A0A077YWV5_TRITR Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YWV5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 316 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	Very low	42.5	Very low	245 Å²	245	171.1 Å²	171.1	100%	1.207	79%	0.791	S	S	*	*				0	128.5	0	-73.6	167.6	121.8	0	0	107.5
2	M	33.8	Very low	43.2	Very low	171 Å²	171	162.9 Å²	162.9	84%	0.842	77%	0.765	S	S	*	*			cis	-142.3	119.8	37.7	-68.7	162.8	123	0	0	110.2	S4	M2-S4 VanDerWaalsContact C-N 3.33Å; M2-S4 PolarHBondContact O-N 3.23Å
3	L	35.1	Very low	44.2	Very low	188 Å²	188	160.5 Å²	160.5	98%	0.984	75%	0.75	S	S	*	*			trans	-77.2	85.4	154.9	-90.5	147.9	0	0	0	106.9
4	S	41.9	Very low	45.2	Very low	76 Å²	76	156.4 Å²	156.4	53%	0.531	74%	0.735	S	S	.	*			trans	-162.7	90.4	167.3	63.7	0	0	0	0	110	M2	M2-S4 VanDerWaalsContact C-N 3.33Å; M2-S4 PolarHBondContact O-N 3.23Å
5	W	36.9	Very low	46.3	Very low	197 Å²	197	152.5 Å²	152.5	75%	0.746	72%	0.72	S	S	*	*	S	Bend	trans	-167.8	29.2	155.7	-116.5	43.6	0	0	0	116.1
6	N	43.5	Very low	47	Very low	147 Å²	147	150.1 Å²	150.1	79%	0.786	71%	0.712	S	S	*	*	S	Bend	trans	-114.6	3.6	170.6	-86.2	-14.5	0	0	0	114.9
7	Y	47.1	Very low	47.5	Very low	204 Å²	204	145.8 Å²	145.8	80%	0.8	70%	0.698	S	S	*	*	S	Bend	trans	-86.5	-24.9	178.5	-91.8	-93.9	0	0	0	114.6	V9	Y7-V9 PolarHBondContact O-N 3.4Å
8	K	47.7	Very low	48	Very low	176 Å²	176	143.8 Å²	143.8	77%	0.765	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-20.6	-173.1	-79.3	-168.5	174.5	-170.7	0	115.4	P12	K8-P12 WeakPolarHBondContact O-CD 3.36Å
9	V	51	Low	48.2	Very low	102 Å²	102	141.4 Å²	141.4	62%	0.618	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-22.7	-174	-173.3	0	0	0	0	113	Y7	Y7-V9 PolarHBondContact O-N 3.4Å
10	R	51.5	Low	48.4	Very low	195 Å²	195	139.6 Å²	139.6	74%	0.736	68%	0.678	S	S	*	*	H	α-helix	trans	-76.8	-35	-178.7	-81.5	-175.1	167.7	-177.5	-4.1	113.9	L14	R10-L14 PolarHBondContact O-N 3.26Å
11	W	48.8	Very low	48.2	Very low	181 Å²	181	138.2 Å²	138.2	69%	0.686	67%	0.674	S	S	*	*	H	α-helix	trans	-63.9	-47.7	-176.6	-94	37.6	0	0	0	115.3	F13 L14 I15	W11-F13 VanDerWaalsContact C-N 3.34Å; W11-F13 PolarHBondContact O-N 3.04Å; W11-L14 PolarHBondContact O-N 3.01Å; W11-I15 WeakPolarHBondContact O-CD1 3.42Å; W11-I15 VanDerWaalsContact O-CG1 3.24Å; W11-I15 WeakPolarHBondContact O-CG1 3.31Å; W11-I15 PolarHBondContact O-N 3.48Å
12	P	51.1	Low	48.8	Very low	73 Å²	73	130 Å²	130	47%	0.474	64%	0.638	S	S	.	*	H	α-helix	trans	-66.5	-35.5	-177.8	23.7	-32.7	0	0	0	112.6	K8 L16	K8-P12 WeakPolarHBondContact O-CD 3.36Å; P12-L16 WeakPolarHBondContact O-CB 3.5Å; P12-L16 PolarHBondContact O-N 3.44Å
13	F	56.4	Low	49	Very low	131 Å²	131	125.1 Å²	125.1	58%	0.575	63%	0.631	S	S	*	*	H	α-helix	trans	-66.2	-45.3	176.1	-87.4	-84.1	0	0	0	112.1	W11 I15 L16 T17	W11-F13 VanDerWaalsContact C-N 3.34Å; W11-F13 PolarHBondContact O-N 3.04Å; F13-I15 PolarHBondContact O-N 2.87Å; F13-L16 PolarHBondContact O-N 2.93Å; F13-T17 PolarHBondContact O-N 3.29Å; F13-T17 PolarHBondContact O-OG1 3Å
14	L	58.2	Low	49.1	Very low	104 Å²	104	121 Å²	121	55%	0.545	61%	0.614	S	S	.	*	H	α-helix	trans	-59.8	-46	176.6	-95.7	156.3	0	0	0	111.7	R10 W11 T17 L18	R10-L14 PolarHBondContact O-N 3.26Å; W11-L14 PolarHBondContact O-N 3.01Å; L14-T17 WeakPolarHBondContact CA-OG1 3.22Å; L14-T17 PolarHBondContact O-N 3.34Å; L14-T17 PolarHBondContact O-OG1 3.1Å; L14-L18 WeakPolarHBondContact O-CB 3.47Å; L14-L18 PolarHBondContact O-N 3.16Å
15	I	61.8	Low	48.9	Very low	97 Å²	97	126.8 Å²	126.8	50%	0.497	63%	0.625	S	S	.	*	H	α-helix	trans	-62.4	-44.3	178.7	-65.2	164.7	0	0	0	110.6	W11 F13 T17 L18 V19	W11-I15 WeakPolarHBondContact O-CD1 3.42Å; W11-I15 VanDerWaalsContact O-CG1 3.24Å; W11-I15 WeakPolarHBondContact O-CG1 3.31Å; W11-I15 PolarHBondContact O-N 3.48Å; F13-I15 PolarHBondContact O-N 2.87Å; I15-T17 PolarHBondContact O-N 2.88Å; I15-L18 PolarHBondContact O-N 3.2Å; I15-V19 HydrophobicContact CG2-CG2 4.33Å; I15-V19 VanDerWaalsContact O-CG2 3.29Å; I15-V19 WeakPolarHBondContact O-CG2 3.45Å; I15-V19 PolarHBondContact O-N 3.24Å
16	L	57.8	Low	48.7	Very low	115 Å²	115	126.9 Å²	126.9	60%	0.602	63%	0.627	S	S	*	*	H	α-helix	trans	-63.8	-43.8	-179.6	-152.3	89.8	0	0	0	111.9	P12 F13 L18 V19 I20	P12-L16 WeakPolarHBondContact O-CB 3.5Å; P12-L16 PolarHBondContact O-N 3.44Å; F13-L16 PolarHBondContact O-N 2.93Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-V19 PolarHBondContact O-N 2.89Å; L16-I20 HydrophobicContact CG-CD1 4.48Å; L16-I20 WeakPolarHBondContact O-CG1 3.33Å; L16-I20 PolarHBondContact O-N 3.22Å
17	T	55.6	Low	48.7	Very low	77 Å²	77	122.2 Å²	122.2	47%	0.472	61%	0.614	S	S	.	*	H	α-helix	trans	-65	-36.9	174.3	36.7	0	0	0	0	112.5	F13 L14 I15 I20 L21	F13-T17 PolarHBondContact O-N 3.29Å; F13-T17 PolarHBondContact O-OG1 3Å; L14-T17 WeakPolarHBondContact CA-OG1 3.22Å; L14-T17 PolarHBondContact O-N 3.34Å; L14-T17 PolarHBondContact O-OG1 3.1Å; I15-T17 PolarHBondContact O-N 2.88Å; T17-I20 PolarHBondContact O-N 3.47Å; T17-L21 WeakPolarHBondContact O-CB 3.43Å; T17-L21 PolarHBondContact O-N 3.28Å
18	L	55	Low	48.7	Very low	110 Å²	110	117.4 Å²	117.4	58%	0.576	60%	0.602	S	S	*	*	H	α-helix	trans	-66.3	-41.8	178	-137.8	101	0	0	0	111.1	L14 I15 L16 I20 L21 V22	L14-L18 WeakPolarHBondContact O-CB 3.47Å; L14-L18 PolarHBondContact O-N 3.16Å; I15-L18 PolarHBondContact O-N 3.2Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L18-I20 VanDerWaalsContact C-N 3.34Å; L18-I20 PolarHBondContact O-N 2.97Å; L18-L21 PolarHBondContact O-N 3.07Å; L18-V22 VanDerWaalsContact O-CB 3.27Å; L18-V22 WeakPolarHBondContact O-CB 3.27Å; L18-V22 WeakPolarHBondContact O-CG2 3.43Å; L18-V22 PolarHBondContact O-N 3.17Å
19	V	53.3	Low	49.2	Very low	97 Å²	97	113.3 Å²	113.3	59%	0.588	59%	0.592	S	S	*	*	H	α-helix	trans	-65.2	-37.6	178.7	173.1	0	0	0	0	111.5	I15 L16 G23	I15-V19 HydrophobicContact CG2-CG2 4.33Å; I15-V19 VanDerWaalsContact O-CG2 3.29Å; I15-V19 WeakPolarHBondContact O-CG2 3.45Å; I15-V19 PolarHBondContact O-N 3.24Å; L16-V19 PolarHBondContact O-N 2.89Å; V19-G23 PolarHBondContact O-N 3.47Å
20	I	51.2	Low	50	Low	105 Å²	105	111 Å²	111	54%	0.538	58%	0.576	S	S	.	*	H	α-helix	trans	-71.9	-39.9	178	-64.2	166.7	0	0	0	111.5	L16 T17 L18 T24	L16-I20 HydrophobicContact CG-CD1 4.48Å; L16-I20 WeakPolarHBondContact O-CG1 3.33Å; L16-I20 PolarHBondContact O-N 3.22Å; T17-I20 PolarHBondContact O-N 3.47Å; L18-I20 VanDerWaalsContact C-N 3.34Å; L18-I20 PolarHBondContact O-N 2.97Å; I20-T24 WeakPolarHBondContact O-CG2 3.49Å; I20-T24 PolarHBondContact O-N 3.4Å; I20-T24 PolarHBondContact O-OG1 3.43Å
21	L	44.5	Very low	51.2	Low	111 Å²	111	102 Å²	102	58%	0.581	54%	0.543	S	S	*	.	H	α-helix	trans	-69.8	-42.6	176.3	-86.4	157.1	0	0	0	112.1	T17 L18 T24 Y25	T17-L21 WeakPolarHBondContact O-CB 3.43Å; T17-L21 PolarHBondContact O-N 3.28Å; L18-L21 PolarHBondContact O-N 3.07Å; L21-T24 PolarHBondContact O-N 3.44Å; L21-T24 PolarHBondContact O-OG1 2.89Å; L21-Y25 PolarHBondContact O-N 2.87Å
22	V	43.7	Very low	52.7	Low	74 Å²	74	93.7 Å²	93.7	45%	0.448	51%	0.512	S	S	.	.	H	α-helix	trans	-69	-37.2	177.5	175.1	0	0	0	0	111	L18 T24 Y26	L18-V22 VanDerWaalsContact O-CB 3.27Å; L18-V22 WeakPolarHBondContact O-CB 3.27Å; L18-V22 WeakPolarHBondContact O-CG2 3.43Å; L18-V22 PolarHBondContact O-N 3.17Å; V22-T24 VanDerWaalsContact C-N 3.29Å; V22-T24 PolarHBondContact O-N 2.77Å; V22-Y26 HydrophobicContact CG1-CD2 4.03Å; V22-Y26 HydrophobicContact CG1-CE2 4.21Å
23	G	37.3	Very low	54	Low	68 Å²	68	90.4 Å²	90.4	70%	0.701	49%	0.491	S	S	*	.	H	α-helix	trans	-69.3	-21.3	178.9	0	0	0	0	0	114.8	V19	V19-G23 PolarHBondContact O-N 3.47Å
24	T	37.6	Very low	54.8	Low	102 Å²	102	84.1 Å²	84.1	63%	0.626	46%	0.463	S	S	*	.	H	α-helix	trans	-97.2	-23.5	-179.7	47.8	0	0	0	0	113.8	I20 L21 V22	I20-T24 WeakPolarHBondContact O-CG2 3.49Å; I20-T24 PolarHBondContact O-N 3.4Å; I20-T24 PolarHBondContact O-OG1 3.43Å; L21-T24 PolarHBondContact O-N 3.44Å; L21-T24 PolarHBondContact O-OG1 2.89Å; V22-T24 VanDerWaalsContact C-N 3.29Å; V22-T24 PolarHBondContact O-N 2.77Å
25	Y	36.3	Very low	55.5	Low	197 Å²	197	83.8 Å²	83.8	77%	0.773	46%	0.457	S	S	*	.	H	α-helix	trans	-92.2	-14.6	-172.7	-122.8	-94	0	0	0	115.7	L21	L21-Y25 PolarHBondContact O-N 2.87Å
26	Y	34	Very low	55.8	Low	198 Å²	198	80.9 Å²	80.9	78%	0.776	44%	0.442	S	S	*	.			trans	-97.6	17.1	-172.1	-86.7	-77.8	0	0	0	116	V22 D28	V22-Y26 HydrophobicContact CG1-CD2 4.03Å; V22-Y26 HydrophobicContact CG1-CE2 4.21Å; Y26-D28 PolarHBondContact O-N 3.03Å
27	G	42	Very low	56.2	Low	50 Å²	50	78.9 Å²	78.9	52%	0.515	43%	0.429	S	S	.	.	S	Bend	trans	-85	96.3	163.3	0	0	0	0	0	109.2	T29	G27-T29 PolarHBondContact O-N 3.2Å
28	D	47	Very low	56.3	Low	103 Å²	103	78.8 Å²	78.8	55%	0.551	44%	0.443	S	S	*	.			trans	-42.2	104.3	164.3	-101.2	-10.9	0	0	0	107.8	Y26 N30 V31 K35	Y26-D28 PolarHBondContact O-N 3.03Å; D28-N30 PolarHBondContact O-N 3.05Å; D28-V31 HydrophobicContact CB-CG2 4.16Å; D28-V31 WeakPolarHBondContact O-CG2 3.46Å; D28-K35 IonicContact OD2-NZ 2.84Å; D28-K35 PolarHBondContact OD2-NZ 3.31Å; D28-K35 VanDerWaalsContact OD2-NZ 3.07Å
29	T	58.9	Low	56.5	Low	89 Å²	89	83.4 Å²	83.4	55%	0.546	46%	0.459	S	S	.	.	S	Bend	trans	-72.3	-8.6	-176.6	48.5	0	0	0	0	112.1	G27 Q216	G27-T29 PolarHBondContact O-N 3.2Å; T29-Q216 VanDerWaalsContact O-CA 3.27Å; T29-Q216 WeakPolarHBondContact O-CA 3.2Å
30	N	67.9	Low	57.1	Low	55 Å²	55	80.5 Å²	80.5	29%	0.294	44%	0.439	S	S	.	.	S	Bend	trans	-128.2	80.2	-179.9	-70.8	-27.8	0	0	0	108.8	D28 P214	D28-N30 PolarHBondContact O-N 3.05Å; N30-P214 HydrophobicContact CB-CB 3.72Å; N30-P214 HydrophobicContact CB-CG 4.4Å
31	V	77.2	Confident	57.9	Low	5 Å²	5	78.5 Å²	78.5	3%	0.03	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-85.8	123.5	175.1	178.4	0	0	0	0	109.1	D28 K35 M215 C218 I220	D28-V31 HydrophobicContact CB-CG2 4.16Å; D28-V31 WeakPolarHBondContact O-CG2 3.46Å; V31-K35 HydrophobicContact CG1-CB 4.4Å; V31-K35 HydrophobicContact CG1-CD 4.28Å; V31-M215 HydrophobicContact CB-CE 3.84Å; V31-M215 HydrophobicContact CG1-CE 3.42Å; V31-M215 VanDerWaalsContact CG1-CE 3.42Å; V31-M215 PolarHBondContact N-O 2.82Å; V31-M215 WeakPolarHBondContact O-CE 3.44Å; V31-M215 PolarHBondContact O-N 3.15Å; V31-C218 HydrophobicContact CB-CB 4.48Å; V31-I220 HydrophobicContact CB-CD1 4.35Å; V31-I220 HydrophobicContact CG1-CD1 3.26Å; V31-I220 HydrophobicContact CG1-CG1 3.59Å; V31-I220 HydrophobicContact CG2-CD1 4.13Å; V31-I220 HydrophobicContact CG2-CG1 4.23Å
32	C	80.6	Confident	59.3	Low	7 Å²	7	76.2 Å²	76.2	5%	0.047	42%	0.415	C	S	.	.			trans	-68.1	129.8	170	-71.7	0	0	0	0	111.1	Q34 K35 C51	C32-Q34 PolarHBondContact O-N 2.85Å; C32-K35 WeakPolarHBondContact O-CB 3.34Å; C32-K35 PolarHBondContact O-N 3.16Å; C32-C51 WeakPolarHBondContact CA-SG 3.32Å; C32-C51 HydrophobicContact CB-CB 3.54Å; C32-C51 WeakPolarHBondContact CB-SG 3.29Å; C32-C51 WeakPolarHBondContact SG-CB 3.3Å; C32-C51 CovalentContact SG-SG 2.04Å; C32-C51 PolarHBondContact SG-SG 2.86Å
33	P	77.5	Confident	60.9	Low	3 Å²	3	74.3 Å²	74.3	2%	0.019	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-42.8	-36.8	175.8	-36.1	39.8	0	0	0	114.1	K35 I36 T79 A212 K213 M215 Y235	P33-K35 VanDerWaalsContact C-N 3.32Å; P33-K35 PolarHBondContact O-N 3.13Å; P33-I36 WeakPolarHBondContact O-CB 3.45Å; P33-I36 WeakPolarHBondContact O-CD1 3.48Å; P33-I36 VanDerWaalsContact O-CG1 3.29Å; P33-I36 WeakPolarHBondContact O-CG1 3.46Å; P33-I36 PolarHBondContact O-N 2.93Å; P33-T79 WeakPolarHBondContact CB-O 3.31Å; P33-A212 HydrophobicContact CG-CB 3.92Å; P33-K213 WeakPolarHBondContact CD-O 3.42Å; P33-K213 WeakPolarHBondContact CG-O 3.37Å; P33-M215 HydrophobicContact CB-SD 4.48Å; P33-M215 HydrophobicContact CG-CG 3.94Å; P33-M215 HydrophobicContact CG-SD 4.25Å; P33-Y235 HydrophobicContact CB-CD1 3.58Å; P33-Y235 HydrophobicContact CB-CE1 3.59Å; P33-Y235 HydrophobicContact CG-CD1 4.12Å
34	Q	73.2	Confident	62.9	Low	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-79.4	-11.7	-172.7	-51.6	99.9	-36.1	0	0	113.8	C32 I36 K37 L40 L42 C51 S53 T79	C32-Q34 PolarHBondContact O-N 2.85Å; Q34-I36 PolarHBondContact O-N 2.84Å; Q34-K37 CarbonylContact O-C 3.59Å; Q34-K37 PolarHBondContact O-N 3.37Å; Q34-K37 VanDerWaalsContact O-O 3.14Å; Q34-L40 HydrophobicContact CB-CD1 4.36Å; Q34-L40 HydrophobicContact CG-CD1 4.45Å; Q34-L42 HydrophobicContact CB-CD1 4.34Å; Q34-L42 HydrophobicContact CB-CD2 3.22Å; Q34-L42 HydrophobicContact CB-CG 4.37Å; Q34-L42 HydrophobicContact CG-CD2 4.26Å; Q34-C51 PolarHBondContact NE2-O 3.03Å; Q34-S53 PolarHBondContact NE2-OG 3Å; Q34-T79 HydrophobicContact CG-CG2 3.32Å
35	K	73	Confident	64.6	Low	97 Å²	97	69.9 Å²	69.9	42%	0.422	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-61.3	-22.3	170.7	-79	-171.2	176.8	-178.8	0	112.1	D28 V31 C32 P33 K37 L42 I220	D28-K35 IonicContact OD2-NZ 2.84Å; D28-K35 PolarHBondContact OD2-NZ 3.31Å; D28-K35 VanDerWaalsContact OD2-NZ 3.07Å; V31-K35 HydrophobicContact CG1-CB 4.4Å; V31-K35 HydrophobicContact CG1-CD 4.28Å; C32-K35 WeakPolarHBondContact O-CB 3.34Å; C32-K35 PolarHBondContact O-N 3.16Å; P33-K35 VanDerWaalsContact C-N 3.32Å; P33-K35 PolarHBondContact O-N 3.13Å; K35-K37 VanDerWaalsContact C-N 3.33Å; K35-L42 HydrophobicContact CB-CD1 4.46Å; K35-L42 HydrophobicContact CG-CD1 4.05Å; K35-I220 HydrophobicContact CB-CD1 3.87Å; K35-I220 HydrophobicContact CD-CD1 3.81Å
36	I	68.1	Low	66.3	Low	36 Å²	36	67.5 Å²	67.5	19%	0.185	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-70.3	-31.2	176.1	-54.7	169.8	0	0	0	110.7	P33 Q34 M215 E223 C225 Y235	P33-I36 WeakPolarHBondContact O-CB 3.45Å; P33-I36 WeakPolarHBondContact O-CD1 3.48Å; P33-I36 VanDerWaalsContact O-CG1 3.29Å; P33-I36 WeakPolarHBondContact O-CG1 3.46Å; P33-I36 PolarHBondContact O-N 2.93Å; Q34-I36 PolarHBondContact O-N 2.84Å; I36-M215 HydrophobicContact CD1-CE 4.05Å; I36-M215 HydrophobicContact CD1-SD 4.4Å; I36-E223 WeakPolarHBondContact CG2-O 3.44Å; I36-C225 HydrophobicContact CD1-CB 3.49Å; I36-C225 VanDerWaalsContact CD1-CB 3.49Å; I36-C225 HydrophobicContact CG1-CB 4.21Å; I36-Y235 HydrophobicContact CD1-CD1 4.39Å; I36-Y235 HydrophobicContact CD1-CE1 4.42Å
37	K	66	Low	68	Low	73 Å²	73	63.8 Å²	63.8	32%	0.317	35%	0.351	S	S	.	.	S	Bend	trans	-111.1	94.3	-175	-65.1	-169.3	172.3	-179.4	0	110.1	Q34 K35 K39 E78	Q34-K37 CarbonylContact O-C 3.59Å; Q34-K37 PolarHBondContact O-N 3.37Å; Q34-K37 VanDerWaalsContact O-O 3.14Å; K35-K37 VanDerWaalsContact C-N 3.33Å; K37-K39 PolarHBondContact O-N 2.82Å; K37-E78 WeakPolarHBondContact CD-OE2 3.4Å; K37-E78 WeakPolarHBondContact CE-OE2 3.37Å; K37-E78 IonicContact NZ-OE1 3.23Å; K37-E78 PolarHBondContact NZ-OE1 2.94Å; K37-E78 IonicContact NZ-OE2 2.81Å; K37-E78 PolarHBondContact NZ-OE2 3.19Å
38	G	57.6	Low	69.3	Low	75 Å²	75	65.2 Å²	65.2	77%	0.773	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	13	-171.3	0	0	0	0	0	118.4
39	K	60.7	Low	70.7	Confident	207 Å²	207	63.9 Å²	63.9	90%	0.9	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	1.9	-174.5	-67.6	-172.3	179.3	-178.7	0	115.4	K37	K37-K39 PolarHBondContact O-N 2.82Å
40	L	65	Low	71.7	Confident	35 Å²	35	60.4 Å²	60.4	18%	0.183	32%	0.321	C	S	.	.	S	Bend	trans	-111.7	145.3	-173.3	-57.8	171.6	0	0	0	111.1	Q34 L42 W54 H55	Q34-L40 HydrophobicContact CB-CD1 4.36Å; Q34-L40 HydrophobicContact CG-CD1 4.45Å; L40-L42 HydrophobicContact CB-CD2 3.68Å; L40-L42 WeakPolarHBondContact O-CG 3.42Å; L40-L42 PolarHBondContact O-N 3.17Å; L40-W54 WeakPolarHBondContact CD2-O 3.42Å; L40-H55 VanDerWaalsContact CD1-CE1 3.42Å; L40-H55 WeakPolarHBondContact CD1-CE1 3.39Å; L40-H55 VanDerWaalsContact CD2-CE1 3.44Å; L40-H55 WeakPolarHBondContact CD2-CE1 3.34Å; L40-H55 WeakPolarHBondContact CD2-ND1 3.49Å
41	F	67.2	Low	72.5	Confident	64 Å²	64	57.8 Å²	57.8	28%	0.281	31%	0.307	S	S	.	.			trans	-70	125.7	163.1	177.6	-94	0	0	0	107.5	H43 S53 W54 Q102 M103 A106	F41-H43 HydrophobicContact CE1-CB 4.13Å; F41-S53 WeakPolarHBondContact O-CA 3.23Å; F41-W54 HydrophobicContact CB-CG 4.23Å; F41-Q102 HydrophobicContact CZ-CB 4.1Å; F41-M103 HydrophobicContact CD1-CG 4.28Å; F41-M103 HydrophobicContact CE1-CB 3.81Å; F41-M103 HydrophobicContact CE1-CG 4.01Å; F41-A106 HydrophobicContact CD2-CB 4.15Å; F41-A106 HydrophobicContact CE2-CB 3.92Å; F41-A106 HydrophobicContact CZ-CB 4.13Å
42	L	73.8	Confident	73	Confident	62 Å²	62	57.6 Å²	57.6	33%	0.325	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.5	-174	-50.4	-175	0	0	0	109.2	Q34 K35 L40	Q34-L42 HydrophobicContact CB-CD1 4.34Å; Q34-L42 HydrophobicContact CB-CD2 3.22Å; Q34-L42 HydrophobicContact CB-CG 4.37Å; Q34-L42 HydrophobicContact CG-CD2 4.26Å; K35-L42 HydrophobicContact CB-CD1 4.46Å; K35-L42 HydrophobicContact CG-CD1 4.05Å; L40-L42 HydrophobicContact CB-CD2 3.68Å; L40-L42 WeakPolarHBondContact O-CG 3.42Å; L40-L42 PolarHBondContact O-N 3.17Å
43	H	78.2	Confident	73.2	Confident	34 Å²	34	57.2 Å²	57.2	16%	0.157	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.5	170.2	-178.9	81.4	0	0	0	109.8	F41 L52 P100 Q102	F41-H43 HydrophobicContact CE1-CB 4.13Å; H43-L52 HydrophobicContact CB-CB 4.36Å; H43-L52 PolarHBondContact N-O 3.36Å; H43-L52 PolarHBondContact O-N 2.89Å; H43-P100 VanDerWaalsContact CD2-CG 3.5Å; H43-P100 WeakPolarHBondContact CD2-CG 3.37Å; H43-P100 WeakPolarHBondContact NE2-CB 3.24Å; H43-Q102 PolarHBondContact CE1-OE1 2.93Å; H43-Q102 PolarHBondContact ND1-OE1 3.26Å
44	H	78.4	Confident	73.5	Confident	59 Å²	59	57.8 Å²	57.8	27%	0.273	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	104.6	170.9	-176.8	-163.3	0	0	0	108.6	Q46	H44-Q46 PolarHBondContact O-N 2.93Å; H44-Q46 VanDerWaalsContact O-N 3.09Å
45	D	74.4	Confident	73.9	Confident	18 Å²	18	58.5 Å²	58.5	10%	0.096	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	89.1	170.8	-176	-11.6	0	0	0	108.2	P47 N48 N49 A50	D45-P47 WeakPolarHBondContact OD1-CD 3.5Å; D45-N48 PolarHBondContact O-N 3.38Å; D45-N48 PolarHBondContact OD1-N 3.39Å; D45-N48 PolarHBondContact OD1-ND2 3.43Å; D45-N48 PolarHBondContact OD2-ND2 3.08Å; D45-N49 WeakPolarHBondContact O-CA 3.46Å; D45-N49 PolarHBondContact O-N 3.31Å; D45-A50 HydrophobicContact CB-CB 4.33Å; D45-A50 PolarHBondContact N-O 3.45Å; D45-A50 PolarHBondContact O-N 3.13Å
46	Q	71.6	Confident	74.2	Confident	148 Å²	148	58.5 Å²	58.5	69%	0.692	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-45	-180	-68.9	179.2	-25.3	0	0	112.7	H44 N48 N49	H44-Q46 PolarHBondContact O-N 2.93Å; H44-Q46 VanDerWaalsContact O-N 3.09Å; Q46-N48 VanDerWaalsContact C-N 3.31Å; Q46-N48 PolarHBondContact O-N 3.03Å; Q46-N49 PolarHBondContact O-N 3.22Å; Q46-N49 VanDerWaalsContact O-N 3.15Å
47	P	70.4	Confident	74.3	Confident	119 Å²	119	57.5 Å²	57.5	77%	0.773	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-43	175.5	-28.5	33.3	0	0	0	114.4	D45	D45-P47 WeakPolarHBondContact OD1-CD 3.5Å
48	N	69.2	Low	74.2	Confident	80 Å²	80	62.7 Å²	62.7	43%	0.428	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	4	-179.5	-64.1	-48.3	0	0	0	113.8	D45 Q46 A50 H97	D45-N48 PolarHBondContact O-N 3.38Å; D45-N48 PolarHBondContact OD1-N 3.39Å; D45-N48 PolarHBondContact OD1-ND2 3.43Å; D45-N48 PolarHBondContact OD2-ND2 3.08Å; Q46-N48 VanDerWaalsContact C-N 3.31Å; Q46-N48 PolarHBondContact O-N 3.03Å; N48-A50 HydrophobicContact CB-CB 4.28Å; N48-A50 PolarHBondContact O-N 2.91Å; N48-H97 PolarHBondContact ND2-CE1 2.88Å; N48-H97 VanDerWaalsContact ND2-CE1 3.31Å
49	N	75.6	Confident	74.3	Confident	75 Å²	75	60.9 Å²	60.9	40%	0.401	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	47	46.5	-174.1	-169.1	44	0	0	0	111.9	D45 Q46 P214	D45-N49 WeakPolarHBondContact O-CA 3.46Å; D45-N49 PolarHBondContact O-N 3.31Å; Q46-N49 PolarHBondContact O-N 3.22Å; Q46-N49 VanDerWaalsContact O-N 3.15Å; N49-P214 WeakPolarHBondContact O-CD 3.49Å; N49-P214 WeakPolarHBondContact OD1-CG 3.46Å
50	A	79.9	Confident	74.2	Confident	17 Å²	17	57.9 Å²	57.9	14%	0.14	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.7	-172.4	0	0	0	0	0	111.7	D45 N48 L52	D45-A50 HydrophobicContact CB-CB 4.33Å; D45-A50 PolarHBondContact N-O 3.45Å; D45-A50 PolarHBondContact O-N 3.13Å; N48-A50 HydrophobicContact CB-CB 4.28Å; N48-A50 PolarHBondContact O-N 2.91Å; A50-L52 HydrophobicContact CB-CD2 4.34Å
51	C	85.7	Confident	73.7	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	108.6	174	-69.8	0	0	0	0	109.7	C32 Q34 A211 A212	C32-C51 WeakPolarHBondContact CA-SG 3.32Å; C32-C51 HydrophobicContact CB-CB 3.54Å; C32-C51 WeakPolarHBondContact CB-SG 3.29Å; C32-C51 WeakPolarHBondContact SG-CB 3.3Å; C32-C51 CovalentContact SG-SG 2.04Å; C32-C51 PolarHBondContact SG-SG 2.86Å; Q34-C51 PolarHBondContact NE2-O 3.03Å; C51-A211 WeakPolarHBondContact O-CA 3.4Å; C51-A212 WeakPolarHBondContact CB-O 3.23Å; C51-A212 PolarHBondContact N-O 3.41Å; C51-A212 PolarHBondContact O-N 2.83Å
52	L	86.3	Confident	73.2	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	138.4	-179	-51.7	-176.1	0	0	0	110.7	H43 A50 P100 M103 V209 C210 A211	H43-L52 HydrophobicContact CB-CB 4.36Å; H43-L52 PolarHBondContact N-O 3.36Å; H43-L52 PolarHBondContact O-N 2.89Å; A50-L52 HydrophobicContact CB-CD2 4.34Å; L52-P100 HydrophobicContact CD1-CG 3.55Å; L52-M103 HydrophobicContact CB-SD 4.18Å; L52-M103 HydrophobicContact CD1-SD 4.15Å; L52-V209 HydrophobicContact CB-CG1 4.31Å; L52-C210 WeakPolarHBondContact CA-O 3.49Å; L52-A211 HydrophobicContact CD2-CB 3.76Å
53	S	85.9	Confident	72.6	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	133	169.6	59.1	0	0	0	0	110	Q34 F41 H55 C210	Q34-S53 PolarHBondContact NE2-OG 3Å; F41-S53 WeakPolarHBondContact O-CA 3.23Å; S53-H55 PolarHBondContact OG-NE2 2.92Å; S53-C210 PolarHBondContact N-O 3.39Å; S53-C210 PolarHBondContact O-N 3.24Å
54	W	83.7	Confident	71.7	Confident	14 Å²	14	66.6 Å²	66.6	5%	0.053	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	156.8	170.2	72.3	-18.7	0	0	0	113.1	L40 F41 Y56 M103 V107 K110 M207 F208 V209	L40-W54 WeakPolarHBondContact CD2-O 3.42Å; F41-W54 HydrophobicContact CB-CG 4.23Å; W54-Y56 HydrophobicContact CH2-CE2 4.21Å; W54-Y56 AromaticContact CH2-CZ 3.8Å; W54-Y56 WeakPolarHBondContact CH2-OH 3.4Å; W54-Y56 HydrophobicContact CZ2-CE2 4.11Å; W54-Y56 HydrophobicContact CZ3-CE2 4.42Å; W54-Y56 AromaticContact CZ3-CZ 3.87Å; W54-Y56 WeakPolarHBondContact CZ3-OH 3.39Å; W54-M103 HydrophobicContact CB-CE 3.51Å; W54-M103 HydrophobicContact CG-CE 4.31Å; W54-V107 HydrophobicContact CE3-CG2 3.53Å; W54-V107 HydrophobicContact CH2-CG2 4.43Å; W54-V107 HydrophobicContact CZ3-CB 4.06Å; W54-V107 HydrophobicContact CZ3-CG1 4.4Å; W54-V107 HydrophobicContact CZ3-CG2 3.47Å; W54-V107 VanDerWaalsContact CZ3-CG2 3.47Å; W54-K110 HydrophobicContact CH2-CB 4.42Å; W54-K110 HydrophobicContact CH2-CD 3.5Å; W54-K110 HydrophobicContact CZ2-CD 3.81Å; W54-M207 HydrophobicContact CE3-SD 4.15Å; W54-M207 HydrophobicContact CZ3-SD 3.8Å; W54-F208 WeakPolarHBondContact CA-O 3.48Å; W54-V209 HydrophobicContact CB-CG2 4.39Å
55	H	81.8	Confident	71	Confident	16 Å²	16	69.8 Å²	69.8	7%	0.074	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	150.6	-179.2	-66.7	-98.3	0	0	0	110.1	L40 S53 M207 F208 C210	L40-H55 VanDerWaalsContact CD1-CE1 3.42Å; L40-H55 WeakPolarHBondContact CD1-CE1 3.39Å; L40-H55 VanDerWaalsContact CD2-CE1 3.44Å; L40-H55 WeakPolarHBondContact CD2-CE1 3.34Å; L40-H55 WeakPolarHBondContact CD2-ND1 3.49Å; S53-H55 PolarHBondContact OG-NE2 2.92Å; H55-M207 WeakPolarHBondContact O-CA 3.46Å; H55-F208 HydrophobicContact CB-CD1 4.09Å; H55-F208 HydrophobicContact CB-CD2 4.07Å; H55-F208 HydrophobicContact CB-CE1 3.5Å; H55-F208 VanDerWaalsContact CB-CE1 3.5Å; H55-F208 HydrophobicContact CB-CE2 3.52Å; H55-F208 HydrophobicContact CB-CG 4.35Å; H55-F208 HydrophobicContact CB-CZ 3.22Å; H55-F208 AromaticContact CD2-CE2 3.97Å; H55-F208 AromaticContact CG-CE2 3.84Å; H55-F208 AromaticContact CG-CZ 3.86Å; H55-F208 PolarHBondContact N-O 3.02Å; H55-F208 PolarHBondContact O-N 3.29Å; H55-F208 VanDerWaalsContact O-N 3.15Å; H55-C210 PolarHBondContact CD2-SG 3.39Å
56	Y	77.9	Confident	70.8	Confident	97 Å²	97	73 Å²	73	38%	0.38	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	139.7	170.8	-68.9	-82.9	0	0	0	109.8	W54 S206 M207	W54-Y56 HydrophobicContact CH2-CE2 4.21Å; W54-Y56 AromaticContact CH2-CZ 3.8Å; W54-Y56 WeakPolarHBondContact CH2-OH 3.4Å; W54-Y56 HydrophobicContact CZ2-CE2 4.11Å; W54-Y56 HydrophobicContact CZ3-CE2 4.42Å; W54-Y56 AromaticContact CZ3-CZ 3.87Å; W54-Y56 WeakPolarHBondContact CZ3-OH 3.39Å; Y56-S206 VanDerWaalsContact CA-O 3.29Å; Y56-S206 WeakPolarHBondContact CA-O 3.35Å; Y56-M207 HydrophobicContact CD1-CG 3.61Å; Y56-M207 HydrophobicContact CD1-SD 4.23Å; Y56-M207 HydrophobicContact CE1-CG 3.58Å; Y56-M207 HydrophobicContact CE1-SD 3.55Å; Y56-M207 VanDerWaalsContact CE1-SD 3.55Å
57	L	72.1	Confident	70.8	Confident	15 Å²	15	66.2 Å²	66.2	8%	0.079	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-95.8	120.6	160.6	-66.7	-178.3	0	0	0	108.5	K67 E70 F205 S206 F208	L57-K67 HydrophobicContact CD1-CB 3.81Å; L57-K67 HydrophobicContact CD1-CD 4.21Å; L57-K67 HydrophobicContact CD1-CG 4.17Å; L57-E70 HydrophobicContact CD2-CG 4.08Å; L57-F205 HydrophobicContact CD1-CD2 4.16Å; L57-F205 HydrophobicContact CD1-CE2 3.31Å; L57-F205 HydrophobicContact CD1-CZ 3.61Å; L57-F205 HydrophobicContact CG-CE2 4.23Å; L57-S206 PolarHBondContact N-O 3.01Å; L57-F208 HydrophobicContact CD1-CE1 4.41Å; L57-F208 HydrophobicContact CD2-CD1 4.46Å; L57-F208 HydrophobicContact CD2-CE1 3.59Å; L57-F208 HydrophobicContact CD2-CZ 4.27Å; L57-F208 HydrophobicContact CG-CD1 4.04Å; L57-F208 HydrophobicContact CG-CE1 3.62Å
58	E	63.8	Low	71	Confident	181 Å²	181	61.2 Å²	61.2	85%	0.846	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-83.6	133.8	167.8	-68.9	-175.1	176	0	0	109.4
59	G	59.7	Low	71.3	Confident	37 Å²	37	62.5 Å²	62.5	38%	0.381	32%	0.318	S	S	.	.			trans	124.3	136.3	171.9	0	0	0	0	0	114.9	K67	G59-K67 PolarHBondContact O-NZ 3.23Å
60	N	56.8	Low	71.5	Confident	145 Å²	145	62.6 Å²	62.6	78%	0.775	32%	0.316	S	S	*	.	S	Bend	trans	-91.2	-13.7	-177.7	-66.8	-12	0	0	0	113.7
61	N	55.2	Low	71.6	Confident	154 Å²	154	61.8 Å²	61.8	82%	0.824	31%	0.309	S	S	*	.			trans	-119.1	26.7	-155.6	-68.5	-1	0	0	0	116.2
62	F	56.9	Low	71.4	Confident	109 Å²	109	64.6 Å²	64.6	48%	0.478	32%	0.323	S	S	.	.			trans	-107.5	137.7	174.7	-63.1	-73.1	0	0	0	110.9	N66 K67	F62-N66 HydrophobicContact CB-CB 4.46Å; F62-K67 HydrophobicContact CB-CD 4.28Å; F62-K67 HydrophobicContact CB-CG 3.6Å
63	L	60.7	Low	71.2	Confident	110 Å²	110	69.9 Å²	69.9	58%	0.576	35%	0.348	S	S	*	.			trans	-52.2	140.1	163.1	-65.8	171.8	0	0	0	108.8	E65 N66 K67	L63-E65 PolarHBondContact O-N 3.48Å; L63-N66 WeakPolarHBondContact O-CB 3.48Å; L63-N66 PolarHBondContact O-N 3.1Å; L63-N66 VanDerWaalsContact O-N 3.08Å; L63-K67 PolarHBondContact O-N 3.36Å
64	F	61	Low	71.1	Confident	4 Å²	4	71.5 Å²	71.5	2%	0.018	36%	0.357	C	S	.	.	H	α-helix	trans	-53.9	-40.7	-176.6	174	-81.3	0	0	0	113.3	N66 K67 Y68 L116 C182 C200 V203 F205	F64-N66 VanDerWaalsContact C-N 3.25Å; F64-N66 PolarHBondContact O-N 3.15Å; F64-K67 CarbonylContact O-C 3.53Å; F64-K67 WeakPolarHBondContact O-CA 3.26Å; F64-K67 WeakPolarHBondContact O-CB 3.5Å; F64-K67 PolarHBondContact O-N 2.99Å; F64-Y68 AromaticContact CE1-CD2 3.89Å; F64-Y68 HydrophobicContact CE1-CD2 3.89Å; F64-Y68 AromaticContact CE1-CG 3.97Å; F64-Y68 HydrophobicContact CE1-CG 3.97Å; F64-Y68 AromaticContact CZ-CD2 3.74Å; F64-Y68 HydrophobicContact CZ-CD2 3.74Å; F64-Y68 HydrophobicContact CZ-CG 4.23Å; F64-Y68 WeakPolarHBondContact O-CB 3.35Å; F64-Y68 PolarHBondContact O-N 3Å; F64-L116 HydrophobicContact CE2-CD1 4Å; F64-L116 HydrophobicContact CZ-CD1 3.75Å; F64-C182 HydrophobicContact CD2-CB 4.21Å; F64-C182 WeakPolarHBondContact CD2-SG 3.48Å; F64-C182 HydrophobicContact CE1-CB 3.96Å; F64-C182 WeakPolarHBondContact CE1-SG 3.35Å; F64-C182 HydrophobicContact CE2-CB 3.35Å; F64-C182 WeakPolarHBondContact CE2-SG 3.45Å; F64-C182 HydrophobicContact CZ-CB 3.23Å; F64-C182 WeakPolarHBondContact CZ-SG 3.41Å; F64-C200 HydrophobicContact CB-CB 4.04Å; F64-C200 WeakPolarHBondContact CB-O 3.42Å; F64-C200 HydrophobicContact CD1-CB 3.28Å; F64-C200 WeakPolarHBondContact CD1-SG 3.01Å; F64-C200 HydrophobicContact CD2-CB 4.44Å; F64-C200 HydrophobicContact CE1-CB 3.85Å; F64-C200 WeakPolarHBondContact CE1-SG 3.38Å; F64-C200 HydrophobicContact CG-CB 3.65Å; F64-C200 WeakPolarHBondContact CG-O 3.47Å; F64-V203 HydrophobicContact CD2-CB 4.14Å; F64-V203 HydrophobicContact CD2-CG1 4.45Å; F64-V203 WeakPolarHBondContact CD2-O 3.43Å; F64-F205 AromaticContact CD2-CD1 3.7Å; F64-F205 HydrophobicContact CD2-CD1 3.7Å; F64-F205 AromaticContact CD2-CE1 3.58Å; F64-F205 HydrophobicContact CD2-CE1 3.58Å; F64-F205 AromaticContact CE2-CD1 3.4Å; F64-F205 HydrophobicContact CE2-CD1 3.4Å; F64-F205 VanDerWaalsContact CE2-CD1 3.4Å; F64-F205 AromaticContact CE2-CE1 3.29Å; F64-F205 HydrophobicContact CE2-CE1 3.29Å; F64-F205 HydrophobicContact CE2-CZ 4.47Å; F64-F205 HydrophobicContact CG-CE1 4.48Å; F64-F205 HydrophobicContact CZ-CD1 4.44Å; F64-F205 HydrophobicContact CZ-CE1 4.01Å
65	E	63.2	Low	71.3	Confident	126 Å²	126	70.8 Å²	70.8	59%	0.589	36%	0.355	S	S	*	.	H	α-helix	trans	-54.8	-45.3	179.8	-173.6	-178.5	-179.5	0	0	111.1	L63 K67 Y68 M69	L63-E65 PolarHBondContact O-N 3.48Å; E65-K67 PolarHBondContact O-N 2.89Å; E65-Y68 PolarHBondContact O-N 3.02Å; E65-M69 WeakPolarHBondContact O-CB 3.42Å; E65-M69 VanDerWaalsContact O-CG 3.31Å; E65-M69 WeakPolarHBondContact O-CG 3.35Å; E65-M69 PolarHBondContact O-N 2.88Å
66	N	69.6	Low	71.4	Confident	86 Å²	86	76.4 Å²	76.4	46%	0.46	38%	0.379	S	S	.	.	H	α-helix	trans	-61.8	-45	175.6	-66	-17.1	0	0	0	111.1	F62 L63 F64 Y68 M69 E70	F62-N66 HydrophobicContact CB-CB 4.46Å; L63-N66 WeakPolarHBondContact O-CB 3.48Å; L63-N66 PolarHBondContact O-N 3.1Å; L63-N66 VanDerWaalsContact O-N 3.08Å; F64-N66 VanDerWaalsContact C-N 3.25Å; F64-N66 PolarHBondContact O-N 3.15Å; N66-Y68 PolarHBondContact O-N 2.96Å; N66-M69 PolarHBondContact O-N 3.27Å; N66-E70 WeakPolarHBondContact O-CB 3.29Å; N66-E70 PolarHBondContact O-N 2.97Å
67	K	72.4	Confident	71.7	Confident	6 Å²	6	75.5 Å²	75.5	3%	0.026	38%	0.381	C	S	.	.	H	α-helix	trans	-64.4	-38	177.6	-70	-165.5	165.5	-171.1	0	113	L57 G59 F62 L63 F64 E65 E70 A71 F205	L57-K67 HydrophobicContact CD1-CB 3.81Å; L57-K67 HydrophobicContact CD1-CD 4.21Å; L57-K67 HydrophobicContact CD1-CG 4.17Å; G59-K67 PolarHBondContact O-NZ 3.23Å; F62-K67 HydrophobicContact CB-CD 4.28Å; F62-K67 HydrophobicContact CB-CG 3.6Å; L63-K67 PolarHBondContact O-N 3.36Å; F64-K67 CarbonylContact O-C 3.53Å; F64-K67 WeakPolarHBondContact O-CA 3.26Å; F64-K67 WeakPolarHBondContact O-CB 3.5Å; F64-K67 PolarHBondContact O-N 2.99Å; E65-K67 PolarHBondContact O-N 2.89Å; K67-E70 PolarHBondContact O-N 3.27Å; K67-A71 WeakPolarHBondContact O-CB 3.42Å; K67-A71 PolarHBondContact O-N 2.89Å; K67-F205 HydrophobicContact CB-CE1 3.67Å; K67-F205 HydrophobicContact CB-CZ 3.59Å; K67-F205 HydrophobicContact CD-CE1 4.46Å
68	Y	74.8	Confident	72.2	Confident	13 Å²	13	77.7 Å²	77.7	5%	0.051	39%	0.39	C	S	.	.	H	α-helix	trans	-67.7	-46.7	178.9	-176.6	-90.2	0	0	0	110.6	F64 E65 N66 E70 A71 M72 L83 L116 R120	F64-Y68 AromaticContact CE1-CD2 3.89Å; F64-Y68 HydrophobicContact CE1-CD2 3.89Å; F64-Y68 AromaticContact CE1-CG 3.97Å; F64-Y68 HydrophobicContact CE1-CG 3.97Å; F64-Y68 AromaticContact CZ-CD2 3.74Å; F64-Y68 HydrophobicContact CZ-CD2 3.74Å; F64-Y68 HydrophobicContact CZ-CG 4.23Å; F64-Y68 WeakPolarHBondContact O-CB 3.35Å; F64-Y68 PolarHBondContact O-N 3Å; E65-Y68 PolarHBondContact O-N 3.02Å; N66-Y68 PolarHBondContact O-N 2.96Å; Y68-E70 VanDerWaalsContact C-N 3.3Å; Y68-E70 PolarHBondContact O-N 3.41Å; Y68-A71 PolarHBondContact O-N 3.18Å; Y68-M72 HydrophobicContact CD1-CG 4.2Å; Y68-M72 HydrophobicContact CD1-SD 3.96Å; Y68-M72 HydrophobicContact CE1-CG 3.86Å; Y68-M72 HydrophobicContact CE1-SD 3.46Å; Y68-M72 WeakPolarHBondContact CE1-SD 3.31Å; Y68-M72 WeakPolarHBondContact O-CG 3.29Å; Y68-M72 PolarHBondContact O-N 2.88Å; Y68-L83 HydrophobicContact CD2-CD1 4.11Å; Y68-L83 HydrophobicContact CE1-CD1 4.27Å; Y68-L83 HydrophobicContact CE2-CD1 3.53Å; Y68-L116 HydrophobicContact CD2-CD1 3.95Å; Y68-L116 HydrophobicContact CD2-CD2 3.65Å; Y68-L116 HydrophobicContact CD2-CG 4.35Å; Y68-L116 HydrophobicContact CE2-CD1 4.19Å; Y68-L116 HydrophobicContact CE2-CD2 3.99Å; Y68-L116 HydrophobicContact CE2-CG 4.46Å; Y68-R120 PolarHBondContact OH-NE 3.3Å; Y68-R120 PolarHBondContact OH-NH2 3.46Å
69	M	75.1	Confident	73	Confident	108 Å²	108	69 Å²	69	53%	0.532	35%	0.35	S	S	.	.	H	α-helix	trans	-63.4	-37.9	175.3	-69.4	-57.2	-66.3	0	0	111.6	E65 N66 M72 H73	E65-M69 WeakPolarHBondContact O-CB 3.42Å; E65-M69 VanDerWaalsContact O-CG 3.31Å; E65-M69 WeakPolarHBondContact O-CG 3.35Å; E65-M69 PolarHBondContact O-N 2.88Å; N66-M69 PolarHBondContact O-N 3.27Å; M69-M72 WeakPolarHBondContact O-CB 3.49Å; M69-M72 PolarHBondContact O-N 2.83Å; M69-M72 HydrophobicContact SD-SD 3.92Å; M69-H73 VanDerWaalsContact O-CB 3.3Å; M69-H73 WeakPolarHBondContact O-CB 3.23Å; M69-H73 PolarHBondContact O-N 3.48Å
70	E	79.2	Confident	74	Confident	76 Å²	76	71 Å²	71	36%	0.355	35%	0.352	S	S	.	.	H	α-helix	trans	-61.5	-49	171.3	-177	-178.5	-172.7	0	0	111.2	L57 N66 K67 Y68 M72 H73 V74	L57-E70 HydrophobicContact CD2-CG 4.08Å; N66-E70 WeakPolarHBondContact O-CB 3.29Å; N66-E70 PolarHBondContact O-N 2.97Å; K67-E70 PolarHBondContact O-N 3.27Å; Y68-E70 VanDerWaalsContact C-N 3.3Å; Y68-E70 PolarHBondContact O-N 3.41Å; E70-M72 VanDerWaalsContact C-N 3.31Å; E70-M72 PolarHBondContact O-N 3.33Å; E70-H73 CarbonylContact O-C 3.47Å; E70-H73 WeakPolarHBondContact O-CA 3.32Å; E70-H73 WeakPolarHBondContact O-CB 3.28Å; E70-H73 PolarHBondContact O-N 3.3Å; E70-V74 HydrophobicContact CG-CG2 4.45Å; E70-V74 VanDerWaalsContact O-CG2 3.3Å; E70-V74 WeakPolarHBondContact O-CG2 3.3Å; E70-V74 PolarHBondContact O-N 2.9Å
71	A	82	Confident	75.3	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.3	-40.8	178.1	0	0	0	0	0	112	K67 Y68 V74 C75 L83 L116 F205 F208	K67-A71 WeakPolarHBondContact O-CB 3.42Å; K67-A71 PolarHBondContact O-N 2.89Å; Y68-A71 PolarHBondContact O-N 3.18Å; A71-V74 PolarHBondContact O-N 3.45Å; A71-C75 PolarHBondContact O-N 3.43Å; A71-C75 PolarHBondContact O-SG 2.8Å; A71-L83 HydrophobicContact CB-CD2 4.03Å; A71-L116 HydrophobicContact CB-CD2 4.14Å; A71-F205 HydrophobicContact CB-CE2 4.3Å; A71-F205 HydrophobicContact CB-CZ 4.39Å; A71-F208 HydrophobicContact CB-CB 4.45Å; A71-F208 HydrophobicContact CB-CD1 3.86Å; A71-F208 HydrophobicContact CB-CD2 3.87Å; A71-F208 HydrophobicContact CB-CE1 3.96Å; A71-F208 HydrophobicContact CB-CE2 3.92Å; A71-F208 HydrophobicContact CB-CG 3.81Å; A71-F208 HydrophobicContact CB-CZ 3.95Å; A71-F208 WeakPolarHBondContact O-CE2 3.29Å
72	M	81.4	Confident	76.7	Confident	60 Å²	60	60.5 Å²	60.5	30%	0.296	30%	0.297	S	S	.	.	H	α-helix	trans	-60.8	-45.4	171.2	-73.9	-175.5	68.8	0	0	112.4	Y68 M69 E70 V74 C75 K76 L83 R120	Y68-M72 HydrophobicContact CD1-CG 4.2Å; Y68-M72 HydrophobicContact CD1-SD 3.96Å; Y68-M72 HydrophobicContact CE1-CG 3.86Å; Y68-M72 HydrophobicContact CE1-SD 3.46Å; Y68-M72 WeakPolarHBondContact CE1-SD 3.31Å; Y68-M72 WeakPolarHBondContact O-CG 3.29Å; Y68-M72 PolarHBondContact O-N 2.88Å; M69-M72 WeakPolarHBondContact O-CB 3.49Å; M69-M72 PolarHBondContact O-N 2.83Å; M69-M72 HydrophobicContact SD-SD 3.92Å; E70-M72 VanDerWaalsContact C-N 3.31Å; E70-M72 PolarHBondContact O-N 3.33Å; M72-V74 VanDerWaalsContact C-N 3.33Å; M72-C75 PolarHBondContact O-N 2.93Å; M72-K76 WeakPolarHBondContact O-CB 3.4Å; M72-K76 PolarHBondContact O-N 2.86Å; M72-L83 HydrophobicContact CG-CD1 3.66Å; M72-L83 HydrophobicContact CG-CG 4.28Å; M72-R120 PolarHBondContact SD-NH2 3.41Å
73	H	81.9	Confident	77.8	Confident	111 Å²	111	55.5 Å²	55.5	51%	0.514	28%	0.275	S	S	.	.	H	α-helix	trans	-62.3	-43	179.4	-172.3	70.2	0	0	0	111.1	M69 E70 K76 N77	M69-H73 VanDerWaalsContact O-CB 3.3Å; M69-H73 WeakPolarHBondContact O-CB 3.23Å; M69-H73 PolarHBondContact O-N 3.48Å; E70-H73 CarbonylContact O-C 3.47Å; E70-H73 WeakPolarHBondContact O-CA 3.32Å; E70-H73 WeakPolarHBondContact O-CB 3.28Å; E70-H73 PolarHBondContact O-N 3.3Å; H73-K76 PolarHBondContact O-N 3.3Å; H73-N77 PolarHBondContact CD2-ND2 3.43Å; H73-N77 VanDerWaalsContact CD2-ND2 3.31Å; H73-N77 PolarHBondContact CE1-ND2 3.31Å; H73-N77 PolarHBondContact NE2-ND2 3.33Å; H73-N77 WeakPolarHBondContact O-CB 3.45Å; H73-N77 VanDerWaalsContact O-CG 3.31Å; H73-N77 PolarHBondContact O-N 3.35Å
74	V	85.1	Confident	78.8	Confident	33 Å²	33	51.7 Å²	51.7	20%	0.2	25%	0.254	C	S	.	.	H	α-helix	trans	-60	-50.8	173.9	173.5	0	0	0	0	110.2	E70 A71 M72 K76 N77 E78 F208	E70-V74 HydrophobicContact CG-CG2 4.45Å; E70-V74 VanDerWaalsContact O-CG2 3.3Å; E70-V74 WeakPolarHBondContact O-CG2 3.3Å; E70-V74 PolarHBondContact O-N 2.9Å; A71-V74 PolarHBondContact O-N 3.45Å; M72-V74 VanDerWaalsContact C-N 3.33Å; V74-K76 VanDerWaalsContact C-N 3.28Å; V74-K76 PolarHBondContact O-N 3.35Å; V74-N77 PolarHBondContact O-N 2.88Å; V74-E78 HydrophobicContact CG1-CB 4.43Å; V74-E78 HydrophobicContact CG1-CG 3.73Å; V74-E78 WeakPolarHBondContact O-CB 3.4Å; V74-E78 VanDerWaalsContact O-CG 3.31Å; V74-E78 WeakPolarHBondContact O-CG 3.19Å; V74-E78 PolarHBondContact O-N 2.84Å; V74-F208 HydrophobicContact CB-CE2 4.08Å; V74-F208 HydrophobicContact CB-CZ 3.78Å; V74-F208 HydrophobicContact CG1-CE2 3.97Å; V74-F208 HydrophobicContact CG1-CZ 3.67Å; V74-F208 HydrophobicContact CG2-CZ 4.29Å
75	C	86.1	Confident	79.3	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.6	-42.8	178.1	-67.3	0	0	0	0	112.6	A71 M72 T79 N80 G81 C210	A71-C75 PolarHBondContact O-N 3.43Å; A71-C75 PolarHBondContact O-SG 2.8Å; M72-C75 PolarHBondContact O-N 2.93Å; C75-T79 PolarHBondContact O-N 2.88Å; C75-T79 PolarHBondContact O-OG1 2.86Å; C75-N80 PolarHBondContact O-N 3.41Å; C75-G81 CarbonylContact C-O 3.14Å; C75-G81 PolarHBondContact O-N 3.28Å; C75-C210 WeakPolarHBondContact CA-SG 3.47Å; C75-C210 HydrophobicContact CB-CB 3.66Å; C75-C210 WeakPolarHBondContact CB-SG 3.41Å; C75-C210 VanDerWaalsContact SG-CA 3.5Å; C75-C210 WeakPolarHBondContact SG-CB 3.29Å; C75-C210 CovalentContact SG-SG 2.03Å; C75-C210 PolarHBondContact SG-SG 3.39Å
76	K	85.5	Confident	79.5	Confident	134 Å²	134	46.3 Å²	46.3	58%	0.583	23%	0.23	S	C	*	.	H	α-helix	trans	-65.6	-48.6	179.3	-173.6	178.5	179.3	-177.4	0	111.8	M72 H73 V74 N80 G81	M72-K76 WeakPolarHBondContact O-CB 3.4Å; M72-K76 PolarHBondContact O-N 2.86Å; H73-K76 PolarHBondContact O-N 3.3Å; V74-K76 VanDerWaalsContact C-N 3.28Å; V74-K76 PolarHBondContact O-N 3.35Å; K76-N80 WeakPolarHBondContact O-CA 3.31Å; K76-N80 PolarHBondContact O-N 3.38Å; K76-G81 WeakPolarHBondContact CA-O 3.49Å; K76-G81 PolarHBondContact N-O 2.94Å
77	N	83.2	Confident	78.9	Confident	78 Å²	78	43.4 Å²	43.4	42%	0.417	22%	0.215	S	C	.	.	H	α-helix	trans	-76.9	-39.8	-175.6	-67.6	-3.9	0	0	0	112.8	H73 V74 Y235	H73-N77 PolarHBondContact CD2-ND2 3.43Å; H73-N77 VanDerWaalsContact CD2-ND2 3.31Å; H73-N77 PolarHBondContact CE1-ND2 3.31Å; H73-N77 PolarHBondContact NE2-ND2 3.33Å; H73-N77 WeakPolarHBondContact O-CB 3.45Å; H73-N77 VanDerWaalsContact O-CG 3.31Å; H73-N77 PolarHBondContact O-N 3.35Å; V74-N77 PolarHBondContact O-N 2.88Å; N77-Y235 PolarHBondContact O-OH 2.93Å
78	E	81.9	Confident	77.9	Confident	60 Å²	60	43.4 Å²	43.4	28%	0.28	22%	0.216	S	C	.	.	H	α-helix	trans	-79.3	-26.2	-174.4	-65.8	-60.2	116.1	0	0	113.3	K37 V74 Y235	K37-E78 WeakPolarHBondContact CD-OE2 3.4Å; K37-E78 WeakPolarHBondContact CE-OE2 3.37Å; K37-E78 IonicContact NZ-OE1 3.23Å; K37-E78 PolarHBondContact NZ-OE1 2.94Å; K37-E78 IonicContact NZ-OE2 2.81Å; K37-E78 PolarHBondContact NZ-OE2 3.19Å; V74-E78 HydrophobicContact CG1-CB 4.43Å; V74-E78 HydrophobicContact CG1-CG 3.73Å; V74-E78 WeakPolarHBondContact O-CB 3.4Å; V74-E78 VanDerWaalsContact O-CG 3.31Å; V74-E78 WeakPolarHBondContact O-CG 3.19Å; V74-E78 PolarHBondContact O-N 2.84Å; E78-Y235 PolarHBondContact O-OH 2.77Å
79	T	80.7	Confident	76.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-138.4	-2.9	-169.4	74.1	0	0	0	0	114.6	P33 Q34 C75 G81 C210 A212 Y235	P33-T79 WeakPolarHBondContact CB-O 3.31Å; Q34-T79 HydrophobicContact CG-CG2 3.32Å; C75-T79 PolarHBondContact O-N 2.88Å; C75-T79 PolarHBondContact O-OG1 2.86Å; T79-G81 PolarHBondContact O-N 2.67Å; T79-G81 WeakPolarHBondContact OG1-CA 3.33Å; T79-G81 PolarHBondContact OG1-N 3Å; T79-G81 VanDerWaalsContact OG1-N 3.15Å; T79-C210 HydrophobicContact CG2-CB 4.44Å; T79-A212 VanDerWaalsContact O-CB 3.29Å; T79-A212 WeakPolarHBondContact O-CB 3.45Å; T79-Y235 PolarHBondContact N-OH 3.15Å
80	N	81.4	Confident	75	Confident	78 Å²	78	48 Å²	48	42%	0.417	23%	0.234	S	C	.	.	S	Bend	trans	46.9	36.3	-161.5	-171.3	41.8	0	0	0	112	C75 K76 Y235	C75-N80 PolarHBondContact O-N 3.41Å; K76-N80 WeakPolarHBondContact O-CA 3.31Å; K76-N80 PolarHBondContact O-N 3.38Å; N80-Y235 HydrophobicContact CB-CD2 3.29Å; N80-Y235 HydrophobicContact CB-CE2 3.4Å; N80-Y235 VanDerWaalsContact CB-CE2 3.4Å; N80-Y235 HydrophobicContact CB-CG 4Å
81	G	84.6	Confident	73.1	Confident	7 Å²	7	47.7 Å²	47.7	7%	0.072	24%	0.24	C	C	.	.			trans	-113.4	-169.5	-175.1	0	0	0	0	0	111.4	C75 K76 T79 A211	C75-G81 CarbonylContact C-O 3.14Å; C75-G81 PolarHBondContact O-N 3.28Å; K76-G81 WeakPolarHBondContact CA-O 3.49Å; K76-G81 PolarHBondContact N-O 2.94Å; T79-G81 PolarHBondContact O-N 2.67Å; T79-G81 WeakPolarHBondContact OG1-CA 3.33Å; T79-G81 PolarHBondContact OG1-N 3Å; T79-G81 VanDerWaalsContact OG1-N 3.15Å; G81-A211 CarbonylContact C-O 3.52Å; G81-A211 WeakPolarHBondContact CA-O 3.38Å
82	I	83.4	Confident	71.3	Confident	72 Å²	72	52.1 Å²	52.1	37%	0.369	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	162.4	-175	60.9	-147	0	0	0	108.6	H84 T141 C210 A211	I82-H84 PolarHBondContact O-N 2.88Å; I82-T141 HydrophobicContact CB-CG2 3.97Å; I82-T141 HydrophobicContact CD1-CG2 4.39Å; I82-T141 WeakPolarHBondContact CD1-OG1 3.26Å; I82-T141 HydrophobicContact CG1-CG2 3.94Å; I82-T141 WeakPolarHBondContact CG1-OG1 3.11Å; I82-C210 CarbonylContact O-C 3.42Å; I82-C210 VanDerWaalsContact O-CA 3.26Å; I82-C210 WeakPolarHBondContact O-CA 3.42Å; I82-A211 PolarHBondContact N-O 3.4Å; I82-A211 PolarHBondContact O-N 3.27Å
83	L	81.6	Confident	69.4	Low	4 Å²	4	53.2 Å²	53.2	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	127.3	170.7	-76.6	169.5	0	0	0	110	Y68 A71 M72 S85 L116 T141 F208 V209	Y68-L83 HydrophobicContact CD2-CD1 4.11Å; Y68-L83 HydrophobicContact CE1-CD1 4.27Å; Y68-L83 HydrophobicContact CE2-CD1 3.53Å; A71-L83 HydrophobicContact CB-CD2 4.03Å; M72-L83 HydrophobicContact CG-CD1 3.66Å; M72-L83 HydrophobicContact CG-CG 4.28Å; L83-S85 PolarHBondContact O-N 3.49Å; L83-L116 HydrophobicContact CD1-CD2 3.85Å; L83-L116 HydrophobicContact CD2-CD2 3.99Å; L83-T141 WeakPolarHBondContact O-CG2 3.26Å; L83-T141 PolarHBondContact O-OG1 3.34Å; L83-F208 HydrophobicContact CD2-CB 3.85Å; L83-F208 HydrophobicContact CD2-CD2 3.65Å; L83-F208 HydrophobicContact CD2-CG 4.08Å; L83-V209 CarbonylContact C-O 3.5Å
84	H	80.1	Confident	67.1	Low	30 Å²	30	50 Å²	50	14%	0.139	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-71.9	123	177	-176.8	62	0	0	0	109	I82 G118 V209 A211	I82-H84 PolarHBondContact O-N 2.88Å; H84-G118 WeakPolarHBondContact O-CA 3.2Å; H84-G118 PolarHBondContact O-N 2.88Å; H84-V209 HydrophobicContact CB-CB 3.82Å; H84-V209 HydrophobicContact CB-CG1 3.55Å; H84-V209 WeakPolarHBondContact CB-O 3.48Å; H84-V209 PolarHBondContact N-O 3.44Å; H84-A211 HydrophobicContact CB-CB 3.98Å
85	S	72.2	Confident	64.9	Low	10 Å²	10	55.1 Å²	55.1	7%	0.07	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-92.9	131.2	172.6	-58.3	0	0	0	0	108.1	L83 G118 L119	L83-S85 PolarHBondContact O-N 3.49Å; S85-G118 PolarHBondContact OG-O 3.46Å; S85-L119 PolarHBondContact OG-N 2.82Å
86	F	66.7	Low	62.7	Low	7 Å²	7	59.3 Å²	59.3	3%	0.031	35%	0.345	C	S	.	.			trans	-132.5	140.9	177.6	59.3	-91.2	0	0	0	108.9	T88 H97 L99 I115 N117 L119 V185	F86-T88 HydrophobicContact CD2-CG2 4.09Å; F86-T88 HydrophobicContact CE2-CG2 4.36Å; F86-H97 WeakPolarHBondContact CB-O 3.47Å; F86-L99 HydrophobicContact CD1-CD2 4.22Å; F86-I115 HydrophobicContact CE1-CG2 4.1Å; F86-I115 HydrophobicContact CZ-CB 4.45Å; F86-I115 HydrophobicContact CZ-CG2 4.17Å; F86-N117 HydrophobicContact CE1-CB 4.11Å; F86-N117 HydrophobicContact CZ-CB 4.13Å; F86-N117 PolarHBondContact N-OD1 3.02Å; F86-N117 PolarHBondContact O-ND2 2.93Å; F86-N117 PolarHBondContact O-OD1 3.44Å; F86-L119 WeakPolarHBondContact O-CD1 3.41Å; F86-V185 HydrophobicContact CE2-CB 3.96Å; F86-V185 HydrophobicContact CE2-CG1 4.38Å; F86-V185 HydrophobicContact CE2-CG2 3.71Å; F86-V185 HydrophobicContact CZ-CB 4.41Å; F86-V185 HydrophobicContact CZ-CG2 4.33Å
87	V	57.6	Low	61	Low	24 Å²	24	57.6 Å²	57.6	15%	0.145	34%	0.339	C	S	.	.			trans	-107.9	135.4	173.9	-171.8	0	0	0	0	105.7	Y89 H97 L119 F146 L161	V87-Y89 HydrophobicContact CG1-CD1 3.83Å; V87-Y89 HydrophobicContact CG1-CE1 4.3Å; V87-H97 CarbonylContact O-C 3.57Å; V87-L119 HydrophobicContact CG2-CD1 4.23Å; V87-F146 HydrophobicContact CG2-CE2 4.25Å; V87-F146 HydrophobicContact CG2-CZ 4.05Å; V87-L161 HydrophobicContact CG1-CD2 3.93Å
88	T	50.6	Low	59.9	Low	6 Å²	6	56.2 Å²	56.2	4%	0.037	33%	0.333	C	S	.	.			trans	-108.9	122.8	172.5	54.1	0	0	0	0	107.9	F86 V98 V185 S190	F86-T88 HydrophobicContact CD2-CG2 4.09Å; F86-T88 HydrophobicContact CE2-CG2 4.36Å; T88-V98 HydrophobicContact CG2-CG2 4.31Å; T88-V185 HydrophobicContact CG2-CG1 4.08Å; T88-S190 CarbonylContact C-O 3.58Å; T88-S190 WeakPolarHBondContact CB-O 3.1Å; T88-S190 PolarHBondContact OG1-O 2.88Å
89	Y	49.2	Very low	59	Low	75 Å²	75	53.6 Å²	53.6	29%	0.294	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	154.6	164	65.3	-91.7	0	0	0	110.8	V87 F96	V87-Y89 HydrophobicContact CG1-CD1 3.83Å; V87-Y89 HydrophobicContact CG1-CE1 4.3Å; Y89-F96 HydrophobicContact CD1-CB 4.46Å; Y89-F96 HydrophobicContact CE1-CB 3.73Å; Y89-F96 HydrophobicContact CE1-CG 4.43Å; Y89-F96 HydrophobicContact CE2-CB 4.19Å; Y89-F96 AromaticContact CE2-CD2 3.56Å; Y89-F96 HydrophobicContact CE2-CD2 3.56Å; Y89-F96 HydrophobicContact CE2-CE2 4.36Å; Y89-F96 HydrophobicContact CE2-CG 4.21Å; Y89-F96 AromaticContact CZ-CD2 3.59Å; Y89-F96 AromaticContact CZ-CG 3.77Å; Y89-F96 WeakPolarHBondContact OH-CD2 3.41Å; Y89-F96 WeakPolarHBondContact OH-CG 3.21Å
90	E	40.1	Very low	58.4	Low	144 Å²	144	54.7 Å²	54.7	67%	0.673	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.5	167.3	-67.9	-172.8	160.4	0	0	108.8
91	S	40.7	Very low	57.7	Low	69 Å²	69	59.8 Å²	59.8	48%	0.483	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	120.4	166.6	-173.8	0	0	0	0	109.8	G93 A94	S91-G93 PolarHBondContact O-N 3.36Å; S91-A94 PolarHBondContact N-O 3.33Å; S91-A94 PolarHBondContact O-N 3.04Å
92	G	44.2	Very low	56.8	Low	93 Å²	93	64.5 Å²	64.5	96%	0.959	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	23.7	171	0	0	0	0	0	115.7
93	G	40.1	Very low	56.3	Low	83 Å²	83	61.1 Å²	61.1	86%	0.856	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	-0.5	-177	0	0	0	0	0	115.4	S91	S91-G93 PolarHBondContact O-N 3.36Å
94	A	34.4	Very low	55.6	Low	44 Å²	44	63.5 Å²	63.5	36%	0.364	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	119.8	171.5	0	0	0	0	0	110.2	S91 F96	S91-A94 PolarHBondContact N-O 3.33Å; S91-A94 PolarHBondContact O-N 3.04Å; A94-F96 HydrophobicContact CB-CD2 4.24Å; A94-F96 HydrophobicContact CB-CE2 3.52Å; A94-F96 HydrophobicContact CB-CZ 3.94Å
95	Q	38.1	Very low	55	Low	140 Å²	140	66 Å²	66	65%	0.654	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	116.5	170.5	-68.9	-178.7	-13.6	0	0	108.5	V98	Q95-V98 HydrophobicContact CB-CG2 4.45Å
96	F	40.5	Very low	54.8	Low	88 Å²	88	66.3 Å²	66.3	39%	0.386	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.2	173.1	-69.5	-85.5	0	0	0	109.4	Y89 A94 V98	Y89-F96 HydrophobicContact CD1-CB 4.46Å; Y89-F96 HydrophobicContact CE1-CB 3.73Å; Y89-F96 HydrophobicContact CE1-CG 4.43Å; Y89-F96 HydrophobicContact CE2-CB 4.19Å; Y89-F96 AromaticContact CE2-CD2 3.56Å; Y89-F96 HydrophobicContact CE2-CD2 3.56Å; Y89-F96 HydrophobicContact CE2-CE2 4.36Å; Y89-F96 HydrophobicContact CE2-CG 4.21Å; Y89-F96 AromaticContact CZ-CD2 3.59Å; Y89-F96 AromaticContact CZ-CG 3.77Å; Y89-F96 WeakPolarHBondContact OH-CD2 3.41Å; Y89-F96 WeakPolarHBondContact OH-CG 3.21Å; A94-F96 HydrophobicContact CB-CD2 4.24Å; A94-F96 HydrophobicContact CB-CE2 3.52Å; A94-F96 HydrophobicContact CB-CZ 3.94Å; F96-V98 VanDerWaalsContact C-N 3.34Å; F96-V98 PolarHBondContact O-N 3.4Å; F96-V98 VanDerWaalsContact O-N 3.08Å
97	H	49.4	Very low	54.7	Low	97 Å²	97	66.1 Å²	66.1	45%	0.449	37%	0.368	S	S	.	.			trans	28.4	51.7	-179.9	-49.7	-64.2	0	0	0	118	N48 F86 V87	N48-H97 PolarHBondContact ND2-CE1 2.88Å; N48-H97 VanDerWaalsContact ND2-CE1 3.31Å; F86-H97 WeakPolarHBondContact CB-O 3.47Å; V87-H97 CarbonylContact O-C 3.57Å
98	V	59.5	Low	55	Low	49 Å²	49	69.9 Å²	69.9	30%	0.297	38%	0.384	S	S	.	.	S	Bend	trans	-55.9	142.9	138.4	-175.8	0	0	0	0	106.7	T88 Q95 F96 Y104	T88-V98 HydrophobicContact CG2-CG2 4.31Å; Q95-V98 HydrophobicContact CB-CG2 4.45Å; F96-V98 VanDerWaalsContact C-N 3.34Å; F96-V98 PolarHBondContact O-N 3.4Å; F96-V98 VanDerWaalsContact O-N 3.08Å; V98-Y104 HydrophobicContact CG1-CD2 4.3Å
99	L	64.1	Low	55.7	Low	6 Å²	6	74.1 Å²	74.1	3%	0.031	41%	0.414	C	S	.	.	S	Bend	trans	-39.5	141.3	170.1	-68.7	172.7	0	0	0	110	F86 R101 M103 I115 V209	F86-L99 HydrophobicContact CD1-CD2 4.22Å; L99-R101 PolarHBondContact O-N 3Å; L99-M103 HydrophobicContact CB-CB 4.34Å; L99-M103 HydrophobicContact CB-CG 4.41Å; L99-M103 HydrophobicContact CD1-CG 4.49Å; L99-M103 HydrophobicContact CD2-SD 3.94Å; L99-I115 HydrophobicContact CD1-CD1 3.54Å; L99-V209 HydrophobicContact CD1-CG2 4.33Å; L99-V209 HydrophobicContact CD2-CB 4.37Å; L99-V209 HydrophobicContact CD2-CG1 4.41Å; L99-V209 HydrophobicContact CD2-CG2 3.8Å
100	P	67.5	Low	56.5	Low	22 Å²	22	76.9 Å²	76.9	14%	0.143	43%	0.427	C	S	.	.			trans	-47	137.5	179.7	-30.9	37.5	0	0	0	110.6	H43 L52 Q102 M103 Y104	H43-P100 VanDerWaalsContact CD2-CG 3.5Å; H43-P100 WeakPolarHBondContact CD2-CG 3.37Å; H43-P100 WeakPolarHBondContact NE2-CB 3.24Å; L52-P100 HydrophobicContact CD1-CG 3.55Å; P100-Q102 PolarHBondContact O-N 2.87Å; P100-M103 HydrophobicContact CB-CB 4.46Å; P100-M103 CarbonylContact O-C 3.57Å; P100-M103 VanDerWaalsContact O-CA 3.3Å; P100-M103 WeakPolarHBondContact O-CA 3.42Å; P100-M103 WeakPolarHBondContact O-CB 3.46Å; P100-M103 PolarHBondContact O-N 3.41Å; P100-Y104 PolarHBondContact O-N 3.4Å
101	R	66.9	Low	57.4	Low	185 Å²	185	71.1 Å²	71.1	70%	0.698	40%	0.402	S	S	*	.	H	α-helix	trans	-50	-39.4	-169.2	-179.4	177.3	168	175	-0.6	113.3	L99 M103 Y104 E105	L99-R101 PolarHBondContact O-N 3Å; R101-M103 VanDerWaalsContact C-N 3.29Å; R101-M103 PolarHBondContact O-N 2.91Å; R101-Y104 WeakPolarHBondContact O-CB 3.15Å; R101-Y104 PolarHBondContact O-N 2.86Å; R101-E105 HydrophobicContact CG-CG 4.29Å; R101-E105 IonicContact CZ-OE1 3.07Å; R101-E105 IonicContact NE-OE1 3.13Å; R101-E105 PolarHBondContact NE-OE1 3.28Å; R101-E105 IonicContact NH2-OE1 3.39Å; R101-E105 PolarHBondContact NH2-OE1 3.44Å; R101-E105 VanDerWaalsContact NH2-OE1 3.13Å; R101-E105 WeakPolarHBondContact O-CB 3.3Å; R101-E105 WeakPolarHBondContact O-CG 3.45Å; R101-E105 PolarHBondContact O-N 2.82Å
102	Q	66.6	Low	58.3	Low	106 Å²	106	75.8 Å²	75.8	50%	0.495	42%	0.422	S	S	.	.	H	α-helix	trans	-64.3	-36.2	177.6	-55.8	100.6	-6.6	0	0	112.5	F41 H43 P100 A106	F41-Q102 HydrophobicContact CZ-CB 4.1Å; H43-Q102 PolarHBondContact CE1-OE1 2.93Å; H43-Q102 PolarHBondContact ND1-OE1 3.26Å; P100-Q102 PolarHBondContact O-N 2.87Å; Q102-A106 VanDerWaalsContact O-CB 3.29Å; Q102-A106 WeakPolarHBondContact O-CB 3.29Å; Q102-A106 PolarHBondContact O-N 3.22Å
103	M	71.2	Confident	59.2	Low	1 Å²	1	76.1 Å²	76.1	1%	0.005	40%	0.396	C	S	.	.	H	α-helix	trans	-69.1	-43.4	174.6	-168	168.3	-163.8	0	0	111.2	F41 L52 W54 L99 P100 R101 A106 V107 V209	F41-M103 HydrophobicContact CD1-CG 4.28Å; F41-M103 HydrophobicContact CE1-CB 3.81Å; F41-M103 HydrophobicContact CE1-CG 4.01Å; L52-M103 HydrophobicContact CB-SD 4.18Å; L52-M103 HydrophobicContact CD1-SD 4.15Å; W54-M103 HydrophobicContact CB-CE 3.51Å; W54-M103 HydrophobicContact CG-CE 4.31Å; L99-M103 HydrophobicContact CB-CB 4.34Å; L99-M103 HydrophobicContact CB-CG 4.41Å; L99-M103 HydrophobicContact CD1-CG 4.49Å; L99-M103 HydrophobicContact CD2-SD 3.94Å; P100-M103 HydrophobicContact CB-CB 4.46Å; P100-M103 CarbonylContact O-C 3.57Å; P100-M103 VanDerWaalsContact O-CA 3.3Å; P100-M103 WeakPolarHBondContact O-CA 3.42Å; P100-M103 WeakPolarHBondContact O-CB 3.46Å; P100-M103 PolarHBondContact O-N 3.41Å; R101-M103 VanDerWaalsContact C-N 3.29Å; R101-M103 PolarHBondContact O-N 2.91Å; M103-A106 PolarHBondContact O-N 3.45Å; M103-V107 WeakPolarHBondContact O-CG2 3.23Å; M103-V107 PolarHBondContact O-N 3.5Å; M103-V209 HydrophobicContact CE-CB 3.96Å; M103-V209 HydrophobicContact CE-CG1 3.49Å; M103-V209 VanDerWaalsContact CE-CG1 3.49Å; M103-V209 HydrophobicContact CE-CG2 3.28Å; M103-V209 HydrophobicContact SD-CG1 4.04Å; M103-V209 HydrophobicContact SD-CG2 4.21Å
104	Y	67.6	Low	60.4	Low	54 Å²	54	74.6 Å²	74.6	21%	0.212	37%	0.369	C	S	.	.	H	α-helix	trans	-58.3	-50.3	173.8	174.9	-93.9	0	0	0	111.8	V98 P100 R101 A106 V107 Q108 I187 G188	V98-Y104 HydrophobicContact CG1-CD2 4.3Å; P100-Y104 PolarHBondContact O-N 3.4Å; R101-Y104 WeakPolarHBondContact O-CB 3.15Å; R101-Y104 PolarHBondContact O-N 2.86Å; Y104-A106 VanDerWaalsContact C-N 3.32Å; Y104-A106 PolarHBondContact O-N 3.01Å; Y104-V107 PolarHBondContact O-N 3.17Å; Y104-V107 VanDerWaalsContact O-N 3.15Å; Y104-Q108 HydrophobicContact CE1-CB 4.4Å; Y104-Q108 WeakPolarHBondContact O-CB 3.31Å; Y104-Q108 PolarHBondContact O-N 2.78Å; Y104-I187 HydrophobicContact CE2-CG2 3.81Å; Y104-G188 VanDerWaalsContact OH-CA 3.23Å; Y104-G188 WeakPolarHBondContact OH-CA 3.3Å; Y104-G188 PolarHBondContact OH-N 2.85Å
105	E	67.9	Low	62.1	Low	83 Å²	83	73.1 Å²	73.1	39%	0.388	35%	0.354	S	S	.	.	H	α-helix	trans	-61.2	-39.2	178.1	-72.6	173.2	174.2	0	0	111.9	R101 S109	R101-E105 HydrophobicContact CG-CG 4.29Å; R101-E105 IonicContact CZ-OE1 3.07Å; R101-E105 IonicContact NE-OE1 3.13Å; R101-E105 PolarHBondContact NE-OE1 3.28Å; R101-E105 IonicContact NH2-OE1 3.39Å; R101-E105 PolarHBondContact NH2-OE1 3.44Å; R101-E105 VanDerWaalsContact NH2-OE1 3.13Å; R101-E105 WeakPolarHBondContact O-CB 3.3Å; R101-E105 WeakPolarHBondContact O-CG 3.45Å; R101-E105 PolarHBondContact O-N 2.82Å; E105-S109 VanDerWaalsContact O-CB 3.28Å; E105-S109 WeakPolarHBondContact O-CB 3.31Å; E105-S109 PolarHBondContact O-N 3.43Å; E105-S109 PolarHBondContact O-OG 2.93Å
106	A	67.6	Low	63.8	Low	17 Å²	17	66.7 Å²	66.7	14%	0.14	32%	0.324	C	S	.	.	H	α-helix	trans	-64.9	-37.3	175	0	0	0	0	0	112.8	F41 Q102 M103 Y104 S109	F41-A106 HydrophobicContact CD2-CB 4.15Å; F41-A106 HydrophobicContact CE2-CB 3.92Å; F41-A106 HydrophobicContact CZ-CB 4.13Å; Q102-A106 VanDerWaalsContact O-CB 3.29Å; Q102-A106 WeakPolarHBondContact O-CB 3.29Å; Q102-A106 PolarHBondContact O-N 3.22Å; M103-A106 PolarHBondContact O-N 3.45Å; Y104-A106 VanDerWaalsContact C-N 3.32Å; Y104-A106 PolarHBondContact O-N 3.01Å; A106-S109 PolarHBondContact O-OG 2.87Å; A106-S109 VanDerWaalsContact O-OG 3.12Å
107	V	64.8	Low	65.2	Low	2 Å²	2	62.7 Å²	62.7	1%	0.012	31%	0.307	C	S	.	.	H	α-helix	trans	-72.5	-48.6	176.6	175.8	0	0	0	0	111	W54 M103 Y104 S109 K110 T111 I115 I187 M207	W54-V107 HydrophobicContact CE3-CG2 3.53Å; W54-V107 HydrophobicContact CH2-CG2 4.43Å; W54-V107 HydrophobicContact CZ3-CB 4.06Å; W54-V107 HydrophobicContact CZ3-CG1 4.4Å; W54-V107 HydrophobicContact CZ3-CG2 3.47Å; W54-V107 VanDerWaalsContact CZ3-CG2 3.47Å; M103-V107 WeakPolarHBondContact O-CG2 3.23Å; M103-V107 PolarHBondContact O-N 3.5Å; Y104-V107 PolarHBondContact O-N 3.17Å; Y104-V107 VanDerWaalsContact O-N 3.15Å; V107-S109 VanDerWaalsContact C-N 3.34Å; V107-S109 PolarHBondContact O-N 2.91Å; V107-K110 PolarHBondContact O-N 3.3Å; V107-T111 PolarHBondContact O-N 3.36Å; V107-I115 HydrophobicContact CB-CD1 4.46Å; V107-I115 HydrophobicContact CG1-CD1 3.74Å; V107-I115 HydrophobicContact CG1-CG1 4.14Å; V107-I115 HydrophobicContact CG2-CD1 4.31Å; V107-I187 HydrophobicContact CG1-CD1 3.78Å; V107-I187 HydrophobicContact CG1-CG1 4.42Å; V107-M207 HydrophobicContact CG1-CE 3.67Å; V107-M207 HydrophobicContact CG1-SD 4.16Å
108	Q	64	Low	66.2	Low	103 Å²	103	58.1 Å²	58.1	48%	0.481	29%	0.286	S	S	.	.	H	α-helix	trans	-60.5	-42.7	-178	-172.6	-176.2	26.9	0	0	111.6	Y104 K110 I187	Y104-Q108 HydrophobicContact CE1-CB 4.4Å; Y104-Q108 WeakPolarHBondContact O-CB 3.31Å; Y104-Q108 PolarHBondContact O-N 2.78Å; Q108-K110 PolarHBondContact O-N 2.74Å; Q108-I187 HydrophobicContact CB-CG2 4.12Å; Q108-I187 HydrophobicContact CG-CG2 4.07Å
109	S	65.5	Low	66.6	Low	95 Å²	95	56.1 Å²	56.1	66%	0.664	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.2	-179.6	56.5	0	0	0	0	114	E105 A106 V107	E105-S109 VanDerWaalsContact O-CB 3.28Å; E105-S109 WeakPolarHBondContact O-CB 3.31Å; E105-S109 PolarHBondContact O-N 3.43Å; E105-S109 PolarHBondContact O-OG 2.93Å; A106-S109 PolarHBondContact O-OG 2.87Å; A106-S109 VanDerWaalsContact O-OG 3.12Å; V107-S109 VanDerWaalsContact C-N 3.34Å; V107-S109 PolarHBondContact O-N 2.91Å
110	K	64.8	Low	66.4	Low	133 Å²	133	60.3 Å²	60.3	58%	0.578	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-33.5	-173.1	-77	176.2	161.4	-170.4	0	113.2	W54 V107 Q108	W54-K110 HydrophobicContact CH2-CB 4.42Å; W54-K110 HydrophobicContact CH2-CD 3.5Å; W54-K110 HydrophobicContact CZ2-CD 3.81Å; V107-K110 PolarHBondContact O-N 3.3Å; Q108-K110 PolarHBondContact O-N 2.74Å
111	T	59	Low	66.1	Low	24 Å²	24	59.7 Å²	59.7	15%	0.147	29%	0.285	C	S	.	.			trans	-160.9	153.5	-170.7	70.3	0	0	0	0	114.2	V107 K113 I187 M207	V107-T111 PolarHBondContact O-N 3.36Å; T111-K113 HydrophobicContact CG2-CD 3.81Å; T111-K113 HydrophobicContact CG2-CG 4.18Å; T111-K113 PolarHBondContact O-N 3.44Å; T111-K113 WeakPolarHBondContact OG1-CB 3.22Å; T111-K113 PolarHBondContact OG1-N 2.85Å; T111-I187 VanDerWaalsContact O-CD1 3.3Å; T111-I187 WeakPolarHBondContact O-CD1 3.46Å; T111-M207 WeakPolarHBondContact OG1-CE 3.35Å
112	N	59.8	Low	65.6	Low	167 Å²	167	54 Å²	54	89%	0.893	27%	0.268	S	S	*	.	S	Bend	trans	-85.5	24.8	161.9	-70	-20.1	0	0	0	112.5
113	K	63	Low	65.1	Low	99 Å²	99	54.8 Å²	54.8	43%	0.43	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-87.3	155.3	-169.7	-69.5	177.4	-169.1	-171.3	0	112	T111 I187 M207	T111-K113 HydrophobicContact CG2-CD 3.81Å; T111-K113 HydrophobicContact CG2-CG 4.18Å; T111-K113 PolarHBondContact O-N 3.44Å; T111-K113 WeakPolarHBondContact OG1-CB 3.22Å; T111-K113 PolarHBondContact OG1-N 2.85Å; K113-I187 VanDerWaalsContact O-CD1 3.23Å; K113-I187 WeakPolarHBondContact O-CD1 3.18Å; K113-M207 HydrophobicContact CB-CE 3.65Å; K113-M207 VanDerWaalsContact O-CE 3.29Å; K113-M207 WeakPolarHBondContact O-CE 3.34Å
114	L	66.1	Low	64.5	Low	52 Å²	52	57.1 Å²	57.1	27%	0.272	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-74.7	140.3	179.9	-57.6	174.8	0	0	0	111.8	T184	L114-T184 HydrophobicContact CD1-CG2 4.18Å
115	I	71.2	Confident	64.2	Low	12 Å²	12	56.3 Å²	56.3	6%	0.062	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.2	173	-51.2	172.7	0	0	0	108.5	F86 L99 V107 N117 M207 V209	F86-I115 HydrophobicContact CE1-CG2 4.1Å; F86-I115 HydrophobicContact CZ-CB 4.45Å; F86-I115 HydrophobicContact CZ-CG2 4.17Å; L99-I115 HydrophobicContact CD1-CD1 3.54Å; V107-I115 HydrophobicContact CB-CD1 4.46Å; V107-I115 HydrophobicContact CG1-CD1 3.74Å; V107-I115 HydrophobicContact CG1-CG1 4.14Å; V107-I115 HydrophobicContact CG2-CD1 4.31Å; I115-N117 PolarHBondContact O-N 3.3Å; I115-M207 HydrophobicContact CG1-CE 3.98Å; I115-V209 HydrophobicContact CG2-CG2 4.33Å
116	L	72.8	Confident	63.9	Low	5 Å²	5	58.2 Å²	58.2	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	123	170.6	177.4	65	0	0	0	110.2	F64 Y68 A71 L83 F205 M207 F208	F64-L116 HydrophobicContact CE2-CD1 4Å; F64-L116 HydrophobicContact CZ-CD1 3.75Å; Y68-L116 HydrophobicContact CD2-CD1 3.95Å; Y68-L116 HydrophobicContact CD2-CD2 3.65Å; Y68-L116 HydrophobicContact CD2-CG 4.35Å; Y68-L116 HydrophobicContact CE2-CD1 4.19Å; Y68-L116 HydrophobicContact CE2-CD2 3.99Å; Y68-L116 HydrophobicContact CE2-CG 4.46Å; A71-L116 HydrophobicContact CB-CD2 4.14Å; L83-L116 HydrophobicContact CD1-CD2 3.85Å; L83-L116 HydrophobicContact CD2-CD2 3.99Å; L116-F205 HydrophobicContact CB-CB 4.47Å; L116-F205 HydrophobicContact CB-CD2 3.7Å; L116-F205 HydrophobicContact CB-CE2 3.96Å; L116-F205 HydrophobicContact CB-CG 3.99Å; L116-F205 HydrophobicContact CB-CZ 4.49Å; L116-F205 HydrophobicContact CD1-CD1 4.44Å; L116-F205 HydrophobicContact CD1-CE1 4.41Å; L116-F205 HydrophobicContact CD2-CD2 4.34Å; L116-F205 HydrophobicContact CD2-CE1 4.26Å; L116-F205 HydrophobicContact CD2-CE2 3.73Å; L116-F205 HydrophobicContact CD2-CZ 3.69Å; L116-F205 HydrophobicContact CG-CE2 4.38Å; L116-F205 HydrophobicContact CG-CZ 4.49Å; L116-M207 PolarHBondContact N-O 3.49Å; L116-F208 HydrophobicContact CB-CB 3.91Å; L116-F208 HydrophobicContact CD2-CB 4.23Å
117	N	70	Confident	63.4	Low	4 Å²	4	59.9 Å²	59.9	2%	0.021	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-82.1	130	168.3	-165.6	-27.6	0	0	0	110.1	F86 I115 L119	F86-N117 HydrophobicContact CE1-CB 4.11Å; F86-N117 HydrophobicContact CZ-CB 4.13Å; F86-N117 PolarHBondContact N-OD1 3.02Å; F86-N117 PolarHBondContact O-ND2 2.93Å; F86-N117 PolarHBondContact O-OD1 3.44Å; I115-N117 PolarHBondContact O-N 3.3Å; N117-L119 PolarHBondContact O-N 2.9Å; N117-L119 WeakPolarHBondContact OD1-CB 3.41Å; N117-L119 WeakPolarHBondContact OD1-CG 3.18Å; N117-L119 PolarHBondContact OD1-N 2.84Å
118	G	70.3	Confident	63	Low	1 Å²	1	65.5 Å²	65.5	1%	0.01	34%	0.339	C	S	.	.			trans	-69.7	-9.6	177.2	0	0	0	0	0	115.4	H84 S85	H84-G118 WeakPolarHBondContact O-CA 3.2Å; H84-G118 PolarHBondContact O-N 2.88Å; S85-G118 PolarHBondContact OG-O 3.46Å
119	L	67.4	Low	62.5	Low	8 Å²	8	69 Å²	69	4%	0.042	36%	0.355	C	S	.	.			trans	-57.9	138.3	178.6	-74.7	179.6	0	0	0	112.9	S85 F86 V87 N117 F138 F146 F192	S85-L119 PolarHBondContact OG-N 2.82Å; F86-L119 WeakPolarHBondContact O-CD1 3.41Å; V87-L119 HydrophobicContact CG2-CD1 4.23Å; N117-L119 PolarHBondContact O-N 2.9Å; N117-L119 WeakPolarHBondContact OD1-CB 3.41Å; N117-L119 WeakPolarHBondContact OD1-CG 3.18Å; N117-L119 PolarHBondContact OD1-N 2.84Å; L119-F138 HydrophobicContact CB-CD1 4.28Å; L119-F138 HydrophobicContact CD2-CB 4.47Å; L119-F146 HydrophobicContact CD1-CZ 3.94Å; L119-F146 HydrophobicContact CD2-CD1 4.39Å; L119-F146 HydrophobicContact CD2-CE1 3.12Å; L119-F146 HydrophobicContact CD2-CZ 3.34Å; L119-F146 HydrophobicContact CG-CE1 4.44Å; L119-F146 HydrophobicContact CG-CZ 4.29Å; L119-F192 HydrophobicContact CD1-CZ 4.33Å
120	R	61.3	Low	61.8	Low	93 Å²	93	69.3 Å²	69.3	35%	0.351	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.7	172.2	-58.7	180	-172.2	-171.9	-0.7	109.5	Y68 M72 F138 R139	Y68-R120 PolarHBondContact OH-NE 3.3Å; Y68-R120 PolarHBondContact OH-NH2 3.46Å; M72-R120 PolarHBondContact SD-NH2 3.41Å; R120-F138 CarbonylContact O-C 3.58Å; R120-F138 WeakPolarHBondContact O-CA 3.28Å; R120-R139 PolarHBondContact O-N 2.87Å
121	I	59.5	Low	61.1	Low	10 Å²	10	71.7 Å²	71.7	5%	0.051	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	132.7	162.8	-54.9	158.5	0	0	0	107.1	I124 V136 L137 F138 F179 L181	I121-I124 HydrophobicContact CG2-CD1 4.12Å; I121-I124 HydrophobicContact CG2-CG1 3.71Å; I121-V136 HydrophobicContact CB-CG1 4.15Å; I121-V136 HydrophobicContact CD1-CG1 4.07Å; I121-V136 HydrophobicContact CG1-CG1 3.71Å; I121-V136 HydrophobicContact CG2-CG1 3.47Å; I121-V136 VanDerWaalsContact CG2-CG1 3.47Å; I121-L137 CarbonylContact C-O 3.2Å; I121-L137 WeakPolarHBondContact CA-O 3.27Å; I121-F138 HydrophobicContact CB-CD1 4.5Å; I121-F138 HydrophobicContact CB-CE1 4.4Å; I121-F138 HydrophobicContact CD1-CE1 4.05Å; I121-F138 HydrophobicContact CD1-CZ 4.14Å; I121-F138 HydrophobicContact CG1-CD1 3.69Å; I121-F138 HydrophobicContact CG1-CE1 3.2Å; I121-F138 HydrophobicContact CG1-CE2 4.35Å; I121-F138 HydrophobicContact CG1-CG 4.45Å; I121-F138 HydrophobicContact CG1-CZ 3.56Å; I121-F179 HydrophobicContact CB-CE1 3.39Å; I121-F179 HydrophobicContact CB-CZ 3.48Å; I121-F179 VanDerWaalsContact CB-CZ 3.48Å; I121-F179 HydrophobicContact CD1-CZ 4.46Å; I121-F179 HydrophobicContact CG1-CE1 4.49Å; I121-F179 HydrophobicContact CG2-CE1 3.93Å; I121-F179 HydrophobicContact CG2-CZ 3.51Å; I121-F179 WeakPolarHBondContact O-CD1 3.27Å; I121-F179 WeakPolarHBondContact O-CE1 3.43Å; I121-L181 HydrophobicContact CD1-CD1 4.15Å
122	I	57.5	Low	61	Low	66 Å²	66	75.6 Å²	75.6	34%	0.338	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-41.3	-179.9	-47.5	164.7	0	0	0	110	L137 R139 D145	I122-L137 HydrophobicContact CB-CD2 4.38Å; I122-L137 HydrophobicContact CB-CG 4.48Å; I122-L137 HydrophobicContact CD1-CD2 3.98Å; I122-L137 HydrophobicContact CD1-CG 3.97Å; I122-L137 PolarHBondContact N-O 3.36Å; I122-R139 HydrophobicContact CD1-CB 3.38Å; I122-R139 HydrophobicContact CD1-CG 3.94Å; I122-R139 HydrophobicContact CG1-CB 3.54Å; I122-R139 HydrophobicContact CG1-CG 4.46Å; I122-D145 WeakPolarHBondContact CD1-OD1 2.89Å
123	K	56.9	Low	60.8	Low	121 Å²	121	69.4 Å²	69.4	53%	0.526	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	141	-169.4	-166.4	-175.4	-174.9	-174.2	0	108.9	T125 L137	K123-T125 HydrophobicContact CD-CG2 3.86Å; K123-T125 HydrophobicContact CG-CG2 4.05Å; K123-L137 HydrophobicContact CB-CB 4.05Å; K123-L137 HydrophobicContact CB-CD2 4.13Å; K123-L137 WeakPolarHBondContact O-CB 3.15Å; K123-L137 PolarHBondContact O-N 2.78Å
124	I	58.3	Low	60.5	Low	51 Å²	51	65.9 Å²	65.9	26%	0.262	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.3	174.3	-67	-174.8	0	0	0	106.3	I121 V136 F172	I121-I124 HydrophobicContact CG2-CD1 4.12Å; I121-I124 HydrophobicContact CG2-CG1 3.71Å; I124-V136 HydrophobicContact CG1-CG1 4.43Å; I124-F172 HydrophobicContact CB-CE1 4.32Å; I124-F172 HydrophobicContact CG2-CD1 3.38Å; I124-F172 HydrophobicContact CG2-CE1 2.84Å; I124-F172 HydrophobicContact CG2-CG 4.44Å; I124-F172 HydrophobicContact CG2-CZ 3.4Å; I124-F172 VanDerWaalsContact CG2-CZ 3.4Å
125	T	60.3	Low	60.2	Low	37 Å²	37	66.4 Å²	66.4	23%	0.227	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	138	178.6	50.5	0	0	0	0	111.3	K123 M135	K123-T125 HydrophobicContact CD-CG2 3.86Å; K123-T125 HydrophobicContact CG-CG2 4.05Å; T125-M135 HydrophobicContact CG2-CE 4.43Å; T125-M135 PolarHBondContact N-O 3.29Å; T125-M135 PolarHBondContact O-N 2.86Å; T125-M135 WeakPolarHBondContact OG1-CB 3.2Å; T125-M135 WeakPolarHBondContact OG1-CE 3.34Å
126	K	61.1	Low	59.7	Low	123 Å²	123	66 Å²	66	54%	0.535	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.9	173.6	-173.1	174.9	-176	169.7	0	108.6
127	S	57.3	Low	59.1	Low	52 Å²	52	66.3 Å²	66.3	36%	0.364	33%	0.328	S	S	.	.			trans	-63.8	141.7	172	178.9	0	0	0	0	110.6	E129 T133	S127-E129 PolarHBondContact OG-N 3.38Å; S127-T133 PolarHBondContact N-O 3.47Å
128	S	57.3	Low	58.7	Low	120 Å²	120	66.2 Å²	66.2	84%	0.839	33%	0.327	S	S	*	.	S	Bend	trans	-72	-32	175.2	47.1	0	0	0	0	112.7
129	E	53	Low	58.1	Low	175 Å²	175	70.7 Å²	70.7	82%	0.818	34%	0.344	S	S	*	.	S	Bend	trans	-77.8	-33.3	-168.5	-70.9	-176.1	166.1	0	0	112.9	S127	S127-E129 PolarHBondContact OG-N 3.38Å
130	E	50.4	Low	57.6	Low	102 Å²	102	72.6 Å²	72.6	48%	0.477	35%	0.353	S	S	.	.			trans	-147.2	130.3	170.1	-63.3	-167.4	137.1	0	0	108.4	K132	E130-K132 HydrophobicContact CB-CB 4.23Å; E130-K132 HydrophobicContact CB-CD 4.29Å; E130-K132 HydrophobicContact CB-CG 4.02Å; E130-K132 PolarHBondContact O-N 3.49Å; E130-K132 IonicContact OE1-NZ 2.7Å; E130-K132 PolarHBondContact OE1-NZ 2.73Å; E130-K132 WeakPolarHBondContact OE2-CD 3.32Å; E130-K132 WeakPolarHBondContact OE2-CE 3.44Å; E130-K132 IonicContact OE2-NZ 3.74Å; E130-K132 PolarHBondContact OE2-NZ 3.21Å
131	K	50.8	Low	57.3	Low	183 Å²	183	70.2 Å²	70.2	80%	0.796	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	16.3	173.3	-61	179.5	177.1	175.8	0	114.1
132	K	55.7	Low	56.9	Low	107 Å²	107	75 Å²	75	47%	0.465	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-35.4	-176.3	-60.6	-174.8	-160.5	153.6	0	112.8	E130 T151	E130-K132 HydrophobicContact CB-CB 4.23Å; E130-K132 HydrophobicContact CB-CD 4.29Å; E130-K132 HydrophobicContact CB-CG 4.02Å; E130-K132 PolarHBondContact O-N 3.49Å; E130-K132 IonicContact OE1-NZ 2.7Å; E130-K132 PolarHBondContact OE1-NZ 2.73Å; E130-K132 WeakPolarHBondContact OE2-CD 3.32Å; E130-K132 WeakPolarHBondContact OE2-CE 3.44Å; E130-K132 IonicContact OE2-NZ 3.74Å; E130-K132 PolarHBondContact OE2-NZ 3.21Å; K132-T151 VanDerWaalsContact O-CG2 3.28Å; K132-T151 WeakPolarHBondContact O-CG2 3.44Å
133	T	57.1	Low	56.5	Low	36 Å²	36	77.8 Å²	77.8	22%	0.221	39%	0.39	C	S	.	.			trans	-95.8	115.8	-174.4	-45.1	0	0	0	0	113.4	S127 Q149 T151	S127-T133 PolarHBondContact N-O 3.47Å; T133-Q149 HydrophobicContact CG2-CG 4.01Å; T133-T151 HydrophobicContact CG2-CG2 3.72Å; T133-T151 VanDerWaalsContact OG1-CG2 3.29Å; T133-T151 WeakPolarHBondContact OG1-CG2 3.27Å
134	V	56	Low	56.1	Low	26 Å²	26	74.3 Å²	74.3	16%	0.158	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.7	170.8	160.7	0	0	0	0	108.2	V136 F150 F172	V134-V136 HydrophobicContact CG1-CG2 4Å; V134-F150 HydrophobicContact CB-CB 4.38Å; V134-F150 HydrophobicContact CG1-CD2 4.09Å; V134-F150 PolarHBondContact O-N 3.13Å; V134-F172 HydrophobicContact CB-CE1 4.31Å; V134-F172 HydrophobicContact CB-CZ 4.04Å; V134-F172 HydrophobicContact CG1-CE1 3.64Å; V134-F172 HydrophobicContact CG1-CE2 3.85Å; V134-F172 HydrophobicContact CG1-CZ 3.05Å; V134-F172 HydrophobicContact CG2-CE1 3.77Å; V134-F172 HydrophobicContact CG2-CE2 4.26Å; V134-F172 HydrophobicContact CG2-CZ 3.79Å
135	M	59.9	Low	55.9	Low	62 Å²	62	74.4 Å²	74.4	31%	0.305	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.2	169.7	177.7	175.3	74.7	0	0	108.6	T125 Y147	T125-M135 HydrophobicContact CG2-CE 4.43Å; T125-M135 PolarHBondContact N-O 3.29Å; T125-M135 PolarHBondContact O-N 2.86Å; T125-M135 WeakPolarHBondContact OG1-CB 3.2Å; T125-M135 WeakPolarHBondContact OG1-CE 3.34Å; M135-Y147 HydrophobicContact CE-CD1 4.33Å; M135-Y147 HydrophobicContact CG-CD1 4.41Å; M135-Y147 HydrophobicContact SD-CD1 3.72Å; M135-Y147 HydrophobicContact SD-CE1 4.47Å
136	V	61.1	Low	55.5	Low	3 Å²	3	74.4 Å²	74.4	2%	0.018	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.1	172.5	-172.8	0	0	0	0	107.4	I121 I124 V134 F138 V148 F150 F172	I121-V136 HydrophobicContact CB-CG1 4.15Å; I121-V136 HydrophobicContact CD1-CG1 4.07Å; I121-V136 HydrophobicContact CG1-CG1 3.71Å; I121-V136 HydrophobicContact CG2-CG1 3.47Å; I121-V136 VanDerWaalsContact CG2-CG1 3.47Å; I124-V136 HydrophobicContact CG1-CG1 4.43Å; V134-V136 HydrophobicContact CG1-CG2 4Å; V136-F138 HydrophobicContact CB-CD2 4.42Å; V136-F138 HydrophobicContact CB-CE2 3.77Å; V136-F138 HydrophobicContact CB-CZ 4.44Å; V136-F138 HydrophobicContact CG1-CD2 3.93Å; V136-F138 HydrophobicContact CG1-CE1 4.49Å; V136-F138 HydrophobicContact CG1-CE2 3.31Å; V136-F138 HydrophobicContact CG1-CZ 3.64Å; V136-V148 PolarHBondContact N-O 2.88Å; V136-V148 PolarHBondContact O-N 2.85Å; V136-F150 HydrophobicContact CB-CE2 3.69Å; V136-F150 HydrophobicContact CB-CZ 4.45Å; V136-F150 HydrophobicContact CG2-CD2 3.98Å; V136-F150 HydrophobicContact CG2-CE2 3.38Å; V136-F150 HydrophobicContact CG2-CZ 4.1Å; V136-F172 HydrophobicContact CG2-CZ 4.45Å
137	L	59	Low	55.2	Low	13 Å²	13	75 Å²	75	7%	0.068	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.6	175.4	179.5	62.4	0	0	0	109.3	I121 I122 K123 D145 F146 Y147	I121-L137 CarbonylContact C-O 3.2Å; I121-L137 WeakPolarHBondContact CA-O 3.27Å; I122-L137 HydrophobicContact CB-CD2 4.38Å; I122-L137 HydrophobicContact CB-CG 4.48Å; I122-L137 HydrophobicContact CD1-CD2 3.98Å; I122-L137 HydrophobicContact CD1-CG 3.97Å; I122-L137 PolarHBondContact N-O 3.36Å; K123-L137 HydrophobicContact CB-CB 4.05Å; K123-L137 HydrophobicContact CB-CD2 4.13Å; K123-L137 WeakPolarHBondContact O-CB 3.15Å; K123-L137 PolarHBondContact O-N 2.78Å; L137-D145 HydrophobicContact CD1-CB 3.62Å; L137-D145 HydrophobicContact CD2-CB 4.4Å; L137-D145 HydrophobicContact CG-CB 4.35Å; L137-F146 VanDerWaalsContact CD1-O 3.24Å; L137-F146 WeakPolarHBondContact CD1-O 3.45Å; L137-Y147 HydrophobicContact CB-CD1 4.44Å; L137-Y147 HydrophobicContact CD1-CD1 3.35Å; L137-Y147 HydrophobicContact CD1-CD2 4.06Å; L137-Y147 HydrophobicContact CD1-CE1 3.21Å; L137-Y147 HydrophobicContact CD1-CE2 3.93Å; L137-Y147 HydrophobicContact CD1-CG 3.77Å; L137-Y147 HydrophobicContact CD2-CE1 4.2Å; L137-Y147 HydrophobicContact CG-CD1 4.38Å; L137-Y147 HydrophobicContact CG-CE1 4.15Å
138	F	62.3	Low	55	Low	1 Å²	1	72.6 Å²	72.6	0%	0.004	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	145.6	175.4	-68.9	-96.2	0	0	0	111.1	L119 R120 I121 V136 D145 F146 V148 L161 L183	L119-F138 HydrophobicContact CB-CD1 4.28Å; L119-F138 HydrophobicContact CD2-CB 4.47Å; R120-F138 CarbonylContact O-C 3.58Å; R120-F138 WeakPolarHBondContact O-CA 3.28Å; I121-F138 HydrophobicContact CB-CD1 4.5Å; I121-F138 HydrophobicContact CB-CE1 4.4Å; I121-F138 HydrophobicContact CD1-CE1 4.05Å; I121-F138 HydrophobicContact CD1-CZ 4.14Å; I121-F138 HydrophobicContact CG1-CD1 3.69Å; I121-F138 HydrophobicContact CG1-CE1 3.2Å; I121-F138 HydrophobicContact CG1-CE2 4.35Å; I121-F138 HydrophobicContact CG1-CG 4.45Å; I121-F138 HydrophobicContact CG1-CZ 3.56Å; V136-F138 HydrophobicContact CB-CD2 4.42Å; V136-F138 HydrophobicContact CB-CE2 3.77Å; V136-F138 HydrophobicContact CB-CZ 4.44Å; V136-F138 HydrophobicContact CG1-CD2 3.93Å; V136-F138 HydrophobicContact CG1-CE1 4.49Å; V136-F138 HydrophobicContact CG1-CE2 3.31Å; V136-F138 HydrophobicContact CG1-CZ 3.64Å; F138-D145 CarbonylContact O-C 3.57Å; F138-D145 WeakPolarHBondContact O-CA 3.39Å; F138-F146 HydrophobicContact CB-CD1 3.52Å; F138-F146 HydrophobicContact CB-CD2 4.18Å; F138-F146 HydrophobicContact CB-CE1 3.01Å; F138-F146 HydrophobicContact CB-CE2 3.69Å; F138-F146 HydrophobicContact CB-CG 4.12Å; F138-F146 HydrophobicContact CB-CZ 3.1Å; F138-F146 AromaticContact CD1-CZ 4Å; F138-F146 HydrophobicContact CD1-CZ 4Å; F138-F146 HydrophobicContact CD2-CD2 4.35Å; F138-F146 AromaticContact CD2-CE2 3.64Å; F138-F146 HydrophobicContact CD2-CE2 3.64Å; F138-F146 AromaticContact CD2-CZ 3.77Å; F138-F146 HydrophobicContact CD2-CZ 3.77Å; F138-F146 HydrophobicContact CE2-CE2 4.47Å; F138-F146 AromaticContact CG-CE1 3.86Å; F138-F146 HydrophobicContact CG-CE1 3.86Å; F138-F146 AromaticContact CG-CE2 3.78Å; F138-F146 HydrophobicContact CG-CE2 3.78Å; F138-F146 AromaticContact CG-CZ 3.38Å; F138-F146 HydrophobicContact CG-CZ 3.38Å; F138-F146 PolarHBondContact N-O 3.18Å; F138-F146 PolarHBondContact O-N 3.21Å; F138-V148 HydrophobicContact CD2-CG2 4.1Å; F138-V148 HydrophobicContact CE2-CB 4.34Å; F138-V148 HydrophobicContact CE2-CG2 4.02Å; F138-L161 HydrophobicContact CD2-CD1 4.42Å; F138-L161 HydrophobicContact CE1-CD1 4.09Å; F138-L161 HydrophobicContact CE2-CD1 3.34Å; F138-L161 HydrophobicContact CZ-CD1 3.14Å; F138-L183 HydrophobicContact CE1-CD1 3.81Å; F138-L183 HydrophobicContact CZ-CD1 4.43Å
139	R	57	Low	54.8	Low	96 Å²	96	72.6 Å²	72.6	36%	0.362	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	125.6	171.2	-157	143.1	-88.2	169.5	0.3	109.8	R120 I122 D145	R120-R139 PolarHBondContact O-N 2.87Å; I122-R139 HydrophobicContact CD1-CB 3.38Å; I122-R139 HydrophobicContact CD1-CG 3.94Å; I122-R139 HydrophobicContact CG1-CB 3.54Å; I122-R139 HydrophobicContact CG1-CG 4.46Å; R139-D145 IonicContact CZ-OD1 2.83Å; R139-D145 IonicContact NE-OD1 2.91Å; R139-D145 PolarHBondContact NE-OD1 3.34Å; R139-D145 IonicContact NH2-OD1 2.74Å; R139-D145 PolarHBondContact NH2-OD1 2.94Å; R139-D145 IonicContact NH2-OD2 3.24Å; R139-D145 PolarHBondContact NH2-OD2 3.09Å
140	H	58.3	Low	54.9	Low	48 Å²	48	64.6 Å²	64.6	22%	0.222	31%	0.311	C	S	.	.			trans	-78.9	158.1	153.3	-68.7	-80.2	0	0	0	110.3	N142 N143 S144 F146	H140-N142 WeakPolarHBondContact CB-OD1 3.37Å; H140-N142 PolarHBondContact O-N 3.29Å; H140-N143 PolarHBondContact O-N 3.47Å; H140-S144 WeakPolarHBondContact CB-O 3.37Å; H140-S144 PolarHBondContact N-O 2.97Å; H140-F146 AromaticContact CD2-CD1 3.22Å; H140-F146 WeakPolarHBondContact CD2-CD1 3.06Å; H140-F146 AromaticContact CD2-CE1 3.8Å; H140-F146 AromaticContact CE1-CD1 3.86Å; H140-F146 AromaticContact CE1-CE1 3.78Å; H140-F146 AromaticContact NE2-CD1 3.05Å; H140-F146 WeakPolarHBondContact NE2-CD1 3.13Å; H140-F146 AromaticContact NE2-CE1 3.43Å; H140-F146 WeakPolarHBondContact NE2-CE1 3.49Å; H140-F146 AromaticContact NE2-CG 3.68Å
141	T	53.8	Low	54.9	Low	43 Å²	43	61.6 Å²	61.6	26%	0.264	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-13	-175	48.6	0	0	0	0	115.4	I82 L83 N143	I82-T141 HydrophobicContact CB-CG2 3.97Å; I82-T141 HydrophobicContact CD1-CG2 4.39Å; I82-T141 WeakPolarHBondContact CD1-OG1 3.26Å; I82-T141 HydrophobicContact CG1-CG2 3.94Å; I82-T141 WeakPolarHBondContact CG1-OG1 3.11Å; L83-T141 WeakPolarHBondContact O-CG2 3.26Å; L83-T141 PolarHBondContact O-OG1 3.34Å; T141-N143 PolarHBondContact O-N 3.36Å
142	N	51.4	Low	54.6	Low	109 Å²	109	56.3 Å²	56.3	58%	0.583	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	12.3	167.2	64.5	-14.3	0	0	0	113.1	H140 S144	H140-N142 WeakPolarHBondContact CB-OD1 3.37Å; H140-N142 PolarHBondContact O-N 3.29Å; N142-S144 VanDerWaalsContact CG-OG 3.31Å; N142-S144 PolarHBondContact ND2-OG 3.47Å; N142-S144 VanDerWaalsContact ND2-OG 3.08Å; N142-S144 PolarHBondContact O-N 2.83Å; N142-S144 WeakPolarHBondContact OD1-CB 2.87Å; N142-S144 PolarHBondContact OD1-N 3.07Å; N142-S144 PolarHBondContact OD1-OG 2.85Å
143	N	49	Very low	54.3	Low	125 Å²	125	60.8 Å²	60.8	67%	0.668	30%	0.303	S	S	*	.	S	Bend	trans	60	15.3	-170.5	-59.6	-37.3	0	0	0	114.3	H140 T141 D145	H140-N143 PolarHBondContact O-N 3.47Å; T141-N143 PolarHBondContact O-N 3.36Å; N143-D145 PolarHBondContact O-N 3.15Å
144	S	49.9	Very low	53.9	Low	49 Å²	49	66 Å²	66	34%	0.343	33%	0.325	S	S	.	.			trans	-79.5	119.1	166.8	71.9	0	0	0	0	108.5	H140 N142	H140-S144 WeakPolarHBondContact CB-O 3.37Å; H140-S144 PolarHBondContact N-O 2.97Å; N142-S144 VanDerWaalsContact CG-OG 3.31Å; N142-S144 PolarHBondContact ND2-OG 3.47Å; N142-S144 VanDerWaalsContact ND2-OG 3.08Å; N142-S144 PolarHBondContact O-N 2.83Å; N142-S144 WeakPolarHBondContact OD1-CB 2.87Å; N142-S144 PolarHBondContact OD1-N 3.07Å; N142-S144 PolarHBondContact OD1-OG 2.85Å
145	D	53.6	Low	53.3	Low	53 Å²	53	66.5 Å²	66.5	28%	0.283	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	130.7	174.3	-72.5	-8.4	0	0	0	108.2	I122 L137 F138 R139 N143 Y147	I122-D145 WeakPolarHBondContact CD1-OD1 2.89Å; L137-D145 HydrophobicContact CD1-CB 3.62Å; L137-D145 HydrophobicContact CD2-CB 4.4Å; L137-D145 HydrophobicContact CG-CB 4.35Å; F138-D145 CarbonylContact O-C 3.57Å; F138-D145 WeakPolarHBondContact O-CA 3.39Å; R139-D145 IonicContact CZ-OD1 2.83Å; R139-D145 IonicContact NE-OD1 2.91Å; R139-D145 PolarHBondContact NE-OD1 3.34Å; R139-D145 IonicContact NH2-OD1 2.74Å; R139-D145 PolarHBondContact NH2-OD1 2.94Å; R139-D145 IonicContact NH2-OD2 3.24Å; R139-D145 PolarHBondContact NH2-OD2 3.09Å; N143-D145 PolarHBondContact O-N 3.15Å; D145-Y147 HydrophobicContact CB-CE2 4.35Å
146	F	51	Low	52.4	Low	36 Å²	36	69.6 Å²	69.6	16%	0.158	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	147.2	167.1	76.4	-81.5	0	0	0	110.5	V87 L119 L137 F138 H140 V148	V87-F146 HydrophobicContact CG2-CE2 4.25Å; V87-F146 HydrophobicContact CG2-CZ 4.05Å; L119-F146 HydrophobicContact CD1-CZ 3.94Å; L119-F146 HydrophobicContact CD2-CD1 4.39Å; L119-F146 HydrophobicContact CD2-CE1 3.12Å; L119-F146 HydrophobicContact CD2-CZ 3.34Å; L119-F146 HydrophobicContact CG-CE1 4.44Å; L119-F146 HydrophobicContact CG-CZ 4.29Å; L137-F146 VanDerWaalsContact CD1-O 3.24Å; L137-F146 WeakPolarHBondContact CD1-O 3.45Å; F138-F146 HydrophobicContact CB-CD1 3.52Å; F138-F146 HydrophobicContact CB-CD2 4.18Å; F138-F146 HydrophobicContact CB-CE1 3.01Å; F138-F146 HydrophobicContact CB-CE2 3.69Å; F138-F146 HydrophobicContact CB-CG 4.12Å; F138-F146 HydrophobicContact CB-CZ 3.1Å; F138-F146 AromaticContact CD1-CZ 4Å; F138-F146 HydrophobicContact CD1-CZ 4Å; F138-F146 HydrophobicContact CD2-CD2 4.35Å; F138-F146 AromaticContact CD2-CE2 3.64Å; F138-F146 HydrophobicContact CD2-CE2 3.64Å; F138-F146 AromaticContact CD2-CZ 3.77Å; F138-F146 HydrophobicContact CD2-CZ 3.77Å; F138-F146 HydrophobicContact CE2-CE2 4.47Å; F138-F146 AromaticContact CG-CE1 3.86Å; F138-F146 HydrophobicContact CG-CE1 3.86Å; F138-F146 AromaticContact CG-CE2 3.78Å; F138-F146 HydrophobicContact CG-CE2 3.78Å; F138-F146 AromaticContact CG-CZ 3.38Å; F138-F146 HydrophobicContact CG-CZ 3.38Å; F138-F146 PolarHBondContact N-O 3.18Å; F138-F146 PolarHBondContact O-N 3.21Å; H140-F146 AromaticContact CD2-CD1 3.22Å; H140-F146 WeakPolarHBondContact CD2-CD1 3.06Å; H140-F146 AromaticContact CD2-CE1 3.8Å; H140-F146 AromaticContact CE1-CD1 3.86Å; H140-F146 AromaticContact CE1-CE1 3.78Å; H140-F146 AromaticContact NE2-CD1 3.05Å; H140-F146 WeakPolarHBondContact NE2-CD1 3.13Å; H140-F146 AromaticContact NE2-CE1 3.43Å; H140-F146 WeakPolarHBondContact NE2-CE1 3.49Å; H140-F146 AromaticContact NE2-CG 3.68Å; F146-V148 HydrophobicContact CD2-CG2 3.98Å; F146-V148 HydrophobicContact CE2-CG2 3.74Å
147	Y	55	Low	51.4	Low	135 Å²	135	72.6 Å²	72.6	53%	0.529	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.2	-171	-56.9	-97.4	0	0	0	107.7	M135 L137 D145	M135-Y147 HydrophobicContact CE-CD1 4.33Å; M135-Y147 HydrophobicContact CG-CD1 4.41Å; M135-Y147 HydrophobicContact SD-CD1 3.72Å; M135-Y147 HydrophobicContact SD-CE1 4.47Å; L137-Y147 HydrophobicContact CB-CD1 4.44Å; L137-Y147 HydrophobicContact CD1-CD1 3.35Å; L137-Y147 HydrophobicContact CD1-CD2 4.06Å; L137-Y147 HydrophobicContact CD1-CE1 3.21Å; L137-Y147 HydrophobicContact CD1-CE2 3.93Å; L137-Y147 HydrophobicContact CD1-CG 3.77Å; L137-Y147 HydrophobicContact CD2-CE1 4.2Å; L137-Y147 HydrophobicContact CG-CD1 4.38Å; L137-Y147 HydrophobicContact CG-CE1 4.15Å; D145-Y147 HydrophobicContact CB-CE2 4.35Å
148	V	54.2	Low	50.8	Low	2 Å²	2	79.2 Å²	79.2	1%	0.012	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	115	164.6	-175	0	0	0	0	107.1	V136 F138 F146 F150 E160 L161	V136-V148 PolarHBondContact N-O 2.88Å; V136-V148 PolarHBondContact O-N 2.85Å; F138-V148 HydrophobicContact CD2-CG2 4.1Å; F138-V148 HydrophobicContact CE2-CB 4.34Å; F138-V148 HydrophobicContact CE2-CG2 4.02Å; F146-V148 HydrophobicContact CD2-CG2 3.98Å; F146-V148 HydrophobicContact CE2-CG2 3.74Å; V148-F150 HydrophobicContact CB-CD2 4.44Å; V148-F150 HydrophobicContact CB-CE2 3.65Å; V148-F150 HydrophobicContact CB-CZ 3.99Å; V148-F150 HydrophobicContact CG1-CD2 4Å; V148-F150 HydrophobicContact CG1-CE1 4.06Å; V148-F150 HydrophobicContact CG1-CE2 3.41Å; V148-F150 VanDerWaalsContact CG1-CE2 3.41Å; V148-F150 HydrophobicContact CG1-CZ 3.45Å; V148-F150 VanDerWaalsContact CG1-CZ 3.45Å; V148-F150 WeakPolarHBondContact O-CD2 3.46Å; V148-F150 WeakPolarHBondContact O-CE2 3.2Å; V148-E160 HydrophobicContact CG1-CB 4.06Å; V148-E160 HydrophobicContact CG1-CG 4.38Å; V148-L161 HydrophobicContact CG1-CG 4.37Å; V148-L161 HydrophobicContact CG2-CD1 4.13Å; V148-L161 HydrophobicContact CG2-CD2 4.22Å; V148-L161 HydrophobicContact CG2-CG 4.11Å
149	Q	52.8	Low	50.4	Low	121 Å²	121	80.4 Å²	80.4	57%	0.565	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	122.1	173	-175.4	175.8	-7.4	0	0	108.9	T133 T151	T133-Q149 HydrophobicContact CG2-CG 4.01Å; Q149-T151 PolarHBondContact NE2-OG1 3.41Å
150	F	55.4	Low	50.1	Low	7 Å²	7	81 Å²	81	3%	0.031	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	83	-178.9	-61.7	-103.9	0	0	0	109.4	V134 V136 V148 S159 L161 L163 L168	V134-F150 HydrophobicContact CB-CB 4.38Å; V134-F150 HydrophobicContact CG1-CD2 4.09Å; V134-F150 PolarHBondContact O-N 3.13Å; V136-F150 HydrophobicContact CB-CE2 3.69Å; V136-F150 HydrophobicContact CB-CZ 4.45Å; V136-F150 HydrophobicContact CG2-CD2 3.98Å; V136-F150 HydrophobicContact CG2-CE2 3.38Å; V136-F150 HydrophobicContact CG2-CZ 4.1Å; V148-F150 HydrophobicContact CB-CD2 4.44Å; V148-F150 HydrophobicContact CB-CE2 3.65Å; V148-F150 HydrophobicContact CB-CZ 3.99Å; V148-F150 HydrophobicContact CG1-CD2 4Å; V148-F150 HydrophobicContact CG1-CE1 4.06Å; V148-F150 HydrophobicContact CG1-CE2 3.41Å; V148-F150 VanDerWaalsContact CG1-CE2 3.41Å; V148-F150 HydrophobicContact CG1-CZ 3.45Å; V148-F150 VanDerWaalsContact CG1-CZ 3.45Å; V148-F150 WeakPolarHBondContact O-CD2 3.46Å; V148-F150 WeakPolarHBondContact O-CE2 3.2Å; F150-S159 VanDerWaalsContact CD1-CA 3.44Å; F150-S159 VanDerWaalsContact CD1-CB 3.48Å; F150-S159 VanDerWaalsContact CE1-CA 3.48Å; F150-L161 HydrophobicContact CZ-CD1 4.19Å; F150-L163 HydrophobicContact CE1-CB 4.34Å; F150-L163 HydrophobicContact CE1-CD1 4.02Å; F150-L163 HydrophobicContact CZ-CD1 3.99Å; F150-L168 HydrophobicContact CB-CD1 4.31Å; F150-L168 HydrophobicContact CD1-CD1 3.62Å; F150-L168 HydrophobicContact CD1-CD2 4.37Å; F150-L168 HydrophobicContact CE1-CD1 4.05Å; F150-L168 HydrophobicContact CE1-CD2 4.01Å; F150-L168 HydrophobicContact CG-CD1 4Å; F150-L168 HydrophobicContact CZ-CD2 4.19Å
151	T	50.3	Low	49.9	Very low	39 Å²	39	78.9 Å²	78.9	24%	0.239	40%	0.396	C	S	.	.			trans	-161	139.5	168.2	42.5	0	0	0	0	113.7	K132 T133 Q149	K132-T151 VanDerWaalsContact O-CG2 3.28Å; K132-T151 WeakPolarHBondContact O-CG2 3.44Å; T133-T151 HydrophobicContact CG2-CG2 3.72Å; T133-T151 VanDerWaalsContact OG1-CG2 3.29Å; T133-T151 WeakPolarHBondContact OG1-CG2 3.27Å; Q149-T151 PolarHBondContact NE2-OG1 3.41Å
152	N	44.6	Very low	49.9	Very low	71 Å²	71	77.5 Å²	77.5	38%	0.38	39%	0.391	S	S	.	.			trans	-110.7	174.3	147.6	77.4	1.2	0	0	0	111.2	E154 G155 K156	N152-E154 PolarHBondContact O-N 3.14Å; N152-E154 VanDerWaalsContact O-N 3.13Å; N152-E154 PolarHBondContact OD1-N 3.37Å; N152-G155 PolarHBondContact O-N 3.35Å; N152-G155 PolarHBondContact OD1-N 2.95Å; N152-K156 PolarHBondContact N-O 2.76Å; N152-K156 PolarHBondContact OD1-N 2.88Å; N152-K156 PolarHBondContact OD1-O 3.31Å
153	E	49.1	Very low	50.2	Low	202 Å²	202	72.6 Å²	72.6	94%	0.944	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.9	-171.5	-62.6	179.3	171.1	0	0	114.2
154	E	48.6	Very low	50.6	Low	145 Å²	145	68.1 Å²	68.1	68%	0.678	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-0.1	176.6	-63.6	179.4	176.9	0	0	113.6	N152 K156	N152-E154 PolarHBondContact O-N 3.14Å; N152-E154 VanDerWaalsContact O-N 3.13Å; N152-E154 PolarHBondContact OD1-N 3.37Å; E154-K156 IonicContact OE2-NZ 3.48Å; E154-K156 PolarHBondContact OE2-NZ 3.49Å
155	G	43.1	Very low	50.8	Low	36 Å²	36	73 Å²	73	37%	0.371	36%	0.358	S	S	.	.	S	Bend	trans	75	21.3	-176.2	0	0	0	0	0	114.9	N152	N152-G155 PolarHBondContact O-N 3.35Å; N152-G155 PolarHBondContact OD1-N 2.95Å
156	K	40.5	Very low	51.1	Low	127 Å²	127	74.7 Å²	74.7	55%	0.552	37%	0.367	S	S	*	.			trans	-86.5	139.3	169.7	-68.5	174.7	-176.6	143.2	0	110.1	N152 E154 K158	N152-K156 PolarHBondContact N-O 2.76Å; N152-K156 PolarHBondContact OD1-N 2.88Å; N152-K156 PolarHBondContact OD1-O 3.31Å; E154-K156 IonicContact OE2-NZ 3.48Å; E154-K156 PolarHBondContact OE2-NZ 3.49Å; K156-K158 PolarHBondContact O-N 3.01Å
157	L	41.3	Very low	51.5	Low	67 Å²	67	73.7 Å²	73.7	35%	0.351	36%	0.364	S	S	.	.			trans	-63	126.5	-178	-98.5	87.5	0	0	0	111.2	L163 K165 L168	L157-L163 WeakPolarHBondContact CD2-O 3.4Å; L157-K165 HydrophobicContact CD1-CB 3.41Å; L157-K165 VanDerWaalsContact CD1-CB 3.41Å; L157-K165 HydrophobicContact CD1-CD 4.21Å; L157-K165 HydrophobicContact CD1-CG 3.69Å; L157-K165 HydrophobicContact CD2-CB 4.46Å; L157-K165 VanDerWaalsContact CD2-N 3.26Å; L157-L168 HydrophobicContact CD2-CD1 3.5Å; L157-L168 VanDerWaalsContact CD2-CD1 3.5Å; L157-L168 HydrophobicContact CD2-CG 4.28Å; L157-L168 HydrophobicContact CG-CD1 4.17Å
158	K	46.2	Very low	51.7	Low	152 Å²	152	67.8 Å²	67.8	66%	0.661	34%	0.341	S	S	*	.			trans	-120.5	84	157	-161.3	-179.3	-177.4	-172	0	106.6	K156	K156-K158 PolarHBondContact O-N 3.01Å
159	S	52.5	Low	51.8	Low	25 Å²	25	73.7 Å²	73.7	18%	0.175	36%	0.363	C	S	.	.			trans	-77.8	116.9	167.1	54.3	0	0	0	0	107.9	F150 L161 G162 L163	F150-S159 VanDerWaalsContact CD1-CA 3.44Å; F150-S159 VanDerWaalsContact CD1-CB 3.48Å; F150-S159 VanDerWaalsContact CE1-CA 3.48Å; S159-L161 PolarHBondContact O-N 3.21Å; S159-G162 PolarHBondContact O-N 3.38Å; S159-G162 VanDerWaalsContact O-N 3.12Å; S159-G162 VanDerWaalsContact OG-C 3.31Å; S159-G162 WeakPolarHBondContact OG-CA 3.41Å; S159-G162 PolarHBondContact OG-N 2.94Å; S159-L163 VanDerWaalsContact CB-N 3.34Å; S159-L163 PolarHBondContact OG-N 3.24Å; S159-L163 PolarHBondContact OG-O 3.12Å
160	E	51.9	Low	52.1	Low	110 Å²	110	72.7 Å²	72.7	51%	0.514	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-6.6	165	-61.3	-176.8	164.4	0	0	112.1	V148	V148-E160 HydrophobicContact CG1-CB 4.06Å; V148-E160 HydrophobicContact CG1-CG 4.38Å
161	L	54	Low	52.2	Low	2 Å²	2	73.6 Å²	73.6	1%	0.01	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-4.4	179.2	-57	-175.3	0	0	0	114.3	V87 F138 V148 F150 S159 L163 F192	V87-L161 HydrophobicContact CG1-CD2 3.93Å; F138-L161 HydrophobicContact CD2-CD1 4.42Å; F138-L161 HydrophobicContact CE1-CD1 4.09Å; F138-L161 HydrophobicContact CE2-CD1 3.34Å; F138-L161 HydrophobicContact CZ-CD1 3.14Å; V148-L161 HydrophobicContact CG1-CG 4.37Å; V148-L161 HydrophobicContact CG2-CD1 4.13Å; V148-L161 HydrophobicContact CG2-CD2 4.22Å; V148-L161 HydrophobicContact CG2-CG 4.11Å; F150-L161 HydrophobicContact CZ-CD1 4.19Å; S159-L161 PolarHBondContact O-N 3.21Å; L161-L163 HydrophobicContact CB-CD1 4.05Å; L161-L163 HydrophobicContact CB-CG 4.14Å; L161-L163 HydrophobicContact CD1-CD1 4.05Å; L161-F192 HydrophobicContact CB-CD2 3.91Å; L161-F192 HydrophobicContact CB-CE2 3.8Å; L161-F192 HydrophobicContact CD1-CE2 4.23Å; L161-F192 HydrophobicContact CD2-CE2 3.96Å; L161-F192 HydrophobicContact CG-CE2 4.18Å; L161-F192 WeakPolarHBondContact O-CD2 3.43Å
162	G	54	Low	52.3	Low	15 Å²	15	75.1 Å²	75.1	16%	0.155	37%	0.366	C	S	.	.			trans	68.5	29.3	-174.5	0	0	0	0	0	115.7	S159	S159-G162 PolarHBondContact O-N 3.38Å; S159-G162 VanDerWaalsContact O-N 3.12Å; S159-G162 VanDerWaalsContact OG-C 3.31Å; S159-G162 WeakPolarHBondContact OG-CA 3.41Å; S159-G162 PolarHBondContact OG-N 2.94Å
163	L	57.1	Low	52.9	Low	6 Å²	6	78.3 Å²	78.3	3%	0.031	38%	0.378	C	S	.	.			trans	-87.3	132	176.8	-70.4	165.9	0	0	0	111.6	F150 L157 S159 L161 T167 L168 Y197	F150-L163 HydrophobicContact CE1-CB 4.34Å; F150-L163 HydrophobicContact CE1-CD1 4.02Å; F150-L163 HydrophobicContact CZ-CD1 3.99Å; L157-L163 WeakPolarHBondContact CD2-O 3.4Å; S159-L163 VanDerWaalsContact CB-N 3.34Å; S159-L163 PolarHBondContact OG-N 3.24Å; S159-L163 PolarHBondContact OG-O 3.12Å; L161-L163 HydrophobicContact CB-CD1 4.05Å; L161-L163 HydrophobicContact CB-CG 4.14Å; L161-L163 HydrophobicContact CD1-CD1 4.05Å; L163-T167 HydrophobicContact CD2-CG2 3.6Å; L163-L168 HydrophobicContact CB-CD2 4.11Å; L163-L168 HydrophobicContact CB-CG 4.16Å; L163-L168 HydrophobicContact CD1-CD2 3.74Å; L163-L168 HydrophobicContact CG-CD2 4.49Å; L163-Y197 HydrophobicContact CD2-CD2 4.42Å; L163-Y197 HydrophobicContact CD2-CE1 4.06Å; L163-Y197 HydrophobicContact CD2-CE2 3.52Å; L163-Y197 WeakPolarHBondContact CD2-OH 3.23Å
164	S	57.5	Low	53.1	Low	31 Å²	31	73.3 Å²	73.3	22%	0.217	36%	0.355	C	S	.	.			trans	-71.2	163.9	168.4	68.2	0	0	0	0	114	D166 T167 L168 E194	S164-D166 VanDerWaalsContact C-N 3.26Å; S164-D166 PolarHBondContact O-N 3.31Å; S164-T167 PolarHBondContact O-N 3.24Å; S164-T167 PolarHBondContact OG-N 2.8Å; S164-T167 PolarHBondContact OG-OG1 2.73Å; S164-L168 WeakPolarHBondContact O-CB 3.27Å; S164-L168 WeakPolarHBondContact O-CG 3.12Å; S164-L168 PolarHBondContact O-N 3.48Å; S164-E194 WeakPolarHBondContact CA-OE1 3.42Å; S164-E194 VanDerWaalsContact CB-CD 3.46Å; S164-E194 WeakPolarHBondContact CB-OE1 3.33Å; S164-E194 VanDerWaalsContact CB-OE2 3.22Å; S164-E194 WeakPolarHBondContact CB-OE2 3.37Å; S164-E194 PolarHBondContact N-OE1 3.02Å; S164-E194 PolarHBondContact OG-OE1 2.99Å; S164-E194 PolarHBondContact OG-OE2 2.84Å
165	K	54.8	Low	53.2	Low	150 Å²	150	75.6 Å²	75.6	65%	0.652	36%	0.362	S	S	*	.	H	α-helix	trans	-56.1	-41	173.7	-164.5	174.1	176.1	-179.4	0	112.5	L157 R169	L157-K165 HydrophobicContact CD1-CB 3.41Å; L157-K165 VanDerWaalsContact CD1-CB 3.41Å; L157-K165 HydrophobicContact CD1-CD 4.21Å; L157-K165 HydrophobicContact CD1-CG 3.69Å; L157-K165 HydrophobicContact CD2-CB 4.46Å; L157-K165 VanDerWaalsContact CD2-N 3.26Å; K165-R169 WeakPolarHBondContact O-CB 3.48Å; K165-R169 PolarHBondContact O-N 3.49Å
166	D	59	Low	53.4	Low	90 Å²	90	77.1 Å²	77.1	48%	0.481	37%	0.372	S	S	.	.	H	α-helix	trans	-73.7	-41.8	-175.3	-73.1	-29.7	0	0	0	111	S164 L168 R169 K170	S164-D166 VanDerWaalsContact C-N 3.26Å; S164-D166 PolarHBondContact O-N 3.31Å; D166-L168 VanDerWaalsContact C-N 3.34Å; D166-R169 WeakPolarHBondContact O-CB 3.5Å; D166-R169 PolarHBondContact O-N 2.95Å; D166-R169 IonicContact OD1-NH2 3.71Å; D166-K170 WeakPolarHBondContact O-CG 2.99Å; D166-K170 PolarHBondContact O-N 2.78Å
167	T	60.5	Low	53.7	Low	15 Å²	15	72.4 Å²	72.4	9%	0.092	35%	0.352	C	S	.	.	H	α-helix	trans	-61.2	-45	172.9	-66.2	0	0	0	0	111	L163 S164 K170 L171 E194 Y197	L163-T167 HydrophobicContact CD2-CG2 3.6Å; S164-T167 PolarHBondContact O-N 3.24Å; S164-T167 PolarHBondContact OG-N 2.8Å; S164-T167 PolarHBondContact OG-OG1 2.73Å; T167-K170 PolarHBondContact O-N 2.99Å; T167-L171 WeakPolarHBondContact O-CG 3.15Å; T167-L171 PolarHBondContact O-N 2.77Å; T167-E194 PolarHBondContact OG1-OE2 3.12Å; T167-Y197 HydrophobicContact CG2-CD2 3.35Å; T167-Y197 HydrophobicContact CG2-CE2 3.66Å; T167-Y197 HydrophobicContact CG2-CG 3.97Å
168	L	59.1	Low	53.8	Low	10 Å²	10	76.8 Å²	76.8	5%	0.052	37%	0.371	C	S	.	.	H	α-helix	trans	-54	-58.4	170.2	-74.3	-176.6	0	0	0	109.6	F150 L157 L163 S164 D166 K170 L171 F172	F150-L168 HydrophobicContact CB-CD1 4.31Å; F150-L168 HydrophobicContact CD1-CD1 3.62Å; F150-L168 HydrophobicContact CD1-CD2 4.37Å; F150-L168 HydrophobicContact CE1-CD1 4.05Å; F150-L168 HydrophobicContact CE1-CD2 4.01Å; F150-L168 HydrophobicContact CG-CD1 4Å; F150-L168 HydrophobicContact CZ-CD2 4.19Å; L157-L168 HydrophobicContact CD2-CD1 3.5Å; L157-L168 VanDerWaalsContact CD2-CD1 3.5Å; L157-L168 HydrophobicContact CD2-CG 4.28Å; L157-L168 HydrophobicContact CG-CD1 4.17Å; L163-L168 HydrophobicContact CB-CD2 4.11Å; L163-L168 HydrophobicContact CB-CG 4.16Å; L163-L168 HydrophobicContact CD1-CD2 3.74Å; L163-L168 HydrophobicContact CG-CD2 4.49Å; S164-L168 WeakPolarHBondContact O-CB 3.27Å; S164-L168 WeakPolarHBondContact O-CG 3.12Å; S164-L168 PolarHBondContact O-N 3.48Å; D166-L168 VanDerWaalsContact C-N 3.34Å; L168-K170 VanDerWaalsContact C-N 3.26Å; L168-K170 PolarHBondContact O-N 3.38Å; L168-K170 VanDerWaalsContact O-N 3.14Å; L168-L171 HydrophobicContact CD2-CD1 4.3Å; L168-L171 WeakPolarHBondContact O-CA 2.93Å; L168-L171 WeakPolarHBondContact O-CB 3.43Å; L168-L171 PolarHBondContact O-N 2.04Å; L168-F172 VanDerWaalsContact C-CD2 3.42Å; L168-F172 HydrophobicContact CB-CD2 4.41Å; L168-F172 HydrophobicContact CB-CE2 3.89Å; L168-F172 HydrophobicContact CD2-CE2 4.31Å; L168-F172 WeakPolarHBondContact O-CD2 2.99Å; L168-F172 VanDerWaalsContact O-CE2 3.27Å; L168-F172 WeakPolarHBondContact O-CE2 3.43Å; L168-F172 PolarHBondContact O-N 2.8Å
169	R	55	Low	53.8	Low	127 Å²	127	74.7 Å²	74.7	48%	0.479	36%	0.362	S	S	.	.	H	α-helix	trans	-49.8	-43.5	-178.7	-172.2	-178.6	63.1	179.3	-6.4	113.2	K165 D166 L171 F172 E173	K165-R169 WeakPolarHBondContact O-CB 3.48Å; K165-R169 PolarHBondContact O-N 3.49Å; D166-R169 WeakPolarHBondContact O-CB 3.5Å; D166-R169 PolarHBondContact O-N 2.95Å; D166-R169 IonicContact OD1-NH2 3.71Å; R169-L171 VanDerWaalsContact C-N 3.32Å; R169-L171 PolarHBondContact O-N 2.95Å; R169-F172 PolarHBondContact O-N 2.94Å; R169-E173 VanDerWaalsContact CD-OE2 3.29Å; R169-E173 WeakPolarHBondContact CD-OE2 2.99Å; R169-E173 HydrophobicContact CG-CG 4.04Å; R169-E173 WeakPolarHBondContact CG-OE2 3.4Å; R169-E173 PolarHBondContact O-N 3.23Å
170	K	59.6	Low	53.5	Low	99 Å²	99	75.4 Å²	75.4	43%	0.43	37%	0.366	S	S	.	.	H	α-helix	trans	-57.7	-43.7	175.5	-68.8	178.8	179.7	175.6	0	112	D166 T167 L168 F172 E174 L177	D166-K170 WeakPolarHBondContact O-CG 2.99Å; D166-K170 PolarHBondContact O-N 2.78Å; T167-K170 PolarHBondContact O-N 2.99Å; L168-K170 VanDerWaalsContact C-N 3.26Å; L168-K170 PolarHBondContact O-N 3.38Å; L168-K170 VanDerWaalsContact O-N 3.14Å; K170-F172 PolarHBondContact O-N 2.02Å; K170-E174 WeakPolarHBondContact O-CB 3.23Å; K170-E174 PolarHBondContact O-N 2.04Å; K170-E174 VanDerWaalsContact O-N 3.09Å; K170-L177 HydrophobicContact CB-CD1 4.1Å
171	L	57.5	Low	53.4	Low	27 Å²	27	70.9 Å²	70.9	14%	0.141	35%	0.346	C	S	.	.	H	α-helix	trans	-60.1	-28.5	174.1	-61.5	166.4	0	0	0	113.5	T167 L168 R169 L177 L181	T167-L171 WeakPolarHBondContact O-CG 3.15Å; T167-L171 PolarHBondContact O-N 2.77Å; L168-L171 HydrophobicContact CD2-CD1 4.3Å; L168-L171 WeakPolarHBondContact O-CA 2.93Å; L168-L171 WeakPolarHBondContact O-CB 3.43Å; L168-L171 PolarHBondContact O-N 2.04Å; R169-L171 VanDerWaalsContact C-N 3.32Å; R169-L171 PolarHBondContact O-N 2.95Å; L171-L177 HydrophobicContact CD2-CD1 3.75Å; L171-L177 HydrophobicContact CG-CD1 4.23Å; L171-L181 HydrophobicContact CD2-CD1 3.12Å; L171-L181 HydrophobicContact CD2-CD2 4.12Å; L171-L181 HydrophobicContact CD2-CG 4.18Å
172	F	53	Low	53.4	Low	71 Å²	71	71.1 Å²	71.1	31%	0.311	35%	0.347	S	S	.	.	H	α-helix	trans	-89.7	-42.9	-179.4	-66.6	-92.5	0	0	0	114.1	I124 V134 V136 L168 R169 K170	I124-F172 HydrophobicContact CB-CE1 4.32Å; I124-F172 HydrophobicContact CG2-CD1 3.38Å; I124-F172 HydrophobicContact CG2-CE1 2.84Å; I124-F172 HydrophobicContact CG2-CG 4.44Å; I124-F172 HydrophobicContact CG2-CZ 3.4Å; I124-F172 VanDerWaalsContact CG2-CZ 3.4Å; V134-F172 HydrophobicContact CB-CE1 4.31Å; V134-F172 HydrophobicContact CB-CZ 4.04Å; V134-F172 HydrophobicContact CG1-CE1 3.64Å; V134-F172 HydrophobicContact CG1-CE2 3.85Å; V134-F172 HydrophobicContact CG1-CZ 3.05Å; V134-F172 HydrophobicContact CG2-CE1 3.77Å; V134-F172 HydrophobicContact CG2-CE2 4.26Å; V134-F172 HydrophobicContact CG2-CZ 3.79Å; V136-F172 HydrophobicContact CG2-CZ 4.45Å; L168-F172 VanDerWaalsContact C-CD2 3.42Å; L168-F172 HydrophobicContact CB-CD2 4.41Å; L168-F172 HydrophobicContact CB-CE2 3.89Å; L168-F172 HydrophobicContact CD2-CE2 4.31Å; L168-F172 WeakPolarHBondContact O-CD2 2.99Å; L168-F172 VanDerWaalsContact O-CE2 3.27Å; L168-F172 WeakPolarHBondContact O-CE2 3.43Å; L168-F172 PolarHBondContact O-N 2.8Å; R169-F172 PolarHBondContact O-N 2.94Å; K170-F172 PolarHBondContact O-N 2.02Å
173	E	56	Low	53.4	Low	138 Å²	138	70.9 Å²	70.9	65%	0.645	34%	0.343	S	S	*	.	H	α-helix	trans	-102.1	-30.6	-164.5	-66.3	179	-179.2	0	0	112.1	R169 K175	R169-E173 VanDerWaalsContact CD-OE2 3.29Å; R169-E173 WeakPolarHBondContact CD-OE2 2.99Å; R169-E173 HydrophobicContact CG-CG 4.04Å; R169-E173 WeakPolarHBondContact CG-OE2 3.4Å; R169-E173 PolarHBondContact O-N 3.23Å; E173-K175 PolarHBondContact O-N 3.25Å
174	E	54.9	Low	53.3	Low	97 Å²	97	70.8 Å²	70.8	45%	0.453	34%	0.342	S	S	.	.			trans	-89.5	101	179.8	-59.2	179.5	-173.7	0	0	108.8	K170 A176 L177	K170-E174 WeakPolarHBondContact O-CB 3.23Å; K170-E174 PolarHBondContact O-N 2.04Å; K170-E174 VanDerWaalsContact O-N 3.09Å; E174-A176 HydrophobicContact CB-CB 4.37Å; E174-A176 PolarHBondContact O-N 2.95Å; E174-L177 PolarHBondContact O-N 3Å; E174-L177 VanDerWaalsContact O-N 3.11Å
175	K	50.3	Low	53.2	Low	192 Å²	192	69.9 Å²	69.9	84%	0.835	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-18.6	166.7	-72.4	-172	177.4	-175.6	0	113.2	E173 L177 E178	E173-K175 PolarHBondContact O-N 3.25Å; K175-L177 PolarHBondContact O-N 2.85Å; K175-E178 VanDerWaalsContact O-CG 3.31Å; K175-E178 WeakPolarHBondContact O-CG 2.98Å
176	A	47.4	Very low	53.3	Low	69 Å²	69	68 Å²	68	57%	0.57	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.1	178.8	0	0	0	0	0	114	E174 E178	E174-A176 HydrophobicContact CB-CB 4.37Å; E174-A176 PolarHBondContact O-N 2.95Å; A176-E178 VanDerWaalsContact C-N 3.27Å; A176-E178 PolarHBondContact O-N 3.4Å
177	L	46.2	Very low	53	Low	27 Å²	27	65.5 Å²	65.5	14%	0.141	31%	0.313	C	S	.	.	S	Bend	trans	-90.8	62.1	171.8	-66.3	178.7	0	0	0	109.7	K170 L171 E174 K175 L181 P199	K170-L177 HydrophobicContact CB-CD1 4.1Å; L171-L177 HydrophobicContact CD2-CD1 3.75Å; L171-L177 HydrophobicContact CG-CD1 4.23Å; E174-L177 PolarHBondContact O-N 3Å; E174-L177 VanDerWaalsContact O-N 3.11Å; K175-L177 PolarHBondContact O-N 2.85Å; L177-L181 HydrophobicContact CB-CD2 3.87Å; L177-L181 HydrophobicContact CD1-CD2 4.38Å; L177-L181 HydrophobicContact CD2-CD2 3.72Å; L177-L181 HydrophobicContact CG-CD2 4.18Å; L177-P199 HydrophobicContact CD2-CB 3.96Å; L177-P199 HydrophobicContact CD2-CG 3.65Å
178	E	44.1	Very low	52.6	Low	160 Å²	160	67.3 Å²	67.3	75%	0.748	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-66.2	136	169.3	-66	-168.1	159.8	0	0	110	K175 A176	K175-E178 VanDerWaalsContact O-CG 3.31Å; K175-E178 WeakPolarHBondContact O-CG 2.98Å; A176-E178 VanDerWaalsContact C-N 3.27Å; A176-E178 PolarHBondContact O-N 3.4Å
179	F	44.4	Very low	52.3	Low	107 Å²	107	69.3 Å²	69.3	47%	0.469	35%	0.348	S	S	.	.	S	Bend	trans	-63.8	148.1	-177.7	-91.1	-87.4	0	0	0	113.6	I121 L181	I121-F179 HydrophobicContact CB-CE1 3.39Å; I121-F179 HydrophobicContact CB-CZ 3.48Å; I121-F179 VanDerWaalsContact CB-CZ 3.48Å; I121-F179 HydrophobicContact CD1-CZ 4.46Å; I121-F179 HydrophobicContact CG1-CE1 4.49Å; I121-F179 HydrophobicContact CG2-CE1 3.93Å; I121-F179 HydrophobicContact CG2-CZ 3.51Å; I121-F179 WeakPolarHBondContact O-CD1 3.27Å; I121-F179 WeakPolarHBondContact O-CE1 3.43Å; F179-L181 HydrophobicContact CE1-CD1 4.37Å; F179-L181 HydrophobicContact CE2-CD1 4.49Å; F179-L181 HydrophobicContact CZ-CD1 4.13Å
180	P	46.7	Very low	52.1	Low	40 Å²	40	65 Å²	65	26%	0.26	34%	0.337	S	S	.	.	P	Polyproline II helix	cis	-79.1	152.2	1.4	32.1	-34.7	0	0	0	112.9	C200	P180-C200 PolarHBondContact O-SG 2.75Å
181	L	51.2	Low	51.7	Low	16 Å²	16	65.8 Å²	65.8	8%	0.084	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-98.1	133.4	168.6	-73.3	154.9	0	0	0	109.8	I121 L171 L177 F179 C200	I121-L181 HydrophobicContact CD1-CD1 4.15Å; L171-L181 HydrophobicContact CD2-CD1 3.12Å; L171-L181 HydrophobicContact CD2-CD2 4.12Å; L171-L181 HydrophobicContact CD2-CG 4.18Å; L177-L181 HydrophobicContact CB-CD2 3.87Å; L177-L181 HydrophobicContact CD1-CD2 4.38Å; L177-L181 HydrophobicContact CD2-CD2 3.72Å; L177-L181 HydrophobicContact CG-CD2 4.18Å; F179-L181 HydrophobicContact CE1-CD1 4.37Å; F179-L181 HydrophobicContact CE2-CD1 4.49Å; F179-L181 HydrophobicContact CZ-CD1 4.13Å; L181-C200 VanDerWaalsContact C-SG 3.59Å
182	C	52.5	Low	51.5	Low	7 Å²	7	64.8 Å²	64.8	5%	0.047	34%	0.337	C	S	.	.			trans	-99.3	108.8	178.9	19.2	0	0	0	0	108.1	F64 C200	F64-C182 HydrophobicContact CD2-CB 4.21Å; F64-C182 WeakPolarHBondContact CD2-SG 3.48Å; F64-C182 HydrophobicContact CE1-CB 3.96Å; F64-C182 WeakPolarHBondContact CE1-SG 3.35Å; F64-C182 HydrophobicContact CE2-CB 3.35Å; F64-C182 WeakPolarHBondContact CE2-SG 3.45Å; F64-C182 HydrophobicContact CZ-CB 3.23Å; F64-C182 WeakPolarHBondContact CZ-SG 3.41Å; C182-C200 WeakPolarHBondContact CB-SG 3.47Å; C182-C200 PolarHBondContact N-SG 2.96Å; C182-C200 WeakPolarHBondContact SG-CA 3.38Å; C182-C200 WeakPolarHBondContact SG-CB 3.47Å; C182-C200 CovalentContact SG-SG 2.05Å; C182-C200 PolarHBondContact SG-SG 2.88Å
183	L	53.7	Low	51.8	Low	10 Å²	10	63.8 Å²	63.8	5%	0.052	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-86.5	117.5	171.4	-49.2	174	0	0	0	106.5	F138 F192 Y197	F138-L183 HydrophobicContact CE1-CD1 3.81Å; F138-L183 HydrophobicContact CZ-CD1 4.43Å; L183-F192 HydrophobicContact CB-CD1 3.49Å; L183-F192 VanDerWaalsContact CB-CD1 3.49Å; L183-F192 HydrophobicContact CB-CE1 3.19Å; L183-F192 HydrophobicContact CB-CE2 4.41Å; L183-F192 HydrophobicContact CB-CG 4.25Å; L183-F192 HydrophobicContact CB-CZ 3.73Å; L183-F192 HydrophobicContact CD1-CD2 4.48Å; L183-F192 HydrophobicContact CD1-CE1 3.95Å; L183-F192 HydrophobicContact CD1-CE2 3.81Å; L183-F192 HydrophobicContact CD1-CZ 3.52Å; L183-F192 HydrophobicContact CG-CE1 4.19Å; L183-F192 HydrophobicContact CG-CZ 4.26Å; L183-Y197 HydrophobicContact CB-CE1 4.43Å; L183-Y197 HydrophobicContact CD2-CD1 3.92Å; L183-Y197 HydrophobicContact CD2-CE1 3.41Å; L183-Y197 VanDerWaalsContact CD2-CE1 3.41Å
184	T	55.6	Low	51.7	Low	4 Å²	4	61.1 Å²	61.1	3%	0.025	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.7	174	85.3	0	0	0	0	109.1	L114 T196 V203	L114-T184 HydrophobicContact CD1-CG2 4.18Å; T184-T196 WeakPolarHBondContact OG1-CB 3.22Å; T184-T196 PolarHBondContact OG1-OG1 3.2Å; T184-V203 HydrophobicContact CG2-CG1 3.7Å
185	V	55.4	Low	51.6	Low	11 Å²	11	60.3 Å²	60.3	7%	0.067	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	123	169.8	179.3	0	0	0	0	106.6	F86 T88 F192	F86-V185 HydrophobicContact CE2-CB 3.96Å; F86-V185 HydrophobicContact CE2-CG1 4.38Å; F86-V185 HydrophobicContact CE2-CG2 3.71Å; F86-V185 HydrophobicContact CZ-CB 4.41Å; F86-V185 HydrophobicContact CZ-CG2 4.33Å; T88-V185 HydrophobicContact CG2-CG1 4.08Å; V185-F192 HydrophobicContact CG2-CD1 3.47Å; V185-F192 VanDerWaalsContact CG2-CD1 3.47Å; V185-F192 HydrophobicContact CG2-CE1 3.46Å; V185-F192 VanDerWaalsContact CG2-CE1 3.46Å; V185-F192 HydrophobicContact CG2-CG 4.5Å; V185-F192 HydrophobicContact CG2-CZ 4.48Å
186	K	56.8	Low	51.7	Low	112 Å²	112	52.7 Å²	52.7	49%	0.487	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-69.6	139.3	171.3	-179.6	178.8	178.3	-178.6	0	108.4	G188 T189 D193	K186-G188 PolarHBondContact O-N 3.39Å; K186-G188 VanDerWaalsContact O-N 3.16Å; K186-T189 HydrophobicContact CB-CG2 3.95Å; K186-T189 WeakPolarHBondContact CB-OG1 3.48Å; K186-T189 HydrophobicContact CD-CG2 3.99Å; K186-T189 HydrophobicContact CG-CG2 4.15Å; K186-T189 PolarHBondContact O-N 3.21Å; K186-T189 VanDerWaalsContact O-N 3.13Å; K186-T189 PolarHBondContact O-OG1 3.06Å; K186-D193 HydrophobicContact CB-CB 4.48Å
187	I	53.7	Low	51.9	Low	36 Å²	36	51.7 Å²	51.7	19%	0.185	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	124.6	176.4	-63	170.6	0	0	0	108.6	Y104 V107 Q108 T111 K113	Y104-I187 HydrophobicContact CE2-CG2 3.81Å; V107-I187 HydrophobicContact CG1-CD1 3.78Å; V107-I187 HydrophobicContact CG1-CG1 4.42Å; Q108-I187 HydrophobicContact CB-CG2 4.12Å; Q108-I187 HydrophobicContact CG-CG2 4.07Å; T111-I187 VanDerWaalsContact O-CD1 3.3Å; T111-I187 WeakPolarHBondContact O-CD1 3.46Å; K113-I187 VanDerWaalsContact O-CD1 3.23Å; K113-I187 WeakPolarHBondContact O-CD1 3.18Å
188	G	52.4	Low	52.2	Low	54 Å²	54	54.3 Å²	54.3	56%	0.557	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	3.7	178.3	0	0	0	0	0	115.1	Y104 K186	Y104-G188 VanDerWaalsContact OH-CA 3.23Å; Y104-G188 WeakPolarHBondContact OH-CA 3.3Å; Y104-G188 PolarHBondContact OH-N 2.85Å; K186-G188 PolarHBondContact O-N 3.39Å; K186-G188 VanDerWaalsContact O-N 3.16Å
189	T	52.4	Low	52.5	Low	52 Å²	52	49 Å²	49	32%	0.319	28%	0.275	S	S	.	.			trans	-102.3	141.6	170.1	65.2	0	0	0	0	110.5	K186 E191	K186-T189 HydrophobicContact CB-CG2 3.95Å; K186-T189 WeakPolarHBondContact CB-OG1 3.48Å; K186-T189 HydrophobicContact CD-CG2 3.99Å; K186-T189 HydrophobicContact CG-CG2 4.15Å; K186-T189 PolarHBondContact O-N 3.21Å; K186-T189 VanDerWaalsContact O-N 3.13Å; K186-T189 PolarHBondContact O-OG1 3.06Å; T189-E191 VanDerWaalsContact C-N 3.3Å; T189-E191 WeakPolarHBondContact CB-O 3.38Å; T189-E191 PolarHBondContact OG1-O 3.09Å
190	S	50.1	Low	52.9	Low	37 Å²	37	44.3 Å²	44.3	26%	0.259	26%	0.255	S	S	.	.	S	Bend	trans	-83.6	-11.5	171.3	51.2	0	0	0	0	112.3	T88	T88-S190 CarbonylContact C-O 3.58Å; T88-S190 WeakPolarHBondContact CB-O 3.1Å; T88-S190 PolarHBondContact OG1-O 2.88Å
191	E	51.4	Low	53.2	Low	115 Å²	115	47.6 Å²	47.6	54%	0.537	27%	0.27	S	S	.	.	S	Bend	trans	-113.4	154	-179.9	-63	174	171.8	0	0	109	T189	T189-E191 VanDerWaalsContact C-N 3.3Å; T189-E191 WeakPolarHBondContact CB-O 3.38Å; T189-E191 PolarHBondContact OG1-O 3.09Å
192	F	54.2	Low	53.3	Low	6 Å²	6	52.7 Å²	52.7	3%	0.026	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-67	145.3	164.8	-66.6	-68.8	0	0	0	109.9	L119 L161 L183 V185 E194 Y197	L119-F192 HydrophobicContact CD1-CZ 4.33Å; L161-F192 HydrophobicContact CB-CD2 3.91Å; L161-F192 HydrophobicContact CB-CE2 3.8Å; L161-F192 HydrophobicContact CD1-CE2 4.23Å; L161-F192 HydrophobicContact CD2-CE2 3.96Å; L161-F192 HydrophobicContact CG-CE2 4.18Å; L161-F192 WeakPolarHBondContact O-CD2 3.43Å; L183-F192 HydrophobicContact CB-CD1 3.49Å; L183-F192 VanDerWaalsContact CB-CD1 3.49Å; L183-F192 HydrophobicContact CB-CE1 3.19Å; L183-F192 HydrophobicContact CB-CE2 4.41Å; L183-F192 HydrophobicContact CB-CG 4.25Å; L183-F192 HydrophobicContact CB-CZ 3.73Å; L183-F192 HydrophobicContact CD1-CD2 4.48Å; L183-F192 HydrophobicContact CD1-CE1 3.95Å; L183-F192 HydrophobicContact CD1-CE2 3.81Å; L183-F192 HydrophobicContact CD1-CZ 3.52Å; L183-F192 HydrophobicContact CG-CE1 4.19Å; L183-F192 HydrophobicContact CG-CZ 4.26Å; V185-F192 HydrophobicContact CG2-CD1 3.47Å; V185-F192 VanDerWaalsContact CG2-CD1 3.47Å; V185-F192 HydrophobicContact CG2-CE1 3.46Å; V185-F192 VanDerWaalsContact CG2-CE1 3.46Å; V185-F192 HydrophobicContact CG2-CG 4.5Å; V185-F192 HydrophobicContact CG2-CZ 4.48Å; F192-E194 PolarHBondContact O-N 3.26Å; F192-Y197 HydrophobicContact CB-CE1 4.06Å; F192-Y197 HydrophobicContact CB-CE2 4.48Å; F192-Y197 WeakPolarHBondContact CB-OH 3.46Å; F192-Y197 HydrophobicContact CG-CE1 4.46Å; F192-Y197 WeakPolarHBondContact CG-OH 3.28Å
193	D	57.5	Low	53.5	Low	50 Å²	50	53 Å²	53	27%	0.267	30%	0.299	S	S	.	.			trans	-84.4	116.8	-179.9	-175.6	-11.4	0	0	0	110.7	K186 A195 T196	K186-D193 HydrophobicContact CB-CB 4.48Å; D193-A195 PolarHBondContact O-N 2.9Å; D193-A195 WeakPolarHBondContact OD1-CB 3.29Å; D193-A195 PolarHBondContact OD1-N 3.17Å; D193-T196 HydrophobicContact CB-CG2 3.85Å; D193-T196 PolarHBondContact O-N 2.8Å; D193-T196 PolarHBondContact O-OG1 3.4Å
194	E	54	Low	53.9	Low	82 Å²	82	56.4 Å²	56.4	38%	0.383	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-58.4	-33	178.2	-82	-173.1	-144.4	0	0	114.8	S164 T167 F192 T196 Y197	S164-E194 WeakPolarHBondContact CA-OE1 3.42Å; S164-E194 VanDerWaalsContact CB-CD 3.46Å; S164-E194 WeakPolarHBondContact CB-OE1 3.33Å; S164-E194 VanDerWaalsContact CB-OE2 3.22Å; S164-E194 WeakPolarHBondContact CB-OE2 3.37Å; S164-E194 PolarHBondContact N-OE1 3.02Å; S164-E194 PolarHBondContact OG-OE1 2.99Å; S164-E194 PolarHBondContact OG-OE2 2.84Å; T167-E194 PolarHBondContact OG1-OE2 3.12Å; F192-E194 PolarHBondContact O-N 3.26Å; E194-T196 PolarHBondContact O-N 3.17Å; E194-T196 VanDerWaalsContact O-N 3.16Å; E194-Y197 HydrophobicContact CB-CD2 4.14Å; E194-Y197 HydrophobicContact CB-CE2 4.18Å; E194-Y197 HydrophobicContact CG-CD2 3.93Å; E194-Y197 HydrophobicContact CG-CE2 3.61Å; E194-Y197 PolarHBondContact O-N 3.35Å
195	A	54.1	Low	54.6	Low	80 Å²	80	56.4 Å²	56.4	66%	0.661	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-66.6	-15.9	177.5	0	0	0	0	0	112.6	D193	D193-A195 PolarHBondContact O-N 2.9Å; D193-A195 WeakPolarHBondContact OD1-CB 3.29Å; D193-A195 PolarHBondContact OD1-N 3.17Å
196	T	52.1	Low	55.3	Low	32 Å²	32	57.4 Å²	57.4	20%	0.196	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-102	-3	-177.7	70.4	0	0	0	0	113.9	T184 D193 E194 Q198	T184-T196 WeakPolarHBondContact OG1-CB 3.22Å; T184-T196 PolarHBondContact OG1-OG1 3.2Å; D193-T196 HydrophobicContact CB-CG2 3.85Å; D193-T196 PolarHBondContact O-N 2.8Å; D193-T196 PolarHBondContact O-OG1 3.4Å; E194-T196 PolarHBondContact O-N 3.17Å; E194-T196 VanDerWaalsContact O-N 3.16Å; T196-Q198 PolarHBondContact O-N 3.11Å
197	Y	51.4	Low	56.3	Low	47 Å²	47	52.1 Å²	52.1	18%	0.184	31%	0.305	C	S	.	.			trans	-71	100.3	171.2	-65.5	-52.9	0	0	0	110.3	L163 T167 L183 F192 E194	L163-Y197 HydrophobicContact CD2-CD2 4.42Å; L163-Y197 HydrophobicContact CD2-CE1 4.06Å; L163-Y197 HydrophobicContact CD2-CE2 3.52Å; L163-Y197 WeakPolarHBondContact CD2-OH 3.23Å; T167-Y197 HydrophobicContact CG2-CD2 3.35Å; T167-Y197 HydrophobicContact CG2-CE2 3.66Å; T167-Y197 HydrophobicContact CG2-CG 3.97Å; L183-Y197 HydrophobicContact CB-CE1 4.43Å; L183-Y197 HydrophobicContact CD2-CD1 3.92Å; L183-Y197 HydrophobicContact CD2-CE1 3.41Å; L183-Y197 VanDerWaalsContact CD2-CE1 3.41Å; F192-Y197 HydrophobicContact CB-CE1 4.06Å; F192-Y197 HydrophobicContact CB-CE2 4.48Å; F192-Y197 WeakPolarHBondContact CB-OH 3.46Å; F192-Y197 HydrophobicContact CG-CE1 4.46Å; F192-Y197 WeakPolarHBondContact CG-OH 3.28Å; E194-Y197 HydrophobicContact CB-CD2 4.14Å; E194-Y197 HydrophobicContact CB-CE2 4.18Å; E194-Y197 HydrophobicContact CG-CD2 3.93Å; E194-Y197 HydrophobicContact CG-CE2 3.61Å; E194-Y197 PolarHBondContact O-N 3.35Å
198	Q	51.8	Low	57.6	Low	82 Å²	82	50.5 Å²	50.5	38%	0.383	30%	0.296	S	S	.	.			trans	-123.4	154.1	170.1	-62	-170.4	0.9	0	0	108.6	T196 C200 N202 V203	T196-Q198 PolarHBondContact O-N 3.11Å; Q198-C200 PolarHBondContact O-N 3.39Å; Q198-N202 VanDerWaalsContact OE1-CB 3.3Å; Q198-V203 HydrophobicContact CB-CG2 3.93Å
199	P	52.1	Low	59.1	Low	49 Å²	49	48 Å²	48	32%	0.318	27%	0.27	S	S	.	.			trans	-46.1	136.5	158.5	-17.3	25.5	0	0	0	108	L177 N201 N202	L177-P199 HydrophobicContact CD2-CB 3.96Å; L177-P199 HydrophobicContact CD2-CG 3.65Å; P199-N201 PolarHBondContact O-N 3.09Å; P199-N202 PolarHBondContact O-N 2.84Å
200	C	51	Low	60.7	Low	8 Å²	8	45.5 Å²	45.5	5%	0.054	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-53.2	-27.2	-171.5	-90.7	0	0	0	0	113.4	F64 P180 L181 C182 Q198 N202 V203	F64-C200 HydrophobicContact CB-CB 4.04Å; F64-C200 WeakPolarHBondContact CB-O 3.42Å; F64-C200 HydrophobicContact CD1-CB 3.28Å; F64-C200 WeakPolarHBondContact CD1-SG 3.01Å; F64-C200 HydrophobicContact CD2-CB 4.44Å; F64-C200 HydrophobicContact CE1-CB 3.85Å; F64-C200 WeakPolarHBondContact CE1-SG 3.38Å; F64-C200 HydrophobicContact CG-CB 3.65Å; F64-C200 WeakPolarHBondContact CG-O 3.47Å; P180-C200 PolarHBondContact O-SG 2.75Å; L181-C200 VanDerWaalsContact C-SG 3.59Å; C182-C200 WeakPolarHBondContact CB-SG 3.47Å; C182-C200 PolarHBondContact N-SG 2.96Å; C182-C200 WeakPolarHBondContact SG-CA 3.38Å; C182-C200 WeakPolarHBondContact SG-CB 3.47Å; C182-C200 CovalentContact SG-SG 2.05Å; C182-C200 PolarHBondContact SG-SG 2.88Å; Q198-C200 PolarHBondContact O-N 3.39Å; C200-N202 PolarHBondContact O-N 3.08Å; C200-V203 PolarHBondContact O-N 2.78Å
201	N	53.5	Low	62.4	Low	110 Å²	110	44.3 Å²	44.3	59%	0.588	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-41.3	-35.3	177.5	-59.3	-11.9	0	0	0	115.7	P199	P199-N201 PolarHBondContact O-N 3.09Å
202	N	54.3	Low	64	Low	123 Å²	123	39.2 Å²	39.2	66%	0.658	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-112.1	1.3	-175.6	-68.8	-11.1	0	0	0	114.9	Q198 P199 C200	Q198-N202 VanDerWaalsContact OE1-CB 3.3Å; P199-N202 PolarHBondContact O-N 2.84Å; C200-N202 PolarHBondContact O-N 3.08Å
203	V	56	Low	65.4	Low	12 Å²	12	47.2 Å²	47.2	7%	0.073	26%	0.26	C	S	.	.			trans	-84.5	123	-179.2	-178.8	0	0	0	0	109.6	F64 T184 Q198 C200	F64-V203 HydrophobicContact CD2-CB 4.14Å; F64-V203 HydrophobicContact CD2-CG1 4.45Å; F64-V203 WeakPolarHBondContact CD2-O 3.43Å; T184-V203 HydrophobicContact CG2-CG1 3.7Å; Q198-V203 HydrophobicContact CB-CG2 3.93Å; C200-V203 PolarHBondContact O-N 2.78Å
204	T	62.6	Low	66.6	Low	83 Å²	83	45.5 Å²	45.5	51%	0.509	25%	0.251	S	S	.	.			trans	-104.1	120.4	168.5	59.7	0	0	0	0	109.5
205	F	69.1	Low	68	Low	3 Å²	3	42 Å²	42	1%	0.013	24%	0.235	C	C	.	.			trans	-107.9	154.2	164.9	64.2	-83.2	0	0	0	108.6	L57 F64 K67 A71 L116 F208	L57-F205 HydrophobicContact CD1-CD2 4.16Å; L57-F205 HydrophobicContact CD1-CE2 3.31Å; L57-F205 HydrophobicContact CD1-CZ 3.61Å; L57-F205 HydrophobicContact CG-CE2 4.23Å; F64-F205 AromaticContact CD2-CD1 3.7Å; F64-F205 HydrophobicContact CD2-CD1 3.7Å; F64-F205 AromaticContact CD2-CE1 3.58Å; F64-F205 HydrophobicContact CD2-CE1 3.58Å; F64-F205 AromaticContact CE2-CD1 3.4Å; F64-F205 HydrophobicContact CE2-CD1 3.4Å; F64-F205 VanDerWaalsContact CE2-CD1 3.4Å; F64-F205 AromaticContact CE2-CE1 3.29Å; F64-F205 HydrophobicContact CE2-CE1 3.29Å; F64-F205 HydrophobicContact CE2-CZ 4.47Å; F64-F205 HydrophobicContact CG-CE1 4.48Å; F64-F205 HydrophobicContact CZ-CD1 4.44Å; F64-F205 HydrophobicContact CZ-CE1 4.01Å; K67-F205 HydrophobicContact CB-CE1 3.67Å; K67-F205 HydrophobicContact CB-CZ 3.59Å; K67-F205 HydrophobicContact CD-CE1 4.46Å; A71-F205 HydrophobicContact CB-CE2 4.3Å; A71-F205 HydrophobicContact CB-CZ 4.39Å; L116-F205 HydrophobicContact CB-CB 4.47Å; L116-F205 HydrophobicContact CB-CD2 3.7Å; L116-F205 HydrophobicContact CB-CE2 3.96Å; L116-F205 HydrophobicContact CB-CG 3.99Å; L116-F205 HydrophobicContact CB-CZ 4.49Å; L116-F205 HydrophobicContact CD1-CD1 4.44Å; L116-F205 HydrophobicContact CD1-CE1 4.41Å; L116-F205 HydrophobicContact CD2-CD2 4.34Å; L116-F205 HydrophobicContact CD2-CE1 4.26Å; L116-F205 HydrophobicContact CD2-CE2 3.73Å; L116-F205 HydrophobicContact CD2-CZ 3.69Å; L116-F205 HydrophobicContact CG-CE2 4.38Å; L116-F205 HydrophobicContact CG-CZ 4.49Å; F205-F208 HydrophobicContact CE2-CD1 4.29Å
206	S	70.9	Confident	69.1	Low	32 Å²	32	43.3 Å²	43.3	22%	0.224	23%	0.228	C	C	.	.			trans	-115.7	-10.2	176.2	-52.3	0	0	0	0	112.4	Y56 L57	Y56-S206 VanDerWaalsContact CA-O 3.29Å; Y56-S206 WeakPolarHBondContact CA-O 3.35Å; L57-S206 PolarHBondContact N-O 3.01Å
207	M	77.9	Confident	70.4	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	147.7	-172.1	-63.3	179.9	-58.5	0	0	111	W54 H55 Y56 V107 T111 K113 I115 L116	W54-M207 HydrophobicContact CE3-SD 4.15Å; W54-M207 HydrophobicContact CZ3-SD 3.8Å; H55-M207 WeakPolarHBondContact O-CA 3.46Å; Y56-M207 HydrophobicContact CD1-CG 3.61Å; Y56-M207 HydrophobicContact CD1-SD 4.23Å; Y56-M207 HydrophobicContact CE1-CG 3.58Å; Y56-M207 HydrophobicContact CE1-SD 3.55Å; Y56-M207 VanDerWaalsContact CE1-SD 3.55Å; V107-M207 HydrophobicContact CG1-CE 3.67Å; V107-M207 HydrophobicContact CG1-SD 4.16Å; T111-M207 WeakPolarHBondContact OG1-CE 3.35Å; K113-M207 HydrophobicContact CB-CE 3.65Å; K113-M207 VanDerWaalsContact O-CE 3.29Å; K113-M207 WeakPolarHBondContact O-CE 3.34Å; I115-M207 HydrophobicContact CG1-CE 3.98Å; L116-M207 PolarHBondContact N-O 3.49Å
208	F	80.7	Confident	71.9	Confident	1 Å²	1	42.5 Å²	42.5	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	160.3	172.4	59.9	-82.4	0	0	0	109.5	W54 H55 L57 A71 V74 L83 L116 F205 C210	W54-F208 WeakPolarHBondContact CA-O 3.48Å; H55-F208 HydrophobicContact CB-CD1 4.09Å; H55-F208 HydrophobicContact CB-CD2 4.07Å; H55-F208 HydrophobicContact CB-CE1 3.5Å; H55-F208 VanDerWaalsContact CB-CE1 3.5Å; H55-F208 HydrophobicContact CB-CE2 3.52Å; H55-F208 HydrophobicContact CB-CG 4.35Å; H55-F208 HydrophobicContact CB-CZ 3.22Å; H55-F208 AromaticContact CD2-CE2 3.97Å; H55-F208 AromaticContact CG-CE2 3.84Å; H55-F208 AromaticContact CG-CZ 3.86Å; H55-F208 PolarHBondContact N-O 3.02Å; H55-F208 PolarHBondContact O-N 3.29Å; H55-F208 VanDerWaalsContact O-N 3.15Å; L57-F208 HydrophobicContact CD1-CE1 4.41Å; L57-F208 HydrophobicContact CD2-CD1 4.46Å; L57-F208 HydrophobicContact CD2-CE1 3.59Å; L57-F208 HydrophobicContact CD2-CZ 4.27Å; L57-F208 HydrophobicContact CG-CD1 4.04Å; L57-F208 HydrophobicContact CG-CE1 3.62Å; A71-F208 HydrophobicContact CB-CB 4.45Å; A71-F208 HydrophobicContact CB-CD1 3.86Å; A71-F208 HydrophobicContact CB-CD2 3.87Å; A71-F208 HydrophobicContact CB-CE1 3.96Å; A71-F208 HydrophobicContact CB-CE2 3.92Å; A71-F208 HydrophobicContact CB-CG 3.81Å; A71-F208 HydrophobicContact CB-CZ 3.95Å; A71-F208 WeakPolarHBondContact O-CE2 3.29Å; V74-F208 HydrophobicContact CB-CE2 4.08Å; V74-F208 HydrophobicContact CB-CZ 3.78Å; V74-F208 HydrophobicContact CG1-CE2 3.97Å; V74-F208 HydrophobicContact CG1-CZ 3.67Å; V74-F208 HydrophobicContact CG2-CZ 4.29Å; L83-F208 HydrophobicContact CD2-CB 3.85Å; L83-F208 HydrophobicContact CD2-CD2 3.65Å; L83-F208 HydrophobicContact CD2-CG 4.08Å; L116-F208 HydrophobicContact CB-CB 3.91Å; L116-F208 HydrophobicContact CD2-CB 4.23Å; F205-F208 HydrophobicContact CE2-CD1 4.29Å; F208-C210 VanDerWaalsContact CE2-SG 3.6Å
209	V	84	Confident	73.2	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134.4	177.2	179.4	0	0	0	0	108.6	L52 W54 L83 H84 L99 M103 I115	L52-V209 HydrophobicContact CB-CG1 4.31Å; W54-V209 HydrophobicContact CB-CG2 4.39Å; L83-V209 CarbonylContact C-O 3.5Å; H84-V209 HydrophobicContact CB-CB 3.82Å; H84-V209 HydrophobicContact CB-CG1 3.55Å; H84-V209 WeakPolarHBondContact CB-O 3.48Å; H84-V209 PolarHBondContact N-O 3.44Å; L99-V209 HydrophobicContact CD1-CG2 4.33Å; L99-V209 HydrophobicContact CD2-CB 4.37Å; L99-V209 HydrophobicContact CD2-CG1 4.41Å; L99-V209 HydrophobicContact CD2-CG2 3.8Å; M103-V209 HydrophobicContact CE-CB 3.96Å; M103-V209 HydrophobicContact CE-CG1 3.49Å; M103-V209 VanDerWaalsContact CE-CG1 3.49Å; M103-V209 HydrophobicContact CE-CG2 3.28Å; M103-V209 HydrophobicContact SD-CG1 4.04Å; M103-V209 HydrophobicContact SD-CG2 4.21Å; I115-V209 HydrophobicContact CG2-CG2 4.33Å
210	C	86.3	Confident	74.3	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.7	169	-54.6	0	0	0	0	109.4	L52 S53 H55 C75 T79 I82 F208	L52-C210 WeakPolarHBondContact CA-O 3.49Å; S53-C210 PolarHBondContact N-O 3.39Å; S53-C210 PolarHBondContact O-N 3.24Å; H55-C210 PolarHBondContact CD2-SG 3.39Å; C75-C210 WeakPolarHBondContact CA-SG 3.47Å; C75-C210 HydrophobicContact CB-CB 3.66Å; C75-C210 WeakPolarHBondContact CB-SG 3.41Å; C75-C210 VanDerWaalsContact SG-CA 3.5Å; C75-C210 WeakPolarHBondContact SG-CB 3.29Å; C75-C210 CovalentContact SG-SG 2.03Å; C75-C210 PolarHBondContact SG-SG 3.39Å; T79-C210 HydrophobicContact CG2-CB 4.44Å; I82-C210 CarbonylContact O-C 3.42Å; I82-C210 VanDerWaalsContact O-CA 3.26Å; I82-C210 WeakPolarHBondContact O-CA 3.42Å; F208-C210 VanDerWaalsContact CE2-SG 3.6Å
211	A	86.3	Confident	75.4	Confident	11 Å²	11	48 Å²	48	9%	0.091	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.2	169.5	0	0	0	0	0	109.4	C51 L52 G81 I82 H84	C51-A211 WeakPolarHBondContact O-CA 3.4Å; L52-A211 HydrophobicContact CD2-CB 3.76Å; G81-A211 CarbonylContact C-O 3.52Å; G81-A211 WeakPolarHBondContact CA-O 3.38Å; I82-A211 PolarHBondContact N-O 3.4Å; I82-A211 PolarHBondContact O-N 3.27Å; H84-A211 HydrophobicContact CB-CB 3.98Å
212	A	85.2	Confident	76.3	Confident	9 Å²	9	51.7 Å²	51.7	7%	0.074	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	159.7	174.3	0	0	0	0	0	110.2	P33 C51 T79	P33-A212 HydrophobicContact CG-CB 3.92Å; C51-A212 WeakPolarHBondContact CB-O 3.23Å; C51-A212 PolarHBondContact N-O 3.41Å; C51-A212 PolarHBondContact O-N 2.83Å; T79-A212 VanDerWaalsContact O-CB 3.29Å; T79-A212 WeakPolarHBondContact O-CB 3.45Å
213	K	82.6	Confident	77	Confident	174 Å²	174	52.8 Å²	52.8	76%	0.757	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-79.4	145.3	172	-69.3	-174.9	178.4	-178.5	0	110.1	P33	P33-K213 WeakPolarHBondContact CD-O 3.42Å; P33-K213 WeakPolarHBondContact CG-O 3.37Å
214	P	83.1	Confident	78	Confident	13 Å²	13	59.4 Å²	59.4	8%	0.084	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-59	141.6	167.4	-20.8	30.7	0	0	0	111.5	N30 N49	N30-P214 HydrophobicContact CB-CB 3.72Å; N30-P214 HydrophobicContact CB-CG 4.4Å; N49-P214 WeakPolarHBondContact O-CD 3.49Å; N49-P214 WeakPolarHBondContact OD1-CG 3.46Å
215	M	82.2	Confident	78.7	Confident	10 Å²	10	56.8 Å²	56.8	5%	0.049	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-84.4	119.7	176.6	-57.4	175.4	-66.5	0	0	110	V31 P33 I36 C218 Y235	V31-M215 HydrophobicContact CB-CE 3.84Å; V31-M215 HydrophobicContact CG1-CE 3.42Å; V31-M215 VanDerWaalsContact CG1-CE 3.42Å; V31-M215 PolarHBondContact N-O 2.82Å; V31-M215 WeakPolarHBondContact O-CE 3.44Å; V31-M215 PolarHBondContact O-N 3.15Å; P33-M215 HydrophobicContact CB-SD 4.48Å; P33-M215 HydrophobicContact CG-CG 3.94Å; P33-M215 HydrophobicContact CG-SD 4.25Å; I36-M215 HydrophobicContact CD1-CE 4.05Å; I36-M215 HydrophobicContact CD1-SD 4.4Å; M215-C218 HydrophobicContact CB-CB 3.56Å; M215-C218 HydrophobicContact CE-CB 3.8Å; M215-C218 VanDerWaalsContact CE-SG 3.54Å; M215-C218 HydrophobicContact CG-CB 4.34Å; M215-C218 HydrophobicContact SD-CB 3.9Å; M215-Y235 WeakPolarHBondContact CG-O 3.34Å; M215-Y235 HydrophobicContact SD-CD1 3.7Å; M215-Y235 HydrophobicContact SD-CG 4.17Å
216	Q	76.9	Confident	79.4	Confident	107 Å²	107	59.6 Å²	59.6	50%	0.5	29%	0.292	S	S	.	.	S	Bend	trans	-85.7	-24.9	-179.6	-64.9	-178.5	-9.5	0	0	113.9	T29 K228	T29-Q216 VanDerWaalsContact O-CA 3.27Å; T29-Q216 WeakPolarHBondContact O-CA 3.2Å; Q216-K228 PolarHBondContact O-NZ 3.3Å
217	H	81.3	Confident	79.9	Confident	57 Å²	57	59.9 Å²	59.9	26%	0.264	29%	0.294	S	S	.	.	S	Bend	trans	-110.1	11.5	-172.9	-51.9	-71	0	0	0	112.6	C227 K228 H231 C236	H217-C227 CarbonylContact O-C 3.57Å; H217-C227 WeakPolarHBondContact O-CA 3.32Å; H217-K228 HydrophobicContact CB-CB 4.32Å; H217-K228 WeakPolarHBondContact O-CG 3.12Å; H217-K228 PolarHBondContact O-N 2.97Å; H217-H231 HydrophobicContact CB-CB 4.04Å; H217-H231 AromaticContact CD2-CE1 3.35Å; H217-H231 PolarHBondContact CD2-CE1 2.93Å; H217-H231 AromaticContact CD2-ND1 3.55Å; H217-H231 AromaticContact CD2-NE2 3.73Å; H217-H231 AromaticContact CE1-CE1 3.49Å; H217-H231 PolarHBondContact CE1-CE1 3.5Å; H217-H231 VanDerWaalsContact CE1-CE1 3.49Å; H217-H231 AromaticContact CE1-NE2 3.31Å; H217-H231 PolarHBondContact CE1-NE2 2.74Å; H217-H231 VanDerWaalsContact CE1-NE2 3.31Å; H217-H231 AromaticContact CG-CD2 3.52Å; H217-H231 AromaticContact CG-CE1 3.51Å; H217-H231 AromaticContact CG-CG 3.67Å; H217-H231 AromaticContact CG-ND1 3.66Å; H217-H231 AromaticContact CG-NE2 3.41Å; H217-H231 AromaticContact ND1-CD2 3.55Å; H217-H231 AromaticContact ND1-CE1 3.6Å; H217-H231 AromaticContact ND1-NE2 3.14Å; H217-H231 PolarHBondContact ND1-NE2 3Å; H217-H231 VanDerWaalsContact ND1-NE2 3.14Å; H217-H231 AromaticContact NE2-CE1 3.37Å; H217-H231 PolarHBondContact NE2-CE1 2.76Å; H217-H231 AromaticContact NE2-NE2 3.69Å; H217-C236 HydrophobicContact CB-CB 3.94Å
218	C	81.1	Confident	80.1	Confident	4 Å²	4	63.6 Å²	63.6	3%	0.027	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	135.7	178	-174.5	0	0	0	0	111.3	V31 M215 C225	V31-C218 HydrophobicContact CB-CB 4.48Å; M215-C218 HydrophobicContact CB-CB 3.56Å; M215-C218 HydrophobicContact CE-CB 3.8Å; M215-C218 VanDerWaalsContact CE-SG 3.54Å; M215-C218 HydrophobicContact CG-CB 4.34Å; M215-C218 HydrophobicContact SD-CB 3.9Å; C218-C225 HydrophobicContact CB-CB 4.45Å; C218-C225 WeakPolarHBondContact CB-SG 2.96Å; C218-C225 WeakPolarHBondContact SG-CA 3.05Å; C218-C225 WeakPolarHBondContact SG-CB 3.22Å; C218-C225 CovalentContact SG-SG 2.02Å; C218-C225 PolarHBondContact SG-SG 3.4Å
219	I	80.6	Confident	79.9	Confident	77 Å²	77	68.5 Å²	68.5	40%	0.395	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.8	164	-56.8	174.1	0	0	0	106.8	Q221 T226 K228	I219-Q221 HydrophobicContact CG2-CG 4.2Å; I219-Q221 PolarHBondContact O-N 3.24Å; I219-T226 PolarHBondContact N-O 2.79Å; I219-T226 PolarHBondContact O-N 3.24Å; I219-K228 HydrophobicContact CD1-CG 4.22Å; I219-K228 HydrophobicContact CG1-CG 4.26Å
220	I	73.7	Confident	79.7	Confident	67 Å²	67	69 Å²	69	34%	0.344	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	122.3	175	-61	168.7	0	0	0	109.1	V31 K35 K224	V31-I220 HydrophobicContact CB-CD1 4.35Å; V31-I220 HydrophobicContact CG1-CD1 3.26Å; V31-I220 HydrophobicContact CG1-CG1 3.59Å; V31-I220 HydrophobicContact CG2-CD1 4.13Å; V31-I220 HydrophobicContact CG2-CG1 4.23Å; K35-I220 HydrophobicContact CB-CD1 3.87Å; K35-I220 HydrophobicContact CD-CD1 3.81Å; I220-K224 WeakPolarHBondContact CA-O 3.48Å
221	Q	75.2	Confident	79.5	Confident	110 Å²	110	71.1 Å²	71.1	51%	0.514	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	122.1	169.2	-62.2	-174.2	1.7	0	0	108.8	I219 E223 K224	I219-Q221 HydrophobicContact CG2-CG 4.2Å; I219-Q221 PolarHBondContact O-N 3.24Å; Q221-E223 PolarHBondContact O-N 3.42Å; Q221-K224 PolarHBondContact N-O 3.19Å; Q221-K224 WeakPolarHBondContact O-CA 3.35Å; Q221-K224 WeakPolarHBondContact O-CB 3.43Å; Q221-K224 PolarHBondContact O-N 2.75Å
222	Q	71.4	Confident	79.4	Confident	188 Å²	188	73.9 Å²	73.9	88%	0.879	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	52.9	175.3	-60	179.7	-13.7	0	0	113.5	K224	Q222-K224 PolarHBondContact O-N 3.08Å; Q222-K224 VanDerWaalsContact O-N 3.09Å
223	E	70.7	Confident	79	Confident	146 Å²	146	74.8 Å²	74.8	68%	0.682	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	15.9	-178.6	-51.2	-178.2	157.4	0	0	114.8	I36 Q221	I36-E223 WeakPolarHBondContact CG2-O 3.44Å; Q221-E223 PolarHBondContact O-N 3.42Å
224	K	76.3	Confident	78.7	Confident	152 Å²	152	72.7 Å²	72.7	66%	0.661	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	148.6	174	-64.4	-178.4	-178.3	179.7	0	110.6	I220 Q221 Q222	I220-K224 WeakPolarHBondContact CA-O 3.48Å; Q221-K224 PolarHBondContact N-O 3.19Å; Q221-K224 WeakPolarHBondContact O-CA 3.35Å; Q221-K224 WeakPolarHBondContact O-CB 3.43Å; Q221-K224 PolarHBondContact O-N 2.75Å; Q222-K224 PolarHBondContact O-N 3.08Å; Q222-K224 VanDerWaalsContact O-N 3.09Å
225	C	78.1	Confident	78.4	Confident	28 Å²	28	73.2 Å²	73.2	19%	0.189	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	119.7	171	-176.6	0	0	0	0	109.9	I36 C218 C236	I36-C225 HydrophobicContact CD1-CB 3.49Å; I36-C225 VanDerWaalsContact CD1-CB 3.49Å; I36-C225 HydrophobicContact CG1-CB 4.21Å; C218-C225 HydrophobicContact CB-CB 4.45Å; C218-C225 WeakPolarHBondContact CB-SG 2.96Å; C218-C225 WeakPolarHBondContact SG-CA 3.05Å; C218-C225 WeakPolarHBondContact SG-CB 3.22Å; C218-C225 CovalentContact SG-SG 2.02Å; C218-C225 PolarHBondContact SG-SG 3.4Å; C225-C236 PolarHBondContact SG-SG 3.17Å
226	T	83	Confident	78.3	Confident	61 Å²	61	72.8 Å²	72.8	37%	0.374	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.1	169.3	-52.7	0	0	0	0	109.1	I219	I219-T226 PolarHBondContact N-O 2.79Å; I219-T226 PolarHBondContact O-N 3.24Å
227	C	81.6	Confident	78.2	Confident	39 Å²	39	71.9 Å²	71.9	26%	0.264	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	138.8	-179.8	-57.7	0	0	0	0	112.2	H217 H231 G233 C236	H217-C227 CarbonylContact O-C 3.57Å; H217-C227 WeakPolarHBondContact O-CA 3.32Å; C227-H231 HydrophobicContact CB-CB 4.24Å; C227-H231 VanDerWaalsContact CB-O 3.23Å; C227-H231 WeakPolarHBondContact CB-O 3.46Å; C227-G233 PolarHBondContact SG-O 3.24Å; C227-C236 WeakPolarHBondContact CA-SG 3.14Å; C227-C236 HydrophobicContact CB-CB 3.71Å; C227-C236 WeakPolarHBondContact CB-SG 3.34Å; C227-C236 WeakPolarHBondContact SG-CA 3.4Å; C227-C236 WeakPolarHBondContact SG-CB 3Å; C227-C236 CovalentContact SG-SG 2.04Å; C227-C236 PolarHBondContact SG-SG 2.69Å
228	K	81.8	Confident	78	Confident	79 Å²	79	73.7 Å²	73.7	34%	0.343	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-59.3	150.3	164.4	-68.2	-180	-171.3	162.5	0	108.7	Q216 H217 I219 H231	Q216-K228 PolarHBondContact O-NZ 3.3Å; H217-K228 HydrophobicContact CB-CB 4.32Å; H217-K228 WeakPolarHBondContact O-CG 3.12Å; H217-K228 PolarHBondContact O-N 2.97Å; I219-K228 HydrophobicContact CD1-CG 4.22Å; I219-K228 HydrophobicContact CG1-CG 4.26Å; K228-H231 PolarHBondContact O-N 2.75Å; K228-H231 VanDerWaalsContact O-N 3.12Å
229	H	77.3	Confident	77.8	Confident	105 Å²	105	77.2 Å²	77.2	49%	0.486	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	142.4	176.5	-172.1	53.6	0	0	0	111.3	H231 Y242 E249	H229-H231 VanDerWaalsContact C-N 3.33Å; H229-Y242 AromaticContact CE1-CE2 3.86Å; H229-E249 IonicContact CE1-OE2 3.85Å; H229-E249 PolarHBondContact CE1-OE2 3.31Å; H229-E249 VanDerWaalsContact CE1-OE2 3.24Å; H229-E249 IonicContact ND1-OE2 3.24Å; H229-E249 IonicContact NE2-OE2 2.76Å
230	G	79.4	Confident	77.4	Confident	12 Å²	12	75.8 Å²	75.8	12%	0.124	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	-0.9	-173.2	0	0	0	0	0	114.9	S239 V240	G230-S239 CarbonylContact O-C 3.51Å; G230-S239 WeakPolarHBondContact O-CA 3.48Å; G230-V240 PolarHBondContact O-N 3Å
231	H	81.7	Confident	76.8	Confident	45 Å²	45	80.6 Å²	80.6	21%	0.208	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148	-179.7	-61.4	-88.4	0	0	0	113.1	H217 C227 K228 H229 C236 L238	H217-H231 HydrophobicContact CB-CB 4.04Å; H217-H231 AromaticContact CD2-CE1 3.35Å; H217-H231 PolarHBondContact CD2-CE1 2.93Å; H217-H231 AromaticContact CD2-ND1 3.55Å; H217-H231 AromaticContact CD2-NE2 3.73Å; H217-H231 AromaticContact CE1-CE1 3.49Å; H217-H231 PolarHBondContact CE1-CE1 3.5Å; H217-H231 VanDerWaalsContact CE1-CE1 3.49Å; H217-H231 AromaticContact CE1-NE2 3.31Å; H217-H231 PolarHBondContact CE1-NE2 2.74Å; H217-H231 VanDerWaalsContact CE1-NE2 3.31Å; H217-H231 AromaticContact CG-CD2 3.52Å; H217-H231 AromaticContact CG-CE1 3.51Å; H217-H231 AromaticContact CG-CG 3.67Å; H217-H231 AromaticContact CG-ND1 3.66Å; H217-H231 AromaticContact CG-NE2 3.41Å; H217-H231 AromaticContact ND1-CD2 3.55Å; H217-H231 AromaticContact ND1-CE1 3.6Å; H217-H231 AromaticContact ND1-NE2 3.14Å; H217-H231 PolarHBondContact ND1-NE2 3Å; H217-H231 VanDerWaalsContact ND1-NE2 3.14Å; H217-H231 AromaticContact NE2-CE1 3.37Å; H217-H231 PolarHBondContact NE2-CE1 2.76Å; H217-H231 AromaticContact NE2-NE2 3.69Å; C227-H231 HydrophobicContact CB-CB 4.24Å; C227-H231 VanDerWaalsContact CB-O 3.23Å; C227-H231 WeakPolarHBondContact CB-O 3.46Å; K228-H231 PolarHBondContact O-N 2.75Å; K228-H231 VanDerWaalsContact O-N 3.12Å; H229-H231 VanDerWaalsContact C-N 3.33Å; H231-C236 HydrophobicContact CB-CB 4.24Å; H231-L238 CarbonylContact C-O 3.55Å; H231-L238 WeakPolarHBondContact CA-O 3.44Å
232	T	83	Confident	75.8	Confident	69 Å²	69	81.1 Å²	81.1	42%	0.423	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	177.1	179.1	-165.8	0	0	0	0	112.1	C236 Q237 L238 V240	T232-C236 CarbonylContact O-C 3.58Å; T232-C236 WeakPolarHBondContact O-CA 3.1Å; T232-Q237 PolarHBondContact O-N 3.48Å; T232-L238 HydrophobicContact CG2-CB 3.73Å; T232-L238 HydrophobicContact CG2-CD1 4.21Å; T232-L238 PolarHBondContact N-O 3.02Å; T232-L238 WeakPolarHBondContact O-CB 3.11Å; T232-L238 PolarHBondContact O-N 3.26Å; T232-L238 VanDerWaalsContact O-N 3.11Å; T232-V240 HydrophobicContact CG2-CG2 3.37Å
233	G	78	Confident	74.5	Confident	27 Å²	27	81.1 Å²	81.1	28%	0.278	41%	0.414	S	S	.	.	S	Bend	trans	91.9	165.2	-174.7	0	0	0	0	0	113	C227 Y235 C236	C227-G233 PolarHBondContact SG-O 3.24Å; G233-Y235 PolarHBondContact O-N 2.81Å; G233-C236 PolarHBondContact O-N 3.01Å; G233-C236 VanDerWaalsContact O-N 3.09Å
234	D	76	Confident	73.2	Confident	131 Å²	131	80.2 Å²	80.2	70%	0.701	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-24.8	-174.6	-62.4	-24.2	0	0	0	114.1
235	Y	76.3	Confident	71.8	Confident	23 Å²	23	77.5 Å²	77.5	9%	0.09	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	17	-178.2	-53.4	-81.1	0	0	0	112.8	P33 I36 N77 E78 T79 N80 M215 G233 Q237	P33-Y235 HydrophobicContact CB-CD1 3.58Å; P33-Y235 HydrophobicContact CB-CE1 3.59Å; P33-Y235 HydrophobicContact CG-CD1 4.12Å; I36-Y235 HydrophobicContact CD1-CD1 4.39Å; I36-Y235 HydrophobicContact CD1-CE1 4.42Å; N77-Y235 PolarHBondContact O-OH 2.93Å; E78-Y235 PolarHBondContact O-OH 2.77Å; T79-Y235 PolarHBondContact N-OH 3.15Å; N80-Y235 HydrophobicContact CB-CD2 3.29Å; N80-Y235 HydrophobicContact CB-CE2 3.4Å; N80-Y235 VanDerWaalsContact CB-CE2 3.4Å; N80-Y235 HydrophobicContact CB-CG 4Å; M215-Y235 WeakPolarHBondContact CG-O 3.34Å; M215-Y235 HydrophobicContact SD-CD1 3.7Å; M215-Y235 HydrophobicContact SD-CG 4.17Å; G233-Y235 PolarHBondContact O-N 2.81Å; Y235-Q237 VanDerWaalsContact CA-OE1 3.31Å; Y235-Q237 PolarHBondContact O-N 3.19Å
236	C	80.5	Confident	70.3	Confident	2 Å²	2	82.9 Å²	82.9	1%	0.014	43%	0.434	C	S	.	.	S	Bend	trans	56.5	32.1	179.1	-46.7	0	0	0	0	114.3	H217 C225 C227 H231 T232 G233	H217-C236 HydrophobicContact CB-CB 3.94Å; C225-C236 PolarHBondContact SG-SG 3.17Å; C227-C236 WeakPolarHBondContact CA-SG 3.14Å; C227-C236 HydrophobicContact CB-CB 3.71Å; C227-C236 WeakPolarHBondContact CB-SG 3.34Å; C227-C236 WeakPolarHBondContact SG-CA 3.4Å; C227-C236 WeakPolarHBondContact SG-CB 3Å; C227-C236 CovalentContact SG-SG 2.04Å; C227-C236 PolarHBondContact SG-SG 2.69Å; H231-C236 HydrophobicContact CB-CB 4.24Å; T232-C236 CarbonylContact O-C 3.58Å; T232-C236 WeakPolarHBondContact O-CA 3.1Å; G233-C236 PolarHBondContact O-N 3.01Å; G233-C236 VanDerWaalsContact O-N 3.09Å
237	Q	74.1	Confident	68.7	Low	88 Å²	88	87.2 Å²	87.2	41%	0.411	45%	0.454	S	S	.	.			trans	-85.8	-20.2	-176.6	71.6	-81.2	17.5	0	0	113.5	T232 Y235	T232-Q237 PolarHBondContact O-N 3.48Å; Y235-Q237 VanDerWaalsContact CA-OE1 3.31Å; Y235-Q237 PolarHBondContact O-N 3.19Å
238	L	77.3	Confident	67.2	Low	95 Å²	95	91.9 Å²	91.9	50%	0.497	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.5	-178.4	-59.4	175.9	0	0	0	108.9	H231 T232	H231-L238 CarbonylContact C-O 3.55Å; H231-L238 WeakPolarHBondContact CA-O 3.44Å; T232-L238 HydrophobicContact CG2-CB 3.73Å; T232-L238 HydrophobicContact CG2-CD1 4.21Å; T232-L238 PolarHBondContact N-O 3.02Å; T232-L238 WeakPolarHBondContact O-CB 3.11Å; T232-L238 PolarHBondContact O-N 3.26Å; T232-L238 VanDerWaalsContact O-N 3.11Å
239	S	77.3	Confident	65.7	Low	77 Å²	77	94.9 Å²	94.9	54%	0.538	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	126	167.2	55.5	0	0	0	0	109.3	G230	G230-S239 CarbonylContact O-C 3.51Å; G230-S239 WeakPolarHBondContact O-CA 3.48Å
240	V	73.5	Confident	64.5	Low	47 Å²	47	91.6 Å²	91.6	29%	0.285	48%	0.478	S	S	.	.			trans	-92.3	111.3	167.1	-173.2	0	0	0	0	106.5	G230 T232 Y242	G230-V240 PolarHBondContact O-N 3Å; T232-V240 HydrophobicContact CG2-CG2 3.37Å; V240-Y242 HydrophobicContact CB-CD2 4.42Å; V240-Y242 HydrophobicContact CB-CE2 4Å; V240-Y242 HydrophobicContact CG1-CD1 4.02Å; V240-Y242 HydrophobicContact CG1-CD2 4.22Å; V240-Y242 HydrophobicContact CG1-CE1 3.8Å; V240-Y242 HydrophobicContact CG1-CE2 4.01Å; V240-Y242 HydrophobicContact CG1-CG 4.23Å; V240-Y242 PolarHBondContact O-N 3Å
241	H	59.5	Low	63.5	Low	169 Å²	169	92.6 Å²	92.6	78%	0.782	49%	0.485	S	S	*	.			trans	-75.9	99.9	161.3	-71.1	-19	0	0	0	106.7	E243	H241-E243 PolarHBondContact O-N 3.02Å; H241-E243 VanDerWaalsContact O-N 3.17Å
242	Y	54.5	Low	62.5	Low	121 Å²	121	94.1 Å²	94.1	48%	0.475	50%	0.499	S	S	.	.			trans	-67.5	110.2	161.9	-61.8	-78.1	0	0	0	106.2	H229 V240 V244	H229-Y242 AromaticContact CE1-CE2 3.86Å; V240-Y242 HydrophobicContact CB-CD2 4.42Å; V240-Y242 HydrophobicContact CB-CE2 4Å; V240-Y242 HydrophobicContact CG1-CD1 4.02Å; V240-Y242 HydrophobicContact CG1-CD2 4.22Å; V240-Y242 HydrophobicContact CG1-CE1 3.8Å; V240-Y242 HydrophobicContact CG1-CE2 4.01Å; V240-Y242 HydrophobicContact CG1-CG 4.23Å; V240-Y242 PolarHBondContact O-N 3Å; Y242-V244 VanDerWaalsContact C-N 3.27Å; Y242-V244 PolarHBondContact O-N 2.78Å
243	E	44.8	Very low	61.8	Low	187 Å²	187	96.5 Å²	96.5	87%	0.874	51%	0.509	S	S	*	.	S	Bend	trans	-60	100	159.9	-77.4	-176.8	160.3	0	0	106.6	H241	H241-E243 PolarHBondContact O-N 3.02Å; H241-E243 VanDerWaalsContact O-N 3.17Å
244	V	42.6	Very low	61.3	Low	128 Å²	128	103.9 Å²	103.9	78%	0.776	53%	0.528	S	S	*	.	S	Bend	trans	54.1	90	161.5	-166.4	0	0	0	0	115.5	Y242	Y242-V244 VanDerWaalsContact C-N 3.27Å; Y242-V244 PolarHBondContact O-N 2.78Å
245	D	47.3	Very low	61.3	Low	94 Å²	94	102.1 Å²	102.1	50%	0.503	52%	0.518	S	S	.	.			trans	-170	32	134.6	-100.5	-25.6	0	0	0	113.2	L247 Q248	D245-L247 PolarHBondContact O-N 3.16Å; D245-Q248 HydrophobicContact CB-CB 4.46Å; D245-Q248 PolarHBondContact O-N 3.34Å
246	E	46.9	Very low	61.2	Low	141 Å²	141	103.3 Å²	103.3	66%	0.659	53%	0.532	S	S	*	.	H	α-helix	trans	-58.2	-16.3	173.7	-72.9	-166	162.1	0	0	113.2	Q248	E246-Q248 VanDerWaalsContact C-N 3.28Å; E246-Q248 PolarHBondContact O-N 3.13Å
247	L	48.6	Very low	61	Low	153 Å²	153	107.8 Å²	107.8	80%	0.801	56%	0.555	S	S	*	*	H	α-helix	trans	-72.5	-16.3	172	-123.6	89.2	0	0	0	113.2	D245 A251	D245-L247 PolarHBondContact O-N 3.16Å; L247-A251 WeakPolarHBondContact O-CB 3.04Å
248	Q	50.3	Low	61.2	Low	136 Å²	136	107.7 Å²	107.7	64%	0.636	56%	0.56	S	S	*	*	H	α-helix	trans	-99.3	-31.9	-170.5	-117.2	-179.9	8.4	0	0	115.2	D245 E246 P252	D245-Q248 HydrophobicContact CB-CB 4.46Å; D245-Q248 PolarHBondContact O-N 3.34Å; E246-Q248 VanDerWaalsContact C-N 3.28Å; E246-Q248 PolarHBondContact O-N 3.13Å; Q248-P252 WeakPolarHBondContact O-CD 3.5Å; Q248-P252 WeakPolarHBondContact O-CG 3.26Å
249	E	50.5	Low	61.2	Low	142 Å²	142	108 Å²	108	66%	0.664	56%	0.562	S	S	*	*	H	α-helix	trans	-85.1	-38	178.9	-77.7	-168.1	157.4	0	0	113	H229 P252	H229-E249 IonicContact CE1-OE2 3.85Å; H229-E249 PolarHBondContact CE1-OE2 3.31Å; H229-E249 VanDerWaalsContact CE1-OE2 3.24Å; H229-E249 IonicContact ND1-OE2 3.24Å; H229-E249 IonicContact NE2-OE2 2.76Å; E249-P252 WeakPolarHBondContact O-CD 3.48Å; E249-P252 WeakPolarHBondContact O-CG 3.14Å
250	A	51.6	Low	61.3	Low	37 Å²	37	108.6 Å²	108.6	31%	0.306	56%	0.562	S	S	.	*	H	α-helix	trans	-82.1	-25.1	178.1	0	0	0	0	0	113	L253 R254	A250-L253 PolarHBondContact O-N 2.94Å; A250-R254 VanDerWaalsContact O-CB 3.28Å; A250-R254 WeakPolarHBondContact O-CB 3.34Å; A250-R254 VanDerWaalsContact O-CG 3.26Å; A250-R254 WeakPolarHBondContact O-CG 3.44Å; A250-R254 PolarHBondContact O-N 2.81Å
251	A	59.1	Low	61.4	Low	32 Å²	32	109.6 Å²	109.6	26%	0.264	57%	0.568	S	S	.	*	H	α-helix	trans	-59.5	-49.8	177.5	0	0	0	0	0	113.8	L247 L253 R254 I255	L247-A251 WeakPolarHBondContact O-CB 3.04Å; A251-L253 VanDerWaalsContact C-N 3.29Å; A251-L253 PolarHBondContact O-N 2.7Å; A251-R254 PolarHBondContact O-N 3.34Å; A251-I255 HydrophobicContact CB-CD1 4.08Å; A251-I255 WeakPolarHBondContact O-CA 3.37Å; A251-I255 WeakPolarHBondContact O-CB 2.96Å; A251-I255 WeakPolarHBondContact O-CD1 3.14Å; A251-I255 WeakPolarHBondContact O-CG1 3.31Å; A251-I255 PolarHBondContact O-N 2.81Å
252	P	61	Low	62.6	Low	78 Å²	78	105.5 Å²	105.5	51%	0.506	56%	0.555	S	S	.	*	H	α-helix	trans	-63	-37.9	-178.5	23.5	-33.7	0	0	0	111.3	Q248 E249 A256	Q248-P252 WeakPolarHBondContact O-CD 3.5Å; Q248-P252 WeakPolarHBondContact O-CG 3.26Å; E249-P252 WeakPolarHBondContact O-CD 3.48Å; E249-P252 WeakPolarHBondContact O-CG 3.14Å; P252-A256 WeakPolarHBondContact O-CB 3.29Å; P252-A256 PolarHBondContact O-N 2.85Å
253	L	68.8	Low	64	Low	119 Å²	119	104.7 Å²	104.7	62%	0.623	56%	0.558	S	S	*	*	H	α-helix	trans	-69.1	-45.6	176.5	-160.5	92.5	0	0	0	111.7	A250 A251 A256 I257	A250-L253 PolarHBondContact O-N 2.94Å; A251-L253 VanDerWaalsContact C-N 3.29Å; A251-L253 PolarHBondContact O-N 2.7Å; L253-A256 PolarHBondContact O-N 2.84Å; L253-I257 HydrophobicContact CD2-CD1 4.17Å; L253-I257 HydrophobicContact CG-CD1 4.24Å; L253-I257 VanDerWaalsContact O-CG1 3.26Å; L253-I257 WeakPolarHBondContact O-CG1 3.38Å; L253-I257 PolarHBondContact O-N 2.88Å
254	R	66.3	Low	65.8	Low	181 Å²	181	99.3 Å²	99.3	68%	0.683	54%	0.538	S	S	*	.	H	α-helix	trans	-64.4	-42.8	177.1	-73.8	178.4	-178.6	-173.8	3.9	111.4	A250 A251 I257 V258	A250-R254 VanDerWaalsContact O-CB 3.28Å; A250-R254 WeakPolarHBondContact O-CB 3.34Å; A250-R254 VanDerWaalsContact O-CG 3.26Å; A250-R254 WeakPolarHBondContact O-CG 3.44Å; A250-R254 PolarHBondContact O-N 2.81Å; A251-R254 PolarHBondContact O-N 3.34Å; R254-I257 PolarHBondContact O-N 3.39Å; R254-V258 WeakPolarHBondContact O-CB 3.23Å; R254-V258 WeakPolarHBondContact O-CG2 3.3Å; R254-V258 PolarHBondContact O-N 2.94Å
255	I	76.1	Confident	67.9	Low	95 Å²	95	97.9 Å²	97.9	49%	0.487	53%	0.525	S	S	.	.	H	α-helix	trans	-62.5	-44.6	174	-68.4	165.3	0	0	0	109.4	A251 I257 V258 L259	A251-I255 HydrophobicContact CB-CD1 4.08Å; A251-I255 WeakPolarHBondContact O-CA 3.37Å; A251-I255 WeakPolarHBondContact O-CB 2.96Å; A251-I255 WeakPolarHBondContact O-CD1 3.14Å; A251-I255 WeakPolarHBondContact O-CG1 3.31Å; A251-I255 PolarHBondContact O-N 2.81Å; I255-I257 PolarHBondContact O-N 2.94Å; I255-V258 PolarHBondContact O-N 3.2Å; I255-L259 HydrophobicContact CG2-CD1 3.63Å; I255-L259 HydrophobicContact CG2-CG 4.04Å; I255-L259 VanDerWaalsContact O-CB 3.27Å; I255-L259 WeakPolarHBondContact O-CB 3.34Å; I255-L259 WeakPolarHBondContact O-CG 3.46Å; I255-L259 PolarHBondContact O-N 2.91Å
256	A	74.7	Confident	69.6	Low	47 Å²	47	95.6 Å²	95.6	39%	0.388	52%	0.516	S	S	.	.	H	α-helix	trans	-61.9	-44.1	176.6	0	0	0	0	0	112	P252 L253 L259 V260	P252-A256 WeakPolarHBondContact O-CB 3.29Å; P252-A256 PolarHBondContact O-N 2.85Å; L253-A256 PolarHBondContact O-N 2.84Å; A256-L259 PolarHBondContact O-N 3.02Å; A256-V260 WeakPolarHBondContact O-CB 3.24Å; A256-V260 WeakPolarHBondContact O-CG2 3.37Å; A256-V260 PolarHBondContact O-N 3.24Å
257	I	75.7	Confident	71.4	Confident	96 Å²	96	93.1 Å²	93.1	49%	0.492	51%	0.507	S	S	.	.	H	α-helix	trans	-62.6	-44.8	175.8	-68.2	164.9	0	0	0	110.6	L253 R254 I255 V260 T261	L253-I257 HydrophobicContact CD2-CD1 4.17Å; L253-I257 HydrophobicContact CG-CD1 4.24Å; L253-I257 VanDerWaalsContact O-CG1 3.26Å; L253-I257 WeakPolarHBondContact O-CG1 3.38Å; L253-I257 PolarHBondContact O-N 2.88Å; R254-I257 PolarHBondContact O-N 3.39Å; I255-I257 PolarHBondContact O-N 2.94Å; I257-V260 PolarHBondContact O-N 3.43Å; I257-T261 HydrophobicContact CG2-CG2 4.39Å; I257-T261 WeakPolarHBondContact O-CB 3.34Å; I257-T261 VanDerWaalsContact O-CG2 3.27Å; I257-T261 WeakPolarHBondContact O-CG2 3.2Å; I257-T261 PolarHBondContact O-N 3.41Å; I257-T261 PolarHBondContact O-OG1 3.06Å
258	V	78.3	Confident	73.2	Confident	86 Å²	86	89.3 Å²	89.3	52%	0.521	49%	0.487	S	S	.	.	H	α-helix	trans	-64.2	-43.2	177.2	172.1	0	0	0	0	110.8	R254 I255 T261 V262	R254-V258 WeakPolarHBondContact O-CB 3.23Å; R254-V258 WeakPolarHBondContact O-CG2 3.3Å; R254-V258 PolarHBondContact O-N 2.94Å; I255-V258 PolarHBondContact O-N 3.2Å; V258-T261 VanDerWaalsContact CA-OG1 3.31Å; V258-T261 WeakPolarHBondContact CA-OG1 3.2Å; V258-T261 PolarHBondContact O-N 3.34Å; V258-T261 PolarHBondContact O-OG1 3.12Å; V258-V262 HydrophobicContact CG1-CG2 4.29Å; V258-V262 VanDerWaalsContact O-CB 3.3Å; V258-V262 WeakPolarHBondContact O-CB 3.45Å; V258-V262 WeakPolarHBondContact O-CG2 3Å; V258-V262 PolarHBondContact O-N 2.99Å
259	L	78.6	Confident	75	Confident	103 Å²	103	88.1 Å²	88.1	54%	0.539	48%	0.484	S	S	.	.	H	α-helix	trans	-64	-45.8	177.2	-74.3	173.6	0	0	0	111.4	I255 A256 V262 L263	I255-L259 HydrophobicContact CG2-CD1 3.63Å; I255-L259 HydrophobicContact CG2-CG 4.04Å; I255-L259 VanDerWaalsContact O-CB 3.27Å; I255-L259 WeakPolarHBondContact O-CB 3.34Å; I255-L259 WeakPolarHBondContact O-CG 3.46Å; I255-L259 PolarHBondContact O-N 2.91Å; A256-L259 PolarHBondContact O-N 3.02Å; L259-V262 PolarHBondContact O-N 3.33Å; L259-L263 VanDerWaalsContact O-CB 3.31Å; L259-L263 WeakPolarHBondContact O-CB 2.75Å; L259-L263 PolarHBondContact O-N 3.05Å
260	V	79.8	Confident	76.8	Confident	88 Å²	88	87.3 Å²	87.3	53%	0.533	48%	0.483	S	S	.	.	H	α-helix	trans	-63.5	-45.5	177.5	170.2	0	0	0	0	110.6	A256 I257 L263 V264	A256-V260 WeakPolarHBondContact O-CB 3.24Å; A256-V260 WeakPolarHBondContact O-CG2 3.37Å; A256-V260 PolarHBondContact O-N 3.24Å; I257-V260 PolarHBondContact O-N 3.43Å; V260-L263 PolarHBondContact O-N 3.29Å; V260-V264 HydrophobicContact CG1-CG2 4.31Å; V260-V264 WeakPolarHBondContact O-CB 3.35Å; V260-V264 VanDerWaalsContact O-CG2 3.23Å; V260-V264 WeakPolarHBondContact O-CG2 3.44Å; V260-V264 PolarHBondContact O-N 3.47Å
261	T	75.5	Confident	78.5	Confident	68 Å²	68	88.7 Å²	88.7	42%	0.417	49%	0.49	S	S	.	.	H	α-helix	trans	-63.8	-42.2	177.7	49.9	0	0	0	0	111.7	I257 V258 V264 I265	I257-T261 HydrophobicContact CG2-CG2 4.39Å; I257-T261 WeakPolarHBondContact O-CB 3.34Å; I257-T261 VanDerWaalsContact O-CG2 3.27Å; I257-T261 WeakPolarHBondContact O-CG2 3.2Å; I257-T261 PolarHBondContact O-N 3.41Å; I257-T261 PolarHBondContact O-OG1 3.06Å; V258-T261 VanDerWaalsContact CA-OG1 3.31Å; V258-T261 WeakPolarHBondContact CA-OG1 3.2Å; V258-T261 PolarHBondContact O-N 3.34Å; V258-T261 PolarHBondContact O-OG1 3.12Å; T261-V264 PolarHBondContact O-N 3.17Å; T261-I265 WeakPolarHBondContact O-CB 3.03Å; T261-I265 WeakPolarHBondContact O-CD1 3.43Å; T261-I265 WeakPolarHBondContact O-CG1 3.25Å; T261-I265 PolarHBondContact O-N 2.81Å
262	V	83.9	Confident	79.8	Confident	84 Å²	84	90.1 Å²	90.1	51%	0.509	50%	0.495	S	S	.	.	H	α-helix	trans	-64	-41.1	174.2	171.1	0	0	0	0	111.5	V258 L259 I265 S266	V258-V262 HydrophobicContact CG1-CG2 4.29Å; V258-V262 VanDerWaalsContact O-CB 3.3Å; V258-V262 WeakPolarHBondContact O-CB 3.45Å; V258-V262 WeakPolarHBondContact O-CG2 3Å; V258-V262 PolarHBondContact O-N 2.99Å; L259-V262 PolarHBondContact O-N 3.33Å; V262-I265 PolarHBondContact O-N 3.28Å; V262-S266 WeakPolarHBondContact O-CB 3.45Å; V262-S266 PolarHBondContact O-N 3.31Å; V262-S266 PolarHBondContact O-OG 3.39Å
263	L	83	Confident	81	Confident	103 Å²	103	89 Å²	89	54%	0.539	49%	0.492	S	S	.	.	H	α-helix	trans	-62.6	-46.1	175.5	-115.7	151.9	0	0	0	111.6	L259 V260 S266 I267	L259-L263 VanDerWaalsContact O-CB 3.31Å; L259-L263 WeakPolarHBondContact O-CB 2.75Å; L259-L263 PolarHBondContact O-N 3.05Å; V260-L263 PolarHBondContact O-N 3.29Å; L263-S266 VanDerWaalsContact CA-OG 3.31Å; L263-S266 WeakPolarHBondContact CA-OG 3.4Å; L263-S266 PolarHBondContact O-N 2.03Å; L263-S266 PolarHBondContact O-OG 2.97Å; L263-I267 HydrophobicContact CD2-CD1 3.89Å; L263-I267 HydrophobicContact CD2-CG1 4.4Å; L263-I267 WeakPolarHBondContact O-CB 3.29Å; L263-I267 WeakPolarHBondContact O-CG1 3.19Å; L263-I267 PolarHBondContact O-N 3.29Å
264	V	84.2	Confident	81.9	Confident	75 Å²	75	90.3 Å²	90.3	46%	0.455	49%	0.49	S	S	.	.	H	α-helix	trans	-63.1	-45.5	177.8	171.5	0	0	0	0	110.5	V260 T261 I267 I268	V260-V264 HydrophobicContact CG1-CG2 4.31Å; V260-V264 WeakPolarHBondContact O-CB 3.35Å; V260-V264 VanDerWaalsContact O-CG2 3.23Å; V260-V264 WeakPolarHBondContact O-CG2 3.44Å; V260-V264 PolarHBondContact O-N 3.47Å; T261-V264 PolarHBondContact O-N 3.17Å; V264-I267 PolarHBondContact O-N 3.33Å; V264-I268 HydrophobicContact CG1-CD1 3.79Å; V264-I268 WeakPolarHBondContact O-CB 3Å; V264-I268 WeakPolarHBondContact O-CD1 3.37Å; V264-I268 WeakPolarHBondContact O-CG1 3.28Å; V264-I268 PolarHBondContact O-N 3.34Å
265	I	85.4	Confident	82.9	Confident	97 Å²	97	86.7 Å²	86.7	50%	0.497	48%	0.481	S	S	.	.	H	α-helix	trans	-63.4	-44.1	178.1	-69.3	166.2	0	0	0	110.8	T261 V262 I268 L269	T261-I265 WeakPolarHBondContact O-CB 3.03Å; T261-I265 WeakPolarHBondContact O-CD1 3.43Å; T261-I265 WeakPolarHBondContact O-CG1 3.25Å; T261-I265 PolarHBondContact O-N 2.81Å; V262-I265 PolarHBondContact O-N 3.28Å; I265-I268 PolarHBondContact O-N 3.35Å; I265-L269 HydrophobicContact CG2-CD1 3.92Å; I265-L269 HydrophobicContact CG2-CG 4.34Å; I265-L269 WeakPolarHBondContact O-CB 3.37Å; I265-L269 VanDerWaalsContact O-CG 3.28Å; I265-L269 WeakPolarHBondContact O-CG 3.48Å; I265-L269 PolarHBondContact O-N 3.32Å
266	S	82.8	Confident	83.5	Confident	46 Å²	46	90.5 Å²	90.5	32%	0.322	49%	0.489	S	S	.	.	H	α-helix	trans	-67.4	-38.8	179.5	48	0	0	0	0	112.5	V262 L263 L269 L270	V262-S266 WeakPolarHBondContact O-CB 3.45Å; V262-S266 PolarHBondContact O-N 3.31Å; V262-S266 PolarHBondContact O-OG 3.39Å; L263-S266 VanDerWaalsContact CA-OG 3.31Å; L263-S266 WeakPolarHBondContact CA-OG 3.4Å; L263-S266 PolarHBondContact O-N 2.03Å; L263-S266 PolarHBondContact O-OG 2.97Å; S266-L269 PolarHBondContact O-N 2.87Å; S266-L270 WeakPolarHBondContact O-CB 3.3Å; S266-L270 VanDerWaalsContact O-CG 3.3Å; S266-L270 WeakPolarHBondContact O-CG 3.46Å; S266-L270 PolarHBondContact O-N 2.96Å
267	I	86.3	Confident	84.1	Confident	89 Å²	89	94.6 Å²	94.6	46%	0.456	50%	0.499	S	S	.	.	H	α-helix	trans	-61.3	-46	171.1	-69.5	166.8	0	0	0	110.6	L263 V264 L269 L270 C271	L263-I267 HydrophobicContact CD2-CD1 3.89Å; L263-I267 HydrophobicContact CD2-CG1 4.4Å; L263-I267 WeakPolarHBondContact O-CB 3.29Å; L263-I267 WeakPolarHBondContact O-CG1 3.19Å; L263-I267 PolarHBondContact O-N 3.29Å; V264-I267 PolarHBondContact O-N 3.33Å; I267-L269 VanDerWaalsContact C-N 3.34Å; I267-L269 PolarHBondContact O-N 3.15Å; I267-L270 PolarHBondContact O-N 3.46Å; I267-C271 WeakPolarHBondContact O-CB 3.14Å; I267-C271 PolarHBondContact O-N 2.79Å; I267-C271 PolarHBondContact O-SG 2.98Å
268	I	85.4	Confident	84.6	Confident	74 Å²	74	93 Å²	93	38%	0.379	49%	0.49	S	S	.	.	H	α-helix	trans	-59.7	-45.9	177.4	-70.2	166.5	0	0	0	110.5	V264 I265 C271 V272	V264-I268 HydrophobicContact CG1-CD1 3.79Å; V264-I268 WeakPolarHBondContact O-CB 3Å; V264-I268 WeakPolarHBondContact O-CD1 3.37Å; V264-I268 WeakPolarHBondContact O-CG1 3.28Å; V264-I268 PolarHBondContact O-N 3.34Å; I265-I268 PolarHBondContact O-N 3.35Å; I268-C271 PolarHBondContact O-N 2.84Å; I268-V272 VanDerWaalsContact O-CG2 3.31Å; I268-V272 WeakPolarHBondContact O-CG2 3.15Å; I268-V272 PolarHBondContact O-N 3.34Å
269	L	88.3	Confident	85	Confident	111 Å²	111	97.8 Å²	97.8	58%	0.581	50%	0.499	S	S	*	.	H	α-helix	trans	-63.9	-41.9	178.6	-72.6	174.5	0	0	0	112.1	I265 S266 I267 V272 A273	I265-L269 HydrophobicContact CG2-CD1 3.92Å; I265-L269 HydrophobicContact CG2-CG 4.34Å; I265-L269 WeakPolarHBondContact O-CB 3.37Å; I265-L269 VanDerWaalsContact O-CG 3.28Å; I265-L269 WeakPolarHBondContact O-CG 3.48Å; I265-L269 PolarHBondContact O-N 3.32Å; S266-L269 PolarHBondContact O-N 2.87Å; I267-L269 VanDerWaalsContact C-N 3.34Å; I267-L269 PolarHBondContact O-N 3.15Å; L269-V272 PolarHBondContact O-N 2.83Å; L269-A273 VanDerWaalsContact O-CB 3.29Å; L269-A273 WeakPolarHBondContact O-CB 3.45Å; L269-A273 PolarHBondContact O-N 3.26Å
270	L	88.7	Confident	85.4	Confident	124 Å²	124	101.4 Å²	101.4	65%	0.649	51%	0.506	S	S	*	.	H	α-helix	trans	-63.7	-42.9	174.6	-76.4	170.4	0	0	0	111.6	S266 I267 A273 Y274	S266-L270 WeakPolarHBondContact O-CB 3.3Å; S266-L270 VanDerWaalsContact O-CG 3.3Å; S266-L270 WeakPolarHBondContact O-CG 3.46Å; S266-L270 PolarHBondContact O-N 2.96Å; I267-L270 PolarHBondContact O-N 3.46Å; L270-A273 PolarHBondContact O-N 2.98Å; L270-Y274 VanDerWaalsContact O-CB 3.23Å; L270-Y274 WeakPolarHBondContact O-CB 2.9Å; L270-Y274 PolarHBondContact O-N 2.88Å
271	C	86.6	Confident	85.8	Confident	66 Å²	66	100.1 Å²	100.1	45%	0.446	50%	0.496	S	S	.	.	H	α-helix	trans	-61.3	-44.7	174.5	-73.8	0	0	0	0	111.6	I267 I268 Y274 Q275	I267-C271 WeakPolarHBondContact O-CB 3.14Å; I267-C271 PolarHBondContact O-N 2.79Å; I267-C271 PolarHBondContact O-SG 2.98Å; I268-C271 PolarHBondContact O-N 2.84Å; C271-Y274 PolarHBondContact O-N 3.14Å; C271-Q275 WeakPolarHBondContact O-CB 3.22Å; C271-Q275 VanDerWaalsContact O-CG 3.32Å; C271-Q275 WeakPolarHBondContact O-CG 2.94Å; C271-Q275 PolarHBondContact O-N 3.31Å
272	V	86.4	Confident	86.4	Confident	62 Å²	62	105 Å²	105	38%	0.376	51%	0.506	S	S	.	.	H	α-helix	trans	-63.9	-43.1	176.4	170.5	0	0	0	0	111	I268 L269 Q275 R276	I268-V272 VanDerWaalsContact O-CG2 3.31Å; I268-V272 WeakPolarHBondContact O-CG2 3.15Å; I268-V272 PolarHBondContact O-N 3.34Å; L269-V272 PolarHBondContact O-N 2.83Å; V272-Q275 PolarHBondContact O-N 3.32Å; V272-R276 WeakPolarHBondContact O-CB 3.35Å; V272-R276 VanDerWaalsContact O-CG 3.29Å; V272-R276 WeakPolarHBondContact O-CG 3.46Å; V272-R276 PolarHBondContact O-N 3.13Å
273	A	87.2	Confident	86.5	Confident	54 Å²	54	105.6 Å²	105.6	45%	0.446	51%	0.507	S	S	.	.	H	α-helix	trans	-63.7	-43.4	177	0	0	0	0	0	111.7	L269 L270 R276 K277	L269-A273 VanDerWaalsContact O-CB 3.29Å; L269-A273 WeakPolarHBondContact O-CB 3.45Å; L269-A273 PolarHBondContact O-N 3.26Å; L270-A273 PolarHBondContact O-N 2.98Å; A273-R276 WeakPolarHBondContact O-CB 2.87Å; A273-R276 PolarHBondContact O-N 3.23Å; A273-K277 PolarHBondContact O-N 3Å
274	Y	88	Confident	86.8	Confident	148 Å²	148	108.5 Å²	108.5	58%	0.58	51%	0.51	S	S	*	.	H	α-helix	trans	-64.8	-44.6	177.2	-175.8	-111.3	0	0	0	111.9	L270 C271 R276 K277 L278	L270-Y274 VanDerWaalsContact O-CB 3.23Å; L270-Y274 WeakPolarHBondContact O-CB 2.9Å; L270-Y274 PolarHBondContact O-N 2.88Å; C271-Y274 PolarHBondContact O-N 3.14Å; Y274-R276 VanDerWaalsContact C-N 3.32Å; Y274-R276 PolarHBondContact O-N 3.45Å; Y274-K277 PolarHBondContact O-N 3.23Å; Y274-L278 HydrophobicContact CD1-CD1 3.68Å; Y274-L278 HydrophobicContact CE1-CD1 3.24Å; Y274-L278 HydrophobicContact CE1-CG 4.19Å; Y274-L278 HydrophobicContact CE2-CD1 4.4Å; Y274-L278 HydrophobicContact CG-CD1 4.44Å; Y274-L278 PolarHBondContact O-N 3.24Å
275	Q	87.1	Confident	86.9	Confident	104 Å²	104	111.1 Å²	111.1	49%	0.486	52%	0.518	S	S	.	.	H	α-helix	trans	-61.8	-39.8	173.9	-75.3	-172.3	4.1	0	0	112.1	C271 V272 R279	C271-Q275 WeakPolarHBondContact O-CB 3.22Å; C271-Q275 VanDerWaalsContact O-CG 3.32Å; C271-Q275 WeakPolarHBondContact O-CG 2.94Å; C271-Q275 PolarHBondContact O-N 3.31Å; V272-Q275 PolarHBondContact O-N 3.32Å; Q275-R279 WeakPolarHBondContact O-CB 3.48Å; Q275-R279 PolarHBondContact O-N 2.83Å
276	R	88.1	Confident	87	Confident	175 Å²	175	113.2 Å²	113.2	66%	0.66	52%	0.523	S	S	*	.	H	α-helix	trans	-62.5	-42.3	173.6	-77	177.4	179.4	-174.2	1.2	111.6	V272 A273 Y274 R279 R280	V272-R276 WeakPolarHBondContact O-CB 3.35Å; V272-R276 VanDerWaalsContact O-CG 3.29Å; V272-R276 WeakPolarHBondContact O-CG 3.46Å; V272-R276 PolarHBondContact O-N 3.13Å; A273-R276 WeakPolarHBondContact O-CB 2.87Å; A273-R276 PolarHBondContact O-N 3.23Å; Y274-R276 VanDerWaalsContact C-N 3.32Å; Y274-R276 PolarHBondContact O-N 3.45Å; R276-R279 PolarHBondContact O-N 2.91Å; R276-R280 WeakPolarHBondContact O-CG 3.19Å; R276-R280 PolarHBondContact O-N 2.85Å
277	K	87.4	Confident	87.2	Confident	134 Å²	134	118.1 Å²	118.1	58%	0.583	54%	0.539	S	S	*	.	H	α-helix	trans	-63.3	-51.5	176.6	-172.6	178.9	177.2	-178	0	111.5	A273 Y274 R279 R280 D281	A273-K277 PolarHBondContact O-N 3Å; Y274-K277 PolarHBondContact O-N 3.23Å; K277-R279 VanDerWaalsContact C-N 3.28Å; K277-R279 PolarHBondContact O-N 2.84Å; K277-R280 WeakPolarHBondContact O-CA 3.49Å; K277-R280 WeakPolarHBondContact O-CB 3.33Å; K277-R280 PolarHBondContact O-N 2.81Å; K277-D281 PolarHBondContact O-N 2.95Å
278	L	85.5	Confident	87.3	Confident	61 Å²	61	120 Å²	120	32%	0.319	55%	0.545	S	S	.	.	H	α-helix	trans	-54.5	-43	175.1	-89.3	164.2	0	0	0	112.6	Y274 D281 R282	Y274-L278 HydrophobicContact CD1-CD1 3.68Å; Y274-L278 HydrophobicContact CE1-CD1 3.24Å; Y274-L278 HydrophobicContact CE1-CG 4.19Å; Y274-L278 HydrophobicContact CE2-CD1 4.4Å; Y274-L278 HydrophobicContact CG-CD1 4.44Å; Y274-L278 PolarHBondContact O-N 3.24Å; L278-D281 PolarHBondContact O-N 3.02Å; L278-R282 WeakPolarHBondContact O-CB 3.18Å; L278-R282 WeakPolarHBondContact O-CG 3.42Å; L278-R282 PolarHBondContact O-N 2.59Å
279	R	87.3	Confident	87.3	Confident	188 Å²	188	121 Å²	121	71%	0.709	55%	0.551	S	S	*	*	H	α-helix	trans	-64.9	-40.9	177.1	-169.7	174.8	-179.1	177.6	-0.5	111.5	Q275 R276 K277 L283	Q275-R279 WeakPolarHBondContact O-CB 3.48Å; Q275-R279 PolarHBondContact O-N 2.83Å; R276-R279 PolarHBondContact O-N 2.91Å; K277-R279 VanDerWaalsContact C-N 3.28Å; K277-R279 PolarHBondContact O-N 2.84Å; R279-L283 HydrophobicContact CG-CD1 4.42Å; R279-L283 VanDerWaalsContact O-CG 3.26Å; R279-L283 WeakPolarHBondContact O-CG 3.14Å; R279-L283 PolarHBondContact O-N 3.21Å; R279-L283 VanDerWaalsContact O-N 3.1Å
280	R	87.6	Confident	87.1	Confident	179 Å²	179	123.7 Å²	123.7	68%	0.675	55%	0.554	S	S	*	*	H	α-helix	trans	-63.6	-43.7	174.9	-77.3	179.6	175.1	-179.1	-1.1	111.8	R276 K277 L283 R284	R276-R280 WeakPolarHBondContact O-CG 3.19Å; R276-R280 PolarHBondContact O-N 2.85Å; K277-R280 WeakPolarHBondContact O-CA 3.49Å; K277-R280 WeakPolarHBondContact O-CB 3.33Å; K277-R280 PolarHBondContact O-N 2.81Å; R280-L283 WeakPolarHBondContact O-CB 3.24Å; R280-L283 PolarHBondContact O-N 2.84Å; R280-R284 WeakPolarHBondContact O-CG 3.32Å; R280-R284 PolarHBondContact O-N 3.35Å
281	D	87.9	Confident	86.9	Confident	61 Å²	61	124.3 Å²	124.3	33%	0.326	55%	0.551	S	S	.	*	H	α-helix	trans	-68.4	-41.2	-179.1	-68.3	-21.3	0	0	0	111.8	K277 L278 L283 R284 Q285	K277-D281 PolarHBondContact O-N 2.95Å; L278-D281 PolarHBondContact O-N 3.02Å; D281-L283 VanDerWaalsContact C-N 3.29Å; D281-L283 PolarHBondContact O-N 2.77Å; D281-R284 PolarHBondContact O-N 3.45Å; D281-R284 VanDerWaalsContact O-N 3.15Å; D281-Q285 PolarHBondContact O-N 2.97Å
282	R	86.9	Confident	86.8	Confident	169 Å²	169	126.2 Å²	126.2	64%	0.638	55%	0.554	S	S	*	*	H	α-helix	trans	-59.8	-38.5	171.5	-74.3	179.9	-177.8	-176.6	1.4	112.4	L278 K286	L278-R282 WeakPolarHBondContact O-CB 3.18Å; L278-R282 WeakPolarHBondContact O-CG 3.42Å; L278-R282 PolarHBondContact O-N 2.59Å; R282-K286 WeakPolarHBondContact O-CB 3.47Å; R282-K286 WeakPolarHBondContact O-CG 3.37Å; R282-K286 PolarHBondContact O-N 3.16Å
283	L	86.8	Confident	86.6	Confident	98 Å²	98	126.7 Å²	126.7	51%	0.513	55%	0.554	S	S	.	*	H	α-helix	trans	-68.6	-38	175.7	-74	168.5	0	0	0	111.9	R279 R280 D281 K286 K287	R279-L283 HydrophobicContact CG-CD1 4.42Å; R279-L283 VanDerWaalsContact O-CG 3.26Å; R279-L283 WeakPolarHBondContact O-CG 3.14Å; R279-L283 PolarHBondContact O-N 3.21Å; R279-L283 VanDerWaalsContact O-N 3.1Å; R280-L283 WeakPolarHBondContact O-CB 3.24Å; R280-L283 PolarHBondContact O-N 2.84Å; D281-L283 VanDerWaalsContact C-N 3.29Å; D281-L283 PolarHBondContact O-N 2.77Å; L283-K286 PolarHBondContact O-N 3.16Å; L283-K287 WeakPolarHBondContact O-CG 3.3Å; L283-K287 PolarHBondContact O-N 2.9Å
284	R	88.9	Confident	86.5	Confident	163 Å²	163	129.7 Å²	129.7	62%	0.615	56%	0.559	S	S	*	*	H	α-helix	trans	-65	-46.7	175.4	-75.1	175.7	174.7	-176.3	-4	111.8	R280 D281 K286 K287 Q288	R280-R284 WeakPolarHBondContact O-CG 3.32Å; R280-R284 PolarHBondContact O-N 3.35Å; D281-R284 PolarHBondContact O-N 3.45Å; D281-R284 VanDerWaalsContact O-N 3.15Å; R284-K286 VanDerWaalsContact C-N 3.35Å; R284-K286 PolarHBondContact O-N 3.04Å; R284-K287 PolarHBondContact O-N 2.88Å; R284-K287 VanDerWaalsContact O-N 3.13Å; R284-Q288 PolarHBondContact O-N 2.66Å
285	Q	87.2	Confident	86.2	Confident	131 Å²	131	128.4 Å²	128.4	61%	0.612	56%	0.558	S	S	*	*	H	α-helix	trans	-60.2	-43.4	175.1	-73.8	-176.8	-12.6	0	0	111.8	D281 K287 Q288 L289	D281-Q285 PolarHBondContact O-N 2.97Å; Q285-K287 VanDerWaalsContact C-N 3.32Å; Q285-K287 PolarHBondContact O-N 2.92Å; Q285-Q288 PolarHBondContact O-N 2.77Å; Q285-L289 WeakPolarHBondContact O-CB 3.2Å; Q285-L289 PolarHBondContact O-N 3Å
286	K	86.3	Confident	85.8	Confident	140 Å²	140	130.6 Å²	130.6	61%	0.609	57%	0.566	S	S	*	*	H	α-helix	trans	-60.7	-39.4	174	-79.2	-173.7	176.5	-172.1	0	112.5	R282 L283 R284 R290	R282-K286 WeakPolarHBondContact O-CB 3.47Å; R282-K286 WeakPolarHBondContact O-CG 3.37Å; R282-K286 PolarHBondContact O-N 3.16Å; L283-K286 PolarHBondContact O-N 3.16Å; R284-K286 VanDerWaalsContact C-N 3.35Å; R284-K286 PolarHBondContact O-N 3.04Å; K286-R290 WeakPolarHBondContact O-CB 3.2Å; K286-R290 VanDerWaalsContact O-CG 3.29Å; K286-R290 WeakPolarHBondContact O-CG 3.29Å; K286-R290 PolarHBondContact O-N 3.23Å; K286-R290 VanDerWaalsContact O-N 3.08Å
287	K	87.3	Confident	85.4	Confident	150 Å²	150	130.2 Å²	130.2	65%	0.652	57%	0.565	S	S	*	*	H	α-helix	trans	-67.4	-43.3	175.8	-75.8	-176.9	178.4	-170.8	0	112.1	L283 R284 Q285 R290 K291	L283-K287 WeakPolarHBondContact O-CG 3.3Å; L283-K287 PolarHBondContact O-N 2.9Å; R284-K287 PolarHBondContact O-N 2.88Å; R284-K287 VanDerWaalsContact O-N 3.13Å; Q285-K287 VanDerWaalsContact C-N 3.32Å; Q285-K287 PolarHBondContact O-N 2.92Å; K287-R290 PolarHBondContact O-N 3.25Å; K287-K291 PolarHBondContact O-N 3.47Å
288	Q	88.2	Confident	84.9	Confident	127 Å²	127	129 Å²	129	59%	0.593	56%	0.563	S	S	*	*	H	α-helix	trans	-64.5	-43.8	176.9	-74.7	174.6	-29.5	0	0	111.9	R284 Q285 R290 K291 M292	R284-Q288 PolarHBondContact O-N 2.66Å; Q285-Q288 PolarHBondContact O-N 2.77Å; Q288-R290 VanDerWaalsContact C-N 3.32Å; Q288-R290 PolarHBondContact O-N 2.83Å; Q288-K291 PolarHBondContact O-N 3.47Å; Q288-M292 PolarHBondContact O-N 3.48Å
289	L	85.2	Confident	84.5	Confident	96 Å²	96	131.2 Å²	131.2	50%	0.503	57%	0.574	S	S	.	*	H	α-helix	trans	-61.5	-41.3	176	-175.7	64.4	0	0	0	111.6	Q285 M292 I293	Q285-L289 WeakPolarHBondContact O-CB 3.2Å; Q285-L289 PolarHBondContact O-N 3Å; L289-M292 HydrophobicContact CD1-CE 4.21Å; L289-M292 PolarHBondContact O-N 2.83Å; L289-I293 HydrophobicContact CD1-CD1 4.27Å; L289-I293 HydrophobicContact CG-CD1 3.91Å; L289-I293 WeakPolarHBondContact O-CB 3.36Å; L289-I293 VanDerWaalsContact O-CG1 3.23Å; L289-I293 WeakPolarHBondContact O-CG1 3.21Å; L289-I293 PolarHBondContact O-N 2.78Å
290	R	85	Confident	83.9	Confident	168 Å²	168	129.7 Å²	129.7	63%	0.634	57%	0.573	S	S	*	*	H	α-helix	trans	-60.7	-45.2	174.1	-77.2	177.6	-177.6	-168.2	-1.2	111.9	K286 K287 Q288 I293 E294	K286-R290 WeakPolarHBondContact O-CB 3.2Å; K286-R290 VanDerWaalsContact O-CG 3.29Å; K286-R290 WeakPolarHBondContact O-CG 3.29Å; K286-R290 PolarHBondContact O-N 3.23Å; K286-R290 VanDerWaalsContact O-N 3.08Å; K287-R290 PolarHBondContact O-N 3.25Å; Q288-R290 VanDerWaalsContact C-N 3.32Å; Q288-R290 PolarHBondContact O-N 2.83Å; R290-I293 PolarHBondContact O-N 2.74Å; R290-E294 WeakPolarHBondContact O-CB 3.43Å; R290-E294 WeakPolarHBondContact O-CG 3.38Å; R290-E294 PolarHBondContact O-N 2.91Å
291	K	84.4	Confident	83.2	Confident	136 Å²	136	129.6 Å²	129.6	59%	0.591	57%	0.572	S	S	*	*	H	α-helix	trans	-59.6	-47.7	174.9	-75.4	-169.9	173.3	-165.1	0	112.2	K287 Q288 I293 E294 E295	K287-K291 PolarHBondContact O-N 3.47Å; Q288-K291 PolarHBondContact O-N 3.47Å; K291-I293 VanDerWaalsContact C-N 3.31Å; K291-I293 PolarHBondContact O-N 3.31Å; K291-E294 PolarHBondContact O-N 2.76Å; K291-E295 WeakPolarHBondContact O-CB 3.27Å; K291-E295 WeakPolarHBondContact O-CG 2.89Å; K291-E295 PolarHBondContact O-N 2.65Å
292	M	83.4	Confident	82.2	Confident	106 Å²	106	133.7 Å²	133.7	52%	0.522	59%	0.587	S	S	.	*	H	α-helix	trans	-62.4	-36.3	177	-71.2	-163.6	-64.3	0	0	112.7	Q288 L289 K296	Q288-M292 PolarHBondContact O-N 3.48Å; L289-M292 HydrophobicContact CD1-CE 4.21Å; L289-M292 PolarHBondContact O-N 2.83Å; M292-K296 VanDerWaalsContact O-CB 3.32Å; M292-K296 WeakPolarHBondContact O-CB 3.36Å; M292-K296 WeakPolarHBondContact O-CG 3.31Å; M292-K296 PolarHBondContact O-N 3.2Å
293	I	84.1	Confident	81.3	Confident	73 Å²	73	130.5 Å²	130.5	37%	0.374	58%	0.583	S	S	.	*	H	α-helix	trans	-68.2	-40.5	175.2	-69.7	167	0	0	0	110.8	L289 R290 K291 R297	L289-I293 HydrophobicContact CD1-CD1 4.27Å; L289-I293 HydrophobicContact CG-CD1 3.91Å; L289-I293 WeakPolarHBondContact O-CB 3.36Å; L289-I293 VanDerWaalsContact O-CG1 3.23Å; L289-I293 WeakPolarHBondContact O-CG1 3.21Å; L289-I293 PolarHBondContact O-N 2.78Å; R290-I293 PolarHBondContact O-N 2.74Å; K291-I293 VanDerWaalsContact C-N 3.31Å; K291-I293 PolarHBondContact O-N 3.31Å; I293-R297 WeakPolarHBondContact O-CB 3.22Å; I293-R297 VanDerWaalsContact O-CG 3.31Å; I293-R297 WeakPolarHBondContact O-CG 3.44Å; I293-R297 PolarHBondContact O-N 2.93Å
294	E	83	Confident	80.4	Confident	117 Å²	117	131.8 Å²	131.8	55%	0.547	59%	0.585	S	S	.	*	H	α-helix	trans	-65.5	-46.3	175.5	-76.3	169.5	-172.6	0	0	111.8	R290 K291 R297 M298	R290-E294 WeakPolarHBondContact O-CB 3.43Å; R290-E294 WeakPolarHBondContact O-CG 3.38Å; R290-E294 PolarHBondContact O-N 2.91Å; K291-E294 PolarHBondContact O-N 2.76Å; E294-R297 WeakPolarHBondContact O-CB 3.37Å; E294-R297 PolarHBondContact O-N 2.94Å; E294-R297 VanDerWaalsContact O-N 3.13Å; E294-M298 VanDerWaalsContact O-CG 3.3Å; E294-M298 WeakPolarHBondContact O-CG 3.09Å; E294-M298 PolarHBondContact O-N 2.86Å
295	E	82.1	Confident	79.3	Confident	120 Å²	120	128.4 Å²	128.4	56%	0.561	58%	0.582	S	S	*	*	H	α-helix	trans	-60.2	-45.8	174.2	-75.5	173.2	-178.6	0	0	111.6	K291 R297 M298 L299	K291-E295 WeakPolarHBondContact O-CB 3.27Å; K291-E295 WeakPolarHBondContact O-CG 2.89Å; K291-E295 PolarHBondContact O-N 2.65Å; E295-R297 VanDerWaalsContact C-N 3.29Å; E295-R297 PolarHBondContact O-N 3.35Å; E295-M298 PolarHBondContact O-N 3.42Å; E295-M298 VanDerWaalsContact O-N 3.16Å; E295-L299 WeakPolarHBondContact O-CB 3.29Å; E295-L299 WeakPolarHBondContact O-CG 3.49Å; E295-L299 PolarHBondContact O-N 2.85Å
296	K	78.8	Confident	78.2	Confident	150 Å²	150	125.2 Å²	125.2	65%	0.652	57%	0.574	S	S	*	*	H	α-helix	trans	-61.8	-35.2	173.8	-80.9	-170.9	175.7	-174.1	0	112.6	M292 K300	M292-K296 VanDerWaalsContact O-CB 3.32Å; M292-K296 WeakPolarHBondContact O-CB 3.36Å; M292-K296 WeakPolarHBondContact O-CG 3.31Å; M292-K296 PolarHBondContact O-N 3.2Å; K296-K300 WeakPolarHBondContact O-CB 3.19Å; K296-K300 WeakPolarHBondContact O-CG 3.36Å; K296-K300 PolarHBondContact O-N 3.22Å
297	R	79.4	Confident	77.4	Confident	167 Å²	167	120.7 Å²	120.7	63%	0.63	56%	0.56	S	S	*	*	H	α-helix	trans	-68.5	-39	173.7	-78.2	178.1	-171.1	-177.9	2.3	111.7	I293 E294 E295 R301	I293-R297 WeakPolarHBondContact O-CB 3.22Å; I293-R297 VanDerWaalsContact O-CG 3.31Å; I293-R297 WeakPolarHBondContact O-CG 3.44Å; I293-R297 PolarHBondContact O-N 2.93Å; E294-R297 WeakPolarHBondContact O-CB 3.37Å; E294-R297 PolarHBondContact O-N 2.94Å; E294-R297 VanDerWaalsContact O-N 3.13Å; E295-R297 VanDerWaalsContact C-N 3.29Å; E295-R297 PolarHBondContact O-N 3.35Å; R297-R301 WeakPolarHBondContact O-CG 3.5Å; R297-R301 PolarHBondContact O-N 3.37Å
298	M	78.2	Confident	76.5	Confident	110 Å²	110	118.4 Å²	118.4	54%	0.542	55%	0.553	S	S	.	*	H	α-helix	trans	-65.8	-45.2	175.9	-69.8	-76.6	-79.4	0	0	111.4	E294 E295 R301 F302	E294-M298 VanDerWaalsContact O-CG 3.3Å; E294-M298 WeakPolarHBondContact O-CG 3.09Å; E294-M298 PolarHBondContact O-N 2.86Å; E295-M298 PolarHBondContact O-N 3.42Å; E295-M298 VanDerWaalsContact O-N 3.16Å; M298-R301 WeakPolarHBondContact O-CB 2.82Å; M298-R301 PolarHBondContact O-N 2.95Å; M298-F302 PolarHBondContact O-N 3.23Å
299	L	77	Confident	75.4	Confident	106 Å²	106	114.7 Å²	114.7	56%	0.555	54%	0.544	S	S	*	.	H	α-helix	trans	-62.1	-46.1	175.7	-76.8	163.4	0	0	0	111.8	E295 R301 F302 D303	E295-L299 WeakPolarHBondContact O-CB 3.29Å; E295-L299 WeakPolarHBondContact O-CG 3.49Å; E295-L299 PolarHBondContact O-N 2.85Å; L299-R301 VanDerWaalsContact C-N 3.27Å; L299-R301 PolarHBondContact O-N 3.25Å; L299-F302 CarbonylContact O-C 3.54Å; L299-F302 WeakPolarHBondContact O-CA 3.38Å; L299-F302 WeakPolarHBondContact O-CB 3.5Å; L299-F302 PolarHBondContact O-N 3.23Å; L299-D303 PolarHBondContact O-N 3.14Å
300	K	74.3	Confident	74.5	Confident	157 Å²	157	113.5 Å²	113.5	68%	0.683	54%	0.544	S	S	*	.	H	α-helix	trans	-60.6	-34.8	174.2	-78.7	-171.4	175.9	-167.8	0	113	K296 F304	K296-K300 WeakPolarHBondContact O-CB 3.19Å; K296-K300 WeakPolarHBondContact O-CG 3.36Å; K296-K300 PolarHBondContact O-N 3.22Å; K300-F304 WeakPolarHBondContact O-CB 3.47Å; K300-F304 PolarHBondContact O-N 2.96Å
301	R	72.6	Confident	73.4	Confident	177 Å²	177	114.8 Å²	114.8	67%	0.668	55%	0.548	S	S	*	.	H	α-helix	trans	-67.5	-40.5	172.5	-75.7	176.3	178.5	-174	-1.7	111.2	R297 M298 L299 F304 V305	R297-R301 WeakPolarHBondContact O-CG 3.5Å; R297-R301 PolarHBondContact O-N 3.37Å; M298-R301 WeakPolarHBondContact O-CB 2.82Å; M298-R301 PolarHBondContact O-N 2.95Å; L299-R301 VanDerWaalsContact C-N 3.27Å; L299-R301 PolarHBondContact O-N 3.25Å; R301-F304 PolarHBondContact O-N 2.97Å; R301-V305 WeakPolarHBondContact O-CB 3.44Å; R301-V305 VanDerWaalsContact O-CG2 3.22Å; R301-V305 WeakPolarHBondContact O-CG2 3.42Å; R301-V305 PolarHBondContact O-N 2.91Å
302	F	67.5	Low	72.7	Confident	146 Å²	146	114.4 Å²	114.4	64%	0.64	55%	0.552	S	S	*	*	H	α-helix	trans	-64.6	-46	176	-107	-81.5	0	0	0	112.7	M298 L299 F304 V305 S306	M298-F302 PolarHBondContact O-N 3.23Å; L299-F302 CarbonylContact O-C 3.54Å; L299-F302 WeakPolarHBondContact O-CA 3.38Å; L299-F302 WeakPolarHBondContact O-CB 3.5Å; L299-F302 PolarHBondContact O-N 3.23Å; F302-F304 VanDerWaalsContact C-N 3.31Å; F302-F304 PolarHBondContact O-N 3.3Å; F302-V305 PolarHBondContact O-N 3.05Å; F302-S306 WeakPolarHBondContact O-CB 2.88Å; F302-S306 PolarHBondContact O-N 3.2Å
303	D	67.7	Low	71.6	Confident	103 Å²	103	116.8 Å²	116.8	55%	0.551	56%	0.564	S	S	*	*	H	α-helix	trans	-63.9	-37.2	176.1	-71.9	-24	0	0	0	111.6	L299 S306 S307	L299-D303 PolarHBondContact O-N 3.14Å; D303-S306 PolarHBondContact O-N 3.01Å; D303-S306 PolarHBondContact O-OG 3.45Å; D303-S307 VanDerWaalsContact O-CB 3.27Å; D303-S307 WeakPolarHBondContact O-CB 3.47Å; D303-S307 PolarHBondContact O-N 2.95Å
304	F	67.4	Low	70.4	Confident	125 Å²	125	118.1 Å²	118.1	55%	0.548	58%	0.579	S	S	.	*	H	α-helix	trans	-63.8	-45.9	174.1	-173.8	-98.4	0	0	0	111.4	K300 R301 F302 S307 M308	K300-F304 WeakPolarHBondContact O-CB 3.47Å; K300-F304 PolarHBondContact O-N 2.96Å; R301-F304 PolarHBondContact O-N 2.97Å; F302-F304 VanDerWaalsContact C-N 3.31Å; F302-F304 PolarHBondContact O-N 3.3Å; F304-S307 PolarHBondContact O-N 3.31Å; F304-S307 PolarHBondContact O-OG 2.05Å; F304-M308 HydrophobicContact CD1-SD 4.41Å; F304-M308 HydrophobicContact CE1-CE 3.59Å; F304-M308 HydrophobicContact CE1-CG 4.43Å; F304-M308 HydrophobicContact CE1-SD 3.8Å; F304-M308 HydrophobicContact CZ-CE 3.62Å; F304-M308 HydrophobicContact CZ-SD 4.37Å; F304-M308 PolarHBondContact O-N 3.21Å
305	V	66	Low	69	Low	91 Å²	91	121.7 Å²	121.7	55%	0.552	59%	0.593	S	S	*	*	H	α-helix	trans	-64.6	-40.9	176.2	172.2	0	0	0	0	111.7	R301 F302 M308 A309	R301-V305 WeakPolarHBondContact O-CB 3.44Å; R301-V305 VanDerWaalsContact O-CG2 3.22Å; R301-V305 WeakPolarHBondContact O-CG2 3.42Å; R301-V305 PolarHBondContact O-N 2.91Å; F302-V305 PolarHBondContact O-N 3.05Å; V305-M308 PolarHBondContact O-N 3.08Å; V305-A309 WeakPolarHBondContact O-CB 3.49Å; V305-A309 PolarHBondContact O-N 3.22Å
306	S	64.3	Low	67.4	Low	64 Å²	64	128.1 Å²	128.1	45%	0.448	62%	0.619	S	S	.	*	H	α-helix	trans	-68.4	-37.6	177.8	84.7	0	0	0	0	111.5	F302 D303 M308 A309 S310	F302-S306 WeakPolarHBondContact O-CB 2.88Å; F302-S306 PolarHBondContact O-N 3.2Å; D303-S306 PolarHBondContact O-N 3.01Å; D303-S306 PolarHBondContact O-OG 3.45Å; S306-M308 VanDerWaalsContact C-N 3.31Å; S306-M308 PolarHBondContact O-N 3.36Å; S306-A309 PolarHBondContact O-N 3.28Å; S306-S310 PolarHBondContact O-N 3.02Å; S306-S310 PolarHBondContact O-OG 3.3Å
307	S	69.9	Low	66.8	Low	45 Å²	45	127.1 Å²	127.1	32%	0.315	62%	0.618	S	S	.	*	H	α-helix	trans	-66.6	-32.4	173.9	86.6	0	0	0	0	112.5	D303 F304 S310 R311	D303-S307 VanDerWaalsContact O-CB 3.27Å; D303-S307 WeakPolarHBondContact O-CB 3.47Å; D303-S307 PolarHBondContact O-N 2.95Å; F304-S307 PolarHBondContact O-N 3.31Å; F304-S307 PolarHBondContact O-OG 2.05Å; S307-S310 WeakPolarHBondContact CA-OG 3.38Å; S307-S310 PolarHBondContact O-OG 3.48Å; S307-S310 VanDerWaalsContact O-OG 3.1Å; S307-R311 WeakPolarHBondContact O-CB 3.29Å; S307-R311 WeakPolarHBondContact O-CG 3.21Å; S307-R311 PolarHBondContact O-N 3.09Å; S307-R311 VanDerWaalsContact O-N 3.16Å
308	M	68.3	Low	66.2	Low	102 Å²	102	124.9 Å²	124.9	50%	0.502	62%	0.617	S	S	.	*	H	α-helix	trans	-70	-43.2	170.8	-84	-169.6	163.6	0	0	111	F304 V305 S306 S310 R311 I312	F304-M308 HydrophobicContact CD1-SD 4.41Å; F304-M308 HydrophobicContact CE1-CE 3.59Å; F304-M308 HydrophobicContact CE1-CG 4.43Å; F304-M308 HydrophobicContact CE1-SD 3.8Å; F304-M308 HydrophobicContact CZ-CE 3.62Å; F304-M308 HydrophobicContact CZ-SD 4.37Å; F304-M308 PolarHBondContact O-N 3.21Å; V305-M308 PolarHBondContact O-N 3.08Å; S306-M308 VanDerWaalsContact C-N 3.31Å; S306-M308 PolarHBondContact O-N 3.36Å; M308-S310 PolarHBondContact O-N 3.42Å; M308-R311 PolarHBondContact O-N 2.95Å; M308-I312 VanDerWaalsContact O-CG1 3.31Å; M308-I312 WeakPolarHBondContact O-CG1 3.31Å; M308-I312 PolarHBondContact O-N 2.88Å
309	A	65.8	Low	65.5	Low	49 Å²	49	125.8 Å²	125.8	41%	0.405	62%	0.621	S	S	.	*	H	α-helix	trans	-61.9	-42.8	178.1	0	0	0	0	0	112	V305 S306 I312 M313	V305-A309 WeakPolarHBondContact O-CB 3.49Å; V305-A309 PolarHBondContact O-N 3.22Å; S306-A309 PolarHBondContact O-N 3.28Å; A309-I312 PolarHBondContact O-N 3.23Å; A309-M313 PolarHBondContact O-N 2.87Å
310	S	66.4	Low	64.8	Low	71 Å²	71	126.9 Å²	126.9	50%	0.497	63%	0.625	S	S	.	*	H	α-helix	trans	-68.5	-36.5	177.5	60.9	0	0	0	0	112.7	S306 S307 M308 I312 M313 S314	S306-S310 PolarHBondContact O-N 3.02Å; S306-S310 PolarHBondContact O-OG 3.3Å; S307-S310 WeakPolarHBondContact CA-OG 3.38Å; S307-S310 PolarHBondContact O-OG 3.48Å; S307-S310 VanDerWaalsContact O-OG 3.1Å; M308-S310 PolarHBondContact O-N 3.42Å; S310-I312 VanDerWaalsContact C-N 3.3Å; S310-I312 PolarHBondContact O-N 3.26Å; S310-M313 PolarHBondContact O-N 3.27Å; S310-S314 WeakPolarHBondContact O-CB 3.33Å; S310-S314 PolarHBondContact O-N 3.34Å
311	R	61.8	Low	64.2	Low	195 Å²	195	125.1 Å²	125.1	74%	0.736	62%	0.621	S	S	*	*	H	α-helix	trans	-64.4	-32.8	171.9	-79.8	-177.4	-175	-168.7	2.3	113.3	S307 M308	S307-R311 WeakPolarHBondContact O-CB 3.29Å; S307-R311 WeakPolarHBondContact O-CG 3.21Å; S307-R311 PolarHBondContact O-N 3.09Å; S307-R311 VanDerWaalsContact O-N 3.16Å; M308-R311 PolarHBondContact O-N 2.95Å
312	I	68.7	Low	63.7	Low	129 Å²	129	121.6 Å²	121.6	66%	0.662	62%	0.618	S	S	*	*	H	α-helix	trans	-72	-40.2	175.2	-67.3	165	0	0	0	110.2	M308 A309 S310 K315	M308-I312 VanDerWaalsContact O-CG1 3.31Å; M308-I312 WeakPolarHBondContact O-CG1 3.31Å; M308-I312 PolarHBondContact O-N 2.88Å; A309-I312 PolarHBondContact O-N 3.23Å; S310-I312 VanDerWaalsContact C-N 3.3Å; S310-I312 PolarHBondContact O-N 3.26Å; I312-K315 PolarHBondContact O-N 2.89Å
313	M	59.9	Low	63.4	Low	156 Å²	156	119.9 Å²	119.9	77%	0.768	62%	0.617	S	S	*	*	H	α-helix	trans	-72.1	-30.3	179.1	-71.2	-165.9	168.6	0	0	113.9	A309 S310 K315	A309-M313 PolarHBondContact O-N 2.87Å; S310-M313 PolarHBondContact O-N 3.27Å; M313-K315 PolarHBondContact O-N 3.11Å
314	S	59.2	Low	63.1	Low	101 Å²	101	121.2 Å²	121.2	71%	0.706	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-5.9	175.7	176.8	0	0	0	0	114.2	S310	S310-S314 WeakPolarHBondContact O-CB 3.33Å; S310-S314 PolarHBondContact O-N 3.34Å
315	K	53.3	Low	62.7	Low	191 Å²	191	120.8 Å²	120.8	83%	0.83	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	15.7	-179.4	-98.5	-169.7	175.3	-171.5	0	114.1	I312 M313	I312-K315 PolarHBondContact O-N 2.89Å; M313-K315 PolarHBondContact O-N 3.11Å
316	K	49.2	Very low	62.4	Low	256 Å²	256	123.5 Å²	123.5	100%	1.113	64%	0.635	S	S	*	*			trans	-111.5	0	166.5	-88.2	-173	173.1	-175.1	0	109.9

Retrieved 316 of 316 residues in 1165.9 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).