å; I117-L144 HydrophobicContact CG1-CD1 4.4Å
118	C	94.1	Very high	81.9	Confident	72 Å²	72	78.7 Å²	78.7	49%	0.486	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	-38.9	-179.9	-55.1	0	0	0	0	112	I104 A106 E116	I104-C118 PolarHBondContact O-N 2.87Å; A106-C118 VanDerWaalsContact CB-SG 3.53Å; A106-C118 PolarHBondContact N-SG 2.83Å; E116-C118 PolarHBondContact O-N 2.95Å
119	S	93.9	Very high	81	Confident	47 Å²	47	86.4 Å²	86.4	33%	0.329	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	160.5	179.4	72.8	0	0	0	0	111.6	V103 I104	V103-S119 VanDerWaalsContact CA-O 3.3Å; V103-S119 WeakPolarHBondContact CA-O 3.17Å; V103-S119 WeakPolarHBondContact CB-O 3.29Å; I104-S119 WeakPolarHBondContact CB-OG 3.27Å; I104-S119 WeakPolarHBondContact CG1-OG 3.34Å; I104-S119 PolarHBondContact N-O 2.78Å; I104-S119 VanDerWaalsContact N-O 3.12Å; I104-S119 PolarHBondContact O-N 3.37Å
120	R	92.5	Very high	80.3	Confident	141 Å²	141	80.3 Å²	80.3	53%	0.532	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.3	173.4	68.1	179.1	179.9	177.5	-1.5	110.1	Y101 D102 V103	Y101-R120 HydrophobicContact CD1-CB 4.31Å; Y101-R120 HydrophobicContact CD1-CG 4.4Å; D102-R120 CarbonylContact O-C 3.57Å; D102-R120 WeakPolarHBondContact O-CA 3.45Å; V103-R120 HydrophobicContact CG1-CB 4.06Å
121	T	91.7	Very high	79.8	Confident	49 Å²	49	75.5 Å²	75.5	30%	0.301	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	148.5	179.9	48.2	0	0	0	0	108.6	Y101 D102 A123 E141	Y101-T121 CarbonylContact C-O 3.26Å; Y101-T121 WeakPolarHBondContact CA-O 3.31Å; Y101-T121 WeakPolarHBondContact CB-O 3.43Å; Y101-T121 VanDerWaalsContact CD1-O 3.31Å; Y101-T121 WeakPolarHBondContact CD1-O 3.47Å; D102-T121 PolarHBondContact N-O 2.82Å; D102-T121 PolarHBondContact O-N 2.77Å; D102-T121 PolarHBondContact O-OG1 2.84Å; T121-A123 PolarHBondContact O-N 3.32Å; T121-E141 VanDerWaalsContact CB-OE1 3.24Å; T121-E141 WeakPolarHBondContact CB-OE1 3.43Å; T121-E141 WeakPolarHBondContact CG2-OE1 3.46Å; T121-E141 PolarHBondContact OG1-OE1 3.23Å
122	L	87.1	Confident	79.2	Confident	136 Å²	136	78.2 Å²	78.2	71%	0.712	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	124.5	173	-92.5	147.7	0	0	0	108.3	Y101 K124	Y101-L122 HydrophobicContact CE1-CG 4.15Å; L122-K124 PolarHBondContact O-N 3.36Å
123	A	82.7	Confident	78.3	Confident	34 Å²	34	81.5 Å²	81.5	28%	0.281	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-58.7	124.6	-176.5	0	0	0	0	0	109.2	G100 D102 T121 V125	G100-A123 VanDerWaalsContact O-CB 3.32Å; G100-A123 WeakPolarHBondContact O-CB 3.25Å; G100-A123 PolarHBondContact O-N 3.05Å; D102-A123 WeakPolarHBondContact OD2-CA 3.41Å; T121-A123 PolarHBondContact O-N 3.32Å; A123-V125 PolarHBondContact O-N 2.93Å
124	K	69.5	Low	77.8	Confident	171 Å²	171	83.4 Å²	83.4	74%	0.743	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-69.5	120.2	167.5	-70.6	175.5	-175.4	163.2	0	104.8	L122 A126	L122-K124 PolarHBondContact O-N 3.36Å; K124-A126 VanDerWaalsContact C-N 3.25Å; K124-A126 PolarHBondContact O-N 3.47Å
125	V	56	Low	77.1	Confident	122 Å²	122	83.9 Å²	83.9	74%	0.739	44%	0.436	S	S	*	.			trans	-56.9	92.6	-179.1	-178.2	0	0	0	0	109.1	A123 H127	A123-V125 PolarHBondContact O-N 2.93Å; V125-H127 WeakPolarHBondContact CG1-NE2 3.05Å
126	A	55.5	Low	76.2	Confident	69 Å²	69	84.2 Å²	84.2	57%	0.57	44%	0.437	S	S	*	.			trans	-99.8	90.6	174.8	0	0	0	0	0	105.6	K124 F128	K124-A126 VanDerWaalsContact C-N 3.25Å; K124-A126 PolarHBondContact O-N 3.47Å; A126-F128 PolarHBondContact O-N 2.73Å
127	H	56.5	Low	75.3	Confident	151 Å²	151	86.2 Å²	86.2	70%	0.699	45%	0.448	S	S	*	.			trans	-61.7	128.7	163.3	-66.3	-55	0	0	0	107.6	V125 Q129	V125-H127 WeakPolarHBondContact CG1-NE2 3.05Å; H127-Q129 PolarHBondContact O-N 2.76Å; H127-Q129 VanDerWaalsContact O-N 3.08Å
128	F	65.4	Low	74.3	Confident	43 Å²	43	91.4 Å²	91.4	19%	0.189	47%	0.47	C	S	.	.			trans	-54.8	118.4	173	172	-115.3	0	0	0	109.2	A126 G130 D131 F132 L135 D184	A126-F128 PolarHBondContact O-N 2.73Å; F128-G130 PolarHBondContact O-N 3.4Å; F128-D131 WeakPolarHBondContact CE2-O 3.31Å; F128-F132 HydrophobicContact CD1-CE1 4.44Å; F128-F132 AromaticContact CE1-CD1 3.69Å; F128-F132 HydrophobicContact CE1-CD1 3.69Å; F128-F132 AromaticContact CE1-CE1 3.24Å; F128-F132 HydrophobicContact CE1-CE1 3.24Å; F128-F132 HydrophobicContact CE1-CE2 4.31Å; F128-F132 HydrophobicContact CE1-CG 4.4Å; F128-F132 AromaticContact CE1-CZ 3.61Å; F128-F132 HydrophobicContact CE1-CZ 3.61Å; F128-F132 HydrophobicContact CE2-CD1 4.37Å; F128-F132 HydrophobicContact CZ-CB 4.42Å; F128-F132 AromaticContact CZ-CD1 3.3Å; F128-F132 HydrophobicContact CZ-CD1 3.3Å; F128-F132 HydrophobicContact CZ-CD2 4.24Å; F128-F132 AromaticContact CZ-CE1 3.42Å; F128-F132 HydrophobicContact CZ-CE1 3.42Å; F128-F132 VanDerWaalsContact CZ-CE1 3.42Å; F128-F132 HydrophobicContact CZ-CE2 4.32Å; F128-F132 AromaticContact CZ-CG 3.76Å; F128-F132 HydrophobicContact CZ-CG 3.76Å; F128-F132 AromaticContact CZ-CZ 3.95Å; F128-F132 HydrophobicContact CZ-CZ 3.95Å; F128-L135 HydrophobicContact CD2-CD1 4.19Å; F128-L135 HydrophobicContact CD2-CD2 3.64Å; F128-L135 HydrophobicContact CD2-CG 3.87Å; F128-L135 HydrophobicContact CE1-CD1 4.32Å; F128-L135 HydrophobicContact CE2-CD1 3.52Å; F128-L135 HydrophobicContact CE2-CD2 3.78Å; F128-L135 HydrophobicContact CE2-CG 3.44Å; F128-L135 VanDerWaalsContact CE2-CG 3.44Å; F128-L135 HydrophobicContact CG-CD2 4.35Å; F128-L135 HydrophobicContact CZ-CD1 3.61Å; F128-L135 HydrophobicContact CZ-CG 4.08Å; F128-D184 HydrophobicContact CB-CB 3.57Å; F128-D184 HydrophobicContact CG-CB 4.38Å
129	Q	67.1	Low	73.7	Confident	190 Å²	190	92.4 Å²	92.4	89%	0.888	47%	0.468	S	S	*	.			trans	-81.5	7.4	-172.4	-65.2	-170.1	-19.3	0	0	113.3	H127 D131	H127-Q129 PolarHBondContact O-N 2.76Å; H127-Q129 VanDerWaalsContact O-N 3.08Å; Q129-D131 VanDerWaalsContact C-N 3.32Å
130	G	68.8	Low	73.4	Confident	40 Å²	40	95.9 Å²	95.9	41%	0.412	48%	0.483	S	S	.	.	S	Bend	trans	84.5	-1.7	-175.8	0	0	0	0	0	114.5	F128 F132	F128-G130 PolarHBondContact O-N 3.4Å; G130-F132 WeakPolarHBondContact O-CD2 3.35Å; G130-F132 WeakPolarHBondContact O-CE2 3.36Å; G130-F132 PolarHBondContact O-N 2.91Å; G130-F132 VanDerWaalsContact O-N 3.13Å
131	D	73.4	Confident	73.2	Confident	55 Å²	55	92.9 Å²	92.9	29%	0.294	48%	0.475	S	S	.	.			trans	-84.2	87.2	174.1	-162.8	-15.2	0	0	0	111.1	F128 Q129 R133 T134	F128-D131 WeakPolarHBondContact CE2-O 3.31Å; Q129-D131 VanDerWaalsContact C-N 3.32Å; D131-R133 PolarHBondContact O-N 2.87Å; D131-R133 WeakPolarHBondContact OD1-CB 3.25Å; D131-R133 IonicContact OD1-CZ 3.72Å; D131-R133 PolarHBondContact OD1-N 3.45Å; D131-R133 IonicContact OD1-NE 3.12Å; D131-R133 PolarHBondContact OD1-NE 3.2Å; D131-R133 IonicContact OD1-NH2 3.63Å; D131-R133 PolarHBondContact OD1-NH2 3.46Å; D131-R133 IonicContact OD2-CZ 2.96Å; D131-R133 IonicContact OD2-NE 3.58Å; D131-R133 IonicContact OD2-NH2 3.69Å; D131-R133 PolarHBondContact OD2-NH2 3.33Å; D131-T134 HydrophobicContact CB-CG2 4.39Å; D131-T134 PolarHBondContact O-N 2.62Å; D131-T134 VanDerWaalsContact O-N 3.08Å; D131-T134 PolarHBondContact O-OG1 3.28Å
132	F	69.9	Low	73.1	Confident	100 Å²	100	91.3 Å²	91.3	44%	0.439	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-60.6	-18.7	-177.3	-63.5	-74.6	0	0	0	114.2	F128 G130 T134 L135 I189	F128-F132 HydrophobicContact CD1-CE1 4.44Å; F128-F132 AromaticContact CE1-CD1 3.69Å; F128-F132 HydrophobicContact CE1-CD1 3.69Å; F128-F132 AromaticContact CE1-CE1 3.24Å; F128-F132 HydrophobicContact CE1-CE1 3.24Å; F128-F132 HydrophobicContact CE1-CE2 4.31Å; F128-F132 HydrophobicContact CE1-CG 4.4Å; F128-F132 AromaticContact CE1-CZ 3.61Å; F128-F132 HydrophobicContact CE1-CZ 3.61Å; F128-F132 HydrophobicContact CE2-CD1 4.37Å; F128-F132 HydrophobicContact CZ-CB 4.42Å; F128-F132 AromaticContact CZ-CD1 3.3Å; F128-F132 HydrophobicContact CZ-CD1 3.3Å; F128-F132 HydrophobicContact CZ-CD2 4.24Å; F128-F132 AromaticContact CZ-CE1 3.42Å; F128-F132 HydrophobicContact CZ-CE1 3.42Å; F128-F132 VanDerWaalsContact CZ-CE1 3.42Å; F128-F132 HydrophobicContact CZ-CE2 4.32Å; F128-F132 AromaticContact CZ-CG 3.76Å; F128-F132 HydrophobicContact CZ-CG 3.76Å; F128-F132 AromaticContact CZ-CZ 3.95Å; F128-F132 HydrophobicContact CZ-CZ 3.95Å; G130-F132 WeakPolarHBondContact O-CD2 3.35Å; G130-F132 WeakPolarHBondContact O-CE2 3.36Å; G130-F132 PolarHBondContact O-N 2.91Å; G130-F132 VanDerWaalsContact O-N 3.13Å; F132-T134 PolarHBondContact O-N 3.17Å; F132-L135 HydrophobicContact CB-CD1 4.33Å; F132-L135 HydrophobicContact CD1-CD1 3.53Å; F132-L135 HydrophobicContact CE1-CD1 4.29Å; F132-L135 HydrophobicContact CG-CD1 4.38Å; F132-I189 HydrophobicContact CB-CD1 4.21Å; F132-I189 HydrophobicContact CD1-CB 3.93Å; F132-I189 HydrophobicContact CD1-CD1 3.42Å; F132-I189 VanDerWaalsContact CD1-CD1 3.42Å; F132-I189 HydrophobicContact CD1-CG1 4.26Å; F132-I189 HydrophobicContact CD1-CG2 3.55Å; F132-I189 HydrophobicContact CE1-CB 3.62Å; F132-I189 HydrophobicContact CE1-CD1 3.9Å; F132-I189 HydrophobicContact CE1-CG1 4.35Å; F132-I189 HydrophobicContact CE1-CG2 3.46Å; F132-I189 VanDerWaalsContact CE1-CG2 3.46Å; F132-I189 HydrophobicContact CG-CD1 3.87Å
133	R	67	Low	73.4	Confident	192 Å²	192	85.5 Å²	85.5	73%	0.725	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-70.7	-20.2	178.1	-61.7	170.4	-66.4	178.2	4.5	112.4	D131	D131-R133 PolarHBondContact O-N 2.87Å; D131-R133 WeakPolarHBondContact OD1-CB 3.25Å; D131-R133 IonicContact OD1-CZ 3.72Å; D131-R133 PolarHBondContact OD1-N 3.45Å; D131-R133 IonicContact OD1-NE 3.12Å; D131-R133 PolarHBondContact OD1-NE 3.2Å; D131-R133 IonicContact OD1-NH2 3.63Å; D131-R133 PolarHBondContact OD1-NH2 3.46Å; D131-R133 IonicContact OD2-CZ 2.96Å; D131-R133 IonicContact OD2-NE 3.58Å; D131-R133 IonicContact OD2-NH2 3.69Å; D131-R133 PolarHBondContact OD2-NH2 3.33Å
134	T	73.8	Confident	73.9	Confident	58 Å²	58	84 Å²	84	36%	0.356	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-95.3	-10.5	-178.2	67.4	0	0	0	0	113.7	D131 F132 H136 L137	D131-T134 HydrophobicContact CB-CG2 4.39Å; D131-T134 PolarHBondContact O-N 2.62Å; D131-T134 VanDerWaalsContact O-N 3.08Å; D131-T134 PolarHBondContact O-OG1 3.28Å; F132-T134 PolarHBondContact O-N 3.17Å; T134-H136 VanDerWaalsContact C-N 3.31Å; T134-H136 PolarHBondContact O-N 3.03Å; T134-L137 HydrophobicContact CG2-CD1 4.17Å; T134-L137 PolarHBondContact O-N 3Å
135	L	74.2	Confident	75	Confident	23 Å²	23	76.5 Å²	76.5	12%	0.12	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-34.4	-176	-81.8	164.6	0	0	0	113.5	F128 F132 D184 I189	F128-L135 HydrophobicContact CD2-CD1 4.19Å; F128-L135 HydrophobicContact CD2-CD2 3.64Å; F128-L135 HydrophobicContact CD2-CG 3.87Å; F128-L135 HydrophobicContact CE1-CD1 4.32Å; F128-L135 HydrophobicContact CE2-CD1 3.52Å; F128-L135 HydrophobicContact CE2-CD2 3.78Å; F128-L135 HydrophobicContact CE2-CG 3.44Å; F128-L135 VanDerWaalsContact CE2-CG 3.44Å; F128-L135 HydrophobicContact CG-CD2 4.35Å; F128-L135 HydrophobicContact CZ-CD1 3.61Å; F128-L135 HydrophobicContact CZ-CG 4.08Å; F132-L135 HydrophobicContact CB-CD1 4.33Å; F132-L135 HydrophobicContact CD1-CD1 3.53Å; F132-L135 HydrophobicContact CE1-CD1 4.29Å; F132-L135 HydrophobicContact CG-CD1 4.38Å; L135-D184 WeakPolarHBondContact CD2-O 3.49Å; L135-I189 HydrophobicContact CD1-CG2 3.87Å
136	H	72.2	Confident	76.7	Confident	16 Å²	16	71 Å²	71	7%	0.074	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	5.6	-176.7	-56.1	-81.9	0	0	0	112.6	T134 K138 F162 L186 R325	T134-H136 VanDerWaalsContact C-N 3.31Å; T134-H136 PolarHBondContact O-N 3.03Å; H136-K138 PolarHBondContact O-N 2.77Å; H136-F162 HydrophobicContact CB-CB 3.82Å; H136-F162 AromaticContact ND1-CG 3.98Å; H136-L186 PolarHBondContact CE1-O 3.3Å; H136-R325 PolarHBondContact CD2-NH2 3.12Å; H136-R325 PolarHBondContact NE2-NH1 2.88Å; H136-R325 PolarHBondContact NE2-NH2 3.36Å; H136-R325 VanDerWaalsContact NE2-NH2 3.12Å
137	L	75.3	Confident	78.5	Confident	79 Å²	79	68.1 Å²	68.1	41%	0.414	33%	0.331	S	S	.	.	S	Bend	trans	-67.5	129.8	167.5	-69.7	176.1	0	0	0	108.4	T134 Q139	T134-L137 HydrophobicContact CG2-CD1 4.17Å; T134-L137 PolarHBondContact O-N 3Å; L137-Q139 PolarHBondContact O-N 3.46Å; L137-Q139 VanDerWaalsContact O-N 3.15Å
138	K	73.5	Confident	80.3	Confident	132 Å²	132	61 Å²	61	57%	0.574	30%	0.298	S	S	*	.			trans	-60.3	118.1	175.2	-176.5	170.1	-177.3	177.6	0	109.8	H136 E150	H136-K138 PolarHBondContact O-N 2.77Å; K138-E150 WeakPolarHBondContact CA-OE1 3.28Å; K138-E150 WeakPolarHBondContact CB-OE1 3.27Å; K138-E150 WeakPolarHBondContact CG-OE1 3.04Å
139	Q	81.2	Confident	81.6	Confident	92 Å²	92	59.2 Å²	59.2	43%	0.43	29%	0.29	S	S	.	.			trans	-116.9	132.8	173.6	-64	177.7	13.4	0	0	108.4	L137 E141 R142	L137-Q139 PolarHBondContact O-N 3.46Å; L137-Q139 VanDerWaalsContact O-N 3.15Å; Q139-E141 VanDerWaalsContact C-N 3.33Å; Q139-R142 PolarHBondContact O-NE 3.37Å
140	D	87.3	Confident	82.7	Confident	120 Å²	120	51.4 Å²	51.4	64%	0.642	25%	0.254	S	S	*	.	S	Bend	trans	-66.8	-37.6	-177.7	-64.4	-29.1	0	0	0	111.7	H147	D140-H147 PolarHBondContact O-CE1 2.87Å; D140-H147 VanDerWaalsContact O-CE1 3.26Å; D140-H147 PolarHBondContact O-NE2 2.94Å
141	E	90.2	Very high	83.8	Confident	78 Å²	78	50.3 Å²	50.3	36%	0.364	24%	0.241	S	C	.	.	S	Bend	trans	-113.7	111.9	-177.5	-176.8	177.9	-162.2	0	0	109.9	D102 I104 T121 Q139	D102-E141 HydrophobicContact CB-CG 3.67Å; I104-E141 HydrophobicContact CG1-CB 4.13Å; T121-E141 VanDerWaalsContact CB-OE1 3.24Å; T121-E141 WeakPolarHBondContact CB-OE1 3.43Å; T121-E141 WeakPolarHBondContact CG2-OE1 3.46Å; T121-E141 PolarHBondContact OG1-OE1 3.23Å; Q139-E141 VanDerWaalsContact C-N 3.33Å
142	R	89.6	Confident	84.6	Confident	16 Å²	16	47.7 Å²	47.7	6%	0.06	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-165.7	177	179.5	57.4	-177.6	180	-160	-13.2	110.7	D102 V103 Q139 A146 H147 E150	D102-R142 WeakPolarHBondContact CA-O 3.27Å; D102-R142 VanDerWaalsContact OD1-C 3.29Å; D102-R142 WeakPolarHBondContact OD1-CA 3.31Å; V103-R142 WeakPolarHBondContact CG2-O 3.34Å; V103-R142 PolarHBondContact N-O 2.94Å; V103-R142 PolarHBondContact O-N 3.44Å; Q139-R142 PolarHBondContact O-NE 3.37Å; R142-A146 HydrophobicContact CG-CB 4.15Å; R142-H147 WeakPolarHBondContact CG-NE2 3.22Å; R142-H147 PolarHBondContact NE-CE1 3.16Å; R142-H147 VanDerWaalsContact NE-CE1 3.35Å; R142-H147 PolarHBondContact NE-ND1 3.37Å; R142-H147 VanDerWaalsContact NE-ND1 3.12Å; R142-H147 PolarHBondContact NH2-ND1 3.26Å; R142-E150 IonicContact CZ-OE1 2.85Å; R142-E150 IonicContact CZ-OE2 3.9Å; R142-E150 IonicContact NH1-OE1 2.84Å; R142-E150 PolarHBondContact NH1-OE1 2.9Å; R142-E150 IonicContact NH1-OE2 3.1Å; R142-E150 IonicContact NH2-OE1 3.88Å; R142-E150 PolarHBondContact NH2-OE1 2.92Å; R142-E150 VanDerWaalsContact NH2-OE1 3.1Å; R142-E150 IonicContact NH2-OE2 3.42Å; R142-E150 PolarHBondContact NH2-OE2 2.64Å
143	C	91.7	Very high	85.5	Confident	15 Å²	15	43.2 Å²	43.2	10%	0.101	21%	0.207	C	C	.	.			trans	-62	152.3	179	70.9	0	0	0	0	112.8	D102 E145 A146 H147	D102-C143 PolarHBondContact OD1-N 3.41Å; C143-E145 VanDerWaalsContact C-N 3.32Å; C143-E145 PolarHBondContact O-N 2.97Å; C143-A146 PolarHBondContact O-N 3.06Å; C143-A146 VanDerWaalsContact O-N 3.14Å; C143-A146 VanDerWaalsContact SG-CB 3.59Å; C143-H147 PolarHBondContact O-N 3.45Å
144	L	93.5	Very high	86.5	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-63	-38.1	-174.3	-176.6	59.8	0	0	0	112.6	A65 Y74 M98 V103 V105 I117 A146 H147 M148	A65-L144 HydrophobicContact CB-CD1 3.59Å; A65-L144 HydrophobicContact CB-CD2 3.92Å; A65-L144 HydrophobicContact CB-CG 4.13Å; Y74-L144 WeakPolarHBondContact O-CD2 3.19Å; M98-L144 HydrophobicContact CB-CD2 4.41Å; M98-L144 HydrophobicContact CG-CD2 3.87Å; V103-L144 HydrophobicContact CG2-CB 4.04Å; V103-L144 HydrophobicContact CG2-CD1 3.98Å; V105-L144 HydrophobicContact CG1-CD1 4.12Å; I117-L144 HydrophobicContact CD1-CD1 4.33Å; I117-L144 HydrophobicContact CD1-CD2 4.11Å; I117-L144 HydrophobicContact CG1-CD1 4.4Å; L144-A146 VanDerWaalsContact C-N 3.28Å; L144-A146 PolarHBondContact O-N 3.29Å; L144-H147 PolarHBondContact O-N 2.97Å; L144-M148 HydrophobicContact CG-CE 4.19Å; L144-M148 WeakPolarHBondContact O-CG 3.28Å; L144-M148 PolarHBondContact O-N 3.42Å
145	E	93.5	Very high	87.1	Confident	15 Å²	15	34.8 Å²	34.8	7%	0.07	17%	0.174	C	C	.	.	H	α-helix	trans	-63.7	-32.1	177.1	-65.2	105.9	128.7	0	0	113.3	S94 C143 M148 F149 R178 L181 L186	S94-E145 PolarHBondContact OG-OE1 3.2Å; S94-E145 PolarHBondContact OG-OE2 2.82Å; C143-E145 VanDerWaalsContact C-N 3.32Å; C143-E145 PolarHBondContact O-N 2.97Å; E145-M148 HydrophobicContact CB-CE 4.47Å; E145-M148 HydrophobicContact CG-CE 4.04Å; E145-F149 WeakPolarHBondContact O-CB 3.22Å; E145-F149 PolarHBondContact O-N 3.17Å; E145-R178 IonicContact OE1-CZ 3.62Å; E145-R178 IonicContact OE1-NH2 3.4Å; E145-R178 PolarHBondContact OE1-NH2 2.78Å; E145-L181 HydrophobicContact CB-CD2 4.4Å; E145-L181 HydrophobicContact CG-CD2 4.28Å; E145-L181 VanDerWaalsContact OE1-CD2 3.27Å; E145-L181 WeakPolarHBondContact OE1-CD2 3.17Å; E145-L186 HydrophobicContact CB-CD1 4.13Å; E145-L186 HydrophobicContact CB-CD2 4.42Å
146	A	92.2	Very high	87.6	Confident	6 Å²	6	34.4 Å²	34.4	5%	0.05	17%	0.174	C	C	.	.	H	α-helix	trans	-68.3	-39.2	175.7	0	0	0	0	0	111.4	R142 C143 L144 F149 E150 L186	R142-A146 HydrophobicContact CG-CB 4.15Å; C143-A146 PolarHBondContact O-N 3.06Å; C143-A146 VanDerWaalsContact O-N 3.14Å; C143-A146 VanDerWaalsContact SG-CB 3.59Å; L144-A146 VanDerWaalsContact C-N 3.28Å; L144-A146 PolarHBondContact O-N 3.29Å; A146-F149 PolarHBondContact O-N 3.12Å; A146-E150 WeakPolarHBondContact O-CB 3.48Å; A146-E150 PolarHBondContact O-N 2.9Å; A146-L186 HydrophobicContact CB-CD1 4.36Å
147	H	93.3	Very high	88.2	Confident	9 Å²	9	34.4 Å²	34.4	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-46.8	173.3	-74.4	-61.6	0	0	0	112.6	V103 V105 L115 D140 R142 C143 L144 F149 E150 A151	V103-H147 PolarHBondContact O-NE2 3.4Å; V105-H147 HydrophobicContact CG1-CB 4.46Å; V105-H147 HydrophobicContact CG2-CB 3.92Å; L115-H147 HydrophobicContact CD1-CB 4.2Å; D140-H147 PolarHBondContact O-CE1 2.87Å; D140-H147 VanDerWaalsContact O-CE1 3.26Å; D140-H147 PolarHBondContact O-NE2 2.94Å; R142-H147 WeakPolarHBondContact CG-NE2 3.22Å; R142-H147 PolarHBondContact NE-CE1 3.16Å; R142-H147 VanDerWaalsContact NE-CE1 3.35Å; R142-H147 PolarHBondContact NE-ND1 3.37Å; R142-H147 VanDerWaalsContact NE-ND1 3.12Å; R142-H147 PolarHBondContact NH2-ND1 3.26Å; C143-H147 PolarHBondContact O-N 3.45Å; L144-H147 PolarHBondContact O-N 2.97Å; H147-F149 VanDerWaalsContact C-N 3.31Å; H147-F149 PolarHBondContact O-N 3.33Å; H147-E150 PolarHBondContact O-N 3Å; H147-A151 WeakPolarHBondContact O-CB 3.31Å; H147-A151 PolarHBondContact O-N 3.36Å
148	M	93.2	Very high	88.4	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.3	-40.2	177.4	-68.2	-172.5	-63.3	0	0	111.6	V63 A65 T76 A77 E93 L115 L144 E145 A151 L152	V63-M148 HydrophobicContact CG1-CB 4.36Å; V63-M148 HydrophobicContact CG1-CG 4.17Å; A65-M148 HydrophobicContact CB-CG 4.43Å; A65-M148 HydrophobicContact CB-SD 4.19Å; T76-M148 PolarHBondContact N-SD 2.9Å; T76-M148 VanDerWaalsContact N-SD 3.37Å; A77-M148 HydrophobicContact CB-CB 3.85Å; A77-M148 HydrophobicContact CB-SD 4.37Å; E93-M148 WeakPolarHBondContact O-CE 3.44Å; L115-M148 HydrophobicContact CD1-CG 4.13Å; L144-M148 HydrophobicContact CG-CE 4.19Å; L144-M148 WeakPolarHBondContact O-CG 3.28Å; L144-M148 PolarHBondContact O-N 3.42Å; E145-M148 HydrophobicContact CB-CE 4.47Å; E145-M148 HydrophobicContact CG-CE 4.04Å; M148-A151 PolarHBondContact O-N 2.73Å; M148-L152 WeakPolarHBondContact O-CG 3.05Å; M148-L152 PolarHBondContact O-N 3.14Å
149	F	92.8	Very high	88.2	Confident	6 Å²	6	30.1 Å²	30.1	3%	0.026	17%	0.172	C	C	.	.	H	α-helix	trans	-62.9	-50.3	175.6	-175.7	-119.7	0	0	0	111.2	L89 E145 A146 H147 A151 L152 I153 F162 V168 L186 F188 T324	L89-F149 HydrophobicContact CD1-CD2 4.3Å; L89-F149 HydrophobicContact CD2-CD2 4.14Å; L89-F149 HydrophobicContact CD2-CE2 4.23Å; E145-F149 WeakPolarHBondContact O-CB 3.22Å; E145-F149 PolarHBondContact O-N 3.17Å; A146-F149 PolarHBondContact O-N 3.12Å; H147-F149 VanDerWaalsContact C-N 3.31Å; H147-F149 PolarHBondContact O-N 3.33Å; F149-A151 VanDerWaalsContact C-N 3.28Å; F149-A151 PolarHBondContact O-N 3.17Å; F149-L152 WeakPolarHBondContact O-CB 3.45Å; F149-L152 PolarHBondContact O-N 3.4Å; F149-L152 VanDerWaalsContact O-N 3.08Å; F149-I153 HydrophobicContact CD1-CG1 4.36Å; F149-I153 HydrophobicContact CD2-CD1 4.37Å; F149-I153 HydrophobicContact CD2-CG1 4.3Å; F149-I153 HydrophobicContact CE1-CD1 4.48Å; F149-I153 HydrophobicContact CE1-CG1 4.07Å; F149-I153 HydrophobicContact CE2-CD1 3.74Å; F149-I153 HydrophobicContact CE2-CG1 4.01Å; F149-I153 HydrophobicContact CG-CG1 4.47Å; F149-I153 HydrophobicContact CZ-CD1 3.81Å; F149-I153 HydrophobicContact CZ-CG1 3.9Å; F149-I153 VanDerWaalsContact O-CG1 3.3Å; F149-I153 WeakPolarHBondContact O-CG1 3.48Å; F149-I153 PolarHBondContact O-N 3.28Å; F149-F162 HydrophobicContact CE1-CD2 4.31Å; F149-F162 HydrophobicContact CE1-CE2 4.02Å; F149-F162 HydrophobicContact CZ-CD2 4.42Å; F149-F162 AromaticContact CZ-CE2 3.69Å; F149-F162 HydrophobicContact CZ-CE2 3.69Å; F149-F162 HydrophobicContact CZ-CZ 4.48Å; F149-V168 HydrophobicContact CE2-CB 4.47Å; F149-V168 HydrophobicContact CE2-CG1 4.08Å; F149-V168 HydrophobicContact CZ-CB 4.36Å; F149-V168 HydrophobicContact CZ-CG1 4.41Å; F149-L186 HydrophobicContact CB-CD2 4.13Å; F149-L186 HydrophobicContact CB-CG 4.12Å; F149-L186 HydrophobicContact CD1-CB 4.08Å; F149-L186 HydrophobicContact CD1-CG 4.23Å; F149-L186 HydrophobicContact CE1-CB 4.45Å; F149-L186 WeakPolarHBondContact CE1-O 3.46Å; F149-L186 HydrophobicContact CG-CB 4.49Å; F149-L186 HydrophobicContact CG-CD2 4.27Å; F149-L186 HydrophobicContact CG-CG 4.26Å; F149-F188 HydrophobicContact CD2-CE2 4.38Å; F149-F188 HydrophobicContact CE1-CE2 4.14Å; F149-F188 AromaticContact CE2-CE2 3.79Å; F149-F188 HydrophobicContact CE2-CE2 3.79Å; F149-F188 AromaticContact CE2-CZ 3.75Å; F149-F188 HydrophobicContact CE2-CZ 3.75Å; F149-F188 AromaticContact CZ-CE2 3.65Å; F149-F188 HydrophobicContact CZ-CE2 3.65Å; F149-F188 AromaticContact CZ-CZ 3.78Å; F149-F188 HydrophobicContact CZ-CZ 3.78Å; F149-T324 HydrophobicContact CE1-CG2 4.44Å; F149-T324 HydrophobicContact CZ-CG2 3.98Å
150	E	90.7	Very high	87.2	Confident	27 Å²	27	31 Å²	31	13%	0.126	18%	0.175	C	C	.	.	H	α-helix	trans	-55.7	-43.7	176.4	-176.2	-173.7	-97.9	0	0	111.9	K138 R142 A146 H147 L152 I153 S154 F160	K138-E150 WeakPolarHBondContact CA-OE1 3.28Å; K138-E150 WeakPolarHBondContact CB-OE1 3.27Å; K138-E150 WeakPolarHBondContact CG-OE1 3.04Å; R142-E150 IonicContact CZ-OE1 2.85Å; R142-E150 IonicContact CZ-OE2 3.9Å; R142-E150 IonicContact NH1-OE1 2.84Å; R142-E150 PolarHBondContact NH1-OE1 2.9Å; R142-E150 IonicContact NH1-OE2 3.1Å; R142-E150 IonicContact NH2-OE1 3.88Å; R142-E150 PolarHBondContact NH2-OE1 2.92Å; R142-E150 VanDerWaalsContact NH2-OE1 3.1Å; R142-E150 IonicContact NH2-OE2 3.42Å; R142-E150 PolarHBondContact NH2-OE2 2.64Å; A146-E150 WeakPolarHBondContact O-CB 3.48Å; A146-E150 PolarHBondContact O-N 2.9Å; H147-E150 PolarHBondContact O-N 3Å; E150-L152 VanDerWaalsContact C-N 3.33Å; E150-L152 PolarHBondContact O-N 2.97Å; E150-I153 PolarHBondContact O-N 3.11Å; E150-S154 WeakPolarHBondContact O-CB 3.08Å; E150-S154 PolarHBondContact O-N 3.05Å; E150-F160 HydrophobicContact CG-CD1 4.49Å
151	A	91.1	Very high	85.9	Confident	17 Å²	17	29.5 Å²	29.5	14%	0.14	17%	0.167	C	C	.	.	H	α-helix	trans	-60.5	-42.3	177.3	0	0	0	0	0	112	V63 L115 H147 M148 F149 K155	V63-A151 HydrophobicContact CG1-CB 4.14Å; V63-A151 HydrophobicContact CG2-CB 3.78Å; L115-A151 HydrophobicContact CD1-CB 4.21Å; L115-A151 HydrophobicContact CD2-CB 4.45Å; H147-A151 WeakPolarHBondContact O-CB 3.31Å; H147-A151 PolarHBondContact O-N 3.36Å; M148-A151 PolarHBondContact O-N 2.73Å; F149-A151 VanDerWaalsContact C-N 3.28Å; F149-A151 PolarHBondContact O-N 3.17Å; A151-K155 WeakPolarHBondContact O-CB 3.36Å; A151-K155 VanDerWaalsContact O-CG 3.24Å; A151-K155 WeakPolarHBondContact O-CG 3.05Å; A151-K155 PolarHBondContact O-N 2.99Å
152	L	90.3	Very high	84.7	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.1	-43.3	174.3	-72	172.8	0	0	0	112.3	R61 V63 A77 M79 L89 M148 F149 E150 K155 A156	R61-L152 HydrophobicContact CB-CD2 3.73Å; R61-L152 VanDerWaalsContact O-CD2 3.24Å; R61-L152 WeakPolarHBondContact O-CD2 3.17Å; V63-L152 HydrophobicContact CB-CD2 4.34Å; V63-L152 HydrophobicContact CB-CG 4.42Å; V63-L152 HydrophobicContact CG2-CD2 3.83Å; V63-L152 HydrophobicContact CG2-CG 4.02Å; A77-L152 HydrophobicContact CB-CD1 3.45Å; A77-L152 VanDerWaalsContact CB-CD1 3.45Å; A77-L152 HydrophobicContact CB-CG 4.35Å; M79-L152 HydrophobicContact CB-CB 4.49Å; M79-L152 HydrophobicContact CB-CD1 4.15Å; M79-L152 HydrophobicContact CB-CD2 4.33Å; M79-L152 HydrophobicContact CE-CB 4.18Å; M79-L152 WeakPolarHBondContact CE-O 3.44Å; L89-L152 HydrophobicContact CD1-CD1 3.76Å; M148-L152 WeakPolarHBondContact O-CG 3.05Å; M148-L152 PolarHBondContact O-N 3.14Å; F149-L152 WeakPolarHBondContact O-CB 3.45Å; F149-L152 PolarHBondContact O-N 3.4Å; F149-L152 VanDerWaalsContact O-N 3.08Å; E150-L152 VanDerWaalsContact C-N 3.33Å; E150-L152 PolarHBondContact O-N 2.97Å; L152-K155 PolarHBondContact O-N 2.66Å; L152-A156 VanDerWaalsContact O-CB 3.24Å; L152-A156 WeakPolarHBondContact O-CB 3.27Å; L152-A156 PolarHBondContact O-N 3.34Å
153	I	89.2	Confident	83.3	Confident	5 Å²	5	29 Å²	29	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-65.8	-46.4	179.5	-62.1	-47	0	0	0	111.3	M79 F149 E150 K155 A156 F157 F162 V168	M79-I153 HydrophobicContact CE-CD1 3.99Å; M79-I153 HydrophobicContact SD-CD1 3.85Å; F149-I153 HydrophobicContact CD1-CG1 4.36Å; F149-I153 HydrophobicContact CD2-CD1 4.37Å; F149-I153 HydrophobicContact CD2-CG1 4.3Å; F149-I153 HydrophobicContact CE1-CD1 4.48Å; F149-I153 HydrophobicContact CE1-CG1 4.07Å; F149-I153 HydrophobicContact CE2-CD1 3.74Å; F149-I153 HydrophobicContact CE2-CG1 4.01Å; F149-I153 HydrophobicContact CG-CG1 4.47Å; F149-I153 HydrophobicContact CZ-CD1 3.81Å; F149-I153 HydrophobicContact CZ-CG1 3.9Å; F149-I153 VanDerWaalsContact O-CG1 3.3Å; F149-I153 WeakPolarHBondContact O-CG1 3.48Å; F149-I153 PolarHBondContact O-N 3.28Å; E150-I153 PolarHBondContact O-N 3.11Å; I153-K155 VanDerWaalsContact C-N 3.25Å; I153-K155 PolarHBondContact O-N 2.8Å; I153-A156 PolarHBondContact O-N 2.74Å; I153-F157 HydrophobicContact CD1-CD2 4.17Å; I153-F157 HydrophobicContact CD1-CE2 3.91Å; I153-F157 HydrophobicContact CG2-CD2 4Å; I153-F157 PolarHBondContact O-N 2.95Å; I153-F162 HydrophobicContact CB-CD2 4.24Å; I153-F162 HydrophobicContact CB-CE2 4.39Å; I153-F162 HydrophobicContact CD1-CD2 4.02Å; I153-F162 HydrophobicContact CD1-CE2 3.31Å; I153-F162 HydrophobicContact CD1-CZ 4.19Å; I153-F162 HydrophobicContact CG1-CD2 3.7Å; I153-F162 HydrophobicContact CG1-CE2 3.51Å; I153-F162 HydrophobicContact CG2-CD2 3.53Å; I153-F162 HydrophobicContact CG2-CE2 3.94Å; I153-F162 HydrophobicContact CG2-CG 4.35Å; I153-V168 HydrophobicContact CD1-CG2 3.69Å
154	S	87.5	Confident	82	Confident	29 Å²	29	35.4 Å²	35.4	20%	0.203	20%	0.2	C	C	.	.	H	α-helix	trans	-57.8	-41.6	176.6	-178.9	0	0	0	0	111.1	E150 G158 F160	E150-S154 WeakPolarHBondContact O-CB 3.08Å; E150-S154 PolarHBondContact O-N 3.05Å; S154-G158 WeakPolarHBondContact O-CA 3.43Å; S154-G158 PolarHBondContact O-N 2.95Å; S154-F160 WeakPolarHBondContact OG-CE1 3.29Å; S154-F160 WeakPolarHBondContact OG-CZ 3.44Å
155	K	86.9	Confident	81.2	Confident	44 Å²	44	37.9 Å²	37.9	19%	0.191	22%	0.217	C	C	.	.	H	α-helix	trans	-74.7	-29.5	179.7	-71.6	171.6	176.4	-79.8	0	113.9	R61 V63 E112 N113 A151 L152 I153	R61-K155 HydrophobicContact CG-CB 4.19Å; R61-K155 PolarHBondContact NE-O 2.9Å; V63-K155 HydrophobicContact CG2-CD 4.21Å; E112-K155 VanDerWaalsContact CD-NZ 3.28Å; E112-K155 WeakPolarHBondContact O-CE 2.93Å; E112-K155 PolarHBondContact O-NZ 2.87Å; E112-K155 IonicContact OE1-NZ 2.67Å; E112-K155 PolarHBondContact OE1-NZ 3.43Å; N113-K155 WeakPolarHBondContact OD1-CE 3.25Å; N113-K155 PolarHBondContact OD1-NZ 3.3Å; A151-K155 WeakPolarHBondContact O-CB 3.36Å; A151-K155 VanDerWaalsContact O-CG 3.24Å; A151-K155 WeakPolarHBondContact O-CG 3.05Å; A151-K155 PolarHBondContact O-N 2.99Å; L152-K155 PolarHBondContact O-N 2.66Å; I153-K155 VanDerWaalsContact C-N 3.25Å; I153-K155 PolarHBondContact O-N 2.8Å
156	A	84.9	Confident	80.8	Confident	15 Å²	15	39.6 Å²	39.6	12%	0.124	22%	0.223	C	C	.	.	H	α-helix	trans	-83.3	-46.9	-179.5	0	0	0	0	0	112.4	R61 M79 L81 L152 I153	R61-A156 HydrophobicContact CG-CB 4.22Å; M79-A156 HydrophobicContact CE-CB 3.11Å; L81-A156 HydrophobicContact CD1-CB 3.61Å; L81-A156 HydrophobicContact CD2-CB 4.11Å; L81-A156 WeakPolarHBondContact CD2-O 3.4Å; L81-A156 HydrophobicContact CG-CB 3.95Å; L152-A156 VanDerWaalsContact O-CB 3.24Å; L152-A156 WeakPolarHBondContact O-CB 3.27Å; L152-A156 PolarHBondContact O-N 3.34Å; I153-A156 PolarHBondContact O-N 2.74Å
157	F	84.9	Confident	80.6	Confident	17 Å²	17	39.7 Å²	39.7	8%	0.075	22%	0.223	C	C	.	.	H	α-helix	trans	-112	-5.7	-168.5	-55.1	-57.9	0	0	0	113.5	M79 L81 D84 I153 I159 R166 V168	M79-F157 HydrophobicContact CE-CE2 4.16Å; L81-F157 HydrophobicContact CD2-CE1 4.44Å; D84-F157 WeakPolarHBondContact O-CD1 3.27Å; D84-F157 WeakPolarHBondContact O-CE1 2.96Å; I153-F157 HydrophobicContact CD1-CD2 4.17Å; I153-F157 HydrophobicContact CD1-CE2 3.91Å; I153-F157 HydrophobicContact CG2-CD2 4Å; I153-F157 PolarHBondContact O-N 2.95Å; F157-I159 WeakPolarHBondContact O-CG1 3.2Å; F157-I159 PolarHBondContact O-N 3.34Å; F157-R166 HydrophobicContact CB-CG 4.22Å; F157-R166 HydrophobicContact CD1-CG 4.41Å; F157-R166 HydrophobicContact CD2-CB 4.45Å; F157-R166 HydrophobicContact CG-CG 4.13Å; F157-V168 HydrophobicContact CE2-CG2 3.72Å; F157-V168 HydrophobicContact CZ-CG2 4.13Å
158	G	80	Confident	80.6	Confident	62 Å²	62	39.2 Å²	39.2	64%	0.639	22%	0.221	S	C	*	.	S	Bend	trans	69.6	14	179.3	0	0	0	0	0	114.4	S154	S154-G158 WeakPolarHBondContact O-CA 3.43Å; S154-G158 PolarHBondContact O-N 2.95Å
159	I	68.7	Low	80.5	Confident	59 Å²	59	39.3 Å²	39.3	30%	0.303	22%	0.221	S	C	.	.			trans	-132.7	140.6	-173.9	-54.6	166.5	0	0	0	109	F157 D161 D163	F157-I159 WeakPolarHBondContact O-CG1 3.2Å; F157-I159 PolarHBondContact O-N 3.34Å; I159-D161 VanDerWaalsContact CG2-O 3.25Å; I159-D161 WeakPolarHBondContact CG2-O 3.41Å; I159-D163 HydrophobicContact CD1-CB 4.48Å
160	F	59.5	Low	80.5	Confident	110 Å²	110	39.3 Å²	39.3	48%	0.482	22%	0.221	S	C	.	.	S	Bend	trans	-92.5	-36.6	179.8	-65.8	-80.2	0	0	0	113.3	E150 S154 F162	E150-F160 HydrophobicContact CG-CD1 4.49Å; S154-F160 WeakPolarHBondContact OG-CE1 3.29Å; S154-F160 WeakPolarHBondContact OG-CZ 3.44Å; F160-F162 PolarHBondContact O-N 3.01Å
161	D	60.6	Low	80.5	Confident	88 Å²	88	38.3 Å²	38.3	47%	0.471	22%	0.216	S	C	.	.	S	Bend	trans	-92.3	100.7	176.9	-154.5	-4.2	0	0	0	107.1	I159 D163	I159-D161 VanDerWaalsContact CG2-O 3.25Å; I159-D161 WeakPolarHBondContact CG2-O 3.41Å; D161-D163 VanDerWaalsContact C-N 3.28Å; D161-D163 WeakPolarHBondContact O-CA 3.21Å; D161-D163 PolarHBondContact O-N 2.89Å
162	F	63.9	Low	80.5	Confident	7 Å²	7	37.5 Å²	37.5	3%	0.031	21%	0.21	C	C	.	.			trans	-52.8	89.6	-170.1	-158.4	-69.2	0	0	0	110.5	H136 F149 I153 F160 R166 V168 T324 R325	H136-F162 HydrophobicContact CB-CB 3.82Å; H136-F162 AromaticContact ND1-CG 3.98Å; F149-F162 HydrophobicContact CE1-CD2 4.31Å; F149-F162 HydrophobicContact CE1-CE2 4.02Å; F149-F162 HydrophobicContact CZ-CD2 4.42Å; F149-F162 AromaticContact CZ-CE2 3.69Å; F149-F162 HydrophobicContact CZ-CE2 3.69Å; F149-F162 HydrophobicContact CZ-CZ 4.48Å; I153-F162 HydrophobicContact CB-CD2 4.24Å; I153-F162 HydrophobicContact CB-CE2 4.39Å; I153-F162 HydrophobicContact CD1-CD2 4.02Å; I153-F162 HydrophobicContact CD1-CE2 3.31Å; I153-F162 HydrophobicContact CD1-CZ 4.19Å; I153-F162 HydrophobicContact CG1-CD2 3.7Å; I153-F162 HydrophobicContact CG1-CE2 3.51Å; I153-F162 HydrophobicContact CG2-CD2 3.53Å; I153-F162 HydrophobicContact CG2-CE2 3.94Å; I153-F162 HydrophobicContact CG2-CG 4.35Å; F160-F162 PolarHBondContact O-N 3.01Å; F162-R166 HydrophobicContact CD1-CB 4.36Å; F162-R166 HydrophobicContact CE1-CB 4.11Å; F162-R166 VanDerWaalsContact CE1-O 3.25Å; F162-R166 WeakPolarHBondContact CE1-O 3.43Å; F162-V168 HydrophobicContact CE2-CB 4.33Å; F162-V168 HydrophobicContact CE2-CG2 3.98Å; F162-V168 HydrophobicContact CZ-CB 3.81Å; F162-V168 HydrophobicContact CZ-CG2 3.58Å; F162-T324 HydrophobicContact CE1-CG2 4.23Å; F162-T324 WeakPolarHBondContact CE1-OG1 3.37Å; F162-T324 HydrophobicContact CE2-CG2 4.17Å; F162-T324 HydrophobicContact CZ-CG2 3.78Å; F162-T324 WeakPolarHBondContact CZ-OG1 3.15Å; F162-R325 HydrophobicContact CD1-CG 4.1Å; F162-R325 HydrophobicContact CE1-CG 4.07Å; F162-R325 PolarHBondContact O-NE 2.76Å; F162-R325 PolarHBondContact O-NH2 3.42Å
163	D	61.6	Low	80.5	Confident	76 Å²	76	37.9 Å²	37.9	41%	0.406	21%	0.212	S	C	.	.			trans	-61.1	151.9	-168.5	-177.8	23.4	0	0	0	110	I159 D161 S165 R166	I159-D163 HydrophobicContact CD1-CB 4.48Å; D161-D163 VanDerWaalsContact C-N 3.28Å; D161-D163 WeakPolarHBondContact O-CA 3.21Å; D161-D163 PolarHBondContact O-N 2.89Å; D163-S165 PolarHBondContact O-N 2.84Å; D163-S165 PolarHBondContact OD2-OG 2.91Å; D163-R166 PolarHBondContact O-N 3Å
164	L	64.6	Low	80.5	Confident	150 Å²	150	39.9 Å²	39.9	79%	0.785	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-20.1	-177.8	-67.5	171.6	0	0	0	112.8
165	S	75.2	Confident	80.5	Confident	54 Å²	54	45.2 Å²	45.2	38%	0.378	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-16.3	-180	64.3	0	0	0	0	114.6	D163	D163-S165 PolarHBondContact O-N 2.84Å; D163-S165 PolarHBondContact OD2-OG 2.91Å
166	R	85.4	Confident	80.6	Confident	51 Å²	51	44.1 Å²	44.1	19%	0.192	25%	0.247	C	C	.	.			trans	-100.5	146.2	-179.1	-55.2	-57.5	-171.4	-162.4	1.6	110.4	D84 Q85 F157 F162 D163 R325	D84-R166 WeakPolarHBondContact O-CD 3.44Å; D84-R166 PolarHBondContact O-NE 3.12Å; D84-R166 PolarHBondContact O-NH1 3.23Å; Q85-R166 CarbonylContact O-C 3.58Å; Q85-R166 VanDerWaalsContact O-CA 3.28Å; Q85-R166 WeakPolarHBondContact O-CA 3.38Å; F157-R166 HydrophobicContact CB-CG 4.22Å; F157-R166 HydrophobicContact CD1-CG 4.41Å; F157-R166 HydrophobicContact CD2-CB 4.45Å; F157-R166 HydrophobicContact CG-CG 4.13Å; F162-R166 HydrophobicContact CD1-CB 4.36Å; F162-R166 HydrophobicContact CE1-CB 4.11Å; F162-R166 VanDerWaalsContact CE1-O 3.25Å; F162-R166 WeakPolarHBondContact CE1-O 3.43Å; D163-R166 PolarHBondContact O-N 3Å; R166-R325 WeakPolarHBondContact O-CB 3.24Å; R166-R325 WeakPolarHBondContact O-CG 3.17Å
167	N	89.1	Confident	80.9	Confident	7 Å²	7	47 Å²	47	4%	0.037	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.2	178.2	-167.7	43.8	0	0	0	110.2	Q85 A86 G87 R325 C326	Q85-N167 PolarHBondContact O-N 2.63Å; A86-N167 CarbonylContact C-O 3.55Å; A86-N167 VanDerWaalsContact CA-O 3.31Å; A86-N167 WeakPolarHBondContact CA-O 3.42Å; G87-N167 PolarHBondContact N-O 2.81Å; N167-R325 PolarHBondContact OD1-N 2.9Å; N167-C326 PolarHBondContact ND2-O 3.15Å; N167-C326 PolarHBondContact ND2-SG 2.49Å; N167-C326 VanDerWaalsContact ND2-SG 3.36Å; N167-C326 PolarHBondContact OD1-N 2.94Å; N167-C326 PolarHBondContact OD1-O 3.24Å
168	V	91.5	Very high	81.1	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134	169.8	174.3	0	0	0	0	109.2	M79 G87 L89 F149 I153 F157 F162 F188 H323 T324	M79-V168 HydrophobicContact SD-CG1 4.1Å; M79-V168 HydrophobicContact SD-CG2 3.74Å; G87-V168 CarbonylContact O-C 3.58Å; G87-V168 VanDerWaalsContact O-CA 3.27Å; G87-V168 WeakPolarHBondContact O-CA 3.41Å; L89-V168 HydrophobicContact CB-CG1 3.84Å; F149-V168 HydrophobicContact CE2-CB 4.47Å; F149-V168 HydrophobicContact CE2-CG1 4.08Å; F149-V168 HydrophobicContact CZ-CB 4.36Å; F149-V168 HydrophobicContact CZ-CG1 4.41Å; I153-V168 HydrophobicContact CD1-CG2 3.69Å; F157-V168 HydrophobicContact CE2-CG2 3.72Å; F157-V168 HydrophobicContact CZ-CG2 4.13Å; F162-V168 HydrophobicContact CE2-CB 4.33Å; F162-V168 HydrophobicContact CE2-CG2 3.98Å; F162-V168 HydrophobicContact CZ-CB 3.81Å; F162-V168 HydrophobicContact CZ-CG2 3.58Å; V168-F188 HydrophobicContact CB-CE1 4.43Å; V168-F188 HydrophobicContact CB-CZ 4.44Å; V168-F188 HydrophobicContact CG1-CE1 3.98Å; V168-F188 HydrophobicContact CG1-CZ 3.81Å; V168-F188 WeakPolarHBondContact O-CE1 3.29Å; V168-H323 WeakPolarHBondContact O-CA 3.45Å; V168-T324 HydrophobicContact CB-CG2 4.18Å; V168-T324 PolarHBondContact N-OG1 3.25Å; V168-T324 PolarHBondContact O-N 2.81Å
169	T	92.2	Very high	81.6	Confident	1 Å²	1	47 Å²	47	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	143.9	178.3	-57.8	0	0	0	0	110.3	G87 Y88 L89 R321 L322 H323 I345	G87-T169 PolarHBondContact O-N 2.8Å; Y88-T169 HydrophobicContact CD2-CG2 4.32Å; Y88-T169 VanDerWaalsContact CD2-O 3.28Å; Y88-T169 WeakPolarHBondContact CD2-O 3.33Å; Y88-T169 HydrophobicContact CE2-CG2 4.47Å; L89-T169 PolarHBondContact N-O 3Å; T169-R321 HydrophobicContact CG2-CG 3.49Å; T169-R321 VanDerWaalsContact CG2-CG 3.49Å; T169-L322 CarbonylContact C-O 2.94Å; T169-L322 WeakPolarHBondContact CA-O 3.49Å; T169-H323 PolarHBondContact OG1-CE1 3.48Å; T169-H323 PolarHBondContact OG1-ND1 2.79Å; T169-I345 HydrophobicContact CG2-CG2 3.65Å
170	Y	92.2	Very high	82.6	Confident	7 Å²	7	47.2 Å²	47.2	3%	0.027	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	129.2	174.5	-174.3	-119.1	0	0	0	110.6	L89 I172 F182 F188 L322	L89-Y170 HydrophobicContact CB-CD2 3.84Å; L89-Y170 HydrophobicContact CB-CG 4.46Å; L89-Y170 HydrophobicContact CD2-CD2 3.96Å; L89-Y170 HydrophobicContact CD2-CE2 4.4Å; L89-Y170 HydrophobicContact CD2-CG 4.27Å; L89-Y170 HydrophobicContact CG-CD2 3.9Å; L89-Y170 HydrophobicContact CG-CE2 4.31Å; L89-Y170 WeakPolarHBondContact O-CD2 3.18Å; Y170-I172 HydrophobicContact CD1-CB 3.87Å; Y170-I172 HydrophobicContact CE1-CB 3.64Å; Y170-I172 HydrophobicContact CE1-CD1 3.9Å; Y170-I172 HydrophobicContact CE1-CG1 3.86Å; Y170-F182 AromaticContact CD1-CD1 3.45Å; Y170-F182 HydrophobicContact CD1-CD1 3.45Å; Y170-F182 VanDerWaalsContact CD1-CD1 3.45Å; Y170-F182 AromaticContact CD1-CE1 3.27Å; Y170-F182 HydrophobicContact CD1-CE1 3.27Å; Y170-F182 HydrophobicContact CD1-CG 4.24Å; Y170-F182 AromaticContact CD1-CZ 3.93Å; Y170-F182 HydrophobicContact CD1-CZ 3.93Å; Y170-F182 HydrophobicContact CD2-CE1 4.26Å; Y170-F182 AromaticContact CE1-CD1 3.73Å; Y170-F182 HydrophobicContact CE1-CD1 3.73Å; Y170-F182 HydrophobicContact CE1-CD2 4.42Å; Y170-F182 AromaticContact CE1-CE1 3.18Å; Y170-F182 HydrophobicContact CE1-CE1 3.18Å; Y170-F182 AromaticContact CE1-CE2 3.96Å; Y170-F182 HydrophobicContact CE1-CE2 3.96Å; Y170-F182 HydrophobicContact CE1-CG 4.32Å; Y170-F182 AromaticContact CE1-CZ 3.31Å; Y170-F182 HydrophobicContact CE1-CZ 3.31Å; Y170-F182 HydrophobicContact CE2-CE1 4.22Å; Y170-F182 HydrophobicContact CE2-CZ 4.46Å; Y170-F182 HydrophobicContact CG-CD1 4.15Å; Y170-F182 AromaticContact CG-CE1 3.84Å; Y170-F182 HydrophobicContact CG-CE1 3.84Å; Y170-F182 AromaticContact CZ-CE1 3.7Å; Y170-F182 AromaticContact CZ-CZ 3.64Å; Y170-F188 VanDerWaalsContact CB-CE1 3.49Å; Y170-L322 PolarHBondContact N-O 2.89Å; Y170-L322 PolarHBondContact O-N 3.13Å
171	D	90.9	Very high	84	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.027	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	116.4	172.9	-67.9	-38.6	0	0	0	109.3	Y88 Y319 R321 I341 G342	Y88-D171 PolarHBondContact OH-N 3.45Å; D171-Y319 HydrophobicContact CB-CD1 4.32Å; D171-R321 VanDerWaalsContact OD1-CB 3.3Å; D171-R321 WeakPolarHBondContact OD1-CB 3.32Å; D171-R321 VanDerWaalsContact OD1-CG 3.32Å; D171-R321 WeakPolarHBondContact OD1-CG 3.32Å; D171-R321 IonicContact OD1-CZ 2.58Å; D171-R321 IonicContact OD1-NE 3.75Å; D171-R321 PolarHBondContact OD1-NE 3.49Å; D171-R321 IonicContact OD1-NH2 2.65Å; D171-R321 PolarHBondContact OD1-NH2 2.93Å; D171-R321 IonicContact OD2-CZ 3.62Å; D171-R321 IonicContact OD2-NE 2.7Å; D171-R321 IonicContact OD2-NH2 3.23Å; D171-R321 PolarHBondContact OD2-NH2 3.2Å; D171-I341 HydrophobicContact CB-CG2 4.1Å; D171-G342 PolarHBondContact OD2-N 3.33Å; D171-G342 VanDerWaalsContact OD2-N 3.15Å
172	I	90.4	Very high	85.5	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	142.8	-177.5	-165.2	170.2	0	0	0	110.9	Y170 D174 S176 R178 I179 F182 Y319 R320 L322	Y170-I172 HydrophobicContact CD1-CB 3.87Å; Y170-I172 HydrophobicContact CE1-CB 3.64Å; Y170-I172 HydrophobicContact CE1-CD1 3.9Å; Y170-I172 HydrophobicContact CE1-CG1 3.86Å; I172-D174 PolarHBondContact O-N 2.92Å; I172-S176 WeakPolarHBondContact CD1-OG 3.34Å; I172-R178 HydrophobicContact CD1-CB 4.07Å; I172-I179 HydrophobicContact CD1-CG1 3.99Å; I172-I179 HydrophobicContact CG2-CD1 4.37Å; I172-I179 HydrophobicContact CG2-CG1 3.87Å; I172-F182 HydrophobicContact CD1-CD2 4.04Å; I172-F182 HydrophobicContact CD1-CE2 4.25Å; I172-Y319 VanDerWaalsContact C-CD1 3.47Å; I172-Y319 CarbonylContact O-C 3.51Å; I172-Y319 VanDerWaalsContact O-CA 3.25Å; I172-Y319 WeakPolarHBondContact O-CA 3.3Å; I172-R320 HydrophobicContact CG2-CB 4.29Å; I172-R320 PolarHBondContact N-O 2.79Å; I172-R320 PolarHBondContact O-N 3.19Å; I172-L322 HydrophobicContact CG2-CD1 3.83Å; I172-L322 HydrophobicContact CG2-CG 3.99Å
173	P	91	Very high	86.7	Confident	7 Å²	7	44.8 Å²	44.8	5%	0.045	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	137.3	172.5	-26.8	35.6	0	0	0	111.8	D175 S176 T317 V318 Y319	P173-D175 WeakPolarHBondContact CB-OD1 3.28Å; P173-D175 PolarHBondContact O-N 2.73Å; P173-S176 WeakPolarHBondContact O-CB 3.44Å; P173-S176 PolarHBondContact O-N 2.85Å; P173-T317 HydrophobicContact CB-CG2 3.99Å; P173-T317 HydrophobicContact CG-CG2 4.24Å; P173-V318 WeakPolarHBondContact CA-O 3.18Å; P173-Y319 HydrophobicContact CG-CD1 4.28Å; P173-Y319 HydrophobicContact CG-CE1 3.81Å
174	D	88.6	Confident	87.8	Confident	48 Å²	48	42.4 Å²	42.4	26%	0.257	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-27.5	-172.8	-163	67.1	0	0	0	112.6	I172 I179 Q195 V318 R320	I172-D174 PolarHBondContact O-N 2.92Å; D174-I179 WeakPolarHBondContact O-CD1 3.23Å; D174-Q195 PolarHBondContact OD1-NE2 2.96Å; D174-Q195 PolarHBondContact OD2-NE2 2.76Å; D174-V318 HydrophobicContact CB-CB 4.28Å; D174-V318 HydrophobicContact CB-CG1 4.04Å; D174-V318 PolarHBondContact N-O 3.03Å; D174-R320 IonicContact OD1-CZ 3.68Å; D174-R320 IonicContact OD1-NE 2.93Å; D174-R320 PolarHBondContact OD1-NE 2.74Å; D174-R320 IonicContact OD1-NH2 3.64Å; D174-R320 PolarHBondContact OD1-NH2 2.85Å; D174-R320 IonicContact OD2-NH2 3.5Å
175	D	89.2	Confident	88.9	Confident	141 Å²	141	38.2 Å²	38.2	75%	0.754	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	6.4	176	67.9	-23.1	0	0	0	113.5	P173 G177	P173-D175 WeakPolarHBondContact CB-OD1 3.28Å; P173-D175 PolarHBondContact O-N 2.73Å; D175-G177 PolarHBondContact O-N 3.4Å
176	S	89.2	Confident	89.6	Confident	21 Å²	21	35.7 Å²	35.7	15%	0.147	19%	0.194	C	C	.	.			trans	-67.7	120.1	-178.7	-179.9	0	0	0	0	111.6	I172 P173 R178 I179	I172-S176 WeakPolarHBondContact CD1-OG 3.34Å; P173-S176 WeakPolarHBondContact O-CB 3.44Å; P173-S176 PolarHBondContact O-N 2.85Å; S176-R178 PolarHBondContact O-N 3.31Å; S176-R178 WeakPolarHBondContact OG-CB 3.2Å; S176-R178 PolarHBondContact OG-N 2.68Å; S176-I179 WeakPolarHBondContact O-CG1 3.43Å; S176-I179 PolarHBondContact O-N 3.48Å
177	G	89.7	Confident	89.7	Confident	75 Å²	75	33.2 Å²	33.2	77%	0.773	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-4.8	169.8	0	0	0	0	0	114.4	D175 P180	D175-G177 PolarHBondContact O-N 3.4Å; G177-P180 WeakPolarHBondContact O-CD 3.41Å
178	R	90.5	Very high	89.8	Confident	52 Å²	52	33 Å²	33	20%	0.196	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-9.7	177.3	-55.8	-174.4	73.6	-155	-0.3	113.6	C92 E145 I172 S176 P180 L181 F182	C92-R178 VanDerWaalsContact O-CZ 3.24Å; C92-R178 PolarHBondContact O-NH1 3.46Å; C92-R178 PolarHBondContact O-NH2 2.9Å; E145-R178 IonicContact OE1-CZ 3.62Å; E145-R178 IonicContact OE1-NH2 3.4Å; E145-R178 PolarHBondContact OE1-NH2 2.78Å; I172-R178 HydrophobicContact CD1-CB 4.07Å; S176-R178 PolarHBondContact O-N 3.31Å; S176-R178 WeakPolarHBondContact OG-CB 3.2Å; S176-R178 PolarHBondContact OG-N 2.68Å; R178-P180 VanDerWaalsContact C-CD 3.46Å; R178-P180 VanDerWaalsContact C-N 3.3Å; R178-L181 WeakPolarHBondContact O-CB 3.35Å; R178-L181 PolarHBondContact O-N 3.19Å; R178-F182 HydrophobicContact CB-CD2 4.16Å; R178-F182 HydrophobicContact CB-CE2 4.16Å; R178-F182 WeakPolarHBondContact O-CD2 3.46Å; R178-F182 PolarHBondContact O-N 3.03Å; R178-F182 VanDerWaalsContact O-N 3.11Å
179	I	90.2	Very high	89.7	Confident	28 Å²	28	35.2 Å²	35.2	14%	0.144	20%	0.195	C	C	.	.	H	α-helix	trans	-51.2	-44.3	178.3	-68.7	169.3	0	0	0	112.4	I172 D174 S176 L181 F182 R183	I172-I179 HydrophobicContact CD1-CG1 3.99Å; I172-I179 HydrophobicContact CG2-CD1 4.37Å; I172-I179 HydrophobicContact CG2-CG1 3.87Å; D174-I179 WeakPolarHBondContact O-CD1 3.23Å; S176-I179 WeakPolarHBondContact O-CG1 3.43Å; S176-I179 PolarHBondContact O-N 3.48Å; I179-L181 PolarHBondContact O-N 2.93Å; I179-F182 PolarHBondContact O-N 2.8Å; I179-R183 WeakPolarHBondContact O-CB 3.28Å; I179-R183 PolarHBondContact O-N 3.31Å
180	P	89	Confident	89.6	Confident	62 Å²	62	38 Å²	38	40%	0.403	21%	0.21	S	C	.	.	H	α-helix	trans	-59.1	-42.9	175.7	-25	35.7	0	0	0	113.2	G177 R178 F182 R183 D184	G177-P180 WeakPolarHBondContact O-CD 3.41Å; R178-P180 VanDerWaalsContact C-CD 3.46Å; R178-P180 VanDerWaalsContact C-N 3.3Å; P180-F182 PolarHBondContact O-N 2.74Å; P180-R183 PolarHBondContact O-N 3.06Å; P180-D184 WeakPolarHBondContact O-CA 3.48Å; P180-D184 WeakPolarHBondContact O-CB 3.39Å; P180-D184 VanDerWaalsContact O-CG 3.3Å; P180-D184 PolarHBondContact O-N 2.98Å
181	L	89.5	Confident	89.5	Confident	38 Å²	38	40.7 Å²	40.7	20%	0.199	23%	0.227	C	C	.	.	H	α-helix	trans	-57.6	-50.1	176.1	171.8	74.2	0	0	0	111.1	E145 R178 I179 R183 Q185 L186	E145-L181 HydrophobicContact CB-CD2 4.4Å; E145-L181 HydrophobicContact CG-CD2 4.28Å; E145-L181 VanDerWaalsContact OE1-CD2 3.27Å; E145-L181 WeakPolarHBondContact OE1-CD2 3.17Å; R178-L181 WeakPolarHBondContact O-CB 3.35Å; R178-L181 PolarHBondContact O-N 3.19Å; I179-L181 PolarHBondContact O-N 2.93Å; L181-R183 VanDerWaalsContact C-N 3.34Å; L181-R183 PolarHBondContact O-N 3.17Å; L181-Q185 HydrophobicContact CD1-CB 3.99Å; L181-Q185 HydrophobicContact CD1-CG 4.05Å; L181-Q185 WeakPolarHBondContact O-CA 3.21Å; L181-Q185 WeakPolarHBondContact O-CB 3.37Å; L181-Q185 PolarHBondContact O-N 2.75Å; L181-L186 HydrophobicContact CD1-CD1 4.19Å; L181-L186 HydrophobicContact CG-CD1 4.11Å; L181-L186 PolarHBondContact O-N 3.06Å
182	F	91.3	Very high	89.3	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.5	-40.9	-177.8	-83	-103	0	0	0	111.9	L89 C92 Y170 I172 R178 I179 P180 L186 G187 F188 L322	L89-F182 HydrophobicContact CD2-CE1 3.77Å; C92-F182 HydrophobicContact CB-CZ 4.36Å; Y170-F182 AromaticContact CD1-CD1 3.45Å; Y170-F182 HydrophobicContact CD1-CD1 3.45Å; Y170-F182 VanDerWaalsContact CD1-CD1 3.45Å; Y170-F182 AromaticContact CD1-CE1 3.27Å; Y170-F182 HydrophobicContact CD1-CE1 3.27Å; Y170-F182 HydrophobicContact CD1-CG 4.24Å; Y170-F182 AromaticContact CD1-CZ 3.93Å; Y170-F182 HydrophobicContact CD1-CZ 3.93Å; Y170-F182 HydrophobicContact CD2-CE1 4.26Å; Y170-F182 AromaticContact CE1-CD1 3.73Å; Y170-F182 HydrophobicContact CE1-CD1 3.73Å; Y170-F182 HydrophobicContact CE1-CD2 4.42Å; Y170-F182 AromaticContact CE1-CE1 3.18Å; Y170-F182 HydrophobicContact CE1-CE1 3.18Å; Y170-F182 AromaticContact CE1-CE2 3.96Å; Y170-F182 HydrophobicContact CE1-CE2 3.96Å; Y170-F182 HydrophobicContact CE1-CG 4.32Å; Y170-F182 AromaticContact CE1-CZ 3.31Å; Y170-F182 HydrophobicContact CE1-CZ 3.31Å; Y170-F182 HydrophobicContact CE2-CE1 4.22Å; Y170-F182 HydrophobicContact CE2-CZ 4.46Å; Y170-F182 HydrophobicContact CG-CD1 4.15Å; Y170-F182 AromaticContact CG-CE1 3.84Å; Y170-F182 HydrophobicContact CG-CE1 3.84Å; Y170-F182 AromaticContact CZ-CE1 3.7Å; Y170-F182 AromaticContact CZ-CZ 3.64Å; I172-F182 HydrophobicContact CD1-CD2 4.04Å; I172-F182 HydrophobicContact CD1-CE2 4.25Å; R178-F182 HydrophobicContact CB-CD2 4.16Å; R178-F182 HydrophobicContact CB-CE2 4.16Å; R178-F182 WeakPolarHBondContact O-CD2 3.46Å; R178-F182 PolarHBondContact O-N 3.03Å; R178-F182 VanDerWaalsContact O-N 3.11Å; I179-F182 PolarHBondContact O-N 2.8Å; P180-F182 PolarHBondContact O-N 2.74Å; F182-L186 HydrophobicContact CD1-CD2 3.99Å; F182-L186 HydrophobicContact CE1-CD2 4Å; F182-L186 HydrophobicContact CG-CD2 4.43Å; F182-L186 HydrophobicContact CZ-CD2 4.45Å; F182-L186 CarbonylContact O-C 3.6Å; F182-L186 WeakPolarHBondContact O-CB 3.5Å; F182-L186 PolarHBondContact O-N 3.19Å; F182-G187 PolarHBondContact O-N 2.74Å; F182-G187 VanDerWaalsContact O-N 3.08Å; F182-F188 HydrophobicContact CB-CB 4.29Å; F182-F188 HydrophobicContact CB-CD2 4.27Å; F182-F188 AromaticContact CD1-CD2 3.83Å; F182-F188 HydrophobicContact CD1-CD2 3.83Å; F182-F188 AromaticContact CD1-CE2 3.95Å; F182-F188 HydrophobicContact CD1-CE2 3.95Å; F182-F188 HydrophobicContact CD1-CG 4.4Å; F182-F188 WeakPolarHBondContact O-CB 3.24Å; F182-F188 PolarHBondContact O-N 3.01Å; F182-L322 HydrophobicContact CB-CD1 3.94Å
183	R	89.5	Confident	89.2	Confident	117 Å²	117	46.2 Å²	46.2	44%	0.442	27%	0.265	S	S	.	.	H	α-helix	trans	-70.5	-51.6	178.3	-175	-168.1	67.7	-160.4	-5.2	112.4	I179 P180 L181 F188	I179-R183 WeakPolarHBondContact O-CB 3.28Å; I179-R183 PolarHBondContact O-N 3.31Å; P180-R183 PolarHBondContact O-N 3.06Å; L181-R183 VanDerWaalsContact C-N 3.34Å; L181-R183 PolarHBondContact O-N 3.17Å; R183-F188 WeakPolarHBondContact CA-O 3.33Å
184	D	85.7	Confident	89.1	Confident	26 Å²	26	49.9 Å²	49.9	14%	0.139	28%	0.278	C	S	.	.	H	α-helix	trans	-88.1	-20.2	-165.5	-64.6	-21.2	0	0	0	113.6	F128 L135 P180	F128-D184 HydrophobicContact CB-CB 3.57Å; F128-D184 HydrophobicContact CG-CB 4.38Å; L135-D184 WeakPolarHBondContact CD2-O 3.49Å; P180-D184 WeakPolarHBondContact O-CA 3.48Å; P180-D184 WeakPolarHBondContact O-CB 3.39Å; P180-D184 VanDerWaalsContact O-CG 3.3Å; P180-D184 PolarHBondContact O-N 2.98Å
185	Q	87	Confident	89.3	Confident	61 Å²	61	50.6 Å²	50.6	29%	0.285	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-33.8	-175.7	-59.3	-67.5	-24.7	0	0	112.9	L181	L181-Q185 HydrophobicContact CD1-CB 3.99Å; L181-Q185 HydrophobicContact CD1-CG 4.05Å; L181-Q185 WeakPolarHBondContact O-CA 3.21Å; L181-Q185 WeakPolarHBondContact O-CB 3.37Å; L181-Q185 PolarHBondContact O-N 2.75Å
186	L	89.7	Confident	89.4	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.244	C	C	.	.	S	Bend	trans	-98.6	-7.9	178.6	-75.1	62.8	0	0	0	112.6	H136 E145 A146 F149 L181 F182 F188	H136-L186 PolarHBondContact CE1-O 3.3Å; E145-L186 HydrophobicContact CB-CD1 4.13Å; E145-L186 HydrophobicContact CB-CD2 4.42Å; A146-L186 HydrophobicContact CB-CD1 4.36Å; F149-L186 HydrophobicContact CB-CD2 4.13Å; F149-L186 HydrophobicContact CB-CG 4.12Å; F149-L186 HydrophobicContact CD1-CB 4.08Å; F149-L186 HydrophobicContact CD1-CG 4.23Å; F149-L186 HydrophobicContact CE1-CB 4.45Å; F149-L186 WeakPolarHBondContact CE1-O 3.46Å; F149-L186 HydrophobicContact CG-CB 4.49Å; F149-L186 HydrophobicContact CG-CD2 4.27Å; F149-L186 HydrophobicContact CG-CG 4.26Å; L181-L186 HydrophobicContact CD1-CD1 4.19Å; L181-L186 HydrophobicContact CG-CD1 4.11Å; L181-L186 PolarHBondContact O-N 3.06Å; F182-L186 HydrophobicContact CD1-CD2 3.99Å; F182-L186 HydrophobicContact CE1-CD2 4Å; F182-L186 HydrophobicContact CG-CD2 4.43Å; F182-L186 HydrophobicContact CZ-CD2 4.45Å; F182-L186 CarbonylContact O-C 3.6Å; F182-L186 WeakPolarHBondContact O-CB 3.5Å; F182-L186 PolarHBondContact O-N 3.19Å; L186-F188 HydrophobicContact CB-CD2 3.77Å; L186-F188 HydrophobicContact CB-CE2 3.95Å; L186-F188 HydrophobicContact CD2-CE2 4.36Å
187	G	88.5	Confident	89.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.239	C	C	.	.			trans	73.2	31.6	175.6	0	0	0	0	0	115.1	F182 I189 T324	F182-G187 PolarHBondContact O-N 2.74Å; F182-G187 VanDerWaalsContact O-N 3.08Å; G187-I189 VanDerWaalsContact C-N 3.33Å; G187-I189 PolarHBondContact O-N 3.3Å; G187-I189 VanDerWaalsContact O-N 3.15Å; G187-T324 VanDerWaalsContact O-CA 3.29Å; G187-T324 WeakPolarHBondContact O-CA 3.37Å
188	F	90.8	Very high	89.4	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.009	21%	0.207	C	C	.	.			trans	-82.6	77.2	167.1	-74.4	-93.2	0	0	0	111	L89 F149 V168 Y170 F182 R183 L186 L322 H323 T324	L89-F188 HydrophobicContact CB-CZ 4.3Å; L89-F188 HydrophobicContact CD2-CE2 4Å; L89-F188 HydrophobicContact CD2-CZ 3.71Å; F149-F188 HydrophobicContact CD2-CE2 4.38Å; F149-F188 HydrophobicContact CE1-CE2 4.14Å; F149-F188 AromaticContact CE2-CE2 3.79Å; F149-F188 HydrophobicContact CE2-CE2 3.79Å; F149-F188 AromaticContact CE2-CZ 3.75Å; F149-F188 HydrophobicContact CE2-CZ 3.75Å; F149-F188 AromaticContact CZ-CE2 3.65Å; F149-F188 HydrophobicContact CZ-CE2 3.65Å; F149-F188 AromaticContact CZ-CZ 3.78Å; F149-F188 HydrophobicContact CZ-CZ 3.78Å; V168-F188 HydrophobicContact CB-CE1 4.43Å; V168-F188 HydrophobicContact CB-CZ 4.44Å; V168-F188 HydrophobicContact CG1-CE1 3.98Å; V168-F188 HydrophobicContact CG1-CZ 3.81Å; V168-F188 WeakPolarHBondContact O-CE1 3.29Å; Y170-F188 VanDerWaalsContact CB-CE1 3.49Å; F182-F188 HydrophobicContact CB-CB 4.29Å; F182-F188 HydrophobicContact CB-CD2 4.27Å; F182-F188 AromaticContact CD1-CD2 3.83Å; F182-F188 HydrophobicContact CD1-CD2 3.83Å; F182-F188 AromaticContact CD1-CE2 3.95Å; F182-F188 HydrophobicContact CD1-CE2 3.95Å; F182-F188 HydrophobicContact CD1-CG 4.4Å; F182-F188 WeakPolarHBondContact O-CB 3.24Å; F182-F188 PolarHBondContact O-N 3.01Å; R183-F188 WeakPolarHBondContact CA-O 3.33Å; L186-F188 HydrophobicContact CB-CD2 3.77Å; L186-F188 HydrophobicContact CB-CE2 3.95Å; L186-F188 HydrophobicContact CD2-CE2 4.36Å; F188-L322 HydrophobicContact CB-CB 3.82Å; F188-L322 HydrophobicContact CB-CD1 4.14Å; F188-L322 HydrophobicContact CD1-CB 3.92Å; F188-L322 HydrophobicContact CG-CB 4.25Å; F188-H323 CarbonylContact C-O 3.47Å; F188-H323 WeakPolarHBondContact CA-O 3.47Å; F188-T324 HydrophobicContact CD1-CG2 3.91Å; F188-T324 HydrophobicContact CD2-CG2 4.21Å; F188-T324 HydrophobicContact CE1-CG2 3.89Å; F188-T324 HydrophobicContact CE2-CG2 4.19Å; F188-T324 HydrophobicContact CG-CG2 4.08Å; F188-T324 HydrophobicContact CZ-CG2 4.04Å
189	I	88.3	Confident	89.2	Confident	47 Å²	47	38.7 Å²	38.7	24%	0.241	20%	0.2	C	C	.	.			trans	-97.8	-12.8	-163.8	67.3	177.1	0	0	0	114.2	F132 L135 G187 H323	F132-I189 HydrophobicContact CB-CD1 4.21Å; F132-I189 HydrophobicContact CD1-CB 3.93Å; F132-I189 HydrophobicContact CD1-CD1 3.42Å; F132-I189 VanDerWaalsContact CD1-CD1 3.42Å; F132-I189 HydrophobicContact CD1-CG1 4.26Å; F132-I189 HydrophobicContact CD1-CG2 3.55Å; F132-I189 HydrophobicContact CE1-CB 3.62Å; F132-I189 HydrophobicContact CE1-CD1 3.9Å; F132-I189 HydrophobicContact CE1-CG1 4.35Å; F132-I189 HydrophobicContact CE1-CG2 3.46Å; F132-I189 VanDerWaalsContact CE1-CG2 3.46Å; F132-I189 HydrophobicContact CG-CD1 3.87Å; L135-I189 HydrophobicContact CD1-CG2 3.87Å; G187-I189 VanDerWaalsContact C-N 3.33Å; G187-I189 PolarHBondContact O-N 3.3Å; G187-I189 VanDerWaalsContact O-N 3.15Å; I189-H323 PolarHBondContact N-O 2.84Å
190	L	90.3	Very high	89.1	Confident	60 Å²	60	39.1 Å²	39.1	31%	0.314	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	148.5	173.6	-61.8	-172	0	0	0	110.4	L322 H323 R325 I327	L190-L322 CarbonylContact O-C 3.6Å; L190-L322 WeakPolarHBondContact O-CA 3.25Å; L190-H323 HydrophobicContact CB-CB 4.15Å; L190-H323 PolarHBondContact N-O 2.85Å; L190-H323 PolarHBondContact O-N 2.89Å; L190-R325 WeakPolarHBondContact CD1-O 3.47Å; L190-I327 HydrophobicContact CB-CG1 4.2Å; L190-I327 HydrophobicContact CD1-CG1 4.35Å
191	T	90.2	Very high	89	Confident	62 Å²	62	36.3 Å²	36.3	38%	0.38	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.5	177.8	-59.7	0	0	0	0	108.2	R320 R321 L322 I327	T191-R320 HydrophobicContact CG2-CG 3.48Å; T191-R320 VanDerWaalsContact CG2-CG 3.48Å; T191-R321 WeakPolarHBondContact CA-O 3.27Å; T191-L322 HydrophobicContact CG2-CD2 4.29Å; T191-L322 WeakPolarHBondContact OG1-CD2 3.32Å; T191-I327 VanDerWaalsContact O-CD1 3.27Å; T191-I327 WeakPolarHBondContact O-CD1 3.48Å
192	D	87.5	Confident	88.8	Confident	13 Å²	13	42.5 Å²	42.5	7%	0.07	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	143.4	173.3	-162.8	-25.7	0	0	0	110.3	R194 R321 I327	D192-R194 PolarHBondContact O-N 2.71Å; D192-R194 PolarHBondContact OD1-N 2.84Å; D192-R194 IonicContact OD1-NH1 3.85Å; D192-R321 HydrophobicContact CB-CB 4.38Å; D192-R321 PolarHBondContact N-O 2.67Å; D192-I327 HydrophobicContact CB-CG2 4.34Å
193	S	87.8	Confident	88.4	Confident	109 Å²	109	42.8 Å²	42.8	76%	0.762	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-55.3	-27.6	164.9	57.8	0	0	0	0	113.4
194	R	89.5	Confident	87.8	Confident	84 Å²	84	45.2 Å²	45.2	32%	0.317	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	131.9	177.8	-67	175.8	-179.4	77	1.4	111.1	D192 F196 I296 W333	D192-R194 PolarHBondContact O-N 2.71Å; D192-R194 PolarHBondContact OD1-N 2.84Å; D192-R194 IonicContact OD1-NH1 3.85Å; R194-F196 HydrophobicContact CB-CE2 4.33Å; R194-F196 HydrophobicContact CB-CZ 4.21Å; R194-I296 HydrophobicContact CB-CG2 4.36Å; R194-I296 HydrophobicContact CG-CG2 4.36Å; R194-W333 VanDerWaalsContact CZ-CG 3.5Å; R194-W333 VanDerWaalsContact NE-CG 3.3Å
195	Q	91.1	Very high	86.9	Confident	64 Å²	64	46.4 Å²	46.4	30%	0.299	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	155.1	161	-68.8	-179.4	-52.7	0	0	109.4	D174 Y297 V318	D174-Q195 PolarHBondContact OD1-NE2 2.96Å; D174-Q195 PolarHBondContact OD2-NE2 2.76Å; Q195-Y297 HydrophobicContact CB-CD1 4.44Å; Q195-Y297 PolarHBondContact O-N 2.92Å; Q195-V318 HydrophobicContact CB-CG1 4.1Å
196	F	91.3	Very high	85.8	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	161.6	178.5	-57.5	-92.1	0	0	0	110.2	R194 F294 S295 I296 V318 Y319 R321 W333	R194-F196 HydrophobicContact CB-CE2 4.33Å; R194-F196 HydrophobicContact CB-CZ 4.21Å; F196-F294 HydrophobicContact CB-CD1 4.49Å; F196-F294 HydrophobicContact CB-CD2 4.26Å; F196-F294 HydrophobicContact CB-CE1 3.67Å; F196-F294 HydrophobicContact CB-CE2 3.4Å; F196-F294 VanDerWaalsContact CB-CE2 3.4Å; F196-F294 HydrophobicContact CB-CZ 3.07Å; F196-F294 HydrophobicContact CD1-CD1 4.4Å; F196-F294 AromaticContact CD1-CE1 3.63Å; F196-F294 HydrophobicContact CD1-CE1 3.63Å; F196-F294 AromaticContact CD1-CZ 3.94Å; F196-F294 HydrophobicContact CD1-CZ 3.94Å; F196-F294 HydrophobicContact CD2-CZ 4.28Å; F196-F294 HydrophobicContact CE1-CE1 4.47Å; F196-F294 AromaticContact CG-CE1 3.73Å; F196-F294 HydrophobicContact CG-CE1 3.73Å; F196-F294 HydrophobicContact CG-CE2 4.33Å; F196-F294 AromaticContact CG-CZ 3.52Å; F196-F294 HydrophobicContact CG-CZ 3.52Å; F196-S295 CarbonylContact C-O 3.45Å; F196-S295 VanDerWaalsContact CA-O 3.23Å; F196-S295 WeakPolarHBondContact CA-O 3.36Å; F196-I296 HydrophobicContact CE1-CG1 4.32Å; F196-V318 CarbonylContact O-C 3.58Å; F196-V318 VanDerWaalsContact O-CA 3.28Å; F196-V318 WeakPolarHBondContact O-CA 3.43Å; F196-V318 WeakPolarHBondContact O-CG1 3.31Å; F196-Y319 PolarHBondContact N-O 2.89Å; F196-Y319 PolarHBondContact O-N 3.12Å; F196-R321 HydrophobicContact CD2-CB 4.09Å; F196-R321 HydrophobicContact CE2-CB 3.62Å; F196-R321 HydrophobicContact CE2-CG 4.48Å; F196-W333 AromaticContact CE1-CH2 3.62Å; F196-W333 HydrophobicContact CE1-CH2 3.62Å; F196-W333 AromaticContact CE1-CZ3 3.77Å; F196-W333 HydrophobicContact CE1-CZ3 3.77Å; F196-W333 AromaticContact CZ-CH2 3.67Å; F196-W333 HydrophobicContact CZ-CH2 3.67Å; F196-W333 HydrophobicContact CZ-CZ2 4.19Å; F196-W333 HydrophobicContact CZ-CZ3 4.25Å
197	I	90.2	Very high	84.6	Confident	8 Å²	8	59.6 Å²	59.6	4%	0.041	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	129.6	177.8	-174.2	173.1	0	0	0	110.1	F199 F294 S295 Y297 H302 T317	I197-F199 HydrophobicContact CB-CD1 4.42Å; I197-F199 HydrophobicContact CD1-CD1 4.32Å; I197-F199 HydrophobicContact CG1-CB 4.47Å; I197-F199 HydrophobicContact CG1-CD1 4.02Å; I197-F199 HydrophobicContact CG2-CD1 3.83Å; I197-F199 HydrophobicContact CG2-CE1 3.93Å; I197-F294 CarbonylContact O-C 3.56Å; I197-F294 VanDerWaalsContact O-CA 3.28Å; I197-F294 WeakPolarHBondContact O-CA 3.48Å; I197-S295 PolarHBondContact N-O 2.93Å; I197-S295 PolarHBondContact O-N 3.2Å; I197-Y297 HydrophobicContact CB-CD2 3.96Å; I197-Y297 HydrophobicContact CD1-CD2 3.93Å; I197-Y297 HydrophobicContact CD1-CE2 4.09Å; I197-Y297 HydrophobicContact CG1-CD2 4.48Å; I197-Y297 HydrophobicContact CG2-CD2 4.09Å; I197-H302 HydrophobicContact CG2-CB 4.01Å; I197-T317 WeakPolarHBondContact CA-O 3.28Å
198	L	89.6	Confident	83.6	Confident	21 Å²	21	65.6 Å²	65.6	11%	0.11	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121.4	167.3	-175.3	70.1	0	0	0	108.3	T292 F294 G316 T317 Y319	L198-T292 HydrophobicContact CD1-CG2 3.83Å; L198-T292 HydrophobicContact CG-CG2 4.33Å; L198-F294 HydrophobicContact CB-CD2 4Å; L198-F294 HydrophobicContact CD1-CB 4.04Å; L198-F294 HydrophobicContact CD1-CD2 4.41Å; L198-G316 CarbonylContact O-C 3.34Å; L198-G316 WeakPolarHBondContact O-CA 3.41Å; L198-T317 PolarHBondContact N-O 2.89Å; L198-T317 PolarHBondContact O-N 2.88Å; L198-Y319 HydrophobicContact CB-CD2 4.28Å; L198-Y319 HydrophobicContact CB-CE2 3.68Å; L198-Y319 HydrophobicContact CD2-CE2 4.45Å
199	F	87.2	Confident	82.7	Confident	9 Å²	9	75 Å²	75	4%	0.039	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	162.2	179	64.7	-85.6	0	0	0	111.3	I197 Q201 T292 L293 M301 H302 L305	I197-F199 HydrophobicContact CB-CD1 4.42Å; I197-F199 HydrophobicContact CD1-CD1 4.32Å; I197-F199 HydrophobicContact CG1-CB 4.47Å; I197-F199 HydrophobicContact CG1-CD1 4.02Å; I197-F199 HydrophobicContact CG2-CD1 3.83Å; I197-F199 HydrophobicContact CG2-CE1 3.93Å; F199-Q201 HydrophobicContact CD2-CB 4.25Å; F199-Q201 HydrophobicContact CE2-CB 4.07Å; F199-T292 CarbonylContact O-C 3.53Å; F199-T292 WeakPolarHBondContact O-CA 3.29Å; F199-L293 HydrophobicContact CD1-CD1 4.24Å; F199-L293 HydrophobicContact CE1-CD1 3.37Å; F199-L293 HydrophobicContact CE1-CG 4.04Å; F199-L293 HydrophobicContact CE2-CD1 4.01Å; F199-L293 HydrophobicContact CE2-CD2 3.96Å; F199-L293 HydrophobicContact CE2-CG 3.88Å; F199-L293 HydrophobicContact CZ-CD1 3.25Å; F199-L293 HydrophobicContact CZ-CD2 3.95Å; F199-L293 HydrophobicContact CZ-CG 3.66Å; F199-L293 PolarHBondContact N-O 3.3Å; F199-L293 PolarHBondContact O-N 2.81Å; F199-M301 HydrophobicContact CZ-CG 4.38Å; F199-H302 HydrophobicContact CE1-CB 4.25Å; F199-L305 HydrophobicContact CE2-CD1 3.3Å; F199-L305 HydrophobicContact CZ-CD1 3.54Å
200	S	87.8	Confident	82.3	Confident	38 Å²	38	75 Å²	75	27%	0.266	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	137.4	172.3	-54.5	0	0	0	0	108.9	I291 T292 S314	S200-I291 CarbonylContact C-O 3.56Å; S200-I291 VanDerWaalsContact CA-O 3.31Å; S200-I291 WeakPolarHBondContact CA-O 3.36Å; S200-T292 PolarHBondContact OG-OG1 2.84Å; S200-S314 PolarHBondContact O-OG 3.03Å
201	Q	86.3	Confident	82.1	Confident	2 Å²	2	80.3 Å²	80.3	1%	0.009	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	133.5	179.4	177.5	56.1	41.3	0	0	110.4	F199 F203 T290 I291 L305	F199-Q201 HydrophobicContact CD2-CB 4.25Å; F199-Q201 HydrophobicContact CE2-CB 4.07Å; Q201-F203 HydrophobicContact CB-CD2 4.34Å; Q201-F203 HydrophobicContact CB-CE2 3.68Å; Q201-F203 HydrophobicContact CB-CZ 3.98Å; Q201-F203 HydrophobicContact CG-CD1 4.5Å; Q201-F203 HydrophobicContact CG-CD2 4.13Å; Q201-F203 HydrophobicContact CG-CE1 4.09Å; Q201-F203 HydrophobicContact CG-CE2 3.68Å; Q201-F203 HydrophobicContact CG-CZ 3.67Å; Q201-F203 WeakPolarHBondContact O-CD2 3.2Å; Q201-T290 CarbonylContact O-C 3.5Å; Q201-T290 WeakPolarHBondContact O-CA 3.34Å; Q201-I291 PolarHBondContact N-O 3.14Å; Q201-I291 PolarHBondContact O-N 2.87Å; Q201-L305 HydrophobicContact CB-CD1 4.26Å; Q201-L305 HydrophobicContact CG-CD1 4.08Å; Q201-L305 HydrophobicContact CG-CD2 4Å
202	R	85.4	Confident	81.8	Confident	168 Å²	168	82.8 Å²	82.8	63%	0.634	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	120.4	170.8	-165.5	174.1	-176	164.2	2.2	110.5	R289	R202-R289 CarbonylContact C-O 3.38Å; R202-R289 WeakPolarHBondContact CA-O 3.42Å; R202-R289 HydrophobicContact CG-CB 4.2Å
203	F	82.7	Confident	81.8	Confident	7 Å²	7	87.9 Å²	87.9	3%	0.031	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-100.4	143.5	176.6	-68.8	-84.3	0	0	0	111.2	Q201 L277 I281 R289 I291 W304 L305	Q201-F203 HydrophobicContact CB-CD2 4.34Å; Q201-F203 HydrophobicContact CB-CE2 3.68Å; Q201-F203 HydrophobicContact CB-CZ 3.98Å; Q201-F203 HydrophobicContact CG-CD1 4.5Å; Q201-F203 HydrophobicContact CG-CD2 4.13Å; Q201-F203 HydrophobicContact CG-CE1 4.09Å; Q201-F203 HydrophobicContact CG-CE2 3.68Å; Q201-F203 HydrophobicContact CG-CZ 3.67Å; Q201-F203 WeakPolarHBondContact O-CD2 3.2Å; F203-L277 HydrophobicContact CE1-CD1 4.49Å; F203-L277 HydrophobicContact CE1-CD2 3.9Å; F203-L277 HydrophobicContact CZ-CD1 4.42Å; F203-L277 HydrophobicContact CZ-CD2 4.39Å; F203-I281 HydrophobicContact CB-CD1 3.6Å; F203-I281 HydrophobicContact CB-CG1 3.86Å; F203-I281 HydrophobicContact CB-CG2 3.96Å; F203-I281 HydrophobicContact CD1-CD1 3.47Å; F203-I281 VanDerWaalsContact CD1-CD1 3.47Å; F203-I281 HydrophobicContact CD1-CG1 4.38Å; F203-I281 HydrophobicContact CD2-CD1 4.34Å; F203-I281 HydrophobicContact CD2-CG1 4.43Å; F203-I281 HydrophobicContact CE1-CD1 4.21Å; F203-I281 HydrophobicContact CG-CD1 3.54Å; F203-I281 HydrophobicContact CG-CG1 3.98Å; F203-R289 PolarHBondContact N-O 3.31Å; F203-R289 WeakPolarHBondContact O-CB 3.39Å; F203-I291 HydrophobicContact CD2-CB 4.09Å; F203-I291 HydrophobicContact CD2-CD1 3.58Å; F203-I291 HydrophobicContact CD2-CG1 3.88Å; F203-I291 HydrophobicContact CE2-CB 3.97Å; F203-I291 HydrophobicContact CE2-CD1 3.91Å; F203-I291 HydrophobicContact CE2-CG1 4.23Å; F203-I291 HydrophobicContact CG-CD1 4.43Å; F203-W304 HydrophobicContact CE1-CZ3 4.26Å; F203-L305 HydrophobicContact CE1-CD2 3.83Å; F203-L305 HydrophobicContact CZ-CD1 4.42Å; F203-L305 HydrophobicContact CZ-CD2 4.08Å
204	K	77.8	Confident	81.7	Confident	167 Å²	167	85.2 Å²	85.2	73%	0.726	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-96.9	130.2	166.5	-69.5	-176.9	-178.4	177.1	0	107.6	Q206	K204-Q206 PolarHBondContact O-N 2.6Å
205	V	65.6	Low	81.5	Confident	52 Å²	52	87.3 Å²	87.3	32%	0.315	41%	0.409	S	S	.	.			trans	-62.6	105.9	171.9	-177.7	0	0	0	0	107.3	I281	V205-I281 HydrophobicContact CG2-CG2 3.94Å
206	Q	65.2	Low	81.1	Confident	148 Å²	148	88.9 Å²	88.9	69%	0.692	42%	0.418	S	S	*	.			trans	-112.4	105.7	160.2	-75.8	-175.1	-9.2	0	0	105.6	K204 Q208 S278	K204-Q206 PolarHBondContact O-N 2.6Å; Q206-Q208 PolarHBondContact O-N 2.77Å; Q206-S278 PolarHBondContact O-OG 2.82Å
207	K	64.3	Low	80.6	Confident	191 Å²	191	92.9 Å²	92.9	83%	0.83	44%	0.439	S	S	*	.			trans	-61.1	109	167.3	-96.7	-174.1	173.2	-176.7	0	106.4
208	Q	67.8	Low	79.8	Confident	126 Å²	126	97.3 Å²	97.3	59%	0.589	46%	0.463	S	S	*	.			trans	-102.7	122.8	170.8	-147.1	170.5	1.9	0	0	105.6	Q206 S210	Q206-Q208 PolarHBondContact O-N 2.77Å; Q208-S210 PolarHBondContact O-N 3.23Å
209	E	71.2	Confident	78.9	Confident	200 Å²	200	100.7 Å²	100.7	94%	0.935	48%	0.477	S	S	*	.			trans	-62.3	133.7	167.7	-75.3	-175.3	164.3	0	0	107.8
210	S	79.9	Confident	78.2	Confident	45 Å²	45	106.9 Å²	106.9	32%	0.315	51%	0.51	S	S	.	.			trans	-126.6	133.8	-177.2	154.3	0	0	0	0	107.7	Q208 W212	Q208-S210 PolarHBondContact O-N 3.23Å; S210-W212 PolarHBondContact O-N 3.34Å; S210-W212 WeakPolarHBondContact OG-CB 3.31Å; S210-W212 PolarHBondContact OG-N 3.04Å
211	D	84.6	Confident	77.4	Confident	173 Å²	173	108.7 Å²	108.7	93%	0.925	52%	0.517	S	S	*	.	S	Bend	trans	-74.3	-4.6	174.2	-61	-36.2	0	0	0	112.6
212	W	85.5	Confident	76.6	Confident	113 Å²	113	114 Å²	114	43%	0.428	54%	0.542	S	S	.	.	S	Bend	trans	-81.7	135.5	177.7	-57.6	104.8	0	0	0	112.5	S210 I214 I272	S210-W212 PolarHBondContact O-N 3.34Å; S210-W212 WeakPolarHBondContact OG-CB 3.31Å; S210-W212 PolarHBondContact OG-N 3.04Å; W212-I214 HydrophobicContact CB-CD1 4.45Å; W212-I214 HydrophobicContact CB-CG1 4.03Å; W212-I214 PolarHBondContact O-N 3.37Å; W212-I272 HydrophobicContact CD2-CG1 4.08Å; W212-I272 HydrophobicContact CE3-CG1 4.43Å; W212-I272 HydrophobicContact CH2-CD1 3.92Å; W212-I272 HydrophobicContact CH2-CG1 3.83Å; W212-I272 HydrophobicContact CZ2-CD1 3.97Å; W212-I272 HydrophobicContact CZ2-CG1 3.41Å; W212-I272 VanDerWaalsContact CZ2-CG1 3.41Å; W212-I272 HydrophobicContact CZ3-CD1 4.43Å; W212-I272 HydrophobicContact CZ3-CG1 4.32Å
213	D	86	Confident	75.9	Confident	121 Å²	121	109.5 Å²	109.5	65%	0.647	54%	0.536	S	S	*	.			trans	-71	90.3	166.7	-179.2	21.2	0	0	0	109.4	R215	D213-R215 IonicContact OD1-NE 3.87Å; D213-R215 IonicContact OD2-CZ 2.85Å; D213-R215 IonicContact OD2-NE 3.31Å; D213-R215 PolarHBondContact OD2-NE 3.03Å; D213-R215 IonicContact OD2-NH2 3.41Å; D213-R215 PolarHBondContact OD2-NH2 3.02Å
214	I	86.1	Confident	75.1	Confident	52 Å²	52	109.7 Å²	109.7	27%	0.267	54%	0.539	S	S	.	.			trans	-95.4	120.8	177.9	-57.7	173.1	0	0	0	109.3	W212 A275 T279	W212-I214 HydrophobicContact CB-CD1 4.45Å; W212-I214 HydrophobicContact CB-CG1 4.03Å; W212-I214 PolarHBondContact O-N 3.37Å; I214-A275 HydrophobicContact CD1-CB 3.79Å; I214-T279 WeakPolarHBondContact CD1-OG1 3.47Å; I214-T279 HydrophobicContact CG2-CG2 3.83Å
215	R	85.7	Confident	74.7	Confident	128 Å²	128	102.5 Å²	102.5	48%	0.483	51%	0.509	S	S	.	.			trans	-109	138	178.3	-58.5	177.1	-172.5	-157.2	-6.9	110	D213 L217	D213-R215 IonicContact OD1-NE 3.87Å; D213-R215 IonicContact OD2-CZ 2.85Å; D213-R215 IonicContact OD2-NE 3.31Å; D213-R215 PolarHBondContact OD2-NE 3.03Å; D213-R215 IonicContact OD2-NH2 3.41Å; D213-R215 PolarHBondContact OD2-NH2 3.02Å; R215-L217 HydrophobicContact CB-CD2 4.14Å; R215-L217 HydrophobicContact CB-CG 4.32Å
216	I	83.2	Confident	74.9	Confident	97 Å²	97	100.2 Å²	100.2	50%	0.497	50%	0.496	S	S	.	.			trans	-100.4	121.7	169.6	-60.7	166	0	0	0	106.5	T279 Q283	I216-T279 HydrophobicContact CD1-CG2 4.14Å; I216-T279 HydrophobicContact CG1-CG2 4.31Å; I216-Q283 HydrophobicContact CD1-CG 3.56Å
217	L	79.6	Confident	75.1	Confident	84 Å²	84	96 Å²	96	44%	0.44	48%	0.476	S	S	.	.			trans	-118.6	144.8	-173.9	-55.6	170.2	0	0	0	108.9	R215 A224	R215-L217 HydrophobicContact CB-CD2 4.14Å; R215-L217 HydrophobicContact CB-CG 4.32Å; L217-A224 HydrophobicContact CB-CB 3.89Å; L217-A224 HydrophobicContact CD1-CB 3.87Å; L217-A224 HydrophobicContact CD2-CB 4.06Å; L217-A224 HydrophobicContact CG-CB 4.12Å
218	D	74.3	Confident	75.9	Confident	101 Å²	101	88 Å²	88	54%	0.54	44%	0.442	S	S	.	.			trans	-75.5	126.9	166.7	-168.8	-25.5	0	0	0	108.1	N220 D221	D218-N220 PolarHBondContact O-N 3.08Å; D218-N220 WeakPolarHBondContact OD1-CB 3.29Å; D218-N220 PolarHBondContact OD1-N 3.05Å; D218-N220 PolarHBondContact OD1-ND2 3.19Å; D218-D221 HydrophobicContact CB-CB 4.49Å; D218-D221 WeakPolarHBondContact O-CB 3.28Å; D218-D221 PolarHBondContact O-N 3.39Å
219	F	71.3	Confident	76.5	Confident	93 Å²	93	82.2 Å²	82.2	41%	0.408	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-15.3	179.5	-161.9	-99.9	0	0	0	112.6	D221 V225 L241 L256	F219-D221 VanDerWaalsContact C-N 3.31Å; F219-V225 HydrophobicContact CD2-CG2 4.09Å; F219-V225 HydrophobicContact CE2-CG2 4.26Å; F219-V225 HydrophobicContact CG-CG2 4.36Å; F219-V225 VanDerWaalsContact O-CG2 3.24Å; F219-V225 WeakPolarHBondContact O-CG2 3.29Å; F219-L241 HydrophobicContact CE2-CD2 4.48Å; F219-L241 HydrophobicContact CZ-CD2 3.98Å; F219-L256 HydrophobicContact CD2-CD1 3.72Å; F219-L256 HydrophobicContact CE2-CD1 4.03Å; F219-L256 HydrophobicContact CG-CD1 4.18Å
220	N	71.6	Confident	77	Confident	139 Å²	139	77 Å²	77	74%	0.743	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-8	172	-55.9	-64.9	0	0	0	113	D218 E222	D218-N220 PolarHBondContact O-N 3.08Å; D218-N220 WeakPolarHBondContact OD1-CB 3.29Å; D218-N220 PolarHBondContact OD1-N 3.05Å; D218-N220 PolarHBondContact OD1-ND2 3.19Å; N220-E222 PolarHBondContact O-N 2.93Å
221	D	71.6	Confident	77.3	Confident	76 Å²	76	75 Å²	75	41%	0.406	38%	0.383	S	S	.	.			trans	-82	99.2	171.9	-174.9	-14.8	0	0	0	109.4	D218 F219 S223 A224 V225	D218-D221 HydrophobicContact CB-CB 4.49Å; D218-D221 WeakPolarHBondContact O-CB 3.28Å; D218-D221 PolarHBondContact O-N 3.39Å; F219-D221 VanDerWaalsContact C-N 3.31Å; D221-S223 PolarHBondContact O-N 3.15Å; D221-S223 WeakPolarHBondContact OD1-CB 3.37Å; D221-S223 PolarHBondContact OD1-N 2.88Å; D221-S223 PolarHBondContact OD1-OG 3.48Å; D221-A224 HydrophobicContact CB-CB 3.97Å; D221-A224 WeakPolarHBondContact O-CB 3.38Å; D221-A224 PolarHBondContact O-N 2.82Å; D221-V225 PolarHBondContact O-N 2.88Å; D221-V225 VanDerWaalsContact O-N 3.08Å
222	E	70.1	Confident	77.3	Confident	112 Å²	112	66.8 Å²	66.8	52%	0.523	34%	0.339	S	S	.	.	H	α-helix	trans	-51.1	-36.8	178.5	-79.9	-168.7	-179	0	0	113.8	N220 A224 S226 L244	N220-E222 PolarHBondContact O-N 2.93Å; E222-A224 VanDerWaalsContact C-N 3.34Å; E222-S226 PolarHBondContact O-N 2.85Å; E222-L244 HydrophobicContact CB-CD1 3.35Å; E222-L244 HydrophobicContact CB-CD2 3.72Å; E222-L244 HydrophobicContact CB-CG 4.11Å; E222-L244 HydrophobicContact CG-CD1 3.48Å; E222-L244 VanDerWaalsContact CG-CD1 3.48Å; E222-L244 HydrophobicContact CG-CD2 4.47Å
223	S	69.6	Low	77.3	Confident	75 Å²	75	64.7 Å²	64.7	52%	0.524	33%	0.334	S	S	.	.	H	α-helix	trans	-69.3	-35.2	-180	73.2	0	0	0	0	112	D221	D221-S223 PolarHBondContact O-N 3.15Å; D221-S223 WeakPolarHBondContact OD1-CB 3.37Å; D221-S223 PolarHBondContact OD1-N 2.88Å; D221-S223 PolarHBondContact OD1-OG 3.48Å
224	A	65.4	Low	77.5	Confident	10 Å²	10	62.3 Å²	62.3	8%	0.083	32%	0.32	C	S	.	.	H	α-helix	trans	-74	-38.1	177.8	0	0	0	0	0	112.6	L217 D221 E222 S226	L217-A224 HydrophobicContact CB-CB 3.89Å; L217-A224 HydrophobicContact CD1-CB 3.87Å; L217-A224 HydrophobicContact CD2-CB 4.06Å; L217-A224 HydrophobicContact CG-CB 4.12Å; D221-A224 HydrophobicContact CB-CB 3.97Å; D221-A224 WeakPolarHBondContact O-CB 3.38Å; D221-A224 PolarHBondContact O-N 2.82Å; E222-A224 VanDerWaalsContact C-N 3.34Å; A224-S226 VanDerWaalsContact C-N 3.28Å; A224-S226 PolarHBondContact O-N 2.85Å
225	V	69.2	Low	77.6	Confident	16 Å²	16	59.9 Å²	59.9	10%	0.097	31%	0.307	C	S	.	.	H	α-helix	trans	-67.5	-31.8	177.8	175.9	0	0	0	0	111.6	F219 D221 E227 L228 G229 L241	F219-V225 HydrophobicContact CD2-CG2 4.09Å; F219-V225 HydrophobicContact CE2-CG2 4.26Å; F219-V225 HydrophobicContact CG-CG2 4.36Å; F219-V225 VanDerWaalsContact O-CG2 3.24Å; F219-V225 WeakPolarHBondContact O-CG2 3.29Å; D221-V225 PolarHBondContact O-N 2.88Å; D221-V225 VanDerWaalsContact O-N 3.08Å; V225-E227 PolarHBondContact O-N 3.44Å; V225-L228 WeakPolarHBondContact O-CB 3.45Å; V225-L228 PolarHBondContact O-N 2.91Å; V225-L228 VanDerWaalsContact O-N 3.11Å; V225-G229 PolarHBondContact O-N 3.13Å; V225-L241 HydrophobicContact CG1-CB 4.31Å
226	S	70.5	Confident	77.5	Confident	5 Å²	5	53.8 Å²	53.8	4%	0.035	28%	0.284	C	S	.	.	H	α-helix	trans	-58.4	-42.4	-178.8	-168.6	0	0	0	0	114.2	E222 A224 L228 G229 L244 H245 A246	E222-S226 PolarHBondContact O-N 2.85Å; A224-S226 VanDerWaalsContact C-N 3.28Å; A224-S226 PolarHBondContact O-N 2.85Å; S226-L228 PolarHBondContact O-N 3.4Å; S226-G229 PolarHBondContact O-N 2.77Å; S226-L244 WeakPolarHBondContact CA-O 3.44Å; S226-L244 WeakPolarHBondContact CB-O 3.24Å; S226-L244 PolarHBondContact OG-O 2.99Å; S226-H245 VanDerWaalsContact OG-CA 3.24Å; S226-H245 WeakPolarHBondContact OG-CA 3.43Å; S226-H245 PolarHBondContact OG-N 3.33Å; S226-A246 PolarHBondContact OG-N 2.68Å; S226-A246 PolarHBondContact OG-O 2.86Å
227	E	70.4	Confident	77.5	Confident	58 Å²	58	50.1 Å²	50.1	27%	0.271	27%	0.27	S	S	.	.	H	α-helix	trans	-65.8	-31.2	178.6	-61.3	-165.5	156.4	0	0	111.8	V225 A246 V251	V225-E227 PolarHBondContact O-N 3.44Å; E227-A246 WeakPolarHBondContact CG-O 3.46Å; E227-V251 HydrophobicContact CB-CG2 4.29Å
228	L	79.8	Confident	77.4	Confident	25 Å²	25	48.8 Å²	48.8	13%	0.131	26%	0.262	C	S	.	.	H	α-helix	trans	-73	-31.7	178.2	-58.3	178.9	0	0	0	112.1	V225 S226 T230 F231 D232 L241 V251 Y254	V225-L228 WeakPolarHBondContact O-CB 3.45Å; V225-L228 PolarHBondContact O-N 2.91Å; V225-L228 VanDerWaalsContact O-N 3.11Å; S226-L228 PolarHBondContact O-N 3.4Å; L228-T230 VanDerWaalsContact C-N 3.28Å; L228-T230 PolarHBondContact O-N 3.42Å; L228-F231 PolarHBondContact O-N 2.94Å; L228-F231 VanDerWaalsContact O-N 3.15Å; L228-D232 VanDerWaalsContact O-CB 3.29Å; L228-D232 WeakPolarHBondContact O-CB 3.46Å; L228-D232 PolarHBondContact O-N 2.82Å; L228-L241 HydrophobicContact CB-CD1 4.13Å; L228-V251 HydrophobicContact CD2-CG1 4.07Å; L228-V251 HydrophobicContact CD2-CG2 4.47Å; L228-Y254 HydrophobicContact CD2-CG 4.28Å
229	G	80	Confident	77.3	Confident	3 Å²	3	45.4 Å²	45.4	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-56.2	-39	-175.1	0	0	0	0	0	113.7	V225 S226 D232 Q233	V225-G229 PolarHBondContact O-N 3.13Å; S226-G229 PolarHBondContact O-N 2.77Å; G229-D232 PolarHBondContact O-N 2.92Å; G229-Q233 VanDerWaalsContact O-CB 3.29Å; G229-Q233 WeakPolarHBondContact O-CB 2.9Å; G229-Q233 PolarHBondContact O-N 2.76Å
230	T	81.9	Confident	77.3	Confident	91 Å²	91	43.1 Å²	43.1	56%	0.558	23%	0.232	S	C	*	.	H	α-helix	trans	-67.3	-45	178.6	-58.4	0	0	0	0	111.9	L228 Q233 E234	L228-T230 VanDerWaalsContact C-N 3.28Å; L228-T230 PolarHBondContact O-N 3.42Å; T230-Q233 PolarHBondContact O-N 2.98Å; T230-E234 PolarHBondContact O-N 3.48Å
231	F	86.9	Confident	77.2	Confident	3 Å²	3	37.5 Å²	37.5	1%	0.013	20%	0.203	C	C	.	.	H	α-helix	trans	-72.4	-34.5	178.9	177.2	-102.6	0	0	0	111.7	L228 E234 V235 V251 G253 Y254 K268 Y335	L228-F231 PolarHBondContact O-N 2.94Å; L228-F231 VanDerWaalsContact O-N 3.15Å; F231-E234 WeakPolarHBondContact O-CB 3.47Å; F231-E234 PolarHBondContact O-N 2.68Å; F231-V235 HydrophobicContact CD1-CG2 4.3Å; F231-V235 HydrophobicContact CE1-CG2 3.81Å; F231-V235 HydrophobicContact CE2-CG2 4.12Å; F231-V235 HydrophobicContact CZ-CG2 3.71Å; F231-V235 WeakPolarHBondContact O-CG2 3.37Å; F231-V235 PolarHBondContact O-N 2.82Å; F231-V251 HydrophobicContact CB-CB 3.88Å; F231-V251 HydrophobicContact CB-CG1 3.89Å; F231-V251 HydrophobicContact CD1-CG1 4Å; F231-V251 VanDerWaalsContact CD2-O 3.31Å; F231-V251 WeakPolarHBondContact CD2-O 3.03Å; F231-V251 HydrophobicContact CG-CB 4.32Å; F231-V251 HydrophobicContact CG-CG1 3.97Å; F231-G253 VanDerWaalsContact CE1-CA 3.46Å; F231-Y254 AromaticContact CD1-CD1 3.83Å; F231-Y254 HydrophobicContact CD1-CD1 3.83Å; F231-Y254 HydrophobicContact CD1-CE1 4.36Å; F231-Y254 HydrophobicContact CE1-CD1 4.06Å; F231-K268 HydrophobicContact CE2-CD 4.21Å; F231-K268 HydrophobicContact CE2-CG 3.75Å; F231-K268 HydrophobicContact CZ-CG 4.27Å; F231-Y335 HydrophobicContact CE2-CD2 4.29Å; F231-Y335 HydrophobicContact CZ-CD2 4.45Å
232	D	85.7	Confident	76.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-43.4	173.7	-174.2	63	0	0	0	112	L228 G229 E234 V235 V236 R240 L241 Y254 Y266	L228-D232 VanDerWaalsContact O-CB 3.29Å; L228-D232 WeakPolarHBondContact O-CB 3.46Å; L228-D232 PolarHBondContact O-N 2.82Å; G229-D232 PolarHBondContact O-N 2.92Å; D232-E234 VanDerWaalsContact C-N 3.32Å; D232-E234 PolarHBondContact O-N 3.46Å; D232-V235 PolarHBondContact O-N 3.24Å; D232-V235 VanDerWaalsContact O-N 3.12Å; D232-V236 WeakPolarHBondContact O-CB 3.36Å; D232-V236 WeakPolarHBondContact O-CG2 3.44Å; D232-V236 PolarHBondContact O-N 2.78Å; D232-R240 VanDerWaalsContact CG-NE 3.3Å; D232-R240 IonicContact OD1-CZ 3.5Å; D232-R240 VanDerWaalsContact OD1-CZ 3.23Å; D232-R240 IonicContact OD1-NE 2.84Å; D232-R240 PolarHBondContact OD1-NE 2.74Å; D232-R240 VanDerWaalsContact OD1-NE 3.13Å; D232-R240 IonicContact OD1-NH2 2.94Å; D232-R240 PolarHBondContact OD1-NH2 2.99Å; D232-R240 WeakPolarHBondContact OD2-CD 3.48Å; D232-R240 WeakPolarHBondContact OD2-CG 3.41Å; D232-R240 IonicContact OD2-CZ 3.14Å; D232-R240 IonicContact OD2-NE 2.74Å; D232-R240 PolarHBondContact OD2-NE 3.22Å; D232-R240 IonicContact OD2-NH2 2.78Å; D232-L241 HydrophobicContact CB-CD1 3.58Å; D232-L241 HydrophobicContact CB-CG 4.27Å; D232-L241 WeakPolarHBondContact OD2-CG 3.34Å; D232-Y254 HydrophobicContact CB-CE1 4.15Å; D232-Y254 PolarHBondContact OD1-OH 2.87Å; D232-Y266 WeakPolarHBondContact OD1-CE2 3.49Å
233	Q	85.2	Confident	75.2	Confident	69 Å²	69	43.1 Å²	43.1	32%	0.322	22%	0.221	S	C	.	.	H	α-helix	trans	-61.1	-39.3	171	-175.9	178	13.6	0	0	111.7	G229 T230 V235 G237 E238 D239	G229-Q233 VanDerWaalsContact O-CB 3.29Å; G229-Q233 WeakPolarHBondContact O-CB 2.9Å; G229-Q233 PolarHBondContact O-N 2.76Å; T230-Q233 PolarHBondContact O-N 2.98Å; Q233-V235 VanDerWaalsContact C-N 3.28Å; Q233-V235 PolarHBondContact O-N 3.26Å; Q233-G237 VanDerWaalsContact O-CA 3.3Å; Q233-G237 WeakPolarHBondContact O-CA 3.47Å; Q233-G237 PolarHBondContact O-N 3.33Å; Q233-E238 WeakPolarHBondContact CA-O 3.31Å; Q233-D239 HydrophobicContact CB-CB 4.4Å; Q233-D239 HydrophobicContact CG-CB 4.32Å
234	E	89.1	Confident	73.6	Confident	72 Å²	72	42 Å²	42	34%	0.336	21%	0.209	S	C	.	.	H	α-helix	trans	-58.6	-40.4	173	-177.5	-173	167	0	0	111.4	T230 F231 D232 K268 R332 Y335	T230-E234 PolarHBondContact O-N 3.48Å; F231-E234 WeakPolarHBondContact O-CB 3.47Å; F231-E234 PolarHBondContact O-N 2.68Å; D232-E234 VanDerWaalsContact C-N 3.32Å; D232-E234 PolarHBondContact O-N 3.46Å; E234-K268 WeakPolarHBondContact OE1-CE 3.38Å; E234-K268 IonicContact OE1-NZ 2.68Å; E234-K268 PolarHBondContact OE1-NZ 3.21Å; E234-K268 WeakPolarHBondContact OE2-CE 3.46Å; E234-K268 IonicContact OE2-NZ 3.39Å; E234-K268 PolarHBondContact OE2-NZ 3.4Å; E234-R332 VanDerWaalsContact O-CG 3.26Å; E234-R332 WeakPolarHBondContact O-CG 3.25Å; E234-Y335 WeakPolarHBondContact OE1-CE2 3.19Å
235	V	89.1	Confident	72.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-76.9	-41.1	-178.3	176.7	0	0	0	0	112.2	F231 D232 Q233 Y266 I331 R332 Y335 V336	F231-V235 HydrophobicContact CD1-CG2 4.3Å; F231-V235 HydrophobicContact CE1-CG2 3.81Å; F231-V235 HydrophobicContact CE2-CG2 4.12Å; F231-V235 HydrophobicContact CZ-CG2 3.71Å; F231-V235 WeakPolarHBondContact O-CG2 3.37Å; F231-V235 PolarHBondContact O-N 2.82Å; D232-V235 PolarHBondContact O-N 3.24Å; D232-V235 VanDerWaalsContact O-N 3.12Å; Q233-V235 VanDerWaalsContact C-N 3.28Å; Q233-V235 PolarHBondContact O-N 3.26Å; V235-Y266 HydrophobicContact CB-CD2 3.81Å; V235-Y266 HydrophobicContact CB-CE2 4.06Å; V235-Y266 HydrophobicContact CB-CG 4.49Å; V235-Y266 HydrophobicContact CG1-CD1 4.32Å; V235-Y266 HydrophobicContact CG1-CD2 3.53Å; V235-Y266 HydrophobicContact CG1-CE1 4.45Å; V235-Y266 HydrophobicContact CG1-CE2 3.64Å; V235-Y266 HydrophobicContact CG1-CG 3.89Å; V235-Y266 HydrophobicContact CG2-CD2 3.87Å; V235-Y266 HydrophobicContact CG2-CG 4.3Å; V235-I331 CarbonylContact O-C 3.55Å; V235-I331 WeakPolarHBondContact O-CA 3.12Å; V235-R332 PolarHBondContact O-N 3.08Å; V235-Y335 HydrophobicContact CG2-CD2 4.05Å; V235-V336 HydrophobicContact CG1-CG2 3.76Å
236	V	83.7	Confident	70.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-104.1	-20.2	-165.3	-179.8	0	0	0	0	112.4	D232 E238 R240 Y266 A346	D232-V236 WeakPolarHBondContact O-CB 3.36Å; D232-V236 WeakPolarHBondContact O-CG2 3.44Å; D232-V236 PolarHBondContact O-N 2.78Å; V236-E238 VanDerWaalsContact C-N 3.31Å; V236-R240 VanDerWaalsContact CG2-CZ 3.45Å; V236-Y266 HydrophobicContact CG2-CE2 3.88Å; V236-A346 HydrophobicContact CG1-CB 3.86Å
237	G	82.4	Confident	69.4	Low	21 Å²	21	52.3 Å²	52.3	22%	0.216	28%	0.276	C	S	.	.	S	Bend	trans	91.7	-19.9	-177.5	0	0	0	0	0	114.1	Q233 Q330	Q233-G237 VanDerWaalsContact O-CA 3.3Å; Q233-G237 WeakPolarHBondContact O-CA 3.47Å; Q233-G237 PolarHBondContact O-N 3.33Å; G237-Q330 PolarHBondContact O-OE1 2.92Å
238	E	77.3	Confident	68.4	Low	55 Å²	55	55.7 Å²	55.7	26%	0.257	31%	0.307	S	S	.	.	S	Bend	trans	-122.7	148	179.2	-81.3	-173.1	177.7	0	0	112.8	N83 Q233 V236 R240 A346	N83-E238 PolarHBondContact ND2-OE1 3.21Å; N83-E238 PolarHBondContact ND2-OE2 2.7Å; Q233-E238 WeakPolarHBondContact CA-O 3.31Å; V236-E238 VanDerWaalsContact C-N 3.31Å; E238-R240 VanDerWaalsContact C-N 3.32Å; E238-R240 PolarHBondContact O-N 3.07Å; E238-A346 HydrophobicContact CB-CB 3.67Å; E238-A346 VanDerWaalsContact CD-CB 3.48Å; E238-A346 HydrophobicContact CG-CB 3.62Å; E238-A346 WeakPolarHBondContact OE2-CB 3.5Å
239	D	73.4	Confident	67.5	Low	31 Å²	31	60.5 Å²	60.5	17%	0.166	33%	0.326	C	S	.	.			trans	-83.8	81.4	173.7	-158.8	-31.1	0	0	0	110.3	Q233 R242 H245	Q233-D239 HydrophobicContact CB-CB 4.4Å; Q233-D239 HydrophobicContact CG-CB 4.32Å; D239-R242 HydrophobicContact CB-CB 4.1Å; D239-R242 HydrophobicContact CB-CG 4.07Å; D239-R242 VanDerWaalsContact CG-CD 3.44Å; D239-R242 WeakPolarHBondContact OD1-CA 3.21Å; D239-R242 WeakPolarHBondContact OD1-CB 3.4Å; D239-R242 WeakPolarHBondContact OD1-CG 3.39Å; D239-R242 PolarHBondContact OD1-N 3.02Å; D239-R242 VanDerWaalsContact OD2-CD 3.32Å; D239-R242 WeakPolarHBondContact OD2-CD 3.08Å; D239-R242 VanDerWaalsContact OD2-CG 3.29Å; D239-R242 WeakPolarHBondContact OD2-CG 3.18Å; D239-R242 IonicContact OD2-CZ 3.68Å; D239-R242 IonicContact OD2-NE 3.12Å; D239-R242 PolarHBondContact OD2-NE 2.85Å; D239-R242 IonicContact OD2-NH2 2.89Å; D239-R242 PolarHBondContact OD2-NH2 2.67Å; D239-H245 IonicContact OD2-CE1 3.95Å
240	R	70.8	Confident	67.5	Low	44 Å²	44	65.1 Å²	65.1	17%	0.166	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-12.5	179.5	61.4	-179.5	-174.7	172.9	14.3	113.6	D232 V236 E238 Y254 Y266 W343	D232-R240 VanDerWaalsContact CG-NE 3.3Å; D232-R240 IonicContact OD1-CZ 3.5Å; D232-R240 VanDerWaalsContact OD1-CZ 3.23Å; D232-R240 IonicContact OD1-NE 2.84Å; D232-R240 PolarHBondContact OD1-NE 2.74Å; D232-R240 VanDerWaalsContact OD1-NE 3.13Å; D232-R240 IonicContact OD1-NH2 2.94Å; D232-R240 PolarHBondContact OD1-NH2 2.99Å; D232-R240 WeakPolarHBondContact OD2-CD 3.48Å; D232-R240 WeakPolarHBondContact OD2-CG 3.41Å; D232-R240 IonicContact OD2-CZ 3.14Å; D232-R240 IonicContact OD2-NE 2.74Å; D232-R240 PolarHBondContact OD2-NE 3.22Å; D232-R240 IonicContact OD2-NH2 2.78Å; V236-R240 VanDerWaalsContact CG2-CZ 3.45Å; E238-R240 VanDerWaalsContact C-N 3.32Å; E238-R240 PolarHBondContact O-N 3.07Å; R240-Y254 PolarHBondContact NH2-OH 3.38Å; R240-Y266 PolarHBondContact NH1-OH 3Å; R240-Y266 VanDerWaalsContact NH2-CE2 3.27Å; R240-Y266 PolarHBondContact NH2-OH 3.33Å; R240-W343 PolarHBondContact NH1-O 3.35Å; R240-W343 VanDerWaalsContact NH2-CD1 3.26Å
241	L	69.6	Low	67.8	Low	22 Å²	22	62.1 Å²	62.1	12%	0.115	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	7	174.9	-62	178.8	0	0	0	112.1	F219 V225 L228 D232 Q243	F219-L241 HydrophobicContact CE2-CD2 4.48Å; F219-L241 HydrophobicContact CZ-CD2 3.98Å; V225-L241 HydrophobicContact CG1-CB 4.31Å; L228-L241 HydrophobicContact CB-CD1 4.13Å; D232-L241 HydrophobicContact CB-CD1 3.58Å; D232-L241 HydrophobicContact CB-CG 4.27Å; D232-L241 WeakPolarHBondContact OD2-CG 3.34Å; L241-Q243 PolarHBondContact O-N 3.29Å
242	R	56.5	Low	68	Low	135 Å²	135	64.5 Å²	64.5	51%	0.509	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	95.1	-177.2	-126.9	176.1	-136.8	171	18.9	113.1	D239 H245	D239-R242 HydrophobicContact CB-CB 4.1Å; D239-R242 HydrophobicContact CB-CG 4.07Å; D239-R242 VanDerWaalsContact CG-CD 3.44Å; D239-R242 WeakPolarHBondContact OD1-CA 3.21Å; D239-R242 WeakPolarHBondContact OD1-CB 3.4Å; D239-R242 WeakPolarHBondContact OD1-CG 3.39Å; D239-R242 PolarHBondContact OD1-N 3.02Å; D239-R242 VanDerWaalsContact OD2-CD 3.32Å; D239-R242 WeakPolarHBondContact OD2-CD 3.08Å; D239-R242 VanDerWaalsContact OD2-CG 3.29Å; D239-R242 WeakPolarHBondContact OD2-CG 3.18Å; D239-R242 IonicContact OD2-CZ 3.68Å; D239-R242 IonicContact OD2-NE 3.12Å; D239-R242 PolarHBondContact OD2-NE 2.85Å; D239-R242 IonicContact OD2-NH2 2.89Å; D239-R242 PolarHBondContact OD2-NH2 2.67Å; R242-H245 PolarHBondContact NE-CE1 3.32Å; R242-H245 PolarHBondContact NE-NE2 3.17Å
243	Q	43.1	Very low	68.3	Low	171 Å²	171	65.2 Å²	65.2	80%	0.799	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn		-125	-9.8	130	-88.3	-169	-0.4	0	0	113.5	L241	L241-Q243 PolarHBondContact O-N 3.29Å
244	L	35.8	Very low	68.6	Low	52 Å²	52	62.7 Å²	62.7	27%	0.272	35%	0.348	S	S	.	.			trans	-134.5	132.4	-175.1	-66.4	110.9	0	0	0	113.6	E222 S226	E222-L244 HydrophobicContact CB-CD1 3.35Å; E222-L244 HydrophobicContact CB-CD2 3.72Å; E222-L244 HydrophobicContact CB-CG 4.11Å; E222-L244 HydrophobicContact CG-CD1 3.48Å; E222-L244 VanDerWaalsContact CG-CD1 3.48Å; E222-L244 HydrophobicContact CG-CD2 4.47Å; S226-L244 WeakPolarHBondContact CA-O 3.44Å; S226-L244 WeakPolarHBondContact CB-O 3.24Å; S226-L244 PolarHBondContact OG-O 2.99Å
245	H	34.7	Very low	68.6	Low	133 Å²	133	61 Å²	61	62%	0.616	34%	0.342	S	S	*	.			trans	-113.6	106.9	168.8	-74.1	-42.4	0	0	0	109.9	S226 D239 R242	S226-H245 VanDerWaalsContact OG-CA 3.24Å; S226-H245 WeakPolarHBondContact OG-CA 3.43Å; S226-H245 PolarHBondContact OG-N 3.33Å; D239-H245 IonicContact OD2-CE1 3.95Å; R242-H245 PolarHBondContact NE-CE1 3.32Å; R242-H245 PolarHBondContact NE-NE2 3.17Å
246	A	35.7	Very low	68.4	Low	68 Å²	68	62 Å²	62	56%	0.562	35%	0.347	S	S	*	.			trans	-173.6	115.7	167.8	0	0	0	0	0	110.5	S226 E227	S226-A246 PolarHBondContact OG-N 2.68Å; S226-A246 PolarHBondContact OG-O 2.86Å; E227-A246 WeakPolarHBondContact CG-O 3.46Å
247	G	46.1	Very low	68.4	Low	45 Å²	45	64.8 Å²	64.8	46%	0.464	36%	0.359	S	S	.	.			trans	146.1	120.5	154.7	0	0	0	0	0	113.9	K249	G247-K249 VanDerWaalsContact C-N 3.32Å; G247-K249 PolarHBondContact O-N 3.41Å
248	S	50.4	Low	68.3	Low	129 Å²	129	65.9 Å²	65.9	90%	0.902	36%	0.362	S	S	*	.			trans	-89	21	-170.1	64.5	0	0	0	0	114.5
249	K	61.1	Low	68.5	Low	126 Å²	126	70.7 Å²	70.7	55%	0.548	38%	0.378	S	S	.	.	S	Bend	trans	-101.2	130.6	179.5	-73.7	-173.4	176.3	-175.3	0	110.3	G247 V251	G247-K249 VanDerWaalsContact C-N 3.32Å; G247-K249 PolarHBondContact O-N 3.41Å; K249-V251 PolarHBondContact O-N 2.84Å
250	S	79.8	Confident	68.9	Low	100 Å²	100	73.3 Å²	73.3	70%	0.699	39%	0.392	S	S	*	.			trans	-69.1	99.1	179	60.1	0	0	0	0	110.3
251	V	87.4	Confident	69.5	Low	28 Å²	28	71.8 Å²	71.8	17%	0.17	39%	0.386	C	S	.	.			trans	-67.3	128	168.3	176.6	0	0	0	0	108.4	E227 L228 F231 K249 G253	E227-V251 HydrophobicContact CB-CG2 4.29Å; L228-V251 HydrophobicContact CD2-CG1 4.07Å; L228-V251 HydrophobicContact CD2-CG2 4.47Å; F231-V251 HydrophobicContact CB-CB 3.88Å; F231-V251 HydrophobicContact CB-CG1 3.89Å; F231-V251 HydrophobicContact CD1-CG1 4Å; F231-V251 VanDerWaalsContact CD2-O 3.31Å; F231-V251 WeakPolarHBondContact CD2-O 3.03Å; F231-V251 HydrophobicContact CG-CB 4.32Å; F231-V251 HydrophobicContact CG-CG1 3.97Å; K249-V251 PolarHBondContact O-N 2.84Å; V251-G253 WeakPolarHBondContact CG1-O 2.96Å
252	N	91.4	Very high	70.3	Confident	53 Å²	53	70.8 Å²	70.8	28%	0.283	38%	0.381	S	S	.	.			trans	-105.3	-2.1	-179.6	-68.9	-36.4	0	0	0	113.3	K268 I272	N252-K268 PolarHBondContact O-N 3.2Å; N252-I272 HydrophobicContact CB-CD1 3.85Å
253	G	92.4	Very high	71.6	Confident	15 Å²	15	65.4 Å²	65.4	16%	0.155	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.4	157.3	-176.3	0	0	0	0	0	111.3	F231 V251 Y266	F231-G253 VanDerWaalsContact CE1-CA 3.46Å; V251-G253 WeakPolarHBondContact CG1-O 2.96Å; G253-Y266 CarbonylContact C-O 3.41Å; G253-Y266 WeakPolarHBondContact CA-O 3.4Å
254	Y	90.8	Very high	73.7	Confident	17 Å²	17	57.3 Å²	57.3	7%	0.067	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	160.1	168.4	81.5	-86.4	0	0	0	111.4	L228 F231 D232 R240 L256 C264 L265 Y266	L228-Y254 HydrophobicContact CD2-CG 4.28Å; F231-Y254 AromaticContact CD1-CD1 3.83Å; F231-Y254 HydrophobicContact CD1-CD1 3.83Å; F231-Y254 HydrophobicContact CD1-CE1 4.36Å; F231-Y254 HydrophobicContact CE1-CD1 4.06Å; D232-Y254 HydrophobicContact CB-CE1 4.15Å; D232-Y254 PolarHBondContact OD1-OH 2.87Å; R240-Y254 PolarHBondContact NH2-OH 3.38Å; Y254-L256 HydrophobicContact CE2-CB 4.32Å; Y254-C264 WeakPolarHBondContact CE2-SG 3.3Å; Y254-C264 PolarHBondContact OH-SG 3.43Å; Y254-L265 WeakPolarHBondContact O-CA 3.41Å; Y254-Y266 HydrophobicContact CD1-CD2 4.14Å; Y254-Y266 AromaticContact CE1-CD2 3.27Å; Y254-Y266 HydrophobicContact CE1-CD2 3.27Å; Y254-Y266 AromaticContact CE1-CE2 3.85Å; Y254-Y266 HydrophobicContact CE1-CE2 3.85Å; Y254-Y266 HydrophobicContact CE1-CG 4.05Å; Y254-Y266 AromaticContact CZ-CD2 3.67Å; Y254-Y266 AromaticContact CZ-CE2 3.85Å; Y254-Y266 PolarHBondContact N-O 3.41Å; Y254-Y266 PolarHBondContact O-N 2.94Å; Y254-Y266 VanDerWaalsContact OH-CE2 3.22Å; Y254-Y266 WeakPolarHBondContact OH-CE2 3.42Å
255	V	89.8	Confident	76.3	Confident	35 Å²	35	54.8 Å²	54.8	21%	0.212	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.3	175.6	61.9	0	0	0	0	109.4	F257 I262 C264 L265 T280	V255-F257 HydrophobicContact CG1-CD1 4.15Å; V255-F257 HydrophobicContact CG1-CE1 4.36Å; V255-F257 HydrophobicContact CG2-CD1 4.22Å; V255-I262 HydrophobicContact CG2-CG2 4.3Å; V255-C264 CarbonylContact C-O 3.52Å; V255-C264 WeakPolarHBondContact CA-O 3.4Å; V255-L265 HydrophobicContact CB-CD1 3.68Å; V255-L265 HydrophobicContact CG2-CB 4.31Å; V255-L265 HydrophobicContact CG2-CD1 3.87Å; V255-T280 VanDerWaalsContact CG1-OG1 3.31Å; V255-T280 WeakPolarHBondContact CG1-OG1 3.48Å; V255-T280 HydrophobicContact CG2-CG2 4.44Å
256	L	84.9	Confident	79.1	Confident	22 Å²	22	48.5 Å²	48.5	12%	0.115	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121.3	168.9	-174.9	65.1	0	0	0	108	F219 Y254 M263 C264	F219-L256 HydrophobicContact CD2-CD1 3.72Å; F219-L256 HydrophobicContact CE2-CD1 4.03Å; F219-L256 HydrophobicContact CG-CD1 4.18Å; Y254-L256 HydrophobicContact CE2-CB 4.32Å; L256-M263 HydrophobicContact CB-CB 4.36Å; L256-M263 HydrophobicContact CD2-CB 4.23Å; L256-M263 HydrophobicContact CD2-SD 3.99Å; L256-M263 HydrophobicContact CG-CB 4.26Å; L256-M263 HydrophobicContact CG-SD 4.4Å; L256-M263 WeakPolarHBondContact O-CB 3.49Å; L256-M263 PolarHBondContact O-N 3.43Å; L256-C264 WeakPolarHBondContact CB-SG 3.24Å; L256-C264 PolarHBondContact N-O 2.79Å; L256-C264 PolarHBondContact O-N 3.36Å
257	F	82.6	Confident	82	Confident	58 Å²	58	45.2 Å²	45.2	25%	0.254	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	159.7	-177.2	67.3	-79.1	0	0	0	112.2	V255 K261 I262 T280 Q283 L284	V255-F257 HydrophobicContact CG1-CD1 4.15Å; V255-F257 HydrophobicContact CG1-CE1 4.36Å; V255-F257 HydrophobicContact CG2-CD1 4.22Å; F257-K261 CarbonylContact C-O 3.59Å; F257-K261 WeakPolarHBondContact CA-O 3.34Å; F257-K261 WeakPolarHBondContact CB-O 3.2Å; F257-I262 HydrophobicContact CB-CG1 4.24Å; F257-T280 HydrophobicContact CB-CG2 4.03Å; F257-T280 HydrophobicContact CD1-CG2 3.73Å; F257-T280 HydrophobicContact CD2-CG2 3.69Å; F257-T280 HydrophobicContact CE1-CG2 4.05Å; F257-T280 HydrophobicContact CE2-CG2 4.02Å; F257-T280 HydrophobicContact CG-CG2 3.55Å; F257-T280 HydrophobicContact CZ-CG2 4.19Å; F257-Q283 HydrophobicContact CE2-CB 4.22Å; F257-Q283 HydrophobicContact CZ-CB 4.21Å; F257-Q283 HydrophobicContact CZ-CG 4.38Å; F257-L284 HydrophobicContact CD2-CD2 4.16Å; F257-L284 HydrophobicContact CE2-CD2 4.23Å
258	T	81.7	Confident	84.3	Confident	44 Å²	44	46.5 Å²	46.5	27%	0.27	25%	0.248	S	C	.	.			trans	-112	-177.6	162.5	60.4	0	0	0	0	109.1	K27 D260 K261	K27-T258 HydrophobicContact CD-CG2 3.85Å; K27-T258 HydrophobicContact CG-CG2 3.64Å; T258-D260 PolarHBondContact O-N 2.97Å; T258-D260 PolarHBondContact OG1-OD1 3.08Å; T258-K261 PolarHBondContact N-O 3.3Å; T258-K261 VanDerWaalsContact OG1-CB 3.29Å; T258-K261 WeakPolarHBondContact OG1-CB 3.37Å; T258-K261 PolarHBondContact OG1-N 3.03Å; T258-K261 PolarHBondContact OG1-O 2.86Å
259	R	80.3	Confident	86.4	Confident	156 Å²	156	42.1 Å²	42.1	59%	0.589	22%	0.217	S	C	*	.	S	Bend	trans	-47	-34.4	176	-171.9	-179.2	-178	178.2	5.7	114.9	L284 D285 T288	R259-L284 WeakPolarHBondContact O-CD2 3.14Å; R259-D285 IonicContact NH2-OD2 3.71Å; R259-D285 PolarHBondContact NH2-OD2 3.24Å; R259-T288 HydrophobicContact CG-CG2 4.28Å
260	D	82.1	Confident	88	Confident	86 Å²	86	40.6 Å²	40.6	46%	0.46	21%	0.212	S	C	.	.	S	Bend	trans	-136.8	6.9	-171.4	65.7	-26.2	0	0	0	113.6	T258 I291 T292	T258-D260 PolarHBondContact O-N 2.97Å; T258-D260 PolarHBondContact OG1-OD1 3.08Å; D260-I291 WeakPolarHBondContact O-CA 3.43Å; D260-T292 PolarHBondContact O-N 2.78Å
261	K	83.6	Confident	88.6	Confident	12 Å²	12	38.8 Å²	38.8	5%	0.052	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	131.2	-176	-165.3	-178.4	174.8	174.7	0	112.1	S25 F257 T258 T292	S25-K261 PolarHBondContact O-NZ 3.03Å; S25-K261 WeakPolarHBondContact OG-CD 3.42Å; S25-K261 VanDerWaalsContact OG-CE 3.31Å; S25-K261 WeakPolarHBondContact OG-CE 3.48Å; S25-K261 PolarHBondContact OG-NZ 3.41Å; F257-K261 CarbonylContact C-O 3.59Å; F257-K261 WeakPolarHBondContact CA-O 3.34Å; F257-K261 WeakPolarHBondContact CB-O 3.2Å; T258-K261 PolarHBondContact N-O 3.3Å; T258-K261 VanDerWaalsContact OG1-CB 3.29Å; T258-K261 WeakPolarHBondContact OG1-CB 3.37Å; T258-K261 PolarHBondContact OG1-N 3.03Å; T258-K261 PolarHBondContact OG1-O 2.86Å; K261-T292 VanDerWaalsContact CA-O 3.28Å; K261-T292 WeakPolarHBondContact CA-O 3.36Å; K261-T292 VanDerWaalsContact CG-O 3.29Å; K261-T292 WeakPolarHBondContact CG-O 3.21Å
262	I	87.1	Confident	88.9	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119	161	-70.4	166	0	0	0	107.1	V255 F257 L265 L277 T280 I291 T292 L293 A338	V255-I262 HydrophobicContact CG2-CG2 4.3Å; F257-I262 HydrophobicContact CB-CG1 4.24Å; I262-L265 HydrophobicContact CG2-CB 4Å; I262-L277 HydrophobicContact CD1-CD1 3.65Å; I262-T280 HydrophobicContact CG1-CG2 4.46Å; I262-I291 HydrophobicContact CB-CG2 4.19Å; I262-I291 HydrophobicContact CD1-CD1 4.24Å; I262-I291 HydrophobicContact CD1-CG2 3.83Å; I262-I291 HydrophobicContact CG1-CG2 3.68Å; I262-T292 PolarHBondContact N-O 3.15Å; I262-L293 HydrophobicContact CB-CB 4.17Å; I262-A338 HydrophobicContact CG2-CB 3.68Å
263	M	82.2	Confident	89	Confident	23 Å²	23	35.6 Å²	35.6	11%	0.113	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-43.8	176.2	-72.5	-164.5	72.4	0	0	112.1	K27 L256 A339 S340	K27-M263 HydrophobicContact CB-SD 4.47Å; K27-M263 HydrophobicContact CD-CE 4.34Å; K27-M263 HydrophobicContact CD-CG 4.49Å; K27-M263 HydrophobicContact CD-SD 3.17Å; K27-M263 WeakPolarHBondContact CD-SD 3.12Å; K27-M263 WeakPolarHBondContact CE-SD 3.5Å; K27-M263 HydrophobicContact CG-CE 4.4Å; K27-M263 HydrophobicContact CG-SD 3.48Å; K27-M263 WeakPolarHBondContact CG-SD 3.03Å; K27-M263 PolarHBondContact NZ-SD 2.9Å; L256-M263 HydrophobicContact CB-CB 4.36Å; L256-M263 HydrophobicContact CD2-CB 4.23Å; L256-M263 HydrophobicContact CD2-SD 3.99Å; L256-M263 HydrophobicContact CG-CB 4.26Å; L256-M263 HydrophobicContact CG-SD 4.4Å; L256-M263 WeakPolarHBondContact O-CB 3.49Å; L256-M263 PolarHBondContact O-N 3.43Å; M263-A339 CarbonylContact O-C 3.53Å; M263-S340 VanDerWaalsContact O-CA 3.29Å; M263-S340 WeakPolarHBondContact O-CA 3.21Å; M263-S340 WeakPolarHBondContact O-CB 3.42Å; M263-S340 PolarHBondContact O-N 2.87Å
264	C	87.5	Confident	89.1	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	149.3	170.7	59.7	0	0	0	0	109.8	Y254 V255 L256 Y266 A338	Y254-C264 WeakPolarHBondContact CE2-SG 3.3Å; Y254-C264 PolarHBondContact OH-SG 3.43Å; V255-C264 CarbonylContact C-O 3.52Å; V255-C264 WeakPolarHBondContact CA-O 3.4Å; L256-C264 WeakPolarHBondContact CB-SG 3.24Å; L256-C264 PolarHBondContact N-O 2.79Å; L256-C264 PolarHBondContact O-N 3.36Å; C264-Y266 HydrophobicContact CB-CD1 4.25Å; C264-Y266 HydrophobicContact CB-CE1 3.71Å; C264-A338 CarbonylContact C-O 3.52Å; C264-A338 VanDerWaalsContact CA-O 3.27Å; C264-A338 WeakPolarHBondContact CA-O 3.32Å
265	L	91.9	Very high	89.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	103.8	175.7	175	60.4	0	0	0	106.8	Y254 V255 I262 M273 M276 L277 M301 Y337 A338	Y254-L265 WeakPolarHBondContact O-CA 3.41Å; V255-L265 HydrophobicContact CB-CD1 3.68Å; V255-L265 HydrophobicContact CG2-CB 4.31Å; V255-L265 HydrophobicContact CG2-CD1 3.87Å; I262-L265 HydrophobicContact CG2-CB 4Å; L265-M273 HydrophobicContact CD1-CG 4.46Å; L265-M273 HydrophobicContact CD2-CG 3.67Å; L265-M273 HydrophobicContact CD2-SD 4.16Å; L265-M273 HydrophobicContact CG-CG 3.98Å; L265-M276 HydrophobicContact CD1-CB 4.1Å; L265-M276 HydrophobicContact CD1-CE 3.72Å; L265-L277 HydrophobicContact CD2-CB 4.49Å; L265-M301 HydrophobicContact CD2-CE 3.26Å; L265-Y337 PolarHBondContact O-N 3.12Å; L265-A338 HydrophobicContact CB-CB 3.78Å; L265-A338 PolarHBondContact N-O 3.1Å; L265-A338 PolarHBondContact O-N 3.25Å; L265-A338 VanDerWaalsContact O-N 3.13Å
266	Y	93.2	Very high	89.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.2	-178.4	-58.5	-15	0	0	0	109.7	D232 V235 V236 R240 G253 Y254 C264 M276 Y335 V336 Q344	D232-Y266 WeakPolarHBondContact OD1-CE2 3.49Å; V235-Y266 HydrophobicContact CB-CD2 3.81Å; V235-Y266 HydrophobicContact CB-CE2 4.06Å; V235-Y266 HydrophobicContact CB-CG 4.49Å; V235-Y266 HydrophobicContact CG1-CD1 4.32Å; V235-Y266 HydrophobicContact CG1-CD2 3.53Å; V235-Y266 HydrophobicContact CG1-CE1 4.45Å; V235-Y266 HydrophobicContact CG1-CE2 3.64Å; V235-Y266 HydrophobicContact CG1-CG 3.89Å; V235-Y266 HydrophobicContact CG2-CD2 3.87Å; V235-Y266 HydrophobicContact CG2-CG 4.3Å; V236-Y266 HydrophobicContact CG2-CE2 3.88Å; R240-Y266 PolarHBondContact NH1-OH 3Å; R240-Y266 VanDerWaalsContact NH2-CE2 3.27Å; R240-Y266 PolarHBondContact NH2-OH 3.33Å; G253-Y266 CarbonylContact C-O 3.41Å; G253-Y266 WeakPolarHBondContact CA-O 3.4Å; Y254-Y266 HydrophobicContact CD1-CD2 4.14Å; Y254-Y266 AromaticContact CE1-CD2 3.27Å; Y254-Y266 HydrophobicContact CE1-CD2 3.27Å; Y254-Y266 AromaticContact CE1-CE2 3.85Å; Y254-Y266 HydrophobicContact CE1-CE2 3.85Å; Y254-Y266 HydrophobicContact CE1-CG 4.05Å; Y254-Y266 AromaticContact CZ-CD2 3.67Å; Y254-Y266 AromaticContact CZ-CE2 3.85Å; Y254-Y266 PolarHBondContact N-O 3.41Å; Y254-Y266 PolarHBondContact O-N 2.94Å; Y254-Y266 VanDerWaalsContact OH-CE2 3.22Å; Y254-Y266 WeakPolarHBondContact OH-CE2 3.42Å; C264-Y266 HydrophobicContact CB-CD1 4.25Å; C264-Y266 HydrophobicContact CB-CE1 3.71Å; Y266-M276 VanDerWaalsContact O-CE 3.27Å; Y266-M276 WeakPolarHBondContact O-CE 3.15Å; Y266-Y335 CarbonylContact C-O 3.5Å; Y266-Y335 WeakPolarHBondContact CA-O 3.34Å; Y266-V336 HydrophobicContact CD1-CB 4.42Å; Y266-V336 HydrophobicContact CD1-CG1 4.3Å; Y266-V336 HydrophobicContact CD1-CG2 4.11Å; Y266-V336 HydrophobicContact CE1-CB 4.46Å; Y266-V336 HydrophobicContact CE1-CG1 4.01Å; Y266-V336 HydrophobicContact CE1-CG2 4Å; Y266-Q344 VanDerWaalsContact OH-CG 3.29Å; Y266-Q344 WeakPolarHBondContact OH-CG 3.35Å; Y266-Q344 PolarHBondContact OH-NE2 2.91Å
267	A	95	Very high	89.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	145.5	-179.1	0	0	0	0	0	111.2	S269 I272 M273 M276 Y335 Y337	A267-S269 WeakPolarHBondContact CB-O 3.49Å; A267-S269 PolarHBondContact O-N 3.08Å; A267-I272 HydrophobicContact CB-CB 4.09Å; A267-I272 HydrophobicContact CB-CG2 3.9Å; A267-M273 HydrophobicContact CB-CB 3.8Å; A267-M276 HydrophobicContact CB-CE 3.69Å; A267-Y335 PolarHBondContact N-O 3.11Å; A267-Y335 VanDerWaalsContact O-CA 3.27Å; A267-Y335 WeakPolarHBondContact O-CA 3.36Å; A267-Y335 WeakPolarHBondContact O-CB 3.31Å; A267-Y337 HydrophobicContact CB-CD2 4.05Å; A267-Y337 HydrophobicContact CB-CE2 3.86Å
268	K	94.7	Very high	89.9	Confident	72 Å²	72	33.5 Å²	33.5	31%	0.313	17%	0.17	S	C	.	.	S	Bend	trans	-69.6	-16.4	174.1	-68.4	-170.1	175.8	-171.9	0	113.6	F231 E234 N252 I272 Y335	F231-K268 HydrophobicContact CE2-CD 4.21Å; F231-K268 HydrophobicContact CE2-CG 3.75Å; F231-K268 HydrophobicContact CZ-CG 4.27Å; E234-K268 WeakPolarHBondContact OE1-CE 3.38Å; E234-K268 IonicContact OE1-NZ 2.68Å; E234-K268 PolarHBondContact OE1-NZ 3.21Å; E234-K268 WeakPolarHBondContact OE2-CE 3.46Å; E234-K268 IonicContact OE2-NZ 3.39Å; E234-K268 PolarHBondContact OE2-NZ 3.4Å; N252-K268 PolarHBondContact O-N 3.2Å; K268-I272 HydrophobicContact CB-CD1 4.17Å; K268-Y335 HydrophobicContact CB-CE1 4.41Å; K268-Y335 HydrophobicContact CG-CD2 4.32Å; K268-Y335 HydrophobicContact CG-CE1 4.44Å; K268-Y335 HydrophobicContact CG-CE2 3.87Å
269	S	94.8	Very high	90.2	Very high	36 Å²	36	33.1 Å²	33.1	25%	0.252	17%	0.168	S	C	.	.	S	Bend	trans	-153.2	162.8	177.8	75.2	0	0	0	0	112.2	A267 S271 I272 M273 Y337	A267-S269 WeakPolarHBondContact CB-O 3.49Å; A267-S269 PolarHBondContact O-N 3.08Å; S269-S271 VanDerWaalsContact C-N 3.31Å; S269-S271 PolarHBondContact O-N 3.29Å; S269-S271 PolarHBondContact OG-OG 3.42Å; S269-I272 PolarHBondContact O-N 2.94Å; S269-I272 WeakPolarHBondContact OG-CD1 3.49Å; S269-I272 WeakPolarHBondContact OG-CG1 3.47Å; S269-I272 PolarHBondContact OG-N 3.37Å; S269-M273 PolarHBondContact O-N 2.79Å; S269-Y337 VanDerWaalsContact C-OH 3.26Å
270	Q	94	Very high	90.6	Very high	95 Å²	95	25.9 Å²	25.9	44%	0.444	14%	0.141	S	C	.	.	H	α-helix	trans	-62.7	-38.3	175.7	-174.6	-176.1	-48.9	0	0	111.7	I272 M273 E274 W304 Y337	Q270-I272 VanDerWaalsContact C-N 3.33Å; Q270-I272 PolarHBondContact O-N 3.46Å; Q270-M273 HydrophobicContact CG-CE 3.88Å; Q270-M273 WeakPolarHBondContact O-CB 3.42Å; Q270-M273 PolarHBondContact O-N 3.43Å; Q270-E274 HydrophobicContact CG-CG 4.32Å; Q270-E274 PolarHBondContact NE2-OE1 3.08Å; Q270-E274 WeakPolarHBondContact O-CG 3.44Å; Q270-E274 PolarHBondContact O-N 3.01Å; Q270-W304 VanDerWaalsContact NE2-CD1 3.28Å; Q270-Y337 VanDerWaalsContact CA-OH 3.25Å; Q270-Y337 WeakPolarHBondContact CA-OH 3.39Å; Q270-Y337 HydrophobicContact CB-CE1 4.44Å; Q270-Y337 PolarHBondContact N-OH 3.04Å
271	S	93	Very high	90.8	Very high	62 Å²	62	22.3 Å²	22.3	43%	0.434	12%	0.122	S	C	.	.	H	α-helix	trans	-63.5	-37.5	178.5	56.3	0	0	0	0	112.7	S269 A275	S269-S271 VanDerWaalsContact C-N 3.31Å; S269-S271 PolarHBondContact O-N 3.29Å; S269-S271 PolarHBondContact OG-OG 3.42Å; S271-A275 WeakPolarHBondContact O-CB 3.06Å; S271-A275 PolarHBondContact O-N 3.01Å
272	I	94.3	Very high	90.9	Very high	14 Å²	14	24 Å²	24	7%	0.072	14%	0.135	C	C	.	.	H	α-helix	trans	-67.9	-43.3	174.4	-66.4	160	0	0	0	109.8	W212 N252 A267 K268 S269 Q270 A275 M276	W212-I272 HydrophobicContact CD2-CG1 4.08Å; W212-I272 HydrophobicContact CE3-CG1 4.43Å; W212-I272 HydrophobicContact CH2-CD1 3.92Å; W212-I272 HydrophobicContact CH2-CG1 3.83Å; W212-I272 HydrophobicContact CZ2-CD1 3.97Å; W212-I272 HydrophobicContact CZ2-CG1 3.41Å; W212-I272 VanDerWaalsContact CZ2-CG1 3.41Å; W212-I272 HydrophobicContact CZ3-CD1 4.43Å; W212-I272 HydrophobicContact CZ3-CG1 4.32Å; N252-I272 HydrophobicContact CB-CD1 3.85Å; A267-I272 HydrophobicContact CB-CB 4.09Å; A267-I272 HydrophobicContact CB-CG2 3.9Å; K268-I272 HydrophobicContact CB-CD1 4.17Å; S269-I272 PolarHBondContact O-N 2.94Å; S269-I272 WeakPolarHBondContact OG-CD1 3.49Å; S269-I272 WeakPolarHBondContact OG-CG1 3.47Å; S269-I272 PolarHBondContact OG-N 3.37Å; Q270-I272 VanDerWaalsContact C-N 3.33Å; Q270-I272 PolarHBondContact O-N 3.46Å; I272-A275 PolarHBondContact O-N 3.29Å; I272-M276 HydrophobicContact CG2-CE 3.74Å; I272-M276 HydrophobicContact CG2-SD 4.32Å; I272-M276 WeakPolarHBondContact O-CG 3.41Å; I272-M276 PolarHBondContact O-N 3.11Å
273	M	94.1	Very high	90.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.2	-49.6	176	176.1	-79.5	-67.1	0	0	112	L265 A267 S269 Q270 A275 M276 L277 M301 W304 Y337	L265-M273 HydrophobicContact CD1-CG 4.46Å; L265-M273 HydrophobicContact CD2-CG 3.67Å; L265-M273 HydrophobicContact CD2-SD 4.16Å; L265-M273 HydrophobicContact CG-CG 3.98Å; A267-M273 HydrophobicContact CB-CB 3.8Å; S269-M273 PolarHBondContact O-N 2.79Å; Q270-M273 HydrophobicContact CG-CE 3.88Å; Q270-M273 WeakPolarHBondContact O-CB 3.42Å; Q270-M273 PolarHBondContact O-N 3.43Å; M273-A275 VanDerWaalsContact C-N 3.31Å; M273-A275 PolarHBondContact O-N 3.19Å; M273-M276 PolarHBondContact O-N 2.97Å; M273-L277 VanDerWaalsContact O-CB 3.28Å; M273-L277 WeakPolarHBondContact O-CB 3.48Å; M273-L277 PolarHBondContact O-N 2.84Å; M273-L277 HydrophobicContact SD-CB 4.3Å; M273-L277 HydrophobicContact SD-CD2 4.25Å; M273-M301 HydrophobicContact CE-CE 4.36Å; M273-M301 HydrophobicContact CG-CE 4.08Å; M273-M301 HydrophobicContact SD-CE 3.41Å; M273-M301 WeakPolarHBondContact SD-CE 3.26Å; M273-M301 HydrophobicContact SD-SD 4.32Å; M273-W304 HydrophobicContact CE-CB 4.2Å; M273-W304 HydrophobicContact CE-CD2 3.8Å; M273-W304 HydrophobicContact CE-CE3 4.4Å; M273-W304 HydrophobicContact CE-CG 3.64Å; M273-Y337 HydrophobicContact CB-CD1 4.22Å; M273-Y337 HydrophobicContact CB-CD2 3.83Å; M273-Y337 HydrophobicContact CB-CE1 4.28Å; M273-Y337 HydrophobicContact CB-CE2 3.89Å; M273-Y337 HydrophobicContact CB-CG 4Å; M273-Y337 HydrophobicContact CE-CD1 3.76Å; M273-Y337 HydrophobicContact CE-CE1 3.91Å; M273-Y337 HydrophobicContact CE-CG 4.5Å; M273-Y337 HydrophobicContact CG-CD1 3.72Å; M273-Y337 HydrophobicContact CG-CD2 3.8Å; M273-Y337 HydrophobicContact CG-CE1 4.24Å; M273-Y337 HydrophobicContact CG-CE2 4.31Å; M273-Y337 HydrophobicContact CG-CG 3.48Å; M273-Y337 VanDerWaalsContact CG-CG 3.48Å; M273-Y337 HydrophobicContact SD-CD1 4.41Å
274	E	92.6	Very high	90.5	Very high	53 Å²	53	28.5 Å²	28.5	25%	0.248	16%	0.156	C	C	.	.	H	α-helix	trans	-59.5	-43.3	-179.5	-75.5	172.7	-179	0	0	111.3	Q270 L277 S278 W304	Q270-E274 HydrophobicContact CG-CG 4.32Å; Q270-E274 PolarHBondContact NE2-OE1 3.08Å; Q270-E274 WeakPolarHBondContact O-CG 3.44Å; Q270-E274 PolarHBondContact O-N 3.01Å; E274-L277 PolarHBondContact O-N 3.46Å; E274-S278 WeakPolarHBondContact O-CB 3.2Å; E274-S278 PolarHBondContact O-N 2.9Å; E274-W304 HydrophobicContact CG-CZ2 3.89Å; E274-W304 PolarHBondContact OE1-NE1 3.34Å
275	A	92.4	Very high	89.9	Confident	10 Å²	10	31.7 Å²	31.7	8%	0.083	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-49.3	177.5	0	0	0	0	0	111.4	I214 S271 I272 M273 L277 S278 T279	I214-A275 HydrophobicContact CD1-CB 3.79Å; S271-A275 WeakPolarHBondContact O-CB 3.06Å; S271-A275 PolarHBondContact O-N 3.01Å; I272-A275 PolarHBondContact O-N 3.29Å; M273-A275 VanDerWaalsContact C-N 3.31Å; M273-A275 PolarHBondContact O-N 3.19Å; A275-L277 VanDerWaalsContact C-N 3.34Å; A275-L277 PolarHBondContact O-N 3.27Å; A275-S278 PolarHBondContact O-N 2.65Å; A275-T279 PolarHBondContact O-N 2.73Å; A275-T279 PolarHBondContact O-OG1 2.75Å
276	M	92.7	Very high	89	Confident	14 Å²	14	36.7 Å²	36.7	7%	0.069	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-38.1	176.8	-70.6	-173.1	-59.7	0	0	112.7	L265 Y266 A267 I272 M273 T279 T280	L265-M276 HydrophobicContact CD1-CB 4.1Å; L265-M276 HydrophobicContact CD1-CE 3.72Å; Y266-M276 VanDerWaalsContact O-CE 3.27Å; Y266-M276 WeakPolarHBondContact O-CE 3.15Å; A267-M276 HydrophobicContact CB-CE 3.69Å; I272-M276 HydrophobicContact CG2-CE 3.74Å; I272-M276 HydrophobicContact CG2-SD 4.32Å; I272-M276 WeakPolarHBondContact O-CG 3.41Å; I272-M276 PolarHBondContact O-N 3.11Å; M273-M276 PolarHBondContact O-N 2.97Å; M276-T279 PolarHBondContact O-N 2.98Å; M276-T280 WeakPolarHBondContact O-CB 3.38Å; M276-T280 PolarHBondContact O-N 3.25Å; M276-T280 PolarHBondContact O-OG1 3.26Å
277	L	91	Very high	87.8	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-45.8	177.1	179.9	64.4	0	0	0	110.8	F203 I262 L265 M273 E274 A275 T279 T280 I281 M301 W304	F203-L277 HydrophobicContact CE1-CD1 4.49Å; F203-L277 HydrophobicContact CE1-CD2 3.9Å; F203-L277 HydrophobicContact CZ-CD1 4.42Å; F203-L277 HydrophobicContact CZ-CD2 4.39Å; I262-L277 HydrophobicContact CD1-CD1 3.65Å; L265-L277 HydrophobicContact CD2-CB 4.49Å; M273-L277 VanDerWaalsContact O-CB 3.28Å; M273-L277 WeakPolarHBondContact O-CB 3.48Å; M273-L277 PolarHBondContact O-N 2.84Å; M273-L277 HydrophobicContact SD-CB 4.3Å; M273-L277 HydrophobicContact SD-CD2 4.25Å; E274-L277 PolarHBondContact O-N 3.46Å; A275-L277 VanDerWaalsContact C-N 3.34Å; A275-L277 PolarHBondContact O-N 3.27Å; L277-T279 PolarHBondContact O-N 3.44Å; L277-T280 WeakPolarHBondContact O-CB 3.21Å; L277-T280 PolarHBondContact O-N 2.67Å; L277-I281 HydrophobicContact CD1-CD1 3.93Å; L277-I281 HydrophobicContact CD1-CG1 4.24Å; L277-I281 HydrophobicContact CD2-CD1 4.37Å; L277-I281 HydrophobicContact CG-CD1 3.68Å; L277-I281 HydrophobicContact CG-CG1 4.44Å; L277-I281 WeakPolarHBondContact O-CD1 3.36Å; L277-I281 VanDerWaalsContact O-CG1 3.25Å; L277-I281 WeakPolarHBondContact O-CG1 3.31Å; L277-I281 PolarHBondContact O-N 2.85Å; L277-M301 HydrophobicContact CD1-CE 4.47Å; L277-M301 HydrophobicContact CD2-CE 3.98Å; L277-M301 HydrophobicContact CD2-SD 3.99Å; L277-W304 HydrophobicContact CD2-CE3 4.42Å; L277-W304 HydrophobicContact CD2-CH2 3.7Å; L277-W304 HydrophobicContact CD2-CZ3 3.57Å
278	S	89.5	Confident	86.4	Confident	21 Å²	21	47 Å²	47	15%	0.147	25%	0.247	C	C	.	.	H	α-helix	trans	-58.6	-47.1	175.8	-177.3	0	0	0	0	111.4	Q206 E274 A275 T280 I281 S282	Q206-S278 PolarHBondContact O-OG 2.82Å; E274-S278 WeakPolarHBondContact O-CB 3.2Å; E274-S278 PolarHBondContact O-N 2.9Å; A275-S278 PolarHBondContact O-N 2.65Å; S278-T280 VanDerWaalsContact C-N 3.35Å; S278-T280 PolarHBondContact O-N 3.1Å; S278-I281 PolarHBondContact O-N 3.43Å; S278-S282 PolarHBondContact O-N 2.95Å
279	T	89.4	Confident	85.4	Confident	36 Å²	36	46.7 Å²	46.7	22%	0.221	24%	0.244	C	C	.	.	H	α-helix	trans	-59.4	-46.1	174.6	-56.6	0	0	0	0	111.2	I214 I216 A275 M276 L277 I281 S282 Q283	I214-T279 WeakPolarHBondContact CD1-OG1 3.47Å; I214-T279 HydrophobicContact CG2-CG2 3.83Å; I216-T279 HydrophobicContact CD1-CG2 4.14Å; I216-T279 HydrophobicContact CG1-CG2 4.31Å; A275-T279 PolarHBondContact O-N 2.73Å; A275-T279 PolarHBondContact O-OG1 2.75Å; M276-T279 PolarHBondContact O-N 2.98Å; L277-T279 PolarHBondContact O-N 3.44Å; T279-I281 PolarHBondContact O-N 3.45Å; T279-S282 WeakPolarHBondContact O-CB 3.03Å; T279-S282 PolarHBondContact O-N 3.13Å; T279-S282 VanDerWaalsContact O-N 3.17Å; T279-S282 PolarHBondContact O-OG 2.68Å; T279-Q283 WeakPolarHBondContact O-CG 3.41Å; T279-Q283 PolarHBondContact O-N 3.29Å
280	T	88.2	Confident	84.9	Confident	4 Å²	4	48.1 Å²	48.1	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-58.1	-50	178.4	-59	0	0	0	0	111.6	V255 F257 I262 M276 L277 S278 S282 Q283	V255-T280 VanDerWaalsContact CG1-OG1 3.31Å; V255-T280 WeakPolarHBondContact CG1-OG1 3.48Å; V255-T280 HydrophobicContact CG2-CG2 4.44Å; F257-T280 HydrophobicContact CB-CG2 4.03Å; F257-T280 HydrophobicContact CD1-CG2 3.73Å; F257-T280 HydrophobicContact CD2-CG2 3.69Å; F257-T280 HydrophobicContact CE1-CG2 4.05Å; F257-T280 HydrophobicContact CE2-CG2 4.02Å; F257-T280 HydrophobicContact CG-CG2 3.55Å; F257-T280 HydrophobicContact CZ-CG2 4.19Å; I262-T280 HydrophobicContact CG1-CG2 4.46Å; M276-T280 WeakPolarHBondContact O-CB 3.38Å; M276-T280 PolarHBondContact O-N 3.25Å; M276-T280 PolarHBondContact O-OG1 3.26Å; L277-T280 WeakPolarHBondContact O-CB 3.21Å; L277-T280 PolarHBondContact O-N 2.67Å; S278-T280 VanDerWaalsContact C-N 3.35Å; S278-T280 PolarHBondContact O-N 3.1Å; T280-S282 PolarHBondContact O-N 3.45Å; T280-Q283 WeakPolarHBondContact O-CB 3.22Å; T280-Q283 PolarHBondContact O-N 3.37Å
281	I	86.6	Confident	84.4	Confident	12 Å²	12	43.7 Å²	43.7	6%	0.062	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-36.6	179.1	-67.1	157	0	0	0	110.9	F203 V205 L277 S278 T279 Q283 L284 I291	F203-I281 HydrophobicContact CB-CD1 3.6Å; F203-I281 HydrophobicContact CB-CG1 3.86Å; F203-I281 HydrophobicContact CB-CG2 3.96Å; F203-I281 HydrophobicContact CD1-CD1 3.47Å; F203-I281 VanDerWaalsContact CD1-CD1 3.47Å; F203-I281 HydrophobicContact CD1-CG1 4.38Å; F203-I281 HydrophobicContact CD2-CD1 4.34Å; F203-I281 HydrophobicContact CD2-CG1 4.43Å; F203-I281 HydrophobicContact CE1-CD1 4.21Å; F203-I281 HydrophobicContact CG-CD1 3.54Å; F203-I281 HydrophobicContact CG-CG1 3.98Å; V205-I281 HydrophobicContact CG2-CG2 3.94Å; L277-I281 HydrophobicContact CD1-CD1 3.93Å; L277-I281 HydrophobicContact CD1-CG1 4.24Å; L277-I281 HydrophobicContact CD2-CD1 4.37Å; L277-I281 HydrophobicContact CG-CD1 3.68Å; L277-I281 HydrophobicContact CG-CG1 4.44Å; L277-I281 WeakPolarHBondContact O-CD1 3.36Å; L277-I281 VanDerWaalsContact O-CG1 3.25Å; L277-I281 WeakPolarHBondContact O-CG1 3.31Å; L277-I281 PolarHBondContact O-N 2.85Å; S278-I281 PolarHBondContact O-N 3.43Å; T279-I281 PolarHBondContact O-N 3.45Å; I281-Q283 PolarHBondContact O-N 2.92Å; I281-L284 PolarHBondContact O-N 2.94Å; I281-L284 VanDerWaalsContact O-N 3.13Å; I281-I291 HydrophobicContact CG1-CD1 3.89Å
282	S	85.2	Confident	84.2	Confident	46 Å²	46	42.2 Å²	42.2	32%	0.322	22%	0.219	S	C	.	.	H	α-helix	trans	-66.3	-19.6	177.7	79.7	0	0	0	0	114	S278 T279 T280	S278-S282 PolarHBondContact O-N 2.95Å; T279-S282 WeakPolarHBondContact O-CB 3.03Å; T279-S282 PolarHBondContact O-N 3.13Å; T279-S282 VanDerWaalsContact O-N 3.17Å; T279-S282 PolarHBondContact O-OG 2.68Å; T280-S282 PolarHBondContact O-N 3.45Å
283	Q	83.1	Confident	83.9	Confident	102 Å²	102	41.5 Å²	41.5	48%	0.477	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-12.4	175.2	-59.2	-52.3	-56.6	0	0	113.1	I216 F257 T279 T280 I281	I216-Q283 HydrophobicContact CD1-CG 3.56Å; F257-Q283 HydrophobicContact CE2-CB 4.22Å; F257-Q283 HydrophobicContact CZ-CB 4.21Å; F257-Q283 HydrophobicContact CZ-CG 4.38Å; T279-Q283 WeakPolarHBondContact O-CG 3.41Å; T279-Q283 PolarHBondContact O-N 3.29Å; T280-Q283 WeakPolarHBondContact O-CB 3.22Å; T280-Q283 PolarHBondContact O-N 3.37Å; I281-Q283 PolarHBondContact O-N 2.92Å
284	L	78.3	Confident	83.7	Confident	18 Å²	18	41.5 Å²	41.5	9%	0.094	22%	0.216	C	C	.	.	S	Bend	trans	-81.1	140.8	-179.1	-56.4	-175	0	0	0	110.4	F257 R259 I281 D286 I291	F257-L284 HydrophobicContact CD2-CD2 4.16Å; F257-L284 HydrophobicContact CE2-CD2 4.23Å; R259-L284 WeakPolarHBondContact O-CD2 3.14Å; I281-L284 PolarHBondContact O-N 2.94Å; I281-L284 VanDerWaalsContact O-N 3.13Å; L284-D286 PolarHBondContact O-N 3.41Å; L284-I291 HydrophobicContact CD1-CD1 3.3Å; L284-I291 HydrophobicContact CD1-CG1 3.39Å
285	D	74.3	Confident	83.7	Confident	66 Å²	66	39 Å²	39	35%	0.353	20%	0.204	S	C	.	.			trans	-56.6	136.8	171.7	166.7	2.9	0	0	0	109.3	R259 K287 T288	R259-D285 IonicContact NH2-OD2 3.71Å; R259-D285 PolarHBondContact NH2-OD2 3.24Å; D285-K287 PolarHBondContact O-N 3.47Å; D285-K287 PolarHBondContact OD1-N 3.37Å; D285-T288 WeakPolarHBondContact CB-OG1 3.39Å; D285-T288 CarbonylContact O-C 3.5Å; D285-T288 VanDerWaalsContact O-C 3.26Å; D285-T288 WeakPolarHBondContact O-CA 3.23Å; D285-T288 PolarHBondContact O-N 2.96Å; D285-T288 PolarHBondContact O-OG1 3.35Å
286	D	72.3	Confident	83.7	Confident	106 Å²	106	38.8 Å²	38.8	57%	0.567	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-26.1	-178.5	-85.8	-28.9	0	0	0	113.4	L284 R289	L284-D286 PolarHBondContact O-N 3.41Å; D286-R289 WeakPolarHBondContact O-CG 3.44Å; D286-R289 IonicContact OD1-CZ 2.63Å; D286-R289 IonicContact OD1-NE 3.13Å; D286-R289 PolarHBondContact OD1-NE 2.88Å; D286-R289 IonicContact OD1-NH2 3.84Å; D286-R289 PolarHBondContact OD1-NH2 3Å
287	K	68.5	Low	83.6	Confident	186 Å²	186	42 Å²	42	81%	0.809	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-34.7	173.9	-65.2	-178.7	-179	177.8	0	112.6	D285 R289	D285-K287 PolarHBondContact O-N 3.47Å; D285-K287 PolarHBondContact OD1-N 3.37Å; K287-R289 PolarHBondContact O-N 3.12Å
288	T	65	Low	83.6	Confident	30 Å²	30	46.1 Å²	46.1	18%	0.184	24%	0.235	C	C	.	.			trans	-98	64.9	178.6	39	0	0	0	0	110.6	R259 D285 T290	R259-T288 HydrophobicContact CG-CG2 4.28Å; D285-T288 WeakPolarHBondContact CB-OG1 3.39Å; D285-T288 CarbonylContact O-C 3.5Å; D285-T288 VanDerWaalsContact O-C 3.26Å; D285-T288 WeakPolarHBondContact O-CA 3.23Å; D285-T288 PolarHBondContact O-N 2.96Å; D285-T288 PolarHBondContact O-OG1 3.35Å; T288-T290 VanDerWaalsContact C-N 3.35Å
289	R	74.4	Confident	83.7	Confident	66 Å²	66	49.3 Å²	49.3	25%	0.249	25%	0.251	C	S	.	.			trans	-91.7	1.6	171.9	-76.7	-176.7	-176.8	-157.4	3.8	113.6	R202 F203 D286 K287	R202-R289 CarbonylContact C-O 3.38Å; R202-R289 WeakPolarHBondContact CA-O 3.42Å; R202-R289 HydrophobicContact CG-CB 4.2Å; F203-R289 PolarHBondContact N-O 3.31Å; F203-R289 WeakPolarHBondContact O-CB 3.39Å; D286-R289 WeakPolarHBondContact O-CG 3.44Å; D286-R289 IonicContact OD1-CZ 2.63Å; D286-R289 IonicContact OD1-NE 3.13Å; D286-R289 PolarHBondContact OD1-NE 2.88Å; D286-R289 IonicContact OD1-NH2 3.84Å; D286-R289 PolarHBondContact OD1-NH2 3Å; K287-R289 PolarHBondContact O-N 3.12Å
290	T	83.5	Confident	83.8	Confident	66 Å²	66	48 Å²	48	41%	0.405	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	118.2	173.1	-59.6	0	0	0	0	108.4	Q201 T288	Q201-T290 CarbonylContact O-C 3.5Å; Q201-T290 WeakPolarHBondContact O-CA 3.34Å; T288-T290 VanDerWaalsContact C-N 3.35Å
291	I	85.2	Confident	84	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.7	179.5	-56.8	176.9	0	0	0	108.2	S200 Q201 F203 D260 I262 I281 L284	S200-I291 CarbonylContact C-O 3.56Å; S200-I291 VanDerWaalsContact CA-O 3.31Å; S200-I291 WeakPolarHBondContact CA-O 3.36Å; Q201-I291 PolarHBondContact N-O 3.14Å; Q201-I291 PolarHBondContact O-N 2.87Å; F203-I291 HydrophobicContact CD2-CB 4.09Å; F203-I291 HydrophobicContact CD2-CD1 3.58Å; F203-I291 HydrophobicContact CD2-CG1 3.88Å; F203-I291 HydrophobicContact CE2-CB 3.97Å; F203-I291 HydrophobicContact CE2-CD1 3.91Å; F203-I291 HydrophobicContact CE2-CG1 4.23Å; F203-I291 HydrophobicContact CG-CD1 4.43Å; D260-I291 WeakPolarHBondContact O-CA 3.43Å; I262-I291 HydrophobicContact CB-CG2 4.19Å; I262-I291 HydrophobicContact CD1-CD1 4.24Å; I262-I291 HydrophobicContact CD1-CG2 3.83Å; I262-I291 HydrophobicContact CG1-CG2 3.68Å; I281-I291 HydrophobicContact CG1-CD1 3.89Å; L284-I291 HydrophobicContact CD1-CD1 3.3Å; L284-I291 HydrophobicContact CD1-CG1 3.39Å
292	T	87.2	Confident	84.2	Confident	30 Å²	30	48 Å²	48	18%	0.184	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	135.6	168.3	-57.7	0	0	0	0	109.7	L198 F199 S200 D260 K261 I262	L198-T292 HydrophobicContact CD1-CG2 3.83Å; L198-T292 HydrophobicContact CG-CG2 4.33Å; F199-T292 CarbonylContact O-C 3.53Å; F199-T292 WeakPolarHBondContact O-CA 3.29Å; S200-T292 PolarHBondContact OG-OG1 2.84Å; D260-T292 PolarHBondContact O-N 2.78Å; K261-T292 VanDerWaalsContact CA-O 3.28Å; K261-T292 WeakPolarHBondContact CA-O 3.36Å; K261-T292 VanDerWaalsContact CG-O 3.29Å; K261-T292 WeakPolarHBondContact CG-O 3.21Å; I262-T292 PolarHBondContact N-O 3.15Å
293	L	88.8	Confident	84.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	156.2	177.3	71.9	91.2	0	0	0	110.8	F199 I262 M301 A338	F199-L293 HydrophobicContact CD1-CD1 4.24Å; F199-L293 HydrophobicContact CE1-CD1 3.37Å; F199-L293 HydrophobicContact CE1-CG 4.04Å; F199-L293 HydrophobicContact CE2-CD1 4.01Å; F199-L293 HydrophobicContact CE2-CD2 3.96Å; F199-L293 HydrophobicContact CE2-CG 3.88Å; F199-L293 HydrophobicContact CZ-CD1 3.25Å; F199-L293 HydrophobicContact CZ-CD2 3.95Å; F199-L293 HydrophobicContact CZ-CG 3.66Å; F199-L293 PolarHBondContact N-O 3.3Å; F199-L293 PolarHBondContact O-N 2.81Å; I262-L293 HydrophobicContact CB-CB 4.17Å; L293-M301 HydrophobicContact CD1-CB 4.07Å; L293-M301 HydrophobicContact CD1-CG 3.89Å; L293-M301 HydrophobicContact CD2-CG 3.77Å; L293-A338 HydrophobicContact CD1-CB 4.34Å
294	F	89.9	Confident	84.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.5	173.5	-177.8	-108.5	0	0	0	108.2	F196 I197 L198 Y319 A338 A339 I341	F196-F294 HydrophobicContact CB-CD1 4.49Å; F196-F294 HydrophobicContact CB-CD2 4.26Å; F196-F294 HydrophobicContact CB-CE1 3.67Å; F196-F294 HydrophobicContact CB-CE2 3.4Å; F196-F294 VanDerWaalsContact CB-CE2 3.4Å; F196-F294 HydrophobicContact CB-CZ 3.07Å; F196-F294 HydrophobicContact CD1-CD1 4.4Å; F196-F294 AromaticContact CD1-CE1 3.63Å; F196-F294 HydrophobicContact CD1-CE1 3.63Å; F196-F294 AromaticContact CD1-CZ 3.94Å; F196-F294 HydrophobicContact CD1-CZ 3.94Å; F196-F294 HydrophobicContact CD2-CZ 4.28Å; F196-F294 HydrophobicContact CE1-CE1 4.47Å; F196-F294 AromaticContact CG-CE1 3.73Å; F196-F294 HydrophobicContact CG-CE1 3.73Å; F196-F294 HydrophobicContact CG-CE2 4.33Å; F196-F294 AromaticContact CG-CZ 3.52Å; F196-F294 HydrophobicContact CG-CZ 3.52Å; I197-F294 CarbonylContact O-C 3.56Å; I197-F294 VanDerWaalsContact O-CA 3.28Å; I197-F294 WeakPolarHBondContact O-CA 3.48Å; L198-F294 HydrophobicContact CB-CD2 4Å; L198-F294 HydrophobicContact CD1-CB 4.04Å; L198-F294 HydrophobicContact CD1-CD2 4.41Å; F294-Y319 AromaticContact CE2-CD2 3.9Å; F294-Y319 HydrophobicContact CE2-CD2 3.9Å; F294-Y319 HydrophobicContact CE2-CG 4.08Å; F294-A338 CarbonylContact O-C 3.52Å; F294-A338 WeakPolarHBondContact O-CA 3.41Å; F294-A339 WeakPolarHBondContact CB-O 3.21Å; F294-A339 HydrophobicContact CD1-CB 3.92Å; F294-A339 PolarHBondContact O-N 3.14Å; F294-I341 HydrophobicContact CB-CG1 4.42Å; F294-I341 HydrophobicContact CD1-CG1 3.93Å; F294-I341 HydrophobicContact CD2-CD1 4.26Å; F294-I341 HydrophobicContact CD2-CG1 3.83Å; F294-I341 HydrophobicContact CE1-CG1 3.96Å; F294-I341 HydrophobicContact CE2-CD1 4.31Å; F294-I341 HydrophobicContact CE2-CG1 3.85Å; F294-I341 HydrophobicContact CG-CG1 3.84Å; F294-I341 HydrophobicContact CZ-CG1 3.88Å
295	S	92	Very high	85.4	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	163.6	-176	-178.7	0	0	0	0	109.8	F196 I197 Y297 D299 M301 H302 Y337	F196-S295 CarbonylContact C-O 3.45Å; F196-S295 VanDerWaalsContact CA-O 3.23Å; F196-S295 WeakPolarHBondContact CA-O 3.36Å; I197-S295 PolarHBondContact N-O 2.93Å; I197-S295 PolarHBondContact O-N 3.2Å; S295-Y297 PolarHBondContact O-N 3.23Å; S295-D299 PolarHBondContact OG-O 3.18Å; S295-M301 PolarHBondContact OG-N 2.88Å; S295-H302 PolarHBondContact OG-N 2.9Å; S295-H302 VanDerWaalsContact OG-N 3.16Å; S295-Y337 PolarHBondContact OG-O 3.29Å
296	I	92.3	Very high	85.9	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.026	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	133.9	162.2	-50.8	172.4	0	0	0	107.7	R194 F196 D299 H302 W333	R194-I296 HydrophobicContact CB-CG2 4.36Å; R194-I296 HydrophobicContact CG-CG2 4.36Å; F196-I296 HydrophobicContact CE1-CG1 4.32Å; I296-D299 HydrophobicContact CB-CB 3.96Å; I296-D299 HydrophobicContact CG2-CB 3.71Å; I296-D299 PolarHBondContact O-N 3.12Å; I296-H302 WeakPolarHBondContact O-CB 3.47Å; I296-W333 HydrophobicContact CD1-CB 4.3Å; I296-W333 HydrophobicContact CD1-CD2 4.32Å; I296-W333 HydrophobicContact CD1-CE3 3.68Å; I296-W333 HydrophobicContact CD1-CZ3 4.37Å; I296-W333 HydrophobicContact CG1-CE3 4.17Å; I296-W333 HydrophobicContact CG1-CZ3 4.38Å
297	Y	90.7	Very high	86.5	Confident	82 Å²	82	44.9 Å²	44.9	32%	0.322	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	132.8	177.9	-176.2	-118.3	0	0	0	109.8	Q195 I197 S295 D299 H302 V318	Q195-Y297 HydrophobicContact CB-CD1 4.44Å; Q195-Y297 PolarHBondContact O-N 2.92Å; I197-Y297 HydrophobicContact CB-CD2 3.96Å; I197-Y297 HydrophobicContact CD1-CD2 3.93Å; I197-Y297 HydrophobicContact CD1-CE2 4.09Å; I197-Y297 HydrophobicContact CG1-CD2 4.48Å; I197-Y297 HydrophobicContact CG2-CD2 4.09Å; S295-Y297 PolarHBondContact O-N 3.23Å; Y297-D299 PolarHBondContact O-N 3.04Å; Y297-H302 AromaticContact CD2-CE1 3.56Å; Y297-H302 AromaticContact CD2-ND1 3.97Å; Y297-H302 AromaticContact CE2-CE1 3.48Å; Y297-H302 VanDerWaalsContact CE2-CE1 3.48Å; Y297-H302 WeakPolarHBondContact CE2-CE1 3.42Å; Y297-H302 AromaticContact CE2-NE2 3.88Å; Y297-V318 HydrophobicContact CD2-CG2 4.09Å; Y297-V318 HydrophobicContact CE2-CG2 4.03Å; Y297-V318 HydrophobicContact CG-CG2 4.46Å
298	N	90.7	Very high	87.2	Confident	90 Å²	90	39.5 Å²	39.5	48%	0.481	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	22	-173.1	-59.9	-29.8	0	0	0	115.4	H302	N298-H302 WeakPolarHBondContact CA-ND1 3.13Å; N298-H302 PolarHBondContact N-ND1 2.92Å; N298-H302 PolarHBondContact OD1-CE1 3.38Å; N298-H302 VanDerWaalsContact OD1-CE1 3.31Å
299	D	92.4	Very high	87.6	Confident	88 Å²	88	39.9 Å²	39.9	47%	0.471	21%	0.208	S	C	.	.	S	Bend	trans	-145.7	-178.1	173.5	-157	-10.6	0	0	0	109.7	S295 I296 Y297 M301 H302 A303	S295-D299 PolarHBondContact OG-O 3.18Å; I296-D299 HydrophobicContact CB-CB 3.96Å; I296-D299 HydrophobicContact CG2-CB 3.71Å; I296-D299 PolarHBondContact O-N 3.12Å; Y297-D299 PolarHBondContact O-N 3.04Å; D299-M301 PolarHBondContact O-N 3.48Å; D299-H302 PolarHBondContact O-N 3.21Å; D299-H302 VanDerWaalsContact O-N 3.12Å; D299-A303 PolarHBondContact O-N 2.82Å
300	G	92.2	Very high	86.8	Confident	9 Å²	9	42 Å²	42	9%	0.093	23%	0.23	C	C	.	.	H	α-helix	trans	52.7	-132.6	175.6	0	0	0	0	0	113.2	H302 W304	G300-H302 VanDerWaalsContact C-N 3.31Å; G300-H302 PolarHBondContact O-N 2.89Å; G300-W304 WeakPolarHBondContact O-CB 3.36Å; G300-W304 PolarHBondContact O-N 2.89Å; G300-W304 VanDerWaalsContact O-N 3.1Å
301	M	91.5	Very high	85.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.6	-34.1	178.9	-174.5	61.8	60.6	0	0	112.5	F199 L265 M273 L277 L293 S295 D299 W304 L305 Y337	F199-M301 HydrophobicContact CZ-CG 4.38Å; L265-M301 HydrophobicContact CD2-CE 3.26Å; M273-M301 HydrophobicContact CE-CE 4.36Å; M273-M301 HydrophobicContact CG-CE 4.08Å; M273-M301 HydrophobicContact SD-CE 3.41Å; M273-M301 WeakPolarHBondContact SD-CE 3.26Å; M273-M301 HydrophobicContact SD-SD 4.32Å; L277-M301 HydrophobicContact CD1-CE 4.47Å; L277-M301 HydrophobicContact CD2-CE 3.98Å; L277-M301 HydrophobicContact CD2-SD 3.99Å; L293-M301 HydrophobicContact CD1-CB 4.07Å; L293-M301 HydrophobicContact CD1-CG 3.89Å; L293-M301 HydrophobicContact CD2-CG 3.77Å; S295-M301 PolarHBondContact OG-N 2.88Å; D299-M301 PolarHBondContact O-N 3.48Å; M301-W304 HydrophobicContact SD-CD2 4.4Å; M301-W304 HydrophobicContact SD-CE3 3.43Å; M301-W304 HydrophobicContact SD-CZ3 3.81Å; M301-L305 HydrophobicContact CG-CD1 3.9Å; M301-L305 HydrophobicContact CG-CG 4.2Å; M301-L305 WeakPolarHBondContact O-CB 3.49Å; M301-L305 VanDerWaalsContact O-CG 3.27Å; M301-L305 WeakPolarHBondContact O-CG 3.5Å; M301-L305 PolarHBondContact O-N 2.88Å; M301-L305 HydrophobicContact SD-CD1 4.34Å; M301-L305 HydrophobicContact SD-CG 4.11Å; M301-Y337 WeakPolarHBondContact CB-O 3.39Å; M301-Y337 PolarHBondContact N-O 3.06Å
302	H	90.8	Very high	84.1	Confident	14 Å²	14	54.1 Å²	54.1	7%	0.065	28%	0.282	C	S	.	.	H	α-helix	trans	-65.3	-48.6	-179.8	-179.4	-104.3	0	0	0	111.5	I197 F199 S295 I296 Y297 N298 D299 G300 L305 Q306	I197-H302 HydrophobicContact CG2-CB 4.01Å; F199-H302 HydrophobicContact CE1-CB 4.25Å; S295-H302 PolarHBondContact OG-N 2.9Å; S295-H302 VanDerWaalsContact OG-N 3.16Å; I296-H302 WeakPolarHBondContact O-CB 3.47Å; Y297-H302 AromaticContact CD2-CE1 3.56Å; Y297-H302 AromaticContact CD2-ND1 3.97Å; Y297-H302 AromaticContact CE2-CE1 3.48Å; Y297-H302 VanDerWaalsContact CE2-CE1 3.48Å; Y297-H302 WeakPolarHBondContact CE2-CE1 3.42Å; Y297-H302 AromaticContact CE2-NE2 3.88Å; N298-H302 WeakPolarHBondContact CA-ND1 3.13Å; N298-H302 PolarHBondContact N-ND1 2.92Å; N298-H302 PolarHBondContact OD1-CE1 3.38Å; N298-H302 VanDerWaalsContact OD1-CE1 3.31Å; D299-H302 PolarHBondContact O-N 3.21Å; D299-H302 VanDerWaalsContact O-N 3.12Å; G300-H302 VanDerWaalsContact C-N 3.31Å; G300-H302 PolarHBondContact O-N 2.89Å; H302-L305 PolarHBondContact O-N 3.35Å; H302-Q306 PolarHBondContact CE1-NE2 3.26Å; H302-Q306 VanDerWaalsContact O-CG 3.31Å; H302-Q306 WeakPolarHBondContact O-CG 3.31Å; H302-Q306 PolarHBondContact O-N 2.66Å
303	A	90.6	Very high	82.9	Confident	19 Å²	19	55.2 Å²	55.2	16%	0.157	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-44.9	175.9	0	0	0	0	0	112	D299 L305 Q306 N307	D299-A303 PolarHBondContact O-N 2.82Å; A303-L305 VanDerWaalsContact C-N 3.32Å; A303-L305 PolarHBondContact O-N 3.22Å; A303-Q306 PolarHBondContact O-N 3.17Å; A303-N307 PolarHBondContact O-N 2.83Å; A303-N307 VanDerWaalsContact O-N 3.17Å; A303-N307 PolarHBondContact O-ND2 3.32Å
304	W	91.5	Very high	81.5	Confident	31 Å²	31	58.4 Å²	58.4	12%	0.117	31%	0.307	C	S	.	.	H	α-helix	trans	-57.8	-46.3	177.6	175.3	79.7	0	0	0	111.9	F203 Q270 M273 E274 L277 G300 M301 N307 T308	F203-W304 HydrophobicContact CE1-CZ3 4.26Å; Q270-W304 VanDerWaalsContact NE2-CD1 3.28Å; M273-W304 HydrophobicContact CE-CB 4.2Å; M273-W304 HydrophobicContact CE-CD2 3.8Å; M273-W304 HydrophobicContact CE-CE3 4.4Å; M273-W304 HydrophobicContact CE-CG 3.64Å; E274-W304 HydrophobicContact CG-CZ2 3.89Å; E274-W304 PolarHBondContact OE1-NE1 3.34Å; L277-W304 HydrophobicContact CD2-CE3 4.42Å; L277-W304 HydrophobicContact CD2-CH2 3.7Å; L277-W304 HydrophobicContact CD2-CZ3 3.57Å; G300-W304 WeakPolarHBondContact O-CB 3.36Å; G300-W304 PolarHBondContact O-N 2.89Å; G300-W304 VanDerWaalsContact O-N 3.1Å; M301-W304 HydrophobicContact SD-CD2 4.4Å; M301-W304 HydrophobicContact SD-CE3 3.43Å; M301-W304 HydrophobicContact SD-CZ3 3.81Å; W304-N307 PolarHBondContact O-N 3.38Å; W304-T308 HydrophobicContact CH2-CG2 4.45Å; W304-T308 HydrophobicContact CZ2-CG2 3.97Å; W304-T308 WeakPolarHBondContact O-CB 3.37Å; W304-T308 PolarHBondContact O-N 3.37Å; W304-T308 PolarHBondContact O-OG1 3.24Å
305	L	88.9	Confident	80.4	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-61	-50.6	177.8	-85.7	176.6	0	0	0	111.5	F199 Q201 F203 M301 H302 A303 N307 T308 I309 F313	F199-L305 HydrophobicContact CE2-CD1 3.3Å; F199-L305 HydrophobicContact CZ-CD1 3.54Å; Q201-L305 HydrophobicContact CB-CD1 4.26Å; Q201-L305 HydrophobicContact CG-CD1 4.08Å; Q201-L305 HydrophobicContact CG-CD2 4Å; F203-L305 HydrophobicContact CE1-CD2 3.83Å; F203-L305 HydrophobicContact CZ-CD1 4.42Å; F203-L305 HydrophobicContact CZ-CD2 4.08Å; M301-L305 HydrophobicContact CG-CD1 3.9Å; M301-L305 HydrophobicContact CG-CG 4.2Å; M301-L305 WeakPolarHBondContact O-CB 3.49Å; M301-L305 VanDerWaalsContact O-CG 3.27Å; M301-L305 WeakPolarHBondContact O-CG 3.5Å; M301-L305 PolarHBondContact O-N 2.88Å; M301-L305 HydrophobicContact SD-CD1 4.34Å; M301-L305 HydrophobicContact SD-CG 4.11Å; H302-L305 PolarHBondContact O-N 3.35Å; A303-L305 VanDerWaalsContact C-N 3.32Å; A303-L305 PolarHBondContact O-N 3.22Å; L305-N307 PolarHBondContact O-N 2.82Å; L305-N307 VanDerWaalsContact O-N 3.11Å; L305-T308 PolarHBondContact O-N 3.49Å; L305-I309 HydrophobicContact CD2-CD1 3.55Å; L305-I309 HydrophobicContact CD2-CG1 4.14Å; L305-I309 PolarHBondContact O-N 3.17Å; L305-F313 HydrophobicContact CB-CD1 4.45Å; L305-F313 HydrophobicContact CB-CE1 3.53Å; L305-F313 HydrophobicContact CB-CZ 3.85Å; L305-F313 HydrophobicContact CD1-CE1 4.24Å; L305-F313 HydrophobicContact CD2-CE1 4.19Å; L305-F313 HydrophobicContact CG-CE1 4.21Å; L305-F313 WeakPolarHBondContact O-CZ 3.36Å
306	Q	85.3	Confident	80	Confident	82 Å²	82	69 Å²	69	38%	0.383	36%	0.363	S	S	.	.	H	α-helix	trans	-52	-35.8	178.5	-77.2	178.4	-36.7	0	0	112.8	H302 A303 F313	H302-Q306 PolarHBondContact CE1-NE2 3.26Å; H302-Q306 VanDerWaalsContact O-CG 3.31Å; H302-Q306 WeakPolarHBondContact O-CG 3.31Å; H302-Q306 PolarHBondContact O-N 2.66Å; A303-Q306 PolarHBondContact O-N 3.17Å; Q306-F313 HydrophobicContact CG-CE2 4.31Å
307	N	85.9	Confident	79.8	Confident	140 Å²	140	70.9 Å²	70.9	75%	0.749	38%	0.375	S	S	*	.	H	α-helix	trans	-82.4	-26.4	179.3	-66.7	-30.7	0	0	0	113.8	A303 W304 L305	A303-N307 PolarHBondContact O-N 2.83Å; A303-N307 VanDerWaalsContact O-N 3.17Å; A303-N307 PolarHBondContact O-ND2 3.32Å; W304-N307 PolarHBondContact O-N 3.38Å; L305-N307 PolarHBondContact O-N 2.82Å; L305-N307 VanDerWaalsContact O-N 3.11Å
308	T	83.2	Confident	79.8	Confident	74 Å²	74	68.6 Å²	68.6	45%	0.454	37%	0.369	S	S	.	.	H	α-helix	trans	-102	-33	-169.1	-51	0	0	0	0	113.3	W304 L305	W304-T308 HydrophobicContact CH2-CG2 4.45Å; W304-T308 HydrophobicContact CZ2-CG2 3.97Å; W304-T308 WeakPolarHBondContact O-CB 3.37Å; W304-T308 PolarHBondContact O-N 3.37Å; W304-T308 PolarHBondContact O-OG1 3.24Å; L305-T308 PolarHBondContact O-N 3.49Å
309	I	73.6	Confident	79.9	Confident	38 Å²	38	64.5 Å²	64.5	20%	0.195	35%	0.347	C	S	.	.	S	Bend	trans	-117.2	111.8	-176.2	-50.5	-174.8	0	0	0	109.3	L305 H311 F313	L305-I309 HydrophobicContact CD2-CD1 3.55Å; L305-I309 HydrophobicContact CD2-CG1 4.14Å; L305-I309 PolarHBondContact O-N 3.17Å; I309-H311 PolarHBondContact O-N 2.81Å; I309-F313 HydrophobicContact CB-CE1 4.44Å; I309-F313 HydrophobicContact CB-CZ 4.01Å; I309-F313 VanDerWaalsContact O-CE2 3.28Å; I309-F313 WeakPolarHBondContact O-CE2 3.5Å; I309-F313 WeakPolarHBondContact O-CZ 3.5Å
310	P	57.3	Low	79.8	Confident	110 Å²	110	64.1 Å²	64.1	71%	0.714	34%	0.339	S	S	*	.			trans	-63.5	112.2	-178.5	0	2.9	0	0	0	111.8	Q312	P310-Q312 VanDerWaalsContact C-N 3.32Å; P310-Q312 PolarHBondContact O-N 2.79Å
311	H	55.1	Low	79.8	Confident	185 Å²	185	63.8 Å²	63.8	86%	0.856	34%	0.335	S	S	*	.	S	Bend	trans	42.3	35.4	162.6	-59.6	-55.3	0	0	0	118.7	I309	I309-H311 PolarHBondContact O-N 2.81Å
312	Q	56.6	Low	79.8	Confident	137 Å²	137	63.9 Å²	63.9	64%	0.64	34%	0.336	S	S	*	.			trans	-101.7	12.4	171.6	-73.8	-169.1	1.1	0	0	114	P310 S314	P310-Q312 VanDerWaalsContact C-N 3.32Å; P310-Q312 PolarHBondContact O-N 2.79Å; Q312-S314 PolarHBondContact O-N 3.29Å
313	F	61.9	Low	79.9	Confident	53 Å²	53	63.2 Å²	63.2	23%	0.232	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-67.2	121.4	178	-53	-62.4	0	0	0	109.8	L305 Q306 I309 E315	L305-F313 HydrophobicContact CB-CD1 4.45Å; L305-F313 HydrophobicContact CB-CE1 3.53Å; L305-F313 HydrophobicContact CB-CZ 3.85Å; L305-F313 HydrophobicContact CD1-CE1 4.24Å; L305-F313 HydrophobicContact CD2-CE1 4.19Å; L305-F313 HydrophobicContact CG-CE1 4.21Å; L305-F313 WeakPolarHBondContact O-CZ 3.36Å; Q306-F313 HydrophobicContact CG-CE2 4.31Å; I309-F313 HydrophobicContact CB-CE1 4.44Å; I309-F313 HydrophobicContact CB-CZ 4.01Å; I309-F313 VanDerWaalsContact O-CE2 3.28Å; I309-F313 WeakPolarHBondContact O-CE2 3.5Å; I309-F313 WeakPolarHBondContact O-CZ 3.5Å; F313-E315 PolarHBondContact O-N 2.88Å
314	S	60	Low	79.9	Confident	68 Å²	68	62.3 Å²	62.3	48%	0.476	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-66.7	118.4	155.5	42.8	0	0	0	0	107.3	S200 Q312 G316	S200-S314 PolarHBondContact O-OG 3.03Å; Q312-S314 PolarHBondContact O-N 3.29Å; S314-G316 PolarHBondContact O-N 3.46Å
315	E	66.8	Low	79.7	Confident	198 Å²	198	63.3 Å²	63.3	93%	0.925	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-50.3	126.3	177.2	-77.1	-176	159.6	0	0	110.2	F313	F313-E315 PolarHBondContact O-N 2.88Å
316	G	82.2	Confident	79.6	Confident	26 Å²	26	66.3 Å²	66.3	27%	0.268	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-89.6	172.8	-179.5	0	0	0	0	0	112.5	L198 S314	L198-G316 CarbonylContact O-C 3.34Å; L198-G316 WeakPolarHBondContact O-CA 3.41Å; S314-G316 PolarHBondContact O-N 3.46Å
317	T	89.2	Confident	79.7	Confident	44 Å²	44	65 Å²	65	27%	0.27	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	122.6	169.7	-57.9	0	0	0	0	108.5	P173 I197 L198 Y319	P173-T317 HydrophobicContact CB-CG2 3.99Å; P173-T317 HydrophobicContact CG-CG2 4.24Å; I197-T317 WeakPolarHBondContact CA-O 3.28Å; L198-T317 PolarHBondContact N-O 2.89Å; L198-T317 PolarHBondContact O-N 2.88Å; T317-Y319 HydrophobicContact CG2-CD2 4.11Å; T317-Y319 HydrophobicContact CG2-CE2 3.52Å; T317-Y319 WeakPolarHBondContact O-CD2 3.49Å; T317-Y319 WeakPolarHBondContact O-CE2 3.43Å
318	V	91.2	Very high	79.5	Confident	33 Å²	33	58.9 Å²	58.9	20%	0.2	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	134.6	172.6	-178.6	0	0	0	0	108.7	P173 D174 Q195 F196 Y297	P173-V318 WeakPolarHBondContact CA-O 3.18Å; D174-V318 HydrophobicContact CB-CB 4.28Å; D174-V318 HydrophobicContact CB-CG1 4.04Å; D174-V318 PolarHBondContact N-O 3.03Å; Q195-V318 HydrophobicContact CB-CG1 4.1Å; F196-V318 CarbonylContact O-C 3.58Å; F196-V318 VanDerWaalsContact O-CA 3.28Å; F196-V318 WeakPolarHBondContact O-CA 3.43Å; F196-V318 WeakPolarHBondContact O-CG1 3.31Å; Y297-V318 HydrophobicContact CD2-CG2 4.09Å; Y297-V318 HydrophobicContact CE2-CG2 4.03Å; Y297-V318 HydrophobicContact CG-CG2 4.46Å
319	Y	91.5	Very high	79.4	Confident	5 Å²	5	64.6 Å²	64.6	2%	0.02	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144	179	-71	-102.6	0	0	0	110.4	D171 I172 P173 F196 L198 F294 T317	D171-Y319 HydrophobicContact CB-CD1 4.32Å; I172-Y319 VanDerWaalsContact C-CD1 3.47Å; I172-Y319 CarbonylContact O-C 3.51Å; I172-Y319 VanDerWaalsContact O-CA 3.25Å; I172-Y319 WeakPolarHBondContact O-CA 3.3Å; P173-Y319 HydrophobicContact CG-CD1 4.28Å; P173-Y319 HydrophobicContact CG-CE1 3.81Å; F196-Y319 PolarHBondContact N-O 2.89Å; F196-Y319 PolarHBondContact O-N 3.12Å; L198-Y319 HydrophobicContact CB-CD2 4.28Å; L198-Y319 HydrophobicContact CB-CE2 3.68Å; L198-Y319 HydrophobicContact CD2-CE2 4.45Å; F294-Y319 AromaticContact CE2-CD2 3.9Å; F294-Y319 HydrophobicContact CE2-CD2 3.9Å; F294-Y319 HydrophobicContact CE2-CG 4.08Å; T317-Y319 HydrophobicContact CG2-CD2 4.11Å; T317-Y319 HydrophobicContact CG2-CE2 3.52Å; T317-Y319 WeakPolarHBondContact O-CD2 3.49Å; T317-Y319 WeakPolarHBondContact O-CE2 3.43Å
320	R	91.2	Very high	79.9	Confident	80 Å²	80	68.5 Å²	68.5	30%	0.302	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	132.1	167.4	-171.9	170.8	-67.2	-168.6	3.9	108.5	I172 D174 T191 L322	I172-R320 HydrophobicContact CG2-CB 4.29Å; I172-R320 PolarHBondContact N-O 2.79Å; I172-R320 PolarHBondContact O-N 3.19Å; D174-R320 IonicContact OD1-CZ 3.68Å; D174-R320 IonicContact OD1-NE 2.93Å; D174-R320 PolarHBondContact OD1-NE 2.74Å; D174-R320 IonicContact OD1-NH2 3.64Å; D174-R320 PolarHBondContact OD1-NH2 2.85Å; D174-R320 IonicContact OD2-NH2 3.5Å; T191-R320 HydrophobicContact CG2-CG 3.48Å; T191-R320 VanDerWaalsContact CG2-CG 3.48Å; R320-L322 HydrophobicContact CG-CD2 3.9Å
321	R	91.6	Very high	81.3	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.008	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	122.9	174	-176.9	166.6	-74.6	-179.3	-3.3	109.9	T169 D171 T191 D192 F196 H323 Q344	T169-R321 HydrophobicContact CG2-CG 3.49Å; T169-R321 VanDerWaalsContact CG2-CG 3.49Å; D171-R321 VanDerWaalsContact OD1-CB 3.3Å; D171-R321 WeakPolarHBondContact OD1-CB 3.32Å; D171-R321 VanDerWaalsContact OD1-CG 3.32Å; D171-R321 WeakPolarHBondContact OD1-CG 3.32Å; D171-R321 IonicContact OD1-CZ 2.58Å; D171-R321 IonicContact OD1-NE 3.75Å; D171-R321 PolarHBondContact OD1-NE 3.49Å; D171-R321 IonicContact OD1-NH2 2.65Å; D171-R321 PolarHBondContact OD1-NH2 2.93Å; D171-R321 IonicContact OD2-CZ 3.62Å; D171-R321 IonicContact OD2-NE 2.7Å; D171-R321 IonicContact OD2-NH2 3.23Å; D171-R321 PolarHBondContact OD2-NH2 3.2Å; T191-R321 WeakPolarHBondContact CA-O 3.27Å; D192-R321 HydrophobicContact CB-CB 4.38Å; D192-R321 PolarHBondContact N-O 2.67Å; F196-R321 HydrophobicContact CD2-CB 4.09Å; F196-R321 HydrophobicContact CE2-CB 3.62Å; F196-R321 HydrophobicContact CE2-CG 4.48Å; R321-H323 WeakPolarHBondContact CG-NE2 3.31Å; R321-Q344 PolarHBondContact NH1-O 2.98Å
322	L	92.5	Very high	83.1	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	147.3	176.8	-47.2	179.6	0	0	0	110.3	T169 Y170 I172 F182 F188 L190 T191 R320	T169-L322 CarbonylContact C-O 2.94Å; T169-L322 WeakPolarHBondContact CA-O 3.49Å; Y170-L322 PolarHBondContact N-O 2.89Å; Y170-L322 PolarHBondContact O-N 3.13Å; I172-L322 HydrophobicContact CG2-CD1 3.83Å; I172-L322 HydrophobicContact CG2-CG 3.99Å; F182-L322 HydrophobicContact CB-CD1 3.94Å; F188-L322 HydrophobicContact CB-CB 3.82Å; F188-L322 HydrophobicContact CB-CD1 4.14Å; F188-L322 HydrophobicContact CD1-CB 3.92Å; F188-L322 HydrophobicContact CG-CB 4.25Å; L190-L322 CarbonylContact O-C 3.6Å; L190-L322 WeakPolarHBondContact O-CA 3.25Å; T191-L322 HydrophobicContact CG2-CD2 4.29Å; T191-L322 WeakPolarHBondContact OG1-CD2 3.32Å; R320-L322 HydrophobicContact CG-CD2 3.9Å
323	H	91.8	Very high	84.8	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	150	176	-50.3	-90.7	0	0	0	111	V168 T169 F188 I189 L190 R321 C326 P328	V168-H323 WeakPolarHBondContact O-CA 3.45Å; T169-H323 PolarHBondContact OG1-CE1 3.48Å; T169-H323 PolarHBondContact OG1-ND1 2.79Å; F188-H323 CarbonylContact C-O 3.47Å; F188-H323 WeakPolarHBondContact CA-O 3.47Å; I189-H323 PolarHBondContact N-O 2.84Å; L190-H323 HydrophobicContact CB-CB 4.15Å; L190-H323 PolarHBondContact N-O 2.85Å; L190-H323 PolarHBondContact O-N 2.89Å; R321-H323 WeakPolarHBondContact CG-NE2 3.31Å; H323-C326 VanDerWaalsContact CB-O 3.25Å; H323-C326 WeakPolarHBondContact CB-O 3.48Å; H323-C326 VanDerWaalsContact CG-O 3.29Å; H323-C326 PolarHBondContact ND1-O 2.75Å; H323-P328 WeakPolarHBondContact CE1-CD 3.42Å
324	T	90.6	Very high	86.3	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-80	-33.4	176.5	56.7	0	0	0	0	113.8	F149 F162 V168 G187 F188	F149-T324 HydrophobicContact CE1-CG2 4.44Å; F149-T324 HydrophobicContact CZ-CG2 3.98Å; F162-T324 HydrophobicContact CE1-CG2 4.23Å; F162-T324 WeakPolarHBondContact CE1-OG1 3.37Å; F162-T324 HydrophobicContact CE2-CG2 4.17Å; F162-T324 HydrophobicContact CZ-CG2 3.78Å; F162-T324 WeakPolarHBondContact CZ-OG1 3.15Å; V168-T324 HydrophobicContact CB-CG2 4.18Å; V168-T324 PolarHBondContact N-OG1 3.25Å; V168-T324 PolarHBondContact O-N 2.81Å; G187-T324 VanDerWaalsContact O-CA 3.29Å; G187-T324 WeakPolarHBondContact O-CA 3.37Å; F188-T324 HydrophobicContact CD1-CG2 3.91Å; F188-T324 HydrophobicContact CD2-CG2 4.21Å; F188-T324 HydrophobicContact CE1-CG2 3.89Å; F188-T324 HydrophobicContact CE2-CG2 4.19Å; F188-T324 HydrophobicContact CG-CG2 4.08Å; F188-T324 HydrophobicContact CZ-CG2 4.04Å
325	R	87.4	Confident	88	Confident	51 Å²	51	54 Å²	54	19%	0.192	26%	0.261	C	S	.	.	S	Bend	trans	-136.9	-42.1	-171.4	-69.5	-62.3	179.3	-91.3	-3.7	116.3	H136 F162 R166 N167 L190	H136-R325 PolarHBondContact CD2-NH2 3.12Å; H136-R325 PolarHBondContact NE2-NH1 2.88Å; H136-R325 PolarHBondContact NE2-NH2 3.36Å; H136-R325 VanDerWaalsContact NE2-NH2 3.12Å; F162-R325 HydrophobicContact CD1-CG 4.1Å; F162-R325 HydrophobicContact CE1-CG 4.07Å; F162-R325 PolarHBondContact O-NE 2.76Å; F162-R325 PolarHBondContact O-NH2 3.42Å; R166-R325 WeakPolarHBondContact O-CB 3.24Å; R166-R325 WeakPolarHBondContact O-CG 3.17Å; N167-R325 PolarHBondContact OD1-N 2.9Å; L190-R325 WeakPolarHBondContact CD1-O 3.47Å
326	C	87.5	Confident	89.2	Confident	64 Å²	64	44.7 Å²	44.7	43%	0.432	22%	0.218	S	C	.	.			trans	-140.4	147.8	-178.3	65.5	0	0	0	0	111.7	N167 H323	N167-C326 PolarHBondContact ND2-O 3.15Å; N167-C326 PolarHBondContact ND2-SG 2.49Å; N167-C326 VanDerWaalsContact ND2-SG 3.36Å; N167-C326 PolarHBondContact OD1-N 2.94Å; N167-C326 PolarHBondContact OD1-O 3.24Å; H323-C326 VanDerWaalsContact CB-O 3.25Å; H323-C326 WeakPolarHBondContact CB-O 3.48Å; H323-C326 VanDerWaalsContact CG-O 3.29Å; H323-C326 PolarHBondContact ND1-O 2.75Å
327	I	86.5	Confident	89.8	Confident	54 Å²	54	44.8 Å²	44.8	28%	0.277	21%	0.211	S	C	.	.			trans	-89.9	121	166.9	-60.2	165.2	0	0	0	106	L190 T191 D192 K329	L190-I327 HydrophobicContact CB-CG1 4.2Å; L190-I327 HydrophobicContact CD1-CG1 4.35Å; T191-I327 VanDerWaalsContact O-CD1 3.27Å; T191-I327 WeakPolarHBondContact O-CD1 3.48Å; D192-I327 HydrophobicContact CB-CG2 4.34Å; I327-K329 WeakPolarHBondContact O-CG 3.44Å; I327-K329 PolarHBondContact O-N 3.24Å
328	P	82	Confident	89.9	Confident	12 Å²	12	42.7 Å²	42.7	8%	0.078	20%	0.198	C	C	.	.			trans	-53.5	124	175	-27.9	36.7	0	0	0	111.2	H323 I331 I345 A346	H323-P328 WeakPolarHBondContact CE1-CD 3.42Å; P328-I331 HydrophobicContact CB-CD1 3.74Å; P328-I331 HydrophobicContact CB-CG1 4.45Å; P328-I345 HydrophobicContact CG-CB 4.5Å; P328-I345 WeakPolarHBondContact CG-O 3.27Å; P328-A346 WeakPolarHBondContact CB-O 3.19Å
329	K	80.8	Confident	89.6	Confident	194 Å²	194	41.1 Å²	41.1	84%	0.843	19%	0.189	S	C	*	.			trans	-106.2	-11.7	-176.1	-63.7	-171.4	-177.5	177	0	113.8	I327 I331	I327-K329 WeakPolarHBondContact O-CG 3.44Å; I327-K329 PolarHBondContact O-N 3.24Å; K329-I331 VanDerWaalsContact C-N 3.33Å
330	Q	84.3	Confident	88.7	Confident	120 Å²	120	41.5 Å²	41.5	56%	0.561	19%	0.192	S	C	*	.			trans	-84	-13.1	-172.5	-58.5	-170.1	13.1	0	0	113	G237 R332	G237-Q330 PolarHBondContact O-OE1 2.92Å; Q330-R332 PolarHBondContact O-N 2.86Å
331	I	87.7	Confident	87.7	Confident	11 Å²	11	38.2 Å²	38.2	6%	0.056	18%	0.18	C	C	.	.			trans	-68.5	122	-177.5	-55.7	157.7	0	0	0	110.3	V235 P328 K329 W333 V336 Q344	V235-I331 CarbonylContact O-C 3.55Å; V235-I331 WeakPolarHBondContact O-CA 3.12Å; P328-I331 HydrophobicContact CB-CD1 3.74Å; P328-I331 HydrophobicContact CB-CG1 4.45Å; K329-I331 VanDerWaalsContact C-N 3.33Å; I331-W333 HydrophobicContact CB-CD2 4.24Å; I331-W333 HydrophobicContact CB-CG 4.44Å; I331-W333 HydrophobicContact CB-CZ2 4.23Å; I331-W333 HydrophobicContact CD1-CH2 4.14Å; I331-W333 HydrophobicContact CD1-CZ2 3.51Å; I331-W333 HydrophobicContact CG1-CZ2 4.48Å; I331-W333 HydrophobicContact CG2-CD2 3.59Å; I331-W333 HydrophobicContact CG2-CE3 3.88Å; I331-W333 HydrophobicContact CG2-CG 4.01Å; I331-W333 HydrophobicContact CG2-CH2 4.27Å; I331-W333 HydrophobicContact CG2-CZ2 3.99Å; I331-W333 HydrophobicContact CG2-CZ3 4.21Å; I331-W333 VanDerWaalsContact O-CD1 3.3Å; I331-W333 PolarHBondContact O-N 2.88Å; I331-V336 HydrophobicContact CG2-CG2 4.2Å; I331-Q344 HydrophobicContact CD1-CB 3.86Å; I331-Q344 WeakPolarHBondContact CD1-O 3.31Å; I331-Q344 HydrophobicContact CG1-CB 4.41Å; I331-Q344 HydrophobicContact CG2-CB 4.37Å
332	R	92.2	Very high	86.3	Confident	91 Å²	91	38.2 Å²	38.2	34%	0.343	18%	0.181	S	C	.	.			trans	-75.2	73.8	169.5	-63.9	-63.5	-60.5	-86.4	-8	109.8	E234 V235 Q330 D334 Y335	E234-R332 VanDerWaalsContact O-CG 3.26Å; E234-R332 WeakPolarHBondContact O-CG 3.25Å; V235-R332 PolarHBondContact O-N 3.08Å; Q330-R332 PolarHBondContact O-N 2.86Å; R332-D334 VanDerWaalsContact C-OD1 3.27Å; R332-D334 WeakPolarHBondContact CA-OD1 3.3Å; R332-D334 WeakPolarHBondContact CB-OD1 3.5Å; R332-D334 IonicContact CZ-OD1 3.03Å; R332-D334 IonicContact CZ-OD2 2.87Å; R332-D334 IonicContact NE-OD1 3.44Å; R332-D334 PolarHBondContact NE-OD1 3.1Å; R332-D334 VanDerWaalsContact NE-OD1 3.12Å; R332-D334 IonicContact NE-OD2 2.86Å; R332-D334 IonicContact NH2-OD1 2.97Å; R332-D334 IonicContact NH2-OD2 3.21Å; R332-D334 PolarHBondContact NH2-OD2 2.91Å; R332-D334 PolarHBondContact O-N 3.32Å; R332-D334 VanDerWaalsContact O-N 3.13Å; R332-Y335 HydrophobicContact CB-CD2 4.15Å; R332-Y335 HydrophobicContact CB-CG 4.29Å; R332-Y335 VanDerWaalsContact NH2-CZ 3.28Å; R332-Y335 PolarHBondContact NH2-OH 2.78Å; R332-Y335 VanDerWaalsContact NH2-OH 3.17Å; R332-Y335 WeakPolarHBondContact O-CB 3.24Å; R332-Y335 PolarHBondContact O-N 3.21Å
333	W	91.8	Very high	85.1	Confident	18 Å²	18	42.3 Å²	42.3	7%	0.068	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-57.9	-25.4	-179.6	-69.9	110.6	0	0	0	113.2	R194 F196 I296 I331 Y335 V336 Q344	R194-W333 VanDerWaalsContact CZ-CG 3.5Å; R194-W333 VanDerWaalsContact NE-CG 3.3Å; F196-W333 AromaticContact CE1-CH2 3.62Å; F196-W333 HydrophobicContact CE1-CH2 3.62Å; F196-W333 AromaticContact CE1-CZ3 3.77Å; F196-W333 HydrophobicContact CE1-CZ3 3.77Å; F196-W333 AromaticContact CZ-CH2 3.67Å; F196-W333 HydrophobicContact CZ-CH2 3.67Å; F196-W333 HydrophobicContact CZ-CZ2 4.19Å; F196-W333 HydrophobicContact CZ-CZ3 4.25Å; I296-W333 HydrophobicContact CD1-CB 4.3Å; I296-W333 HydrophobicContact CD1-CD2 4.32Å; I296-W333 HydrophobicContact CD1-CE3 3.68Å; I296-W333 HydrophobicContact CD1-CZ3 4.37Å; I296-W333 HydrophobicContact CG1-CE3 4.17Å; I296-W333 HydrophobicContact CG1-CZ3 4.38Å; I331-W333 HydrophobicContact CB-CD2 4.24Å; I331-W333 HydrophobicContact CB-CG 4.44Å; I331-W333 HydrophobicContact CB-CZ2 4.23Å; I331-W333 HydrophobicContact CD1-CH2 4.14Å; I331-W333 HydrophobicContact CD1-CZ2 3.51Å; I331-W333 HydrophobicContact CG1-CZ2 4.48Å; I331-W333 HydrophobicContact CG2-CD2 3.59Å; I331-W333 HydrophobicContact CG2-CE3 3.88Å; I331-W333 HydrophobicContact CG2-CG 4.01Å; I331-W333 HydrophobicContact CG2-CH2 4.27Å; I331-W333 HydrophobicContact CG2-CZ2 3.99Å; I331-W333 HydrophobicContact CG2-CZ3 4.21Å; I331-W333 VanDerWaalsContact O-CD1 3.3Å; I331-W333 PolarHBondContact O-N 2.88Å; W333-Y335 PolarHBondContact O-N 2.96Å; W333-V336 HydrophobicContact CE3-CB 4.02Å; W333-V336 HydrophobicContact CE3-CG1 4.17Å; W333-V336 HydrophobicContact CE3-CG2 4.11Å; W333-V336 HydrophobicContact CZ3-CB 4.48Å; W333-V336 HydrophobicContact CZ3-CG1 4.15Å; W333-V336 PolarHBondContact O-N 3.23Å; W333-V336 VanDerWaalsContact O-N 3.11Å; W333-Q344 HydrophobicContact CH2-CB 3.9Å; W333-Q344 HydrophobicContact CZ3-CB 4.29Å; W333-Q344 HydrophobicContact CZ3-CG 4.48Å
334	D	93.4	Very high	83.9	Confident	94 Å²	94	42.3 Å²	42.3	50%	0.503	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-60.5	-21.7	171.1	56.2	-49.1	0	0	0	113.3	R332	R332-D334 VanDerWaalsContact C-OD1 3.27Å; R332-D334 WeakPolarHBondContact CA-OD1 3.3Å; R332-D334 WeakPolarHBondContact CB-OD1 3.5Å; R332-D334 IonicContact CZ-OD1 3.03Å; R332-D334 IonicContact CZ-OD2 2.87Å; R332-D334 IonicContact NE-OD1 3.44Å; R332-D334 PolarHBondContact NE-OD1 3.1Å; R332-D334 VanDerWaalsContact NE-OD1 3.12Å; R332-D334 IonicContact NE-OD2 2.86Å; R332-D334 IonicContact NH2-OD1 2.97Å; R332-D334 IonicContact NH2-OD2 3.21Å; R332-D334 PolarHBondContact NH2-OD2 2.91Å; R332-D334 PolarHBondContact O-N 3.32Å; R332-D334 VanDerWaalsContact O-N 3.13Å
335	Y	95	Very high	82.6	Confident	34 Å²	34	42.4 Å²	42.4	13%	0.133	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-98.8	-6.7	176.9	-65.2	-3.7	0	0	0	113.3	F231 E234 V235 Y266 A267 K268 R332 W333	F231-Y335 HydrophobicContact CE2-CD2 4.29Å; F231-Y335 HydrophobicContact CZ-CD2 4.45Å; E234-Y335 WeakPolarHBondContact OE1-CE2 3.19Å; V235-Y335 HydrophobicContact CG2-CD2 4.05Å; Y266-Y335 CarbonylContact C-O 3.5Å; Y266-Y335 WeakPolarHBondContact CA-O 3.34Å; A267-Y335 PolarHBondContact N-O 3.11Å; A267-Y335 VanDerWaalsContact O-CA 3.27Å; A267-Y335 WeakPolarHBondContact O-CA 3.36Å; A267-Y335 WeakPolarHBondContact O-CB 3.31Å; K268-Y335 HydrophobicContact CB-CE1 4.41Å; K268-Y335 HydrophobicContact CG-CD2 4.32Å; K268-Y335 HydrophobicContact CG-CE1 4.44Å; K268-Y335 HydrophobicContact CG-CE2 3.87Å; R332-Y335 HydrophobicContact CB-CD2 4.15Å; R332-Y335 HydrophobicContact CB-CG 4.29Å; R332-Y335 VanDerWaalsContact NH2-CZ 3.28Å; R332-Y335 PolarHBondContact NH2-OH 2.78Å; R332-Y335 VanDerWaalsContact NH2-OH 3.17Å; R332-Y335 WeakPolarHBondContact O-CB 3.24Å; R332-Y335 PolarHBondContact O-N 3.21Å; W333-Y335 PolarHBondContact O-N 2.96Å
336	V	93.6	Very high	81	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	102.7	-173.1	-179.6	0	0	0	0	110.6	V235 Y266 I331 W333 A339	V235-V336 HydrophobicContact CG1-CG2 3.76Å; Y266-V336 HydrophobicContact CD1-CB 4.42Å; Y266-V336 HydrophobicContact CD1-CG1 4.3Å; Y266-V336 HydrophobicContact CD1-CG2 4.11Å; Y266-V336 HydrophobicContact CE1-CB 4.46Å; Y266-V336 HydrophobicContact CE1-CG1 4.01Å; Y266-V336 HydrophobicContact CE1-CG2 4Å; I331-V336 HydrophobicContact CG2-CG2 4.2Å; W333-V336 HydrophobicContact CE3-CB 4.02Å; W333-V336 HydrophobicContact CE3-CG1 4.17Å; W333-V336 HydrophobicContact CE3-CG2 4.11Å; W333-V336 HydrophobicContact CZ3-CB 4.48Å; W333-V336 HydrophobicContact CZ3-CG1 4.15Å; W333-V336 PolarHBondContact O-N 3.23Å; W333-V336 VanDerWaalsContact O-N 3.11Å; V336-A339 HydrophobicContact CG1-CB 3.98Å
337	Y	94.7	Very high	80.6	Confident	29 Å²	29	40.3 Å²	40.3	11%	0.114	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-42.7	175.7	-69.8	-91.8	0	0	0	112.3	L265 A267 S269 Q270 M273 S295 M301	L265-Y337 PolarHBondContact O-N 3.12Å; A267-Y337 HydrophobicContact CB-CD2 4.05Å; A267-Y337 HydrophobicContact CB-CE2 3.86Å; S269-Y337 VanDerWaalsContact C-OH 3.26Å; Q270-Y337 VanDerWaalsContact CA-OH 3.25Å; Q270-Y337 WeakPolarHBondContact CA-OH 3.39Å; Q270-Y337 HydrophobicContact CB-CE1 4.44Å; Q270-Y337 PolarHBondContact N-OH 3.04Å; M273-Y337 HydrophobicContact CB-CD1 4.22Å; M273-Y337 HydrophobicContact CB-CD2 3.83Å; M273-Y337 HydrophobicContact CB-CE1 4.28Å; M273-Y337 HydrophobicContact CB-CE2 3.89Å; M273-Y337 HydrophobicContact CB-CG 4Å; M273-Y337 HydrophobicContact CE-CD1 3.76Å; M273-Y337 HydrophobicContact CE-CE1 3.91Å; M273-Y337 HydrophobicContact CE-CG 4.5Å; M273-Y337 HydrophobicContact CG-CD1 3.72Å; M273-Y337 HydrophobicContact CG-CD2 3.8Å; M273-Y337 HydrophobicContact CG-CE1 4.24Å; M273-Y337 HydrophobicContact CG-CE2 4.31Å; M273-Y337 HydrophobicContact CG-CG 3.48Å; M273-Y337 VanDerWaalsContact CG-CG 3.48Å; M273-Y337 HydrophobicContact SD-CD1 4.41Å; S295-Y337 PolarHBondContact OG-O 3.29Å; M301-Y337 WeakPolarHBondContact CB-O 3.39Å; M301-Y337 PolarHBondContact N-O 3.06Å
338	A	91.7	Very high	80.3	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	139.2	167.4	0	0	0	0	0	109.6	I262 C264 L265 L293 F294	I262-A338 HydrophobicContact CG2-CB 3.68Å; C264-A338 CarbonylContact C-O 3.52Å; C264-A338 VanDerWaalsContact CA-O 3.27Å; C264-A338 WeakPolarHBondContact CA-O 3.32Å; L265-A338 HydrophobicContact CB-CB 3.78Å; L265-A338 PolarHBondContact N-O 3.1Å; L265-A338 PolarHBondContact O-N 3.25Å; L265-A338 VanDerWaalsContact O-N 3.13Å; L293-A338 HydrophobicContact CD1-CB 4.34Å; F294-A338 CarbonylContact O-C 3.52Å; F294-A338 WeakPolarHBondContact O-CA 3.41Å
339	A	83.4	Confident	80.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-115.8	162.4	-178.4	0	0	0	0	0	110	M263 F294 V336 Q344	M263-A339 CarbonylContact O-C 3.53Å; F294-A339 WeakPolarHBondContact CB-O 3.21Å; F294-A339 HydrophobicContact CD1-CB 3.92Å; F294-A339 PolarHBondContact O-N 3.14Å; V336-A339 HydrophobicContact CG1-CB 3.98Å; A339-Q344 VanDerWaalsContact CA-NE2 3.34Å; A339-Q344 VanDerWaalsContact CB-OE1 3.25Å
340	S	73.2	Confident	80.2	Confident	12 Å²	12	32.1 Å²	32.1	8%	0.084	15%	0.15	C	C	.	.			trans	-107.3	139.8	166.5	175.6	0	0	0	0	105.5	M263 G342 W343 Q344	M263-S340 VanDerWaalsContact O-CA 3.29Å; M263-S340 WeakPolarHBondContact O-CA 3.21Å; M263-S340 WeakPolarHBondContact O-CB 3.42Å; M263-S340 PolarHBondContact O-N 2.87Å; S340-G342 PolarHBondContact O-N 2.98Å; S340-W343 WeakPolarHBondContact O-CB 3.17Å; S340-W343 PolarHBondContact O-N 2.87Å; S340-Q344 PolarHBondContact O-OE1 3.23Å
341	I	69.5	Low	79.9	Confident	11 Å²	11	26.6 Å²	26.6	6%	0.056	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49	128.5	173.3	-69.5	178	0	0	0	108.6	V24 Y88 D171 F294 W343	V24-I341 HydrophobicContact CG1-CD1 4.23Å; V24-I341 HydrophobicContact CG1-CG2 4.09Å; Y88-I341 HydrophobicContact CE1-CG2 3.91Å; Y88-I341 HydrophobicContact CE2-CG2 4.38Å; Y88-I341 VanDerWaalsContact CZ-CG2 3.49Å; Y88-I341 WeakPolarHBondContact OH-CG2 3.33Å; D171-I341 HydrophobicContact CB-CG2 4.1Å; F294-I341 HydrophobicContact CB-CG1 4.42Å; F294-I341 HydrophobicContact CD1-CG1 3.93Å; F294-I341 HydrophobicContact CD2-CD1 4.26Å; F294-I341 HydrophobicContact CD2-CG1 3.83Å; F294-I341 HydrophobicContact CE1-CG1 3.96Å; F294-I341 HydrophobicContact CE2-CD1 4.31Å; F294-I341 HydrophobicContact CE2-CG1 3.85Å; F294-I341 HydrophobicContact CG-CG1 3.84Å; F294-I341 HydrophobicContact CZ-CG1 3.88Å; I341-W343 PolarHBondContact O-N 2.83Å; I341-W343 VanDerWaalsContact O-N 3.12Å
342	G	63.7	Low	79.4	Confident	3 Å²	3	27.6 Å²	27.6	3%	0.031	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	-0.1	-178.8	0	0	0	0	0	118.4	D171 S340 I345	D171-G342 PolarHBondContact OD2-N 3.33Å; D171-G342 VanDerWaalsContact OD2-N 3.15Å; S340-G342 PolarHBondContact O-N 2.98Å; G342-I345 WeakPolarHBondContact O-CD1 3.44Å; G342-I345 VanDerWaalsContact O-CG1 3.27Å; G342-I345 WeakPolarHBondContact O-CG1 3.49Å
343	W	65.7	Low	78.5	Confident	88 Å²	88	23.1 Å²	23.1	33%	0.333	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-30.2	-172.7	-162.9	-123.8	0	0	0	112.9	R240 S340 I341 I345	R240-W343 PolarHBondContact NH1-O 3.35Å; R240-W343 VanDerWaalsContact NH2-CD1 3.26Å; S340-W343 WeakPolarHBondContact O-CB 3.17Å; S340-W343 PolarHBondContact O-N 2.87Å; I341-W343 PolarHBondContact O-N 2.83Å; I341-W343 VanDerWaalsContact O-N 3.12Å; W343-I345 PolarHBondContact O-N 2.61Å
344	Q	68.3	Low	77.5	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-98.1	73.6	175.8	-57.6	76.4	15.7	0	0	109.7	Y266 R321 I331 W333 A339 S340	Y266-Q344 VanDerWaalsContact OH-CG 3.29Å; Y266-Q344 WeakPolarHBondContact OH-CG 3.35Å; Y266-Q344 PolarHBondContact OH-NE2 2.91Å; R321-Q344 PolarHBondContact NH1-O 2.98Å; I331-Q344 HydrophobicContact CD1-CB 3.86Å; I331-Q344 WeakPolarHBondContact CD1-O 3.31Å; I331-Q344 HydrophobicContact CG1-CB 4.41Å; I331-Q344 HydrophobicContact CG2-CB 4.37Å; W333-Q344 HydrophobicContact CH2-CB 3.9Å; W333-Q344 HydrophobicContact CZ3-CB 4.29Å; W333-Q344 HydrophobicContact CZ3-CG 4.48Å; A339-Q344 VanDerWaalsContact CA-NE2 3.34Å; A339-Q344 VanDerWaalsContact CB-OE1 3.25Å; S340-Q344 PolarHBondContact O-OE1 3.23Å
345	I	61.9	Low	76.2	Confident	2 Å²	2	17.6 Å²	17.6	1%	0.01	9%	0.085	C	C	.	.			trans	-133.7	15.6	-176.9	67.4	168.3	0	0	0	114.7	I82 Y88 T169 P328 G342 W343	I82-I345 HydrophobicContact CD1-CD1 4.09Å; I82-I345 HydrophobicContact CD1-CG1 4.37Å; I82-I345 HydrophobicContact CG1-CD1 3.41Å; I82-I345 VanDerWaalsContact CG1-CD1 3.41Å; I82-I345 HydrophobicContact CG1-CG1 3.66Å; Y88-I345 HydrophobicContact CD2-CD1 4.26Å; Y88-I345 HydrophobicContact CG-CD1 4.38Å; T169-I345 HydrophobicContact CG2-CG2 3.65Å; P328-I345 HydrophobicContact CG-CB 4.5Å; P328-I345 WeakPolarHBondContact CG-O 3.27Å; G342-I345 WeakPolarHBondContact O-CD1 3.44Å; G342-I345 VanDerWaalsContact O-CG1 3.27Å; G342-I345 WeakPolarHBondContact O-CG1 3.49Å; W343-I345 PolarHBondContact O-N 2.61Å
346	A	53.3	Low	74.4	Confident	29 Å²	29	16.1 Å²	16.1	24%	0.24	8%	0.081	C	C	.	.			trans	-88.3	0	-180	0	0	0	0	0	113.1	V236 E238 P328	V236-A346 HydrophobicContact CG1-CB 3.86Å; E238-A346 HydrophobicContact CB-CB 3.67Å; E238-A346 VanDerWaalsContact CD-CB 3.48Å; E238-A346 HydrophobicContact CG-CB 3.62Å; E238-A346 WeakPolarHBondContact OE2-CB 3.5Å; P328-A346 WeakPolarHBondContact CB-O 3.19Å

Retrieved 346 of 346 residues in 198.8 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).