Q99NX2_RAT Loading...

ATP7A

AlphaFold DB , UniProt , Accession Q99NX2, Species RAT (Rattus norvegicus, Rat), Gene Atp7a, Length 225 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	I	42.9	Very low	53.2	Low	211 Å²	211	134.7 Å²	134.7	100%	1.082	70%	0.695	S	S	*	*				0	102	0	-64	160.7	0	0	0	105.9	Y3	I1-Y3 PolarHBondContact O-N 2.83Å
2	V	34.8	Very low	54.9	Low	134 Å²	134	130.6 Å²	130.6	81%	0.812	67%	0.67	S	S	*	*			trans	-79	110.5	-178.9	177.9	0	0	0	0	106.8	Q4	V2-Q4 PolarHBondContact O-N 2.72Å
3	Y	32.2	Very low	56.6	Low	212 Å²	212	126.8 Å²	126.8	83%	0.831	65%	0.651	S	S	*	*			trans	-81.5	102.2	175.4	-134.2	-94.4	0	0	0	107.7	I1 P5	I1-Y3 PolarHBondContact O-N 2.83Å; Y3-P5 WeakPolarHBondContact O-CD 3.25Å
4	Q	42.6	Very low	58.4	Low	137 Å²	137	122 Å²	122	64%	0.64	62%	0.623	S	S	*	*			trans	-87.1	111.2	165.5	-86.4	179.7	-26.5	0	0	107.7	V2 H6	V2-Q4 PolarHBondContact O-N 2.72Å; Q4-H6 VanDerWaalsContact C-N 3.34Å; Q4-H6 PolarHBondContact O-N 3.21Å
5	P	44.8	Very low	59.7	Low	105 Å²	105	123 Å²	123	68%	0.682	62%	0.621	S	S	*	*			trans	-71	96.2	170.1	28.9	-30.9	0	0	0	107.7	Y3 L7	Y3-P5 WeakPolarHBondContact O-CD 3.25Å; P5-L7 PolarHBondContact O-N 3.3Å
6	H	53.2	Low	60.8	Low	162 Å²	162	122.8 Å²	122.8	75%	0.75	62%	0.617	S	S	*	*			trans	-64.9	102.9	167.7	-70.4	-75.7	0	0	0	107.6	Q4 I8	Q4-H6 VanDerWaalsContact C-N 3.34Å; Q4-H6 PolarHBondContact O-N 3.21Å; H6-I8 PolarHBondContact O-N 3.37Å
7	L	59.4	Low	62	Low	160 Å²	160	119.8 Å²	119.8	84%	0.838	60%	0.603	S	S	*	*			trans	-60.4	108.2	172.4	-73.7	161.5	0	0	0	108	P5 T9	P5-L7 PolarHBondContact O-N 3.3Å; L7-T9 PolarHBondContact O-N 3.15Å
8	I	64.6	Low	63.1	Low	124 Å²	124	117.9 Å²	117.9	64%	0.636	59%	0.592	S	S	*	*			trans	-65.6	119.3	175.1	-166.8	166.4	0	0	0	108.9	H6 E12 I13	H6-I8 PolarHBondContact O-N 3.37Å; I8-E12 HydrophobicContact CG1-CB 4.11Å; I8-E12 HydrophobicContact CG1-CG 4.34Å; I8-I13 HydrophobicContact CD1-CG1 4.02Å; I8-I13 HydrophobicContact CG1-CG1 4.02Å; I8-I13 HydrophobicContact CG2-CD1 4.45Å
9	T	70.3	Confident	63.9	Low	78 Å²	78	115.8 Å²	115.8	48%	0.479	59%	0.594	S	S	.	*			trans	-82.1	152.9	-179.6	57.9	0	0	0	0	110.4	L7 E11 E12 I13	L7-T9 PolarHBondContact O-N 3.15Å; T9-E11 PolarHBondContact O-N 2.98Å; T9-E11 VanDerWaalsContact O-N 3.11Å; T9-E12 PolarHBondContact O-N 3.29Å; T9-I13 PolarHBondContact O-N 3.04Å
10	A	67.8	Low	64.8	Low	43 Å²	43	115.2 Å²	115.2	36%	0.355	60%	0.596	S	S	.	*	H	α-helix	trans	-58.7	-25.1	177.3	0	0	0	0	0	112.8	K14 I26	A10-K14 PolarHBondContact O-N 3.24Å; A10-K14 VanDerWaalsContact O-N 3.1Å; A10-I26 HydrophobicContact CB-CD1 4.42Å
11	E	72.2	Confident	65.3	Low	116 Å²	116	112.7 Å²	112.7	54%	0.542	60%	0.599	S	S	.	*	H	α-helix	trans	-71.1	-37.6	174.2	-80.9	132.9	74.3	0	0	113.3	T9 I13 K14 K15	T9-E11 PolarHBondContact O-N 2.98Å; T9-E11 VanDerWaalsContact O-N 3.11Å; E11-I13 VanDerWaalsContact C-N 3.34Å; E11-K14 PolarHBondContact O-N 3.48Å; E11-K15 WeakPolarHBondContact O-CB 3.43Å; E11-K15 PolarHBondContact O-N 2.99Å
12	E	74.1	Confident	66.3	Low	85 Å²	85	109 Å²	109	40%	0.397	58%	0.575	S	S	.	*	H	α-helix	trans	-65.3	-41.3	174.8	-165.5	69.2	77.9	0	0	110.7	I8 T9 K14 K15 Q16	I8-E12 HydrophobicContact CG1-CB 4.11Å; I8-E12 HydrophobicContact CG1-CG 4.34Å; T9-E12 PolarHBondContact O-N 3.29Å; E12-K14 PolarHBondContact O-N 2.95Å; E12-K15 PolarHBondContact O-N 3.03Å; E12-Q16 PolarHBondContact O-N 3.3Å
13	I	77.5	Confident	67.9	Low	82 Å²	82	107.6 Å²	107.6	42%	0.421	57%	0.568	S	S	.	*	H	α-helix	trans	-61.8	-44.1	176.2	-59.5	172.2	0	0	0	110.5	I8 T9 E11 Q16 I17	I8-I13 HydrophobicContact CD1-CG1 4.02Å; I8-I13 HydrophobicContact CG1-CG1 4.02Å; I8-I13 HydrophobicContact CG2-CD1 4.45Å; T9-I13 PolarHBondContact O-N 3.04Å; E11-I13 VanDerWaalsContact C-N 3.34Å; I13-Q16 PolarHBondContact O-N 3.4Å; I13-I17 HydrophobicContact CG2-CD1 3.98Å; I13-I17 WeakPolarHBondContact O-CD1 3.32Å; I13-I17 VanDerWaalsContact O-CG1 3.26Å; I13-I17 WeakPolarHBondContact O-CG1 3.35Å; I13-I17 PolarHBondContact O-N 3.26Å
14	K	81.2	Confident	69.4	Low	59 Å²	59	98.3 Å²	98.3	26%	0.257	54%	0.535	S	S	.	.	H	α-helix	trans	-59.9	-48.4	176.5	-174.8	-171.2	178.4	-80.7	0	111.5	A10 E11 E12 Q16 I17 E18 A24 I26	A10-K14 PolarHBondContact O-N 3.24Å; A10-K14 VanDerWaalsContact O-N 3.1Å; E11-K14 PolarHBondContact O-N 3.48Å; E12-K14 PolarHBondContact O-N 2.95Å; K14-Q16 VanDerWaalsContact C-N 3.29Å; K14-Q16 PolarHBondContact O-N 3.23Å; K14-I17 PolarHBondContact O-N 3.35Å; K14-I17 VanDerWaalsContact O-N 3.15Å; K14-E18 IonicContact NZ-OE1 2.83Å; K14-E18 PolarHBondContact NZ-OE1 3.11Å; K14-E18 IonicContact NZ-OE2 2.72Å; K14-E18 PolarHBondContact NZ-OE2 3.1Å; K14-E18 PolarHBondContact O-N 2.99Å; K14-A24 VanDerWaalsContact CE-O 3.25Å; K14-A24 WeakPolarHBondContact CE-O 3.41Å; K14-A24 HydrophobicContact CG-CB 4.33Å; K14-I26 HydrophobicContact CB-CD1 4.39Å; K14-I26 HydrophobicContact CD-CD1 4.07Å; K14-I26 HydrophobicContact CD-CG1 4.3Å
15	K	78.5	Confident	70.8	Confident	137 Å²	137	99.8 Å²	99.8	60%	0.596	54%	0.54	S	S	*	.	H	α-helix	trans	-61.4	-37.8	-178.7	-172	-178.6	176.7	-169.6	0	112	E11 E12 A19	E11-K15 WeakPolarHBondContact O-CB 3.43Å; E11-K15 PolarHBondContact O-N 2.99Å; E12-K15 PolarHBondContact O-N 3.03Å; K15-A19 WeakPolarHBondContact O-CB 3.4Å; K15-A19 PolarHBondContact O-N 3Å
16	Q	77.2	Confident	72.2	Confident	120 Å²	120	98.2 Å²	98.2	56%	0.561	53%	0.525	S	S	*	.	H	α-helix	trans	-66.7	-38.1	176.7	-148	76.3	63.5	0	0	112.1	E12 I13 K14 A19 V20	E12-Q16 PolarHBondContact O-N 3.3Å; I13-Q16 PolarHBondContact O-N 3.4Å; K14-Q16 VanDerWaalsContact C-N 3.29Å; K14-Q16 PolarHBondContact O-N 3.23Å; Q16-A19 PolarHBondContact O-N 3.48Å; Q16-V20 WeakPolarHBondContact O-CG2 3.26Å; Q16-V20 PolarHBondContact O-N 2.99Å
17	I	80.2	Confident	72.6	Confident	72 Å²	72	100.3 Å²	100.3	37%	0.369	53%	0.532	S	S	.	.	H	α-helix	trans	-70.8	-39.9	179.3	-60.9	161.4	0	0	0	110.9	I13 K14 V20 F22 A24	I13-I17 HydrophobicContact CG2-CD1 3.98Å; I13-I17 WeakPolarHBondContact O-CD1 3.32Å; I13-I17 VanDerWaalsContact O-CG1 3.26Å; I13-I17 WeakPolarHBondContact O-CG1 3.35Å; I13-I17 PolarHBondContact O-N 3.26Å; K14-I17 PolarHBondContact O-N 3.35Å; K14-I17 VanDerWaalsContact O-N 3.15Å; I17-V20 PolarHBondContact O-N 3.45Å; I17-F22 CarbonylContact C-O 3.45Å; I17-F22 HydrophobicContact CG2-CB 3.82Å; I17-F22 PolarHBondContact O-N 2.9Å; I17-A24 HydrophobicContact CB-CB 3.96Å; I17-A24 HydrophobicContact CD1-CB 4.29Å; I17-A24 HydrophobicContact CG2-CB 3.72Å
18	E	82.1	Confident	72.4	Confident	86 Å²	86	101.8 Å²	101.8	40%	0.402	53%	0.532	S	S	.	.	H	α-helix	trans	-67.1	-36	175.4	-71.3	174.3	125.1	0	0	112.1	K14 V20 G21 F22	K14-E18 IonicContact NZ-OE1 2.83Å; K14-E18 PolarHBondContact NZ-OE1 3.11Å; K14-E18 IonicContact NZ-OE2 2.72Å; K14-E18 PolarHBondContact NZ-OE2 3.1Å; K14-E18 PolarHBondContact O-N 2.99Å; E18-V20 PolarHBondContact O-N 3.22Å; E18-G21 PolarHBondContact O-N 3.38Å; E18-F22 WeakPolarHBondContact CA-O 3.36Å
19	A	78.1	Confident	71.9	Confident	78 Å²	78	100.9 Å²	100.9	65%	0.645	53%	0.525	S	S	*	.	H	α-helix	trans	-64.2	-24.8	175.4	0	0	0	0	0	113.2	K15 Q16 G21	K15-A19 WeakPolarHBondContact O-CB 3.4Å; K15-A19 PolarHBondContact O-N 3Å; Q16-A19 PolarHBondContact O-N 3.48Å; A19-G21 VanDerWaalsContact C-N 3.26Å
20	V	82	Confident	70.9	Confident	102 Å²	102	102 Å²	102	62%	0.618	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	5.8	175.7	-174.7	0	0	0	0	111.4	Q16 I17 E18 F22	Q16-V20 WeakPolarHBondContact O-CG2 3.26Å; Q16-V20 PolarHBondContact O-N 2.99Å; I17-V20 PolarHBondContact O-N 3.45Å; E18-V20 PolarHBondContact O-N 3.22Å; V20-F22 HydrophobicContact CB-CD2 4.31Å; V20-F22 HydrophobicContact CG1-CD2 4Å; V20-F22 HydrophobicContact CG1-CE2 3.96Å
21	G	76.3	Confident	70	Confident	64 Å²	64	109.6 Å²	109.6	66%	0.66	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.1	9.8	173.7	0	0	0	0	0	114.7	E18 A19	E18-G21 PolarHBondContact O-N 3.38Å; A19-G21 VanDerWaalsContact C-N 3.26Å
22	F	64.3	Low	68.9	Low	134 Å²	134	111.2 Å²	111.2	59%	0.588	56%	0.56	S	S	*	*			trans	-103.2	120.8	177.6	-65.7	-80.2	0	0	0	110.6	I17 E18 V20 A24	I17-F22 CarbonylContact C-O 3.45Å; I17-F22 HydrophobicContact CG2-CB 3.82Å; I17-F22 PolarHBondContact O-N 2.9Å; E18-F22 WeakPolarHBondContact CA-O 3.36Å; V20-F22 HydrophobicContact CB-CD2 4.31Å; V20-F22 HydrophobicContact CG1-CD2 4Å; V20-F22 HydrophobicContact CG1-CE2 3.96Å; F22-A24 PolarHBondContact O-N 3.25Å
23	P	68.1	Low	67.3	Low	103 Å²	103	114.8 Å²	114.8	67%	0.669	58%	0.582	S	S	*	*			trans	-69.6	117.1	177.3	26.7	-32	0	0	0	110.4	F25	P23-F25 HydrophobicContact CB-CE2 4.18Å
24	A	63.3	Low	65.8	Low	17 Å²	17	119.1 Å²	119.1	14%	0.14	60%	0.597	C	S	.	*			trans	-113	138	-179.4	0	0	0	0	0	112.2	K14 I17 F22	K14-A24 VanDerWaalsContact CE-O 3.25Å; K14-A24 WeakPolarHBondContact CE-O 3.41Å; K14-A24 HydrophobicContact CG-CB 4.33Å; I17-A24 HydrophobicContact CB-CB 3.96Å; I17-A24 HydrophobicContact CD1-CB 4.29Å; I17-A24 HydrophobicContact CG2-CB 3.72Å; F22-A24 PolarHBondContact O-N 3.25Å
25	F	72.5	Confident	64.2	Low	169 Å²	169	124.4 Å²	124.4	74%	0.741	63%	0.628	S	S	*	*			trans	-129.3	130.9	178.5	-56.1	-86.4	0	0	0	110.7	P23 K27	P23-F25 HydrophobicContact CB-CE2 4.18Å; F25-K27 PolarHBondContact O-N 3.18Å
26	I	73.5	Confident	62.3	Low	72 Å²	72	120.8 Å²	120.8	37%	0.369	63%	0.629	S	S	.	*			trans	-80.1	103.3	178.2	-59.6	167.8	0	0	0	108.2	A10 K14 Q29	A10-I26 HydrophobicContact CB-CD1 4.42Å; K14-I26 HydrophobicContact CB-CD1 4.39Å; K14-I26 HydrophobicContact CD-CD1 4.07Å; K14-I26 HydrophobicContact CD-CG1 4.3Å; I26-Q29 HydrophobicContact CG2-CB 4.47Å
27	K	62.6	Low	61	Low	205 Å²	205	119.9 Å²	119.9	89%	0.891	64%	0.642	S	S	*	*	S	Bend	trans	-75.1	-25.9	-178.2	-78.6	-172.6	173.1	179.5	0	114.5	F25	F25-K27 PolarHBondContact O-N 3.18Å
28	K	53.6	Low	59.4	Low	192 Å²	192	124.2 Å²	124.2	84%	0.835	66%	0.664	S	S	*	*			trans	-143.7	111.4	173.3	-84.4	-175	177.6	177.4	0	108.7	P30	K28-P30 WeakPolarHBondContact O-CD 3.48Å
29	Q	54.3	Low	57.5	Low	105 Å²	105	126.3 Å²	126.3	49%	0.491	68%	0.678	S	S	.	*			trans	-77.4	121.3	168.6	-144.7	174.8	10.1	0	0	107	I26 K31	I26-Q29 HydrophobicContact CG2-CB 4.47Å; Q29-K31 PolarHBondContact O-N 3.02Å; Q29-K31 VanDerWaalsContact O-N 3.11Å
30	P	48.8	Very low	56	Low	100 Å²	100	127.9 Å²	127.9	65%	0.649	68%	0.68	S	S	*	*			trans	-59.2	120.5	168.1	23.4	-29.3	0	0	0	107	K28 Y32	K28-P30 WeakPolarHBondContact O-CD 3.48Å; P30-Y32 VanDerWaalsContact C-N 3.3Å; P30-Y32 PolarHBondContact O-N 2.82Å
31	K	50.8	Low	54.4	Low	203 Å²	203	129.3 Å²	129.3	88%	0.883	68%	0.679	S	S	*	*			trans	-63.7	97	175.2	-73.4	-179.5	-179.6	178.4	0	106.9	Q29 L33	Q29-K31 PolarHBondContact O-N 3.02Å; Q29-K31 VanDerWaalsContact O-N 3.11Å; K31-L33 PolarHBondContact O-N 2.9Å
32	Y	47.4	Very low	52.7	Low	150 Å²	150	137.7 Å²	137.7	59%	0.588	69%	0.691	S	S	*	*			trans	-59.9	124.5	165	44.5	-89.2	0	0	0	106.7	P30 K34	P30-Y32 VanDerWaalsContact C-N 3.3Å; P30-Y32 PolarHBondContact O-N 2.82Å; Y32-K34 HydrophobicContact CD2-CG 4.24Å; Y32-K34 HydrophobicContact CE2-CG 4.18Å; Y32-K34 PolarHBondContact O-N 3.25Å
33	L	40.9	Very low	51.7	Low	161 Å²	161	138.5 Å²	138.5	84%	0.843	70%	0.701	S	S	*	*			trans	-60.4	104.3	174.1	-69	168.5	0	0	0	106.5	K31 L35	K31-L33 PolarHBondContact O-N 2.9Å; L33-L35 PolarHBondContact O-N 2.83Å
34	K	46.4	Very low	50.8	Low	173 Å²	173	140.6 Å²	140.6	75%	0.752	70%	0.7	S	S	*	*			trans	-62.7	109.1	165.3	-73.9	-164.9	176.7	-174.8	0	105.7	Y32 G36	Y32-K34 HydrophobicContact CD2-CG 4.24Å; Y32-K34 HydrophobicContact CE2-CG 4.18Å; Y32-K34 PolarHBondContact O-N 3.25Å; K34-G36 PolarHBondContact O-N 3.11Å
35	L	46.9	Very low	49.7	Very low	170 Å²	170	145.2 Å²	145.2	89%	0.89	73%	0.731	S	S	*	*			trans	-61.7	92.9	158.3	-89.7	80.9	0	0	0	105.6	L33	L33-L35 PolarHBondContact O-N 2.83Å
36	G	39.8	Very low	48.2	Very low	60 Å²	60	143.4 Å²	143.4	62%	0.619	73%	0.734	S	S	*	*			trans	-58	143.5	165.4	0	0	0	0	0	108.3	K34 I38	K34-G36 PolarHBondContact O-N 3.11Å; G36-I38 PolarHBondContact O-N 3.25Å
37	A	49.3	Very low	46.8	Very low	102 Å²	102	145.8 Å²	145.8	84%	0.843	75%	0.754	S	S	*	*			trans	-43.9	125.8	174.9	0	0	0	0	0	109.6	D39	A37-D39 PolarHBondContact O-N 3.03Å
38	I	46.5	Very low	46	Very low	162 Å²	162	142.2 Å²	142.2	83%	0.831	75%	0.749	S	S	*	*			trans	-59.9	99.4	176.3	-14.2	169.5	0	0	0	106.4	G36 V40	G36-I38 PolarHBondContact O-N 3.25Å; I38-V40 PolarHBondContact O-N 2.98Å
39	D	41.5	Very low	45	Very low	130 Å²	130	142.9 Å²	142.9	70%	0.695	75%	0.752	S	S	*	*			trans	-73.2	110.8	170.1	-167.2	-91.7	0	0	0	107.1	A37 E41	A37-D39 PolarHBondContact O-N 3.03Å; D39-E41 PolarHBondContact O-N 3.37Å; D39-E41 WeakPolarHBondContact OD1-CB 3.35Å; D39-E41 PolarHBondContact OD1-N 2.94Å
40	V	47.6	Very low	44.5	Very low	112 Å²	112	143.3 Å²	143.3	68%	0.679	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-72.2	6.9	-169.1	-154.2	0	0	0	0	111.8	I38 L43	I38-V40 PolarHBondContact O-N 2.98Å; V40-L43 HydrophobicContact CG1-CD1 3.98Å
41	E	47.7	Very low	44	Very low	131 Å²	131	144 Å²	144	61%	0.612	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-93.7	4.5	-166.6	-127.7	-171.8	120.4	0	0	116.7	D39 K44	D39-E41 PolarHBondContact O-N 3.37Å; D39-E41 WeakPolarHBondContact OD1-CB 3.35Å; D39-E41 PolarHBondContact OD1-N 2.94Å; E41-K44 IonicContact OE1-NZ 2.81Å; E41-K44 PolarHBondContact OE1-NZ 3.3Å
42	R	40.4	Very low	43.2	Very low	241 Å²	241	144.1 Å²	144.1	91%	0.909	78%	0.777	S	S	*	*	G	3₁₀ helix	trans	-101.1	10	175.4	-136.2	176.6	167	105.9	0.1	115.2	K44	R42-K44 PolarHBondContact O-N 3.36Å
43	L	44.5	Very low	42.5	Very low	150 Å²	150	140.1 Å²	140.1	79%	0.785	78%	0.781	S	S	*	*			trans	-80.9	12.8	-179.8	-95	160.3	0	0	0	116.1	V40	V40-L43 HydrophobicContact CG1-CD1 3.98Å
44	K	49	Very low	42	Very low	148 Å²	148	137.3 Å²	137.3	64%	0.643	78%	0.776	S	S	*	*	S	Bend	trans	-125.5	25.3	-166.9	49.5	-172.5	174.2	-173.4	0	118.2	E41 R42	E41-K44 IonicContact OE1-NZ 2.81Å; E41-K44 PolarHBondContact OE1-NZ 3.3Å; R42-K44 PolarHBondContact O-N 3.36Å
45	S	39.9	Very low	41.6	Very low	114 Å²	114	138.2 Å²	138.2	80%	0.797	78%	0.783	S	S	*	*			trans	-154.8	98.1	167.8	39	0	0	0	0	114.5
46	T	41.5	Very low	41.1	Very low	131 Å²	131	138 Å²	138	80%	0.804	78%	0.777	S	S	*	*			trans	-60.6	168.9	159.4	38.7	0	0	0	0	111.9
47	P	43.4	Very low	41	Very low	121 Å²	121	145 Å²	145	79%	0.786	79%	0.79	S	S	*	*			cis	-139	161	26.8	37.5	-15.7	0	0	0	119.1
48	V	45.1	Very low	40.4	Very low	130 Å²	130	143.4 Å²	143.4	79%	0.788	77%	0.773	S	S	*	*			trans	-25.5	127.8	161	-169.6	0	0	0	0	115.8
49	K	32.5	Very low	40.1	Very low	207 Å²	207	139.9 Å²	139.9	90%	0.9	76%	0.76	S	S	*	*			trans	-150.1	124.8	136.4	-155.2	167.5	-176.3	178.3	0	110.5
50	S	45.1	Very low	39.8	Very low	113 Å²	113	138.7 Å²	138.7	79%	0.79	77%	0.769	S	S	*	*			trans	-56.3	133.7	-174.8	-39.9	0	0	0	0	113.4
51	S	36.8	Very low	39.4	Very low	116 Å²	116	141.5 Å²	141.5	81%	0.811	77%	0.769	S	S	*	*			trans	-163.8	110.1	141.5	-171.5	0	0	0	0	107.1	G53	S51-G53 PolarHBondContact O-N 3.1Å
52	E	35.8	Very low	39.8	Very low	204 Å²	204	142.1 Å²	142.1	95%	0.953	78%	0.784	S	S	*	*			trans	-57.6	120.2	172.4	-77.4	169.9	71.5	0	0	109.7
53	G	31.3	Very low	41	Very low	66 Å²	66	132.9 Å²	132.9	68%	0.68	76%	0.757	S	S	*	*			trans	-162.3	59.6	-179.9	0	0	0	0	0	108	S51 Q55	S51-G53 PolarHBondContact O-N 3.1Å; G53-Q55 PolarHBondContact O-N 3.44Å
54	S	30.8	Very low	42.4	Very low	103 Å²	103	128.7 Å²	128.7	72%	0.72	74%	0.735	S	S	*	*			trans	-76	78.6	176.9	-156.6	0	0	0	0	109.1	Q56	S54-Q56 PolarHBondContact O-N 3.02Å
55	Q	38.1	Very low	44	Very low	192 Å²	192	123.7 Å²	123.7	90%	0.897	72%	0.719	S	S	*	*			trans	-70.6	84.3	159	-83.6	175.5	6.7	0	0	108.1	G53 K57	G53-Q55 PolarHBondContact O-N 3.44Å; Q55-K57 VanDerWaalsContact C-N 3.3Å; Q55-K57 PolarHBondContact O-N 3.38Å; Q55-K57 VanDerWaalsContact O-N 3.1Å
56	Q	37.3	Very low	46.2	Very low	166 Å²	166	121.5 Å²	121.5	78%	0.776	71%	0.708	S	S	*	*			trans	-81.4	86.3	164.7	-81.5	-179.7	-57.9	0	0	109.5	S54 S58	S54-Q56 PolarHBondContact O-N 3.02Å; Q56-S58 PolarHBondContact O-N 3.02Å
57	K	35.9	Very low	48.2	Very low	206 Å²	206	115.9 Å²	115.9	90%	0.896	67%	0.672	S	S	*	*			trans	-50.5	101.7	162.9	-175.3	174.7	-172.6	177.6	0	109.6	Q55	Q55-K57 VanDerWaalsContact C-N 3.3Å; Q55-K57 PolarHBondContact O-N 3.38Å; Q55-K57 VanDerWaalsContact O-N 3.1Å
58	S	36.9	Very low	50.3	Low	69 Å²	69	111.8 Å²	111.8	48%	0.483	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-85.9	142.6	168.9	-5.4	0	0	0	0	109.4	Q56 A60 K108	Q56-S58 PolarHBondContact O-N 3.02Å; S58-A60 PolarHBondContact O-N 3.27Å; S58-K108 PolarHBondContact OG-NZ 2.9Å
59	P	40.5	Very low	52.4	Low	87 Å²	87	105.6 Å²	105.6	57%	0.565	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-66.6	128	173.4	24.7	-28.8	0	0	0	110.2	Y61	P59-Y61 HydrophobicContact CB-CE2 4.11Å; P59-Y61 HydrophobicContact CG-CE2 3.71Å; P59-Y61 WeakPolarHBondContact O-CD2 3.49Å; P59-Y61 WeakPolarHBondContact O-CE2 3.32Å; P59-Y61 PolarHBondContact O-N 3.01Å
60	A	34.7	Very low	55	Low	106 Å²	106	98 Å²	98	88%	0.876	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-71.1	116.9	176.1	0	0	0	0	0	110.3	S58	S58-A60 PolarHBondContact O-N 3.27Å
61	Y	39.5	Very low	57	Low	170 Å²	170	92.8 Å²	92.8	67%	0.667	54%	0.542	S	S	*	.			trans	-111.3	146.5	163.9	-51.2	-82.3	0	0	0	108	P59 S63	P59-Y61 HydrophobicContact CB-CE2 4.11Å; P59-Y61 HydrophobicContact CG-CE2 3.71Å; P59-Y61 WeakPolarHBondContact O-CD2 3.49Å; P59-Y61 WeakPolarHBondContact O-CE2 3.32Å; P59-Y61 PolarHBondContact O-N 3.01Å; Y61-S63 VanDerWaalsContact C-N 3.3Å; Y61-S63 PolarHBondContact O-N 3.17Å
62	P	57.3	Low	59.1	Low	144 Å²	144	90.6 Å²	90.6	94%	0.935	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	19.3	-157.3	31.9	-36.4	0	0	0	116.9
63	S	64.6	Low	61.1	Low	48 Å²	48	82.6 Å²	82.6	34%	0.336	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.2	15.7	177.7	-150.6	0	0	0	0	114.9	Y61 S65 A111 S112	Y61-S63 VanDerWaalsContact C-N 3.3Å; Y61-S63 PolarHBondContact O-N 3.17Å; S63-S65 PolarHBondContact O-N 3.42Å; S63-A111 PolarHBondContact O-N 3.33Å; S63-S112 PolarHBondContact OG-OG 2.64Å
64	D	73.8	Confident	63.4	Low	61 Å²	61	80 Å²	80	33%	0.326	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	115.1	173.5	-166.5	-103.4	0	0	0	108.5	S94 K108	D64-S94 WeakPolarHBondContact OD2-CB 3.48Å; D64-S94 PolarHBondContact OD2-OG 2.79Å; D64-K108 WeakPolarHBondContact OD1-CB 3.37Å; D64-K108 WeakPolarHBondContact OD1-CD 3.46Å; D64-K108 WeakPolarHBondContact OD1-CG 3.42Å
65	S	83.7	Confident	65.6	Low	44 Å²	44	82.7 Å²	82.7	31%	0.308	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	136.2	176.2	-64.1	0	0	0	0	108.9	S63 K108 Y109 A111	S63-S65 PolarHBondContact O-N 3.42Å; S65-K108 WeakPolarHBondContact O-CA 3.39Å; S65-Y109 PolarHBondContact N-O 3.16Å; S65-Y109 WeakPolarHBondContact O-CD1 3.06Å; S65-Y109 PolarHBondContact O-N 2.88Å; S65-A111 WeakPolarHBondContact OG-CB 3.12Å
66	A	84.6	Confident	67.5	Low	68 Å²	68	76.9 Å²	76.9	56%	0.562	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	136.7	172.8	0	0	0	0	0	109.3	V107 K108	A66-V107 CarbonylContact C-O 3.59Å; A66-V107 WeakPolarHBondContact CA-O 3.38Å; A66-K108 HydrophobicContact CB-CG 4.13Å
67	I	84.4	Confident	69.3	Low	13 Å²	13	77 Å²	77	7%	0.067	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.7	174	-167.7	164.5	0	0	0	110.5	F69 I106 V107 Y109 P116 I135	I67-F69 HydrophobicContact CD1-CE1 4.46Å; I67-F69 HydrophobicContact CD1-CZ 4.31Å; I67-F69 HydrophobicContact CG1-CZ 4.49Å; I67-F69 HydrophobicContact CG2-CD2 4.14Å; I67-F69 HydrophobicContact CG2-CE2 3.35Å; I67-F69 HydrophobicContact CG2-CZ 3.6Å; I67-I106 WeakPolarHBondContact O-CA 3.19Å; I67-V107 HydrophobicContact CG2-CB 4.36Å; I67-V107 PolarHBondContact N-O 3.2Å; I67-V107 PolarHBondContact O-N 3.25Å; I67-Y109 HydrophobicContact CB-CE1 3.76Å; I67-Y109 HydrophobicContact CG2-CD1 3.81Å; I67-Y109 HydrophobicContact CG2-CE1 3.37Å; I67-P116 HydrophobicContact CD1-CB 3.35Å; I67-P116 HydrophobicContact CD1-CG 4.29Å; I67-I135 HydrophobicContact CD1-CG1 4.48Å; I67-I135 HydrophobicContact CD1-CG2 3.58Å; I67-I135 HydrophobicContact CG1-CG2 4.08Å
68	T	87.3	Confident	71.5	Confident	35 Å²	35	71.6 Å²	71.6	22%	0.215	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	128.3	175.9	-54.8	0	0	0	0	109.1	A105 I106 S136	T68-A105 CarbonylContact C-O 3.55Å; T68-A105 WeakPolarHBondContact CA-O 3.26Å; T68-I106 HydrophobicContact CG2-CG1 4.24Å; T68-S136 WeakPolarHBondContact CB-O 3.49Å; T68-S136 CarbonylContact O-C 3.48Å; T68-S136 WeakPolarHBondContact O-CA 3.32Å; T68-S136 PolarHBondContact O-N 3.46Å; T68-S136 VanDerWaalsContact O-O 3.05Å
69	F	89	Confident	73.5	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.3	173.1	-64.4	-78.1	0	0	0	109.5	I67 I71 S104 A105 V107 L119 R120 I123 V133 S134 I135	I67-F69 HydrophobicContact CD1-CE1 4.46Å; I67-F69 HydrophobicContact CD1-CZ 4.31Å; I67-F69 HydrophobicContact CG1-CZ 4.49Å; I67-F69 HydrophobicContact CG2-CD2 4.14Å; I67-F69 HydrophobicContact CG2-CE2 3.35Å; I67-F69 HydrophobicContact CG2-CZ 3.6Å; F69-I71 HydrophobicContact CB-CG1 4.34Å; F69-S104 CarbonylContact O-C 3.38Å; F69-S104 WeakPolarHBondContact O-CA 3.25Å; F69-A105 PolarHBondContact N-O 3.07Å; F69-A105 PolarHBondContact O-N 3.02Å; F69-V107 HydrophobicContact CD2-CB 4.46Å; F69-V107 HydrophobicContact CD2-CG2 3.83Å; F69-V107 HydrophobicContact CE2-CB 4.11Å; F69-V107 HydrophobicContact CE2-CG2 3.85Å; F69-L119 HydrophobicContact CE2-CB 4.1Å; F69-L119 HydrophobicContact CZ-CB 3.67Å; F69-R120 HydrophobicContact CE1-CB 3.97Å; F69-I123 HydrophobicContact CB-CD1 4.26Å; F69-I123 HydrophobicContact CD1-CD1 4.37Å; F69-I123 HydrophobicContact CD2-CD1 3.71Å; F69-I123 HydrophobicContact CE2-CD1 4.06Å; F69-I123 HydrophobicContact CG-CD1 3.87Å; F69-V133 HydrophobicContact CB-CG1 3.8Å; F69-V133 HydrophobicContact CD1-CG1 3.68Å; F69-V133 HydrophobicContact CG-CG1 4Å; F69-S134 CarbonylContact C-O 3.49Å; F69-S134 VanDerWaalsContact CA-O 3.28Å; F69-S134 WeakPolarHBondContact CA-O 3.24Å; F69-I135 HydrophobicContact CD1-CG1 3.88Å; F69-I135 HydrophobicContact CE1-CD1 4.46Å; F69-I135 HydrophobicContact CE1-CG1 3.61Å
70	T	87.2	Confident	75.6	Confident	48 Å²	48	66.1 Å²	66.1	29%	0.294	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125.1	165.3	27.6	0	0	0	0	108.7	V133 S134 S136	T70-V133 CarbonylContact O-C 3.44Å; T70-V133 WeakPolarHBondContact O-CA 3.21Å; T70-S134 PolarHBondContact N-O 2.95Å; T70-S134 PolarHBondContact O-N 2.93Å; T70-S134 WeakPolarHBondContact OG1-CB 3.45Å; T70-S134 PolarHBondContact OG1-O 3.48Å; T70-S136 WeakPolarHBondContact CG2-OG 3.44Å; T70-S136 PolarHBondContact OG1-OG 2.92Å
71	I	87.2	Confident	78	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.015	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	112.3	-173.7	-56.5	172.8	0	0	0	108.6	F69 M74 I83 R103 A105 I123 Y131 V133	F69-I71 HydrophobicContact CB-CG1 4.34Å; I71-M74 HydrophobicContact CB-CG 4.43Å; I71-M74 HydrophobicContact CB-SD 3.61Å; I71-M74 HydrophobicContact CD1-SD 4.41Å; I71-M74 HydrophobicContact CG2-CB 4.4Å; I71-M74 HydrophobicContact CG2-CG 4.34Å; I71-M74 HydrophobicContact CG2-SD 3.98Å; I71-M74 WeakPolarHBondContact O-CG 3.48Å; I71-I83 HydrophobicContact CD1-CD1 4.36Å; I71-I83 HydrophobicContact CD1-CG2 4.4Å; I71-I83 HydrophobicContact CG2-CD1 4.4Å; I71-R103 PolarHBondContact N-O 2.91Å; I71-A105 HydrophobicContact CD1-CB 3.51Å; I71-A105 HydrophobicContact CG1-CB 4.45Å; I71-I123 HydrophobicContact CD1-CG2 3.93Å; I71-I123 HydrophobicContact CG1-CG2 4.37Å; I71-Y131 HydrophobicContact CG2-CD1 4.4Å; I71-Y131 HydrophobicContact CG2-CG 4.41Å; I71-V133 HydrophobicContact CG1-CG1 4.34Å; I71-V133 HydrophobicContact CG1-CG2 4.35Å
72	D	81.4	Confident	80.2	Confident	70 Å²	70	59.2 Å²	59.2	37%	0.374	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	135.3	173.6	-165.5	-127.5	0	0	0	110	Y131 R132	D72-Y131 WeakPolarHBondContact O-CA 3.46Å; D72-R132 HydrophobicContact CB-CB 4.14Å; D72-R132 VanDerWaalsContact CG-NH2 3.29Å; D72-R132 PolarHBondContact N-O 3.09Å; D72-R132 PolarHBondContact O-N 3.47Å; D72-R132 IonicContact OD1-CZ 2.74Å; D72-R132 IonicContact OD1-NH1 3.76Å; D72-R132 PolarHBondContact OD1-NH1 3.06Å; D72-R132 IonicContact OD1-NH2 3.71Å; D72-R132 PolarHBondContact OD1-NH2 3.19Å; D72-R132 IonicContact OD2-NH2 3.44Å
73	G	78.3	Confident	81.5	Confident	35 Å²	35	52.3 Å²	52.3	36%	0.361	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.1	-3	-177.7	0	0	0	0	0	115.7	H75	G73-H75 PolarHBondContact O-N 2.97Å; G73-H75 VanDerWaalsContact O-N 3.07Å
74	M	78.9	Confident	82.6	Confident	13 Å²	13	54 Å²	54	6%	0.064	32%	0.316	C	S	.	.			trans	-76.3	90.9	172	58.8	-168.3	-91.2	0	0	111.3	I71 V80 V98 S99 L100	I71-M74 HydrophobicContact CB-CG 4.43Å; I71-M74 HydrophobicContact CB-SD 3.61Å; I71-M74 HydrophobicContact CD1-SD 4.41Å; I71-M74 HydrophobicContact CG2-CB 4.4Å; I71-M74 HydrophobicContact CG2-CG 4.34Å; I71-M74 HydrophobicContact CG2-SD 3.98Å; I71-M74 WeakPolarHBondContact O-CG 3.48Å; M74-V80 HydrophobicContact CE-CG2 3.97Å; M74-V98 HydrophobicContact CE-CG1 3.67Å; M74-V98 HydrophobicContact SD-CG1 4.45Å; M74-S99 WeakPolarHBondContact CE-O 3.44Å; M74-L100 HydrophobicContact CB-CD2 4.28Å; M74-L100 HydrophobicContact CE-CD2 3.79Å; M74-L100 HydrophobicContact CE-CG 4.25Å; M74-L100 HydrophobicContact CG-CD2 4.36Å
75	H	77.1	Confident	83.1	Confident	158 Å²	158	54.5 Å²	54.5	73%	0.731	32%	0.324	S	S	*	.			trans	-102.8	-11.1	-177.1	-90.5	-81.3	0	0	0	115	G73	G73-H75 PolarHBondContact O-N 2.97Å; G73-H75 VanDerWaalsContact O-N 3.07Å
76	C	77.3	Confident	83.2	Confident	70 Å²	70	54 Å²	54	47%	0.473	32%	0.323	S	S	.	.	S	Bend	trans	-135.5	151.2	-173.4	-70.8	0	0	0	0	112.3	S78 C79 V80	C76-S78 PolarHBondContact O-N 2.93Å; C76-C79 VanDerWaalsContact O-CB 3.3Å; C76-C79 WeakPolarHBondContact O-CB 3.36Å; C76-C79 PolarHBondContact O-N 2.84Å; C76-V80 PolarHBondContact O-N 2.86Å
77	K	75.9	Confident	83.2	Confident	168 Å²	168	50.9 Å²	50.9	73%	0.73	30%	0.297	S	S	*	.	H	α-helix	trans	-55.5	-35.5	172.2	-69	-174.8	176.8	-177.3	0	112.4	C79 V80 S81 L100	K77-C79 VanDerWaalsContact C-N 3.3Å; K77-C79 PolarHBondContact O-N 2.77Å; K77-V80 PolarHBondContact O-N 2.9Å; K77-S81 PolarHBondContact O-N 3.45Å; K77-S81 VanDerWaalsContact O-N 3.12Å; K77-S81 PolarHBondContact O-OG 3.09Å; K77-L100 HydrophobicContact CB-CD1 4.43Å; K77-L100 HydrophobicContact CG-CD1 3.77Å
78	S	81.3	Confident	83.2	Confident	94 Å²	94	54.1 Å²	54.1	66%	0.657	32%	0.321	S	S	*	.	H	α-helix	trans	-62.5	-34.3	175.1	-44.1	0	0	0	0	113	C76 V80 N82	C76-S78 PolarHBondContact O-N 2.93Å; S78-V80 VanDerWaalsContact C-N 3.35Å; S78-N82 VanDerWaalsContact O-CB 3.3Å; S78-N82 WeakPolarHBondContact O-CB 3.33Å; S78-N82 PolarHBondContact O-N 2.86Å; S78-N82 VanDerWaalsContact O-N 3.09Å
79	C	80	Confident	83.1	Confident	25 Å²	25	57.9 Å²	57.9	17%	0.169	34%	0.344	C	S	.	.	H	α-helix	trans	-66.3	-39.9	176.2	-61.8	0	0	0	0	111	C76 K77 N82 I83 Y131	C76-C79 VanDerWaalsContact O-CB 3.3Å; C76-C79 WeakPolarHBondContact O-CB 3.36Å; C76-C79 PolarHBondContact O-N 2.84Å; K77-C79 VanDerWaalsContact C-N 3.3Å; K77-C79 PolarHBondContact O-N 2.77Å; C79-N82 PolarHBondContact O-N 2.71Å; C79-I83 WeakPolarHBondContact O-CD1 3.35Å; C79-I83 VanDerWaalsContact O-CG1 3.26Å; C79-I83 WeakPolarHBondContact O-CG1 3.22Å; C79-I83 PolarHBondContact O-N 3.44Å; C79-Y131 HydrophobicContact CB-CE1 4.32Å
80	V	84.9	Confident	82.8	Confident	15 Å²	15	59.8 Å²	59.8	9%	0.091	35%	0.354	C	S	.	.	H	α-helix	trans	-62.7	-52.9	176.5	162.3	0	0	0	0	111.7	M74 C76 K77 S78 N82 I83 E84 V98 L100	M74-V80 HydrophobicContact CE-CG2 3.97Å; C76-V80 PolarHBondContact O-N 2.86Å; K77-V80 PolarHBondContact O-N 2.9Å; S78-V80 VanDerWaalsContact C-N 3.35Å; V80-N82 PolarHBondContact O-N 2.83Å; V80-I83 PolarHBondContact O-N 3.09Å; V80-E84 WeakPolarHBondContact O-CB 3.36Å; V80-E84 PolarHBondContact O-N 2.77Å; V80-V98 HydrophobicContact CB-CB 4.5Å; V80-V98 HydrophobicContact CB-CG1 4.18Å; V80-V98 HydrophobicContact CG1-CB 3.72Å; V80-V98 HydrophobicContact CG1-CG1 3.92Å; V80-V98 HydrophobicContact CG2-CB 4.33Å; V80-V98 HydrophobicContact CG2-CG1 3.57Å; V80-L100 HydrophobicContact CG2-CD1 4.03Å; V80-L100 HydrophobicContact CG2-CD2 3.53Å; V80-L100 HydrophobicContact CG2-CG 3.43Å; V80-L100 VanDerWaalsContact CG2-CG 3.43Å
81	S	83.4	Confident	82.5	Confident	68 Å²	68	66.2 Å²	66.2	48%	0.476	38%	0.381	S	S	.	.	H	α-helix	trans	-60.3	-33.2	180	-57.5	0	0	0	0	112.1	K77 S85	K77-S81 PolarHBondContact O-N 3.45Å; K77-S81 VanDerWaalsContact O-N 3.12Å; K77-S81 PolarHBondContact O-OG 3.09Å; S81-S85 WeakPolarHBondContact O-CB 3.32Å; S81-S85 PolarHBondContact O-N 3.42Å; S81-S85 PolarHBondContact O-OG 3.33Å
82	N	85.8	Confident	82.4	Confident	63 Å²	63	68.4 Å²	68.4	34%	0.337	39%	0.389	S	S	.	.	H	α-helix	trans	-68.9	-45	177.1	-164	51.5	0	0	0	112.4	S78 C79 V80 A86 V126 S127	S78-N82 VanDerWaalsContact O-CB 3.3Å; S78-N82 WeakPolarHBondContact O-CB 3.33Å; S78-N82 PolarHBondContact O-N 2.86Å; S78-N82 VanDerWaalsContact O-N 3.09Å; C79-N82 PolarHBondContact O-N 2.71Å; V80-N82 PolarHBondContact O-N 2.83Å; N82-A86 VanDerWaalsContact O-CB 3.25Å; N82-A86 WeakPolarHBondContact O-CB 3.17Å; N82-A86 PolarHBondContact O-N 2.73Å; N82-V126 WeakPolarHBondContact ND2-CG1 3.44Å; N82-S127 PolarHBondContact ND2-O 3.47Å
83	I	85.9	Confident	82.6	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-65.5	-45.1	176.8	-66.2	161.7	0	0	0	110.6	I71 C79 V80 A86 L87 I96 V98 I123 V126 Y131	I71-I83 HydrophobicContact CD1-CD1 4.36Å; I71-I83 HydrophobicContact CD1-CG2 4.4Å; I71-I83 HydrophobicContact CG2-CD1 4.4Å; C79-I83 WeakPolarHBondContact O-CD1 3.35Å; C79-I83 VanDerWaalsContact O-CG1 3.26Å; C79-I83 WeakPolarHBondContact O-CG1 3.22Å; C79-I83 PolarHBondContact O-N 3.44Å; V80-I83 PolarHBondContact O-N 3.09Å; I83-A86 PolarHBondContact O-N 3.16Å; I83-L87 HydrophobicContact CG2-CD1 4.4Å; I83-L87 PolarHBondContact O-N 3.19Å; I83-I96 HydrophobicContact CG2-CD1 4.46Å; I83-V98 HydrophobicContact CG2-CG2 4.41Å; I83-I123 HydrophobicContact CG2-CG2 4.17Å; I83-V126 HydrophobicContact CG1-CG1 4.24Å; I83-Y131 HydrophobicContact CD1-CD2 4.44Å; I83-Y131 HydrophobicContact CD1-CE1 4.48Å; I83-Y131 HydrophobicContact CD1-CE2 4.27Å; I83-Y131 HydrophobicContact CG1-CE2 4.26Å
84	E	87.9	Confident	82.9	Confident	84 Å²	84	68.1 Å²	68.1	39%	0.393	39%	0.386	S	S	.	.	H	α-helix	trans	-59.1	-48.4	177.5	-164.3	-173.9	115.2	0	0	111	V80 S88 I96 V98	V80-E84 WeakPolarHBondContact O-CB 3.36Å; V80-E84 PolarHBondContact O-N 2.77Å; E84-S88 WeakPolarHBondContact O-CB 3.33Å; E84-S88 PolarHBondContact O-N 2.78Å; E84-I96 HydrophobicContact CG-CG2 3.72Å; E84-V98 HydrophobicContact CB-CG2 4.38Å
85	S	83.4	Confident	83	Confident	70 Å²	70	70.3 Å²	70.3	49%	0.49	40%	0.402	S	S	.	.	H	α-helix	trans	-63.4	-45.6	177.8	-59.7	0	0	0	0	111.6	S81 L87 S88 T89	S81-S85 WeakPolarHBondContact O-CB 3.32Å; S81-S85 PolarHBondContact O-N 3.42Å; S81-S85 PolarHBondContact O-OG 3.33Å; S85-L87 PolarHBondContact O-N 3.12Å; S85-S88 PolarHBondContact O-N 3.42Å; S85-T89 VanDerWaalsContact O-CG2 3.24Å; S85-T89 WeakPolarHBondContact O-CG2 3.38Å; S85-T89 PolarHBondContact O-N 3.39Å; S85-T89 VanDerWaalsContact O-N 3.16Å
86	A	85.9	Confident	83.5	Confident	35 Å²	35	63.5 Å²	63.5	29%	0.289	37%	0.371	S	S	.	.	H	α-helix	trans	-59.1	-49.1	-179.3	0	0	0	0	0	111.6	N82 I83 T89 V126	N82-A86 VanDerWaalsContact O-CB 3.25Å; N82-A86 WeakPolarHBondContact O-CB 3.17Å; N82-A86 PolarHBondContact O-N 2.73Å; I83-A86 PolarHBondContact O-N 3.16Å; A86-T89 PolarHBondContact O-N 3.09Å; A86-T89 PolarHBondContact O-OG1 2.84Å; A86-V126 HydrophobicContact CB-CG2 3.72Å
87	L	85.6	Confident	83.8	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-72.9	-33.4	179.2	-72	-177.1	0	0	0	112.8	I83 S85 T89 L90 V93 I96 V107 L119 A122 I123	I83-L87 HydrophobicContact CG2-CD1 4.4Å; I83-L87 PolarHBondContact O-N 3.19Å; S85-L87 PolarHBondContact O-N 3.12Å; L87-T89 PolarHBondContact O-N 3.24Å; L87-L90 HydrophobicContact CB-CD1 4.49Å; L87-L90 HydrophobicContact CD2-CD1 3.42Å; L87-L90 VanDerWaalsContact CD2-CD1 3.42Å; L87-L90 WeakPolarHBondContact O-CB 3.39Å; L87-L90 PolarHBondContact O-N 3.21Å; L87-L90 VanDerWaalsContact O-N 3.09Å; L87-V93 WeakPolarHBondContact O-CB 3.39Å; L87-I96 HydrophobicContact CB-CD1 3.72Å; L87-I96 HydrophobicContact CD1-CD1 3.27Å; L87-I96 HydrophobicContact CG-CD1 4.04Å; L87-V107 HydrophobicContact CD1-CG2 3.93Å; L87-L119 HydrophobicContact CD2-CD2 4.26Å; L87-A122 HydrophobicContact CD2-CB 3.89Å; L87-I123 HydrophobicContact CD1-CD1 3.82Å; L87-I123 HydrophobicContact CD1-CG1 3.45Å; L87-I123 VanDerWaalsContact CD1-CG1 3.45Å; L87-I123 HydrophobicContact CD2-CG1 4.1Å; L87-I123 HydrophobicContact CG-CG1 4.09Å
88	S	84.3	Confident	84.3	Confident	81 Å²	81	56.8 Å²	56.8	57%	0.566	34%	0.342	S	S	*	.	H	α-helix	trans	-66.7	-18.8	176.6	-173	0	0	0	0	113.2	E84 S85 L90	E84-S88 WeakPolarHBondContact O-CB 3.33Å; E84-S88 PolarHBondContact O-N 2.78Å; S85-S88 PolarHBondContact O-N 3.42Å; S88-L90 VanDerWaalsContact C-N 3.27Å
89	T	83.6	Confident	84.2	Confident	114 Å²	114	54 Å²	54	70%	0.699	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-12.9	173.2	66.7	0	0	0	0	113.8	S85 A86 L87	S85-T89 VanDerWaalsContact O-CG2 3.24Å; S85-T89 WeakPolarHBondContact O-CG2 3.38Å; S85-T89 PolarHBondContact O-N 3.39Å; S85-T89 VanDerWaalsContact O-N 3.16Å; A86-T89 PolarHBondContact O-N 3.09Å; A86-T89 PolarHBondContact O-OG1 2.84Å; L87-T89 PolarHBondContact O-N 3.24Å
90	L	84.3	Confident	84.3	Confident	41 Å²	41	55.7 Å²	55.7	22%	0.215	33%	0.33	C	S	.	.	S	Bend	trans	-82.1	126.7	-175	-57.5	172.2	0	0	0	110.5	L87 S88 Y92 V93 A122	L87-L90 HydrophobicContact CB-CD1 4.49Å; L87-L90 HydrophobicContact CD2-CD1 3.42Å; L87-L90 VanDerWaalsContact CD2-CD1 3.42Å; L87-L90 WeakPolarHBondContact O-CB 3.39Å; L87-L90 PolarHBondContact O-N 3.21Å; L87-L90 VanDerWaalsContact O-N 3.09Å; S88-L90 VanDerWaalsContact C-N 3.27Å; L90-Y92 HydrophobicContact CB-CD2 4.11Å; L90-Y92 HydrophobicContact CB-CE1 4.17Å; L90-Y92 HydrophobicContact CB-CE2 3.76Å; L90-Y92 HydrophobicContact CB-CG 4.5Å; L90-Y92 HydrophobicContact CD1-CE2 3.66Å; L90-Y92 WeakPolarHBondContact CD1-OH 3.46Å; L90-Y92 HydrophobicContact CD2-CE1 4.44Å; L90-Y92 HydrophobicContact CG-CE2 4.22Å; L90-Y92 PolarHBondContact O-N 2.76Å; L90-V93 HydrophobicContact CB-CB 4.37Å; L90-V93 HydrophobicContact CB-CG2 3.91Å; L90-V93 HydrophobicContact CD1-CG2 4.19Å; L90-V93 PolarHBondContact O-N 2.87Å; L90-A122 HydrophobicContact CD1-CB 4.2Å
91	Q	79.9	Confident	83.9	Confident	183 Å²	183	63.5 Å²	63.5	86%	0.855	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-16.7	-176.5	69.2	170.2	89.7	0	0	115
92	Y	85.6	Confident	83.6	Confident	49 Å²	49	65.2 Å²	65.2	19%	0.192	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-0.5	-176.7	49.6	-107.1	0	0	0	113.1	L90 Y109 N110 V114 L119	L90-Y92 HydrophobicContact CB-CD2 4.11Å; L90-Y92 HydrophobicContact CB-CE1 4.17Å; L90-Y92 HydrophobicContact CB-CE2 3.76Å; L90-Y92 HydrophobicContact CB-CG 4.5Å; L90-Y92 HydrophobicContact CD1-CE2 3.66Å; L90-Y92 WeakPolarHBondContact CD1-OH 3.46Å; L90-Y92 HydrophobicContact CD2-CE1 4.44Å; L90-Y92 HydrophobicContact CG-CE2 4.22Å; L90-Y92 PolarHBondContact O-N 2.76Å; Y92-Y109 VanDerWaalsContact O-CA 3.32Å; Y92-Y109 WeakPolarHBondContact O-CA 3.37Å; Y92-Y109 WeakPolarHBondContact O-CB 3.48Å; Y92-N110 PolarHBondContact O-N 3.33Å; Y92-N110 VanDerWaalsContact O-N 3.09Å; Y92-V114 HydrophobicContact CD1-CB 4.47Å; Y92-V114 HydrophobicContact CD2-CB 3.84Å; Y92-V114 HydrophobicContact CD2-CG1 3.56Å; Y92-V114 HydrophobicContact CD2-CG2 3.9Å; Y92-V114 HydrophobicContact CE2-CB 4.23Å; Y92-V114 HydrophobicContact CE2-CG1 4.2Å; Y92-V114 HydrophobicContact CE2-CG2 3.76Å; Y92-V114 HydrophobicContact CG-CB 3.94Å; Y92-V114 HydrophobicContact CG-CG1 3.96Å; Y92-V114 HydrophobicContact CG-CG2 4.3Å; Y92-L119 HydrophobicContact CD2-CD2 4.18Å; Y92-L119 HydrophobicContact CE2-CD2 3.71Å; Y92-L119 HydrophobicContact CE2-CG 4.37Å
93	V	84.8	Confident	83.4	Confident	17 Å²	17	69.5 Å²	69.5	10%	0.103	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	120.2	174.8	175.4	0	0	0	0	108.6	L87 L90 V107 L119	L87-V93 WeakPolarHBondContact O-CB 3.39Å; L90-V93 HydrophobicContact CB-CB 4.37Å; L90-V93 HydrophobicContact CB-CG2 3.91Å; L90-V93 HydrophobicContact CD1-CG2 4.19Å; L90-V93 PolarHBondContact O-N 2.87Å; V93-V107 HydrophobicContact CG1-CG1 3.89Å; V93-V107 HydrophobicContact CG2-CG1 4.18Å; V93-L119 HydrophobicContact CG2-CD2 3.65Å
94	S	85.1	Confident	83.3	Confident	82 Å²	82	70.5 Å²	70.5	57%	0.573	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	-39.9	177.7	-59.1	0	0	0	0	111.7	D64 K108	D64-S94 WeakPolarHBondContact OD2-CB 3.48Å; D64-S94 PolarHBondContact OD2-OG 2.79Å; S94-K108 PolarHBondContact N-O 3.01Å
95	S	82.1	Confident	83.2	Confident	58 Å²	58	66.5 Å²	66.5	41%	0.406	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	150.1	-178.1	-169	0	0	0	0	110.5	K108	S95-K108 PolarHBondContact N-O 3.35Å; S95-K108 PolarHBondContact O-N 3.17Å
96	I	85.7	Confident	83.3	Confident	15 Å²	15	66.6 Å²	66.6	8%	0.077	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	139.7	175.8	173.5	163.2	0	0	0	109.7	I83 E84 L87 V98 I106 V107	I83-I96 HydrophobicContact CG2-CD1 4.46Å; E84-I96 HydrophobicContact CG-CG2 3.72Å; L87-I96 HydrophobicContact CB-CD1 3.72Å; L87-I96 HydrophobicContact CD1-CD1 3.27Å; L87-I96 HydrophobicContact CG-CD1 4.04Å; I96-V98 HydrophobicContact CD1-CG2 3.88Å; I96-V98 HydrophobicContact CG1-CG2 3.85Å; I96-I106 CarbonylContact C-O 3.57Å; I96-I106 WeakPolarHBondContact CA-O 3.03Å; I96-V107 HydrophobicContact CD1-CG2 3.88Å; I96-V107 HydrophobicContact CG1-CG2 4.09Å
97	V	84.7	Confident	83.5	Confident	79 Å²	79	65 Å²	65	48%	0.479	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	120.9	174.2	-179.7	0	0	0	0	108.2	A105 I106	V97-A105 CarbonylContact O-C 3.54Å; V97-A105 WeakPolarHBondContact O-CA 3.3Å; V97-I106 PolarHBondContact N-O 3.1Å; V97-I106 PolarHBondContact O-N 3.02Å
98	V	85.9	Confident	83.6	Confident	18 Å²	18	68.1 Å²	68.1	11%	0.109	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.2	180	-173.7	0	0	0	0	110	M74 V80 I83 E84 I96 A105	M74-V98 HydrophobicContact CE-CG1 3.67Å; M74-V98 HydrophobicContact SD-CG1 4.45Å; V80-V98 HydrophobicContact CB-CB 4.5Å; V80-V98 HydrophobicContact CB-CG1 4.18Å; V80-V98 HydrophobicContact CG1-CB 3.72Å; V80-V98 HydrophobicContact CG1-CG1 3.92Å; V80-V98 HydrophobicContact CG2-CB 4.33Å; V80-V98 HydrophobicContact CG2-CG1 3.57Å; I83-V98 HydrophobicContact CG2-CG2 4.41Å; E84-V98 HydrophobicContact CB-CG2 4.38Å; I96-V98 HydrophobicContact CD1-CG2 3.88Å; I96-V98 HydrophobicContact CG1-CG2 3.85Å; V98-A105 HydrophobicContact CB-CB 4.42Å; V98-A105 HydrophobicContact CG1-CB 4.27Å; V98-A105 HydrophobicContact CG2-CB 3.93Å
99	S	80.5	Confident	83.7	Confident	36 Å²	36	65.1 Å²	65.1	25%	0.252	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	109.7	-177.7	-63.8	0	0	0	0	110.6	M74 E101 R103 S104	M74-S99 WeakPolarHBondContact CE-O 3.44Å; S99-E101 VanDerWaalsContact C-N 3.32Å; S99-R103 WeakPolarHBondContact O-CA 3.42Å; S99-R103 PolarHBondContact O-N 3.39Å; S99-S104 PolarHBondContact N-O 2.91Å; S99-S104 PolarHBondContact O-N 3.39Å; S99-S104 VanDerWaalsContact O-N 3.12Å
100	L	82	Confident	83.7	Confident	61 Å²	61	62.1 Å²	62.1	32%	0.319	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-39.9	172.1	-81.4	171.6	0	0	0	112.9	M74 K77 V80 R103	M74-L100 HydrophobicContact CB-CD2 4.28Å; M74-L100 HydrophobicContact CE-CD2 3.79Å; M74-L100 HydrophobicContact CE-CG 4.25Å; M74-L100 HydrophobicContact CG-CD2 4.36Å; K77-L100 HydrophobicContact CB-CD1 4.43Å; K77-L100 HydrophobicContact CG-CD1 3.77Å; V80-L100 HydrophobicContact CG2-CD1 4.03Å; V80-L100 HydrophobicContact CG2-CD2 3.53Å; V80-L100 HydrophobicContact CG2-CG 3.43Å; V80-L100 VanDerWaalsContact CG2-CG 3.43Å; L100-R103 PolarHBondContact O-N 3.21Å
101	E	76.6	Confident	83.6	Confident	178 Å²	178	62.4 Å²	62.4	83%	0.832	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-49.1	-179.7	-173	169.4	87.9	0	0	110.9	S99 R103	S99-E101 VanDerWaalsContact C-N 3.32Å; E101-R103 VanDerWaalsContact C-N 3.34Å
102	N	76.3	Confident	83.6	Confident	105 Å²	105	58 Å²	58	56%	0.561	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	1.1	-178	-62.2	-13.8	0	0	0	113.5	S104	N102-S104 WeakPolarHBondContact O-CB 3.43Å; N102-S104 PolarHBondContact O-N 3.4Å; N102-S104 VanDerWaalsContact O-N 3.07Å; N102-S104 PolarHBondContact O-OG 3.15Å
103	R	80.9	Confident	83.2	Confident	153 Å²	153	61.2 Å²	61.2	58%	0.577	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	38.5	-174.6	-58	179.4	-177.8	172.1	0.8	113.2	I71 S99 L100 E101	I71-R103 PolarHBondContact N-O 2.91Å; S99-R103 WeakPolarHBondContact O-CA 3.42Å; S99-R103 PolarHBondContact O-N 3.39Å; L100-R103 PolarHBondContact O-N 3.21Å; E101-R103 VanDerWaalsContact C-N 3.34Å
104	S	84.9	Confident	83.2	Confident	21 Å²	21	61 Å²	61	15%	0.147	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147.1	-168.8	-62.6	0	0	0	0	111.4	F69 S99 N102	F69-S104 CarbonylContact O-C 3.38Å; F69-S104 WeakPolarHBondContact O-CA 3.25Å; S99-S104 PolarHBondContact N-O 2.91Å; S99-S104 PolarHBondContact O-N 3.39Å; S99-S104 VanDerWaalsContact O-N 3.12Å; N102-S104 WeakPolarHBondContact O-CB 3.43Å; N102-S104 PolarHBondContact O-N 3.4Å; N102-S104 VanDerWaalsContact O-N 3.07Å; N102-S104 PolarHBondContact O-OG 3.15Å
105	A	86	Confident	83.3	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.9	174.9	0	0	0	0	0	110.4	T68 F69 I71 V97 V98	T68-A105 CarbonylContact C-O 3.55Å; T68-A105 WeakPolarHBondContact CA-O 3.26Å; F69-A105 PolarHBondContact N-O 3.07Å; F69-A105 PolarHBondContact O-N 3.02Å; I71-A105 HydrophobicContact CD1-CB 3.51Å; I71-A105 HydrophobicContact CG1-CB 4.45Å; V97-A105 CarbonylContact O-C 3.54Å; V97-A105 WeakPolarHBondContact O-CA 3.3Å; V98-A105 HydrophobicContact CB-CB 4.42Å; V98-A105 HydrophobicContact CG1-CB 4.27Å; V98-A105 HydrophobicContact CG2-CB 3.93Å
106	I	85.8	Confident	83.4	Confident	72 Å²	72	59.8 Å²	59.8	37%	0.369	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.2	175.4	-57.3	168.7	0	0	0	107.3	I67 T68 I96 V97	I67-I106 WeakPolarHBondContact O-CA 3.19Å; T68-I106 HydrophobicContact CG2-CG1 4.24Å; I96-I106 CarbonylContact C-O 3.57Å; I96-I106 WeakPolarHBondContact CA-O 3.03Å; V97-I106 PolarHBondContact N-O 3.1Å; V97-I106 PolarHBondContact O-N 3.02Å
107	V	89.1	Confident	83.4	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.9	-178.3	-172.9	0	0	0	0	109.1	A66 I67 F69 L87 V93 I96 L119	A66-V107 CarbonylContact C-O 3.59Å; A66-V107 WeakPolarHBondContact CA-O 3.38Å; I67-V107 HydrophobicContact CG2-CB 4.36Å; I67-V107 PolarHBondContact N-O 3.2Å; I67-V107 PolarHBondContact O-N 3.25Å; F69-V107 HydrophobicContact CD2-CB 4.46Å; F69-V107 HydrophobicContact CD2-CG2 3.83Å; F69-V107 HydrophobicContact CE2-CB 4.11Å; F69-V107 HydrophobicContact CE2-CG2 3.85Å; L87-V107 HydrophobicContact CD1-CG2 3.93Å; V93-V107 HydrophobicContact CG1-CG1 3.89Å; V93-V107 HydrophobicContact CG2-CG1 4.18Å; I96-V107 HydrophobicContact CD1-CG2 3.88Å; I96-V107 HydrophobicContact CG1-CG2 4.09Å; V107-L119 HydrophobicContact CG1-CD2 4.25Å
108	K	88.2	Confident	83.5	Confident	67 Å²	67	65.3 Å²	65.3	29%	0.291	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	121	169.2	-75.5	-174.3	177.1	178.5	0	109	S58 D64 S65 A66 S94 S95	S58-K108 PolarHBondContact OG-NZ 2.9Å; D64-K108 WeakPolarHBondContact OD1-CB 3.37Å; D64-K108 WeakPolarHBondContact OD1-CD 3.46Å; D64-K108 WeakPolarHBondContact OD1-CG 3.42Å; S65-K108 WeakPolarHBondContact O-CA 3.39Å; A66-K108 HydrophobicContact CB-CG 4.13Å; S94-K108 PolarHBondContact N-O 3.01Å; S95-K108 PolarHBondContact N-O 3.35Å; S95-K108 PolarHBondContact O-N 3.17Å
109	Y	86.3	Confident	83.6	Confident	19 Å²	19	64.5 Å²	64.5	8%	0.075	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	162.3	-175	70.5	-81.8	0	0	0	111.6	S65 I67 Y92 A111 V114 L119	S65-Y109 PolarHBondContact N-O 3.16Å; S65-Y109 WeakPolarHBondContact O-CD1 3.06Å; S65-Y109 PolarHBondContact O-N 2.88Å; I67-Y109 HydrophobicContact CB-CE1 3.76Å; I67-Y109 HydrophobicContact CG2-CD1 3.81Å; I67-Y109 HydrophobicContact CG2-CE1 3.37Å; Y92-Y109 VanDerWaalsContact O-CA 3.32Å; Y92-Y109 WeakPolarHBondContact O-CA 3.37Å; Y92-Y109 WeakPolarHBondContact O-CB 3.48Å; Y109-A111 HydrophobicContact CE2-CB 4.11Å; Y109-A111 PolarHBondContact O-N 3.16Å; Y109-V114 HydrophobicContact CD2-CG1 3.45Å; Y109-V114 VanDerWaalsContact CD2-CG1 3.45Å; Y109-V114 HydrophobicContact CE2-CG1 4.23Å; Y109-V114 WeakPolarHBondContact CE2-O 3.16Å; Y109-V114 HydrophobicContact CG-CG1 4.16Å; Y109-L119 HydrophobicContact CD1-CD1 3.56Å; Y109-L119 HydrophobicContact CD2-CD1 3.73Å; Y109-L119 HydrophobicContact CE1-CD1 4.05Å; Y109-L119 HydrophobicContact CE2-CD1 4.16Å; Y109-L119 HydrophobicContact CG-CD1 3.37Å
110	N	83	Confident	83.9	Confident	50 Å²	50	66.8 Å²	66.8	27%	0.267	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	108.5	175.4	-168.6	-48.9	0	0	0	110.8	Y92 S112 L113 V114	Y92-N110 PolarHBondContact O-N 3.33Å; Y92-N110 VanDerWaalsContact O-N 3.09Å; N110-S112 PolarHBondContact O-N 3.48Å; N110-S112 VanDerWaalsContact O-N 3.16Å; N110-S112 WeakPolarHBondContact OD1-CA 3.44Å; N110-S112 WeakPolarHBondContact OD1-CB 3.25Å; N110-S112 PolarHBondContact OD1-N 3.35Å; N110-S112 PolarHBondContact OD1-OG 2.87Å; N110-L113 HydrophobicContact CB-CB 4.39Å; N110-L113 HydrophobicContact CB-CD1 4.19Å; N110-L113 HydrophobicContact CB-CG 4.36Å; N110-L113 PolarHBondContact O-N 3.29Å; N110-L113 VanDerWaalsContact O-N 3.09Å; N110-V114 PolarHBondContact O-N 3.45Å
111	A	81.8	Confident	84.1	Confident	48 Å²	48	70.5 Å²	70.5	40%	0.397	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-14.4	-178.6	0	0	0	0	0	114	S63 S65 Y109	S63-A111 PolarHBondContact O-N 3.33Å; S65-A111 WeakPolarHBondContact OG-CB 3.12Å; Y109-A111 HydrophobicContact CE2-CB 4.11Å; Y109-A111 PolarHBondContact O-N 3.16Å
112	S	79.7	Confident	84.6	Confident	90 Å²	90	63.4 Å²	63.4	63%	0.629	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-15.9	175.6	-47	0	0	0	0	113.1	S63 N110	S63-S112 PolarHBondContact OG-OG 2.64Å; N110-S112 PolarHBondContact O-N 3.48Å; N110-S112 VanDerWaalsContact O-N 3.16Å; N110-S112 WeakPolarHBondContact OD1-CA 3.44Å; N110-S112 WeakPolarHBondContact OD1-CB 3.25Å; N110-S112 PolarHBondContact OD1-N 3.35Å; N110-S112 PolarHBondContact OD1-OG 2.87Å
113	L	78.1	Confident	85.1	Confident	117 Å²	117	58.4 Å²	58.4	61%	0.613	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	-27.1	-176.3	-64	177.1	0	0	0	113.3	N110	N110-L113 HydrophobicContact CB-CB 4.39Å; N110-L113 HydrophobicContact CB-CD1 4.19Å; N110-L113 HydrophobicContact CB-CG 4.36Å; N110-L113 PolarHBondContact O-N 3.29Å; N110-L113 VanDerWaalsContact O-N 3.09Å
114	V	85.6	Confident	85.3	Confident	11 Å²	11	54.1 Å²	54.1	7%	0.067	29%	0.288	C	S	.	.			trans	-144	145.4	-174.6	72.4	0	0	0	0	111.6	Y92 Y109 N110 I118 L119	Y92-V114 HydrophobicContact CD1-CB 4.47Å; Y92-V114 HydrophobicContact CD2-CB 3.84Å; Y92-V114 HydrophobicContact CD2-CG1 3.56Å; Y92-V114 HydrophobicContact CD2-CG2 3.9Å; Y92-V114 HydrophobicContact CE2-CB 4.23Å; Y92-V114 HydrophobicContact CE2-CG1 4.2Å; Y92-V114 HydrophobicContact CE2-CG2 3.76Å; Y92-V114 HydrophobicContact CG-CB 3.94Å; Y92-V114 HydrophobicContact CG-CG1 3.96Å; Y92-V114 HydrophobicContact CG-CG2 4.3Å; Y109-V114 HydrophobicContact CD2-CG1 3.45Å; Y109-V114 VanDerWaalsContact CD2-CG1 3.45Å; Y109-V114 HydrophobicContact CE2-CG1 4.23Å; Y109-V114 WeakPolarHBondContact CE2-O 3.16Å; Y109-V114 HydrophobicContact CG-CG1 4.16Å; N110-V114 PolarHBondContact O-N 3.45Å; V114-I118 HydrophobicContact CG2-CB 3.71Å; V114-I118 HydrophobicContact CG2-CG1 4.47Å; V114-I118 HydrophobicContact CG2-CG2 3.75Å; V114-L119 HydrophobicContact CG1-CD1 4.13Å; V114-L119 HydrophobicContact CG1-CG 4.38Å; V114-L119 HydrophobicContact CG2-CG 4.35Å
115	T	86.3	Confident	85.2	Confident	76 Å²	76	56.6 Å²	56.6	47%	0.466	31%	0.31	S	S	.	.			trans	-94.1	151.7	173.3	62.2	0	0	0	0	110.9	E117 I118 L119	T115-E117 PolarHBondContact O-N 3.34Å; T115-E117 VanDerWaalsContact O-N 3.15Å; T115-I118 PolarHBondContact O-N 2.72Å; T115-I118 WeakPolarHBondContact OG1-CG1 3.18Å; T115-L119 PolarHBondContact O-N 2.97Å
116	P	85.1	Confident	85.1	Confident	39 Å²	39	57.2 Å²	57.2	25%	0.253	31%	0.314	S	S	.	.	H	α-helix	trans	-59.7	-26.5	-179.9	23.9	-35.3	0	0	0	113.6	I67 I118 L119 R120 I135	I67-P116 HydrophobicContact CD1-CB 3.35Å; I67-P116 HydrophobicContact CD1-CG 4.29Å; P116-I118 VanDerWaalsContact C-N 3.34Å; P116-I118 PolarHBondContact O-N 3.07Å; P116-L119 PolarHBondContact O-N 2.96Å; P116-R120 WeakPolarHBondContact O-CB 3.08Å; P116-R120 PolarHBondContact O-N 3.27Å; P116-I135 HydrophobicContact CB-CD1 4.33Å
117	E	85.3	Confident	84.5	Confident	130 Å²	130	58.3 Å²	58.3	61%	0.607	33%	0.328	S	S	*	.	H	α-helix	trans	-65.8	-35.3	175	-61.2	-159.3	94.4	0	0	113.2	T115 R120 K121	T115-E117 PolarHBondContact O-N 3.34Å; T115-E117 VanDerWaalsContact O-N 3.15Å; E117-R120 WeakPolarHBondContact O-CB 3.41Å; E117-R120 PolarHBondContact O-N 2.78Å; E117-K121 WeakPolarHBondContact O-CG 3.47Å; E117-K121 PolarHBondContact O-N 3.5Å
118	I	86.4	Confident	83.2	Confident	81 Å²	81	64.3 Å²	64.3	42%	0.415	37%	0.367	S	S	.	.	H	α-helix	trans	-70.3	-41.3	177.3	-61.4	-62.3	0	0	0	110.1	V114 T115 P116 K121 A122	V114-I118 HydrophobicContact CG2-CB 3.71Å; V114-I118 HydrophobicContact CG2-CG1 4.47Å; V114-I118 HydrophobicContact CG2-CG2 3.75Å; T115-I118 PolarHBondContact O-N 2.72Å; T115-I118 WeakPolarHBondContact OG1-CG1 3.18Å; P116-I118 VanDerWaalsContact C-N 3.34Å; P116-I118 PolarHBondContact O-N 3.07Å; I118-K121 PolarHBondContact O-N 3.12Å; I118-A122 WeakPolarHBondContact O-CB 3.34Å; I118-A122 PolarHBondContact O-N 3.31Å
119	L	87.5	Confident	81.9	Confident	0 Å²	0	62 Å²	62	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-60.8	-44.4	173.8	-76.8	164.3	0	0	0	111.8	F69 L87 Y92 V93 V107 Y109 V114 T115 P116 K121 A122 I123	F69-L119 HydrophobicContact CE2-CB 4.1Å; F69-L119 HydrophobicContact CZ-CB 3.67Å; L87-L119 HydrophobicContact CD2-CD2 4.26Å; Y92-L119 HydrophobicContact CD2-CD2 4.18Å; Y92-L119 HydrophobicContact CE2-CD2 3.71Å; Y92-L119 HydrophobicContact CE2-CG 4.37Å; V93-L119 HydrophobicContact CG2-CD2 3.65Å; V107-L119 HydrophobicContact CG1-CD2 4.25Å; Y109-L119 HydrophobicContact CD1-CD1 3.56Å; Y109-L119 HydrophobicContact CD2-CD1 3.73Å; Y109-L119 HydrophobicContact CE1-CD1 4.05Å; Y109-L119 HydrophobicContact CE2-CD1 4.16Å; Y109-L119 HydrophobicContact CG-CD1 3.37Å; V114-L119 HydrophobicContact CG1-CD1 4.13Å; V114-L119 HydrophobicContact CG1-CG 4.38Å; V114-L119 HydrophobicContact CG2-CG 4.35Å; T115-L119 PolarHBondContact O-N 2.97Å; P116-L119 PolarHBondContact O-N 2.96Å; L119-K121 PolarHBondContact O-N 2.87Å; L119-A122 WeakPolarHBondContact O-CB 3.28Å; L119-A122 PolarHBondContact O-N 3.38Å; L119-I123 WeakPolarHBondContact O-CG1 3.16Å; L119-I123 PolarHBondContact O-N 3.48Å; L119-I123 VanDerWaalsContact O-N 3.07Å
120	R	88.2	Confident	81.1	Confident	85 Å²	85	70.7 Å²	70.7	32%	0.321	40%	0.403	S	S	.	.	H	α-helix	trans	-55.3	-52.3	173.4	-179.6	-160.1	154.1	145.7	9.2	111.1	F69 P116 E117 A122 I123 E124 V133	F69-R120 HydrophobicContact CE1-CB 3.97Å; P116-R120 WeakPolarHBondContact O-CB 3.08Å; P116-R120 PolarHBondContact O-N 3.27Å; E117-R120 WeakPolarHBondContact O-CB 3.41Å; E117-R120 PolarHBondContact O-N 2.78Å; R120-A122 VanDerWaalsContact C-N 3.26Å; R120-A122 PolarHBondContact O-N 3.01Å; R120-I123 PolarHBondContact O-N 3.5Å; R120-I123 VanDerWaalsContact O-N 3.1Å; R120-E124 IonicContact CZ-OE1 3.77Å; R120-E124 IonicContact CZ-OE2 3.57Å; R120-E124 IonicContact NE-OE1 2.92Å; R120-E124 PolarHBondContact NE-OE1 2.8Å; R120-E124 IonicContact NE-OE2 3.68Å; R120-E124 PolarHBondContact NE-OE2 3.12Å; R120-E124 IonicContact NH2-OE1 2.84Å; R120-E124 PolarHBondContact NH2-OE1 2.96Å; R120-E124 IonicContact NH2-OE2 3.97Å; R120-E124 WeakPolarHBondContact O-CG 3.3Å; R120-E124 PolarHBondContact O-N 2.82Å; R120-V133 HydrophobicContact CG-CB 3.86Å; R120-V133 HydrophobicContact CG-CG1 3.89Å; R120-V133 VanDerWaalsContact CZ-O 3.26Å; R120-V133 PolarHBondContact NE-O 3.21Å; R120-V133 PolarHBondContact NH2-O 3.08Å
121	K	85.3	Confident	81.1	Confident	139 Å²	139	69 Å²	69	60%	0.604	39%	0.393	S	S	*	.	H	α-helix	trans	-59.8	-37.1	178.4	-77.6	-176.3	177.4	-175.2	0	112.4	E117 I118 L119 I123 E124 A125	E117-K121 WeakPolarHBondContact O-CG 3.47Å; E117-K121 PolarHBondContact O-N 3.5Å; I118-K121 PolarHBondContact O-N 3.12Å; L119-K121 PolarHBondContact O-N 2.87Å; K121-I123 VanDerWaalsContact C-N 3.33Å; K121-E124 PolarHBondContact O-N 2.98Å; K121-A125 VanDerWaalsContact O-CB 3.32Å; K121-A125 WeakPolarHBondContact O-CB 3.41Å; K121-A125 PolarHBondContact O-N 3.38Å
122	A	86.9	Confident	81.2	Confident	28 Å²	28	73.4 Å²	73.4	23%	0.231	40%	0.4	C	S	.	.	H	α-helix	trans	-62.6	-40.5	176.4	0	0	0	0	0	111.6	L87 L90 I118 L119 R120 A125 V126	L87-A122 HydrophobicContact CD2-CB 3.89Å; L90-A122 HydrophobicContact CD1-CB 4.2Å; I118-A122 WeakPolarHBondContact O-CB 3.34Å; I118-A122 PolarHBondContact O-N 3.31Å; L119-A122 WeakPolarHBondContact O-CB 3.28Å; L119-A122 PolarHBondContact O-N 3.38Å; R120-A122 VanDerWaalsContact C-N 3.26Å; R120-A122 PolarHBondContact O-N 3.01Å; A122-A125 PolarHBondContact O-N 2.94Å; A122-V126 WeakPolarHBondContact O-CG2 3.33Å
123	I	86.1	Confident	81.6	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-67.7	-44.4	175.4	-59.2	161.5	0	0	0	111	F69 I71 I83 L87 L119 R120 K121 A125 V126 V133	F69-I123 HydrophobicContact CB-CD1 4.26Å; F69-I123 HydrophobicContact CD1-CD1 4.37Å; F69-I123 HydrophobicContact CD2-CD1 3.71Å; F69-I123 HydrophobicContact CE2-CD1 4.06Å; F69-I123 HydrophobicContact CG-CD1 3.87Å; I71-I123 HydrophobicContact CD1-CG2 3.93Å; I71-I123 HydrophobicContact CG1-CG2 4.37Å; I83-I123 HydrophobicContact CG2-CG2 4.17Å; L87-I123 HydrophobicContact CD1-CD1 3.82Å; L87-I123 HydrophobicContact CD1-CG1 3.45Å; L87-I123 VanDerWaalsContact CD1-CG1 3.45Å; L87-I123 HydrophobicContact CD2-CG1 4.1Å; L87-I123 HydrophobicContact CG-CG1 4.09Å; L119-I123 WeakPolarHBondContact O-CG1 3.16Å; L119-I123 PolarHBondContact O-N 3.48Å; L119-I123 VanDerWaalsContact O-N 3.07Å; R120-I123 PolarHBondContact O-N 3.5Å; R120-I123 VanDerWaalsContact O-N 3.1Å; K121-I123 VanDerWaalsContact C-N 3.33Å; I123-A125 PolarHBondContact O-N 3Å; I123-V126 WeakPolarHBondContact O-CB 3.37Å; I123-V126 WeakPolarHBondContact O-CG2 3.47Å; I123-V126 PolarHBondContact O-N 2.82Å; I123-V126 VanDerWaalsContact O-N 3.12Å; I123-V133 HydrophobicContact CB-CG2 3.84Å; I123-V133 HydrophobicContact CD1-CG1 4.07Å; I123-V133 HydrophobicContact CG2-CG2 3.44Å; I123-V133 VanDerWaalsContact CG2-CG2 3.44Å
124	E	86.3	Confident	82	Confident	63 Å²	63	66.2 Å²	66.2	29%	0.294	36%	0.359	S	S	.	.	H	α-helix	trans	-63.4	-28	178.2	-68.2	177.5	123.4	0	0	112.2	R120 K121 V126 V133	R120-E124 IonicContact CZ-OE1 3.77Å; R120-E124 IonicContact CZ-OE2 3.57Å; R120-E124 IonicContact NE-OE1 2.92Å; R120-E124 PolarHBondContact NE-OE1 2.8Å; R120-E124 IonicContact NE-OE2 3.68Å; R120-E124 PolarHBondContact NE-OE2 3.12Å; R120-E124 IonicContact NH2-OE1 2.84Å; R120-E124 PolarHBondContact NH2-OE1 2.96Å; R120-E124 IonicContact NH2-OE2 3.97Å; R120-E124 WeakPolarHBondContact O-CG 3.3Å; R120-E124 PolarHBondContact O-N 2.82Å; K121-E124 PolarHBondContact O-N 2.98Å; E124-V126 VanDerWaalsContact C-N 3.31Å; E124-V126 PolarHBondContact O-N 2.86Å; E124-V133 HydrophobicContact CG-CB 3.9Å; E124-V133 HydrophobicContact CG-CG2 3.59Å
125	A	83.2	Confident	82.1	Confident	74 Å²	74	68.8 Å²	68.8	61%	0.612	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-6.2	177.1	0	0	0	0	0	114.2	K121 A122 I123 S127	K121-A125 VanDerWaalsContact O-CB 3.32Å; K121-A125 WeakPolarHBondContact O-CB 3.41Å; K121-A125 PolarHBondContact O-N 3.38Å; A122-A125 PolarHBondContact O-N 2.94Å; I123-A125 PolarHBondContact O-N 3Å; A125-S127 PolarHBondContact O-N 3.05Å
126	V	83.9	Confident	81.7	Confident	12 Å²	12	67.3 Å²	67.3	7%	0.073	37%	0.365	C	S	.	.			trans	-69.2	102.6	179.7	179.4	0	0	0	0	109.9	N82 I83 A86 A122 I123 E124 G129 Y131	N82-V126 WeakPolarHBondContact ND2-CG1 3.44Å; I83-V126 HydrophobicContact CG1-CG1 4.24Å; A86-V126 HydrophobicContact CB-CG2 3.72Å; A122-V126 WeakPolarHBondContact O-CG2 3.33Å; I123-V126 WeakPolarHBondContact O-CB 3.37Å; I123-V126 WeakPolarHBondContact O-CG2 3.47Å; I123-V126 PolarHBondContact O-N 2.82Å; I123-V126 VanDerWaalsContact O-N 3.12Å; E124-V126 VanDerWaalsContact C-N 3.31Å; E124-V126 PolarHBondContact O-N 2.86Å; V126-G129 PolarHBondContact O-N 2.96Å; V126-Y131 HydrophobicContact CB-CD2 4.22Å; V126-Y131 HydrophobicContact CB-CE2 4.01Å; V126-Y131 HydrophobicContact CG1-CE2 4Å; V126-Y131 WeakPolarHBondContact O-CE2 3.49Å
127	S	71.6	Confident	80.7	Confident	96 Å²	96	68.9 Å²	68.9	67%	0.671	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	147	172.5	-63.9	0	0	0	0	111.1	N82 A125	N82-S127 PolarHBondContact ND2-O 3.47Å; A125-S127 PolarHBondContact O-N 3.05Å
128	P	62.5	Low	78.9	Confident	126 Å²	126	71.8 Å²	71.8	82%	0.818	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	cis	-96.2	8.7	9	37.4	-36.5	0	0	0	115.4
129	G	61.6	Low	76.6	Confident	18 Å²	18	72.9 Å²	72.9	19%	0.186	40%	0.4	C	S	.	.			trans	-91.9	132	-171.8	0	0	0	0	0	112.8	V126 Y131	V126-G129 PolarHBondContact O-N 2.96Å; G129-Y131 WeakPolarHBondContact O-CD2 3.48Å; G129-Y131 PolarHBondContact O-N 3.27Å
130	Q	69.8	Low	74.4	Confident	201 Å²	201	82.3 Å²	82.3	94%	0.939	44%	0.444	S	S	*	.			trans	-76.7	66.1	163.2	-69.3	-172.8	92.4	0	0	109.2
131	Y	82.4	Confident	71.6	Confident	14 Å²	14	83 Å²	83	6%	0.055	46%	0.462	C	S	.	.			trans	-68.5	132.9	-179.4	-53.5	-61.5	0	0	0	109.5	I71 D72 C79 I83 V126 G129	I71-Y131 HydrophobicContact CG2-CD1 4.4Å; I71-Y131 HydrophobicContact CG2-CG 4.41Å; D72-Y131 WeakPolarHBondContact O-CA 3.46Å; C79-Y131 HydrophobicContact CB-CE1 4.32Å; I83-Y131 HydrophobicContact CD1-CD2 4.44Å; I83-Y131 HydrophobicContact CD1-CE1 4.48Å; I83-Y131 HydrophobicContact CD1-CE2 4.27Å; I83-Y131 HydrophobicContact CG1-CE2 4.26Å; V126-Y131 HydrophobicContact CB-CD2 4.22Å; V126-Y131 HydrophobicContact CB-CE2 4.01Å; V126-Y131 HydrophobicContact CG1-CE2 4Å; V126-Y131 WeakPolarHBondContact O-CE2 3.49Å; G129-Y131 WeakPolarHBondContact O-CD2 3.48Å; G129-Y131 PolarHBondContact O-N 3.27Å
132	R	83.3	Confident	69.5	Low	142 Å²	142	82 Å²	82	54%	0.536	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	118.6	172.6	-173.9	174.6	73.5	-96.9	-3.6	108.4	D72	D72-R132 HydrophobicContact CB-CB 4.14Å; D72-R132 VanDerWaalsContact CG-NH2 3.29Å; D72-R132 PolarHBondContact N-O 3.09Å; D72-R132 PolarHBondContact O-N 3.47Å; D72-R132 IonicContact OD1-CZ 2.74Å; D72-R132 IonicContact OD1-NH1 3.76Å; D72-R132 PolarHBondContact OD1-NH1 3.06Å; D72-R132 IonicContact OD1-NH2 3.71Å; D72-R132 PolarHBondContact OD1-NH2 3.19Å; D72-R132 IonicContact OD2-NH2 3.44Å
133	V	87.6	Confident	66.7	Low	0 Å²	0	87.1 Å²	87.1	0%	0	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.7	-170.7	-172.9	0	0	0	0	109.6	F69 T70 I71 R120 I123 E124	F69-V133 HydrophobicContact CB-CG1 3.8Å; F69-V133 HydrophobicContact CD1-CG1 3.68Å; F69-V133 HydrophobicContact CG-CG1 4Å; T70-V133 CarbonylContact O-C 3.44Å; T70-V133 WeakPolarHBondContact O-CA 3.21Å; I71-V133 HydrophobicContact CG1-CG1 4.34Å; I71-V133 HydrophobicContact CG1-CG2 4.35Å; R120-V133 HydrophobicContact CG-CB 3.86Å; R120-V133 HydrophobicContact CG-CG1 3.89Å; R120-V133 VanDerWaalsContact CZ-O 3.26Å; R120-V133 PolarHBondContact NE-O 3.21Å; R120-V133 PolarHBondContact NH2-O 3.08Å; I123-V133 HydrophobicContact CB-CG2 3.84Å; I123-V133 HydrophobicContact CD1-CG1 4.07Å; I123-V133 HydrophobicContact CG2-CG2 3.44Å; I123-V133 VanDerWaalsContact CG2-CG2 3.44Å; E124-V133 HydrophobicContact CG-CB 3.9Å; E124-V133 HydrophobicContact CG-CG2 3.59Å
134	S	86.8	Confident	64.7	Low	56 Å²	56	92.2 Å²	92.2	39%	0.392	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.5	174.7	-57.1	0	0	0	0	109.6	F69 T70	F69-S134 CarbonylContact C-O 3.49Å; F69-S134 VanDerWaalsContact CA-O 3.28Å; F69-S134 WeakPolarHBondContact CA-O 3.24Å; T70-S134 PolarHBondContact N-O 2.95Å; T70-S134 PolarHBondContact O-N 2.93Å; T70-S134 WeakPolarHBondContact OG1-CB 3.45Å; T70-S134 PolarHBondContact OG1-O 3.48Å
135	I	88.6	Confident	63.3	Low	64 Å²	64	93.8 Å²	93.8	33%	0.328	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.8	118.4	178.1	-67.4	159.6	0	0	0	107.4	I67 F69 P116	I67-I135 HydrophobicContact CD1-CG1 4.48Å; I67-I135 HydrophobicContact CD1-CG2 3.58Å; I67-I135 HydrophobicContact CG1-CG2 4.08Å; F69-I135 HydrophobicContact CD1-CG1 3.88Å; F69-I135 HydrophobicContact CE1-CD1 4.46Å; F69-I135 HydrophobicContact CE1-CG1 3.61Å; P116-I135 HydrophobicContact CB-CD1 4.33Å
136	S	76.4	Confident	62	Low	46 Å²	46	95.3 Å²	95.3	32%	0.322	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.8	83.2	171.6	-66.4	0	0	0	0	107.2	T68 T70 E138	T68-S136 WeakPolarHBondContact CB-O 3.49Å; T68-S136 CarbonylContact O-C 3.48Å; T68-S136 WeakPolarHBondContact O-CA 3.32Å; T68-S136 PolarHBondContact O-N 3.46Å; T68-S136 VanDerWaalsContact O-O 3.05Å; T70-S136 WeakPolarHBondContact CG2-OG 3.44Å; T70-S136 PolarHBondContact OG1-OG 2.92Å; S136-E138 PolarHBondContact O-N 2.93Å
137	S	64.8	Low	60.1	Low	71 Å²	71	100.3 Å²	100.3	50%	0.497	59%	0.591	S	S	.	*			trans	-64	122.1	169.1	-59.5	0	0	0	0	108	V139	S137-V139 PolarHBondContact O-N 2.77Å
138	E	48	Very low	58.9	Low	191 Å²	191	100.5 Å²	100.5	89%	0.893	59%	0.593	S	S	*	*			trans	-75.9	67.5	162	-163.9	166.1	92.3	0	0	107.9	S136	S136-E138 PolarHBondContact O-N 2.93Å
139	V	38.2	Very low	58	Low	104 Å²	104	100.1 Å²	100.1	63%	0.63	59%	0.593	S	S	*	*	S	Bend	trans	-117.6	121.5	150.4	-65.9	0	0	0	0	104.4	S137 S141	S137-V139 PolarHBondContact O-N 2.77Å; V139-S141 PolarHBondContact O-N 3.06Å
140	E	41	Very low	57.2	Low	198 Å²	198	104.5 Å²	104.5	93%	0.925	62%	0.62	S	S	*	*			trans	-46.4	114.6	179.8	-139.8	166.3	97.5	0	0	109.8
141	S	28.9	Very low	56.4	Low	100 Å²	100	102.5 Å²	102.5	70%	0.699	62%	0.615	S	S	*	*			trans	-147.7	96	168.5	-65.6	0	0	0	0	105.5	V139 T143	V139-S141 PolarHBondContact O-N 3.06Å; S141-T143 PolarHBondContact O-N 3.35Å
142	P	41.9	Very low	54.7	Low	118 Å²	118	110.6 Å²	110.6	77%	0.766	65%	0.654	S	S	*	*			trans	-69.2	119.7	164.3	30.6	-28.3	0	0	0	105.7
143	T	28.2	Very low	52.9	Low	136 Å²	136	113.2 Å²	113.2	83%	0.834	67%	0.669	S	S	*	*				-175.6	92.3	124.7	-69.8	0	0	0	0	108.5	S141	S141-T143 PolarHBondContact O-N 3.35Å
144	S	44.3	Very low	51.4	Low	107 Å²	107	120.8 Å²	120.8	75%	0.748	71%	0.706	S	S	*	*			trans	-79.3	104.3	153.8	41.6	0	0	0	0	110
145	S	56.9	Low	49.7	Very low	96 Å²	96	123.9 Å²	123.9	67%	0.671	73%	0.725	S	S	*	*				65.2	162.9	122.9	71.5	0	0	0	0	119.6
146	P	56.2	Low	47.7	Very low	106 Å²	106	128.2 Å²	128.2	69%	0.688	75%	0.748	S	S	*	*			cis	-151.1	176.1	28.9	42.4	-19.9	0	0	0	119.3
147	S	43.2	Very low	46	Very low	116 Å²	116	133 Å²	133	81%	0.811	77%	0.77	S	S	*	*			trans	64.1	144.6	148.9	-58.9	0	0	0	0	119.9
148	S	45.9	Very low	44.9	Very low	101 Å²	101	136.7 Å²	136.7	71%	0.706	78%	0.784	S	S	*	*			cis	-175.4	154.7	-0.3	50.3	0	0	0	0	108.7
149	S	43.9	Very low	44.8	Very low	118 Å²	118	133.8 Å²	133.8	83%	0.825	78%	0.778	S	S	*	*			trans	70.1	133	169	74.7	0	0	0	0	115.6
150	S	45.9	Very low	45.1	Very low	109 Å²	109	134 Å²	134	76%	0.762	79%	0.785	S	S	*	*			cis	-162.2	152	44.2	-155.8	0	0	0	0	110.7	Q152	S150-Q152 PolarHBondContact O-N 2.84Å
151	L	52.3	Low	45.4	Very low	159 Å²	159	132 Å²	132	83%	0.832	78%	0.775	S	S	*	*			trans	-50	127.6	174.4	-67.6	161.4	0	0	0	111.6
152	Q	45.4	Very low	46.6	Very low	185 Å²	185	131.5 Å²	131.5	86%	0.864	77%	0.77	S	S	*	*			trans	-166.3	99.7	141.4	-102.8	151.1	74	0	0	112.3	S150	S150-Q152 PolarHBondContact O-N 2.84Å
153	K	46.2	Very low	47.9	Very low	196 Å²	196	131.3 Å²	131.3	85%	0.852	76%	0.762	S	S	*	*			trans	63.7	104.9	131.1	-148.9	167.6	-174.5	-178.8	0	117.1
154	M	55.9	Low	50.2	Low	159 Å²	159	126.4 Å²	126.4	78%	0.783	73%	0.731	S	S	*	*			trans	-50.7	152.3	152.3	-79	-157.6	165	0	0	110.7
155	P	51.2	Low	52	Low	121 Å²	121	126 Å²	126	79%	0.786	72%	0.718	S	S	*	*				-122.4	148.2	108.1	34.1	-29.5	0	0	0	112.3	N157	P155-N157 PolarHBondContact O-N 2.96Å
156	L	46.4	Very low	53.5	Low	155 Å²	155	127.7 Å²	127.7	81%	0.812	72%	0.715	S	S	*	*			trans	-50.1	127	165.2	-64.9	154.1	0	0	0	110.9
157	N	42.3	Very low	54.9	Low	147 Å²	147	124.1 Å²	124.1	79%	0.786	69%	0.691	S	S	*	*			trans	-152.8	94.7	151.2	-136.6	-91.5	0	0	0	107.8	P155	P155-N157 PolarHBondContact O-N 2.96Å
158	L	40.5	Very low	57	Low	149 Å²	149	122.4 Å²	122.4	78%	0.78	68%	0.676	S	S	*	*				73.8	113.1	98.5	-154.7	72.3	0	0	0	110.9	S160	L158-S160 PolarHBondContact O-N 3.02Å
159	V	46.1	Very low	59	Low	129 Å²	129	118.6 Å²	118.6	78%	0.782	65%	0.647	S	S	*	*			trans	-31	117.1	172.6	172.2	0	0	0	0	112.3
160	S	44.5	Very low	61.1	Low	109 Å²	109	118.6 Å²	118.6	76%	0.762	64%	0.638	S	S	*	*			trans	-141.6	111.8	144.4	-80.6	0	0	0	0	106.2	L158	L158-S160 PolarHBondContact O-N 3.02Å
161	Q	48	Very low	62.9	Low	156 Å²	156	114 Å²	114	73%	0.729	60%	0.604	S	S	*	*			trans	-44.1	131.4	168.7	-69.9	154.2	114.6	0	0	108.7	L163	Q161-L163 VanDerWaalsContact C-N 3.31Å; Q161-L163 PolarHBondContact O-N 2.65Å
162	P	53.1	Low	64.3	Low	90 Å²	90	113.5 Å²	113.5	58%	0.584	60%	0.603	S	S	*	*			trans	-71.2	100.9	158.2	26.9	-22.6	0	0	0	106	T164	P162-T164 WeakPolarHBondContact CB-OG1 3.45Å; P162-T164 PolarHBondContact O-N 2.98Å
163	L	68.8	Low	65.9	Low	113 Å²	113	107.9 Å²	107.9	59%	0.592	60%	0.595	S	S	*	*			trans	-69.8	36.5	155.6	-70.6	168.4	0	0	0	109.5	Q161 P211	Q161-L163 VanDerWaalsContact C-N 3.31Å; Q161-L163 PolarHBondContact O-N 2.65Å; L163-P211 VanDerWaalsContact O-CD 3.26Å; L163-P211 WeakPolarHBondContact O-CD 3.43Å
164	T	77.8	Confident	67.7	Low	33 Å²	33	99.6 Å²	99.6	20%	0.202	56%	0.56	C	S	.	*			trans	-117.1	133.9	-175	54.5	0	0	0	0	109.1	P162 K194 E208 Y209	P162-T164 WeakPolarHBondContact CB-OG1 3.45Å; P162-T164 PolarHBondContact O-N 2.98Å; T164-K194 HydrophobicContact CG2-CD 3.66Å; T164-E208 PolarHBondContact OG1-OE1 3.18Å; T164-Y209 CarbonylContact C-O 3.59Å; T164-Y209 VanDerWaalsContact CA-O 3.27Å; T164-Y209 WeakPolarHBondContact CA-O 3.34Å
165	Q	82.5	Confident	68.8	Low	99 Å²	99	98.2 Å²	98.2	46%	0.463	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104	141.5	-178.8	-175.8	171.8	-25.3	0	0	108.7	E208 Y209 P211	Q165-E208 WeakPolarHBondContact O-CA 3.46Å; Q165-Y209 HydrophobicContact CB-CE1 4.38Å; Q165-Y209 HydrophobicContact CG-CE1 4.47Å; Q165-Y209 PolarHBondContact N-O 3.05Å; Q165-Y209 WeakPolarHBondContact O-CD1 3.38Å; Q165-Y209 PolarHBondContact O-N 2.99Å; Q165-P211 HydrophobicContact CB-CG 4.33Å
166	E	87.2	Confident	70.4	Confident	132 Å²	132	95.5 Å²	95.5	62%	0.617	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	135.5	173.8	-173.3	177.3	78.1	0	0	109.8	T206 I207	E166-T206 VanDerWaalsContact CD-CG2 3.49Å; E166-T206 HydrophobicContact CG-CG2 3.54Å; E166-T206 WeakPolarHBondContact OE2-CG2 3.2Å; E166-I207 WeakPolarHBondContact CA-O 3.48Å
167	V	86.6	Confident	72.1	Confident	30 Å²	30	93 Å²	93	18%	0.182	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	140.2	170.1	66.1	0	0	0	0	110.2	I169 T206 I207 Y209 P216 L219	V167-I169 HydrophobicContact CG1-CD1 4.47Å; V167-I169 HydrophobicContact CG1-CG1 4.4Å; V167-I169 HydrophobicContact CG2-CG1 4.29Å; V167-T206 WeakPolarHBondContact O-CA 3.4Å; V167-I207 HydrophobicContact CG1-CB 4.08Å; V167-I207 PolarHBondContact N-O 3.07Å; V167-I207 PolarHBondContact O-N 3.25Å; V167-Y209 HydrophobicContact CB-CE1 3.84Å; V167-Y209 HydrophobicContact CG1-CD1 3.89Å; V167-Y209 HydrophobicContact CG1-CE1 3.47Å; V167-Y209 VanDerWaalsContact CG1-CE1 3.47Å; V167-P216 HydrophobicContact CG2-CB 4.34Å; V167-L219 HydrophobicContact CG1-CD1 4.47Å
168	V	87.6	Confident	74.2	Confident	80 Å²	80	89.4 Å²	89.4	49%	0.485	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.6	173.8	-176.6	0	0	0	0	108.4	T204 G205 T206	V168-T204 HydrophobicContact CG1-CG2 4.14Å; V168-G205 WeakPolarHBondContact CA-O 3.37Å; V168-T206 HydrophobicContact CG2-CG2 4.37Å
169	I	86.8	Confident	76.3	Confident	22 Å²	22	84.5 Å²	84.5	11%	0.113	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.6	-179.4	-54.6	-177.8	0	0	0	108.6	V167 T204 G205 I207 L219 I223	V167-I169 HydrophobicContact CG1-CD1 4.47Å; V167-I169 HydrophobicContact CG1-CG1 4.4Å; V167-I169 HydrophobicContact CG2-CG1 4.29Å; I169-T204 CarbonylContact O-C 3.55Å; I169-T204 VanDerWaalsContact O-CA 3.24Å; I169-T204 WeakPolarHBondContact O-CA 3.28Å; I169-G205 PolarHBondContact N-O 3.02Å; I169-G205 PolarHBondContact O-N 2.79Å; I169-I207 HydrophobicContact CD1-CD1 3.68Å; I169-I207 HydrophobicContact CG1-CD1 4.4Å; I169-L219 HydrophobicContact CD1-CB 4.31Å; I169-I223 HydrophobicContact CD1-CD1 3.94Å; I169-I223 HydrophobicContact CG2-CD1 4.3Å
170	N	87.3	Confident	78.3	Confident	118 Å²	118	78.7 Å²	78.7	63%	0.631	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	127.6	171.4	-63.7	83.4	0	0	0	109.5
171	I	85.4	Confident	80.4	Confident	11 Å²	11	80 Å²	80	6%	0.056	45%	0.454	C	S	.	.			trans	-119.2	108.1	-177.3	-47.9	174.9	0	0	0	108.2	M174 I183 V198 S203 I223	I171-M174 HydrophobicContact CB-CE 3.75Å; I171-M174 HydrophobicContact CB-CG 4.23Å; I171-M174 HydrophobicContact CB-SD 3.9Å; I171-M174 HydrophobicContact CD1-CE 4.34Å; I171-M174 HydrophobicContact CD1-SD 4.06Å; I171-M174 HydrophobicContact CG2-CE 4.22Å; I171-M174 HydrophobicContact CG2-CG 3.64Å; I171-M174 HydrophobicContact CG2-SD 3.74Å; I171-I183 HydrophobicContact CD1-CD1 4.5Å; I171-I183 HydrophobicContact CD1-CG2 4.22Å; I171-I183 HydrophobicContact CG2-CD1 4.13Å; I171-V198 HydrophobicContact CD1-CG1 4.21Å; I171-V198 HydrophobicContact CD1-CG2 4.29Å; I171-S203 PolarHBondContact N-O 3.36Å; I171-I223 HydrophobicContact CB-CG2 4.49Å; I171-I223 HydrophobicContact CD1-CD1 4.27Å; I171-I223 HydrophobicContact CD1-CG2 4.03Å; I171-I223 HydrophobicContact CG1-CG2 4.03Å; I171-I223 HydrophobicContact CG2-CG2 3.73Å
172	N	80.9	Confident	82.3	Confident	149 Å²	149	76.4 Å²	76.4	80%	0.797	45%	0.446	S	S	*	.			trans	-85.9	147.3	177.9	-64.5	85.4	0	0	0	110.6
173	G	79.7	Confident	84	Confident	68 Å²	68	73.3 Å²	73.3	70%	0.701	42%	0.424	S	S	*	.			trans	89.2	-2.8	174.7	0	0	0	0	0	115.8	T175	G173-T175 PolarHBondContact O-N 3.01Å; G173-T175 VanDerWaalsContact O-N 3.13Å; G173-T175 PolarHBondContact O-OG1 3.22Å
174	M	82.9	Confident	85.1	Confident	22 Å²	22	70.1 Å²	70.1	11%	0.108	41%	0.406	C	S	.	.			trans	-67.1	113.1	170.3	-60.5	-170.9	-60.1	0	0	109.9	I171 I183 V198 L200	I171-M174 HydrophobicContact CB-CE 3.75Å; I171-M174 HydrophobicContact CB-CG 4.23Å; I171-M174 HydrophobicContact CB-SD 3.9Å; I171-M174 HydrophobicContact CD1-CE 4.34Å; I171-M174 HydrophobicContact CD1-SD 4.06Å; I171-M174 HydrophobicContact CG2-CE 4.22Å; I171-M174 HydrophobicContact CG2-CG 3.64Å; I171-M174 HydrophobicContact CG2-SD 3.74Å; M174-I183 HydrophobicContact CG-CD1 3.84Å; M174-I183 HydrophobicContact SD-CD1 3.57Å; M174-I183 VanDerWaalsContact SD-CD1 3.57Å; M174-V198 HydrophobicContact CE-CG1 3.7Å; M174-V198 HydrophobicContact SD-CG1 3.34Å; M174-V198 WeakPolarHBondContact SD-CG1 3.46Å; M174-L200 HydrophobicContact CB-CD2 3.68Å
175	T	79.8	Confident	85.6	Confident	129 Å²	129	70 Å²	70	79%	0.791	41%	0.411	S	S	*	.			trans	-117.5	-10.9	-176	-34.6	0	0	0	0	112.4	G173	G173-T175 PolarHBondContact O-N 3.01Å; G173-T175 VanDerWaalsContact O-N 3.13Å; G173-T175 PolarHBondContact O-OG1 3.22Å
176	C	85.4	Confident	85.9	Confident	65 Å²	65	68.6 Å²	68.6	44%	0.439	41%	0.409	S	S	.	.	S	Bend	trans	-146.8	154.4	-176.3	-169.9	0	0	0	0	111.7	S178 C179	C176-S178 PolarHBondContact O-N 2.86Å; C176-S178 PolarHBondContact SG-OG 2.85Å; C176-S178 VanDerWaalsContact SG-OG 3.35Å; C176-C179 VanDerWaalsContact O-CB 3.32Å; C176-C179 WeakPolarHBondContact O-CB 3.29Å; C176-C179 PolarHBondContact O-N 3.32Å
177	N	81.3	Confident	86	Confident	102 Å²	102	62.3 Å²	62.3	55%	0.545	38%	0.38	S	S	.	.	H	α-helix	trans	-61.9	-23.6	176.3	-150	41.5	0	0	0	113	C179 V180 Q181 L200	N177-C179 VanDerWaalsContact C-N 3.32Å; N177-V180 WeakPolarHBondContact O-CB 3.13Å; N177-V180 PolarHBondContact O-N 2.91Å; N177-Q181 PolarHBondContact O-N 3.09Å; N177-L200 HydrophobicContact CB-CD1 4.28Å
178	S	86.1	Confident	86.1	Confident	71 Å²	71	64.3 Å²	64.3	50%	0.497	40%	0.395	S	S	.	.	H	α-helix	trans	-63	-37.5	171.1	54	0	0	0	0	112.3	C176 Q181 S182	C176-S178 PolarHBondContact O-N 2.86Å; C176-S178 PolarHBondContact SG-OG 2.85Å; C176-S178 VanDerWaalsContact SG-OG 3.35Å; S178-Q181 PolarHBondContact O-N 2.92Å; S178-S182 PolarHBondContact O-N 3.07Å; S178-S182 PolarHBondContact O-OG 3.34Å
179	C	84.9	Confident	86.1	Confident	47 Å²	47	69.1 Å²	69.1	32%	0.318	41%	0.41	S	S	.	.	H	α-helix	trans	-65.9	-42.4	177.7	-58.4	0	0	0	0	111.1	C176 N177 Q181 S182 I183	C176-C179 VanDerWaalsContact O-CB 3.32Å; C176-C179 WeakPolarHBondContact O-CB 3.29Å; C176-C179 PolarHBondContact O-N 3.32Å; N177-C179 VanDerWaalsContact C-N 3.32Å; C179-Q181 VanDerWaalsContact C-N 3.33Å; C179-Q181 PolarHBondContact O-N 3.44Å; C179-S182 PolarHBondContact O-N 3.48Å; C179-I183 WeakPolarHBondContact O-CD1 3.41Å; C179-I183 WeakPolarHBondContact O-CG1 3.2Å; C179-I183 PolarHBondContact O-N 2.93Å
180	V	88.1	Confident	86.1	Confident	7 Å²	7	72 Å²	72	4%	0.042	42%	0.421	C	S	.	.	H	α-helix	trans	-53.7	-52.6	175.3	-177.8	0	0	0	0	110.2	N177 S182 I183 E184 V198 L200	N177-V180 WeakPolarHBondContact O-CB 3.13Å; N177-V180 PolarHBondContact O-N 2.91Å; V180-S182 VanDerWaalsContact C-N 3.33Å; V180-S182 PolarHBondContact O-N 3Å; V180-I183 PolarHBondContact O-N 2.76Å; V180-I183 VanDerWaalsContact O-N 3.15Å; V180-E184 HydrophobicContact CG1-CG 4.41Å; V180-E184 WeakPolarHBondContact O-CB 3.26Å; V180-E184 WeakPolarHBondContact O-CG 3.38Å; V180-E184 PolarHBondContact O-N 3.24Å; V180-V198 HydrophobicContact CB-CG1 4.32Å; V180-V198 HydrophobicContact CG1-CB 3.63Å; V180-V198 HydrophobicContact CG1-CG1 3.83Å; V180-V198 HydrophobicContact CG2-CG1 4.3Å; V180-L200 HydrophobicContact CG2-CD1 3.56Å; V180-L200 HydrophobicContact CG2-CD2 3.48Å; V180-L200 VanDerWaalsContact CG2-CD2 3.48Å; V180-L200 HydrophobicContact CG2-CG 3.27Å
181	Q	88.1	Confident	85.9	Confident	137 Å²	137	71 Å²	71	64%	0.64	42%	0.421	S	S	*	.	H	α-helix	trans	-68.8	-34	-174	-150	158.9	75.4	0	0	112.1	N177 S178 C179 G185	N177-Q181 PolarHBondContact O-N 3.09Å; S178-Q181 PolarHBondContact O-N 2.92Å; C179-Q181 VanDerWaalsContact C-N 3.33Å; C179-Q181 PolarHBondContact O-N 3.44Å; Q181-G185 PolarHBondContact O-N 3.47Å
182	S	89.3	Confident	85.9	Confident	79 Å²	79	71.3 Å²	71.3	55%	0.552	43%	0.428	S	S	*	.	H	α-helix	trans	-61.5	-49	169.8	-69.7	0	0	0	0	111.6	S178 C179 V180 G185 V186	S178-S182 PolarHBondContact O-N 3.07Å; S178-S182 PolarHBondContact O-OG 3.34Å; C179-S182 PolarHBondContact O-N 3.48Å; V180-S182 VanDerWaalsContact C-N 3.33Å; V180-S182 PolarHBondContact O-N 3Å; S182-G185 PolarHBondContact O-N 2.77Å; S182-V186 VanDerWaalsContact O-CG2 3.31Å; S182-V186 WeakPolarHBondContact O-CG2 3.21Å; S182-V186 PolarHBondContact O-N 2.81Å
183	I	88.4	Confident	86.2	Confident	25 Å²	25	65.2 Å²	65.2	13%	0.128	40%	0.395	C	S	.	.	H	α-helix	trans	-64.2	-49.4	-179.3	-64.7	158.9	0	0	0	110.8	I171 M174 C179 V180 G185 V186 I187 I196 V198 I223	I171-I183 HydrophobicContact CD1-CD1 4.5Å; I171-I183 HydrophobicContact CD1-CG2 4.22Å; I171-I183 HydrophobicContact CG2-CD1 4.13Å; M174-I183 HydrophobicContact CG-CD1 3.84Å; M174-I183 HydrophobicContact SD-CD1 3.57Å; M174-I183 VanDerWaalsContact SD-CD1 3.57Å; C179-I183 WeakPolarHBondContact O-CD1 3.41Å; C179-I183 WeakPolarHBondContact O-CG1 3.2Å; C179-I183 PolarHBondContact O-N 2.93Å; V180-I183 PolarHBondContact O-N 2.76Å; V180-I183 VanDerWaalsContact O-N 3.15Å; I183-G185 VanDerWaalsContact C-N 3.26Å; I183-G185 PolarHBondContact O-N 3.19Å; I183-V186 PolarHBondContact O-N 3.17Å; I183-I187 HydrophobicContact CG2-CG1 4.24Å; I183-I187 WeakPolarHBondContact O-CG1 3.43Å; I183-I187 PolarHBondContact O-N 3.45Å; I183-I196 HydrophobicContact CG2-CD1 4.32Å; I183-V198 HydrophobicContact CG2-CG2 4.04Å; I183-I223 HydrophobicContact CG2-CG1 4.14Å; I183-I223 HydrophobicContact CG2-CG2 4.33Å
184	E	91.1	Very high	86.6	Confident	46 Å²	46	68 Å²	68	22%	0.215	39%	0.388	C	S	.	.	H	α-helix	trans	-55.8	-43.2	175.4	-71.8	-177.6	140.6	0	0	111.2	V180 S188 I196 H197 V198	V180-E184 HydrophobicContact CG1-CG 4.41Å; V180-E184 WeakPolarHBondContact O-CB 3.26Å; V180-E184 WeakPolarHBondContact O-CG 3.38Å; V180-E184 PolarHBondContact O-N 3.24Å; E184-S188 WeakPolarHBondContact O-CB 3.27Å; E184-S188 PolarHBondContact O-N 2.81Å; E184-I196 HydrophobicContact CB-CG2 4.15Å; E184-I196 HydrophobicContact CG-CG1 4.27Å; E184-I196 HydrophobicContact CG-CG2 4.35Å; E184-I196 WeakPolarHBondContact O-CG2 3.36Å; E184-H197 WeakPolarHBondContact OE1-CA 3.44Å; E184-H197 IonicContact OE1-ND1 3Å; E184-V198 HydrophobicContact CG-CB 3.95Å; E184-V198 HydrophobicContact CG-CG2 3.66Å; E184-V198 PolarHBondContact OE1-N 3.21Å
185	G	87.5	Confident	86.7	Confident	30 Å²	30	70.1 Å²	70.1	31%	0.309	41%	0.406	S	S	.	.	H	α-helix	trans	-67.9	-33.4	178.6	0	0	0	0	0	114.7	Q181 S182 I183 K189	Q181-G185 PolarHBondContact O-N 3.47Å; S182-G185 PolarHBondContact O-N 2.77Å; I183-G185 VanDerWaalsContact C-N 3.26Å; I183-G185 PolarHBondContact O-N 3.19Å; G185-K189 VanDerWaalsContact O-CD 3.28Å; G185-K189 WeakPolarHBondContact O-CD 3.39Å; G185-K189 WeakPolarHBondContact O-CE 3.39Å; G185-K189 VanDerWaalsContact O-CG 3.29Å; G185-K189 WeakPolarHBondContact O-CG 3.42Å
186	V	89.3	Confident	87.2	Confident	71 Å²	71	64.9 Å²	64.9	43%	0.43	37%	0.372	S	S	.	.	H	α-helix	trans	-74.5	-48.6	176.8	170.4	0	0	0	0	110.3	S182 I183 K189	S182-V186 VanDerWaalsContact O-CG2 3.31Å; S182-V186 WeakPolarHBondContact O-CG2 3.21Å; S182-V186 PolarHBondContact O-N 2.81Å; I183-V186 PolarHBondContact O-N 3.17Å; V186-K189 PolarHBondContact O-N 3.37Å
187	I	89.2	Confident	87.4	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-73.3	-36.1	-175.4	-58.8	-61.8	0	0	0	112	I183 K189 K190 V193 I196 I207 L219 A222 I223	I183-I187 HydrophobicContact CG2-CG1 4.24Å; I183-I187 WeakPolarHBondContact O-CG1 3.43Å; I183-I187 PolarHBondContact O-N 3.45Å; I187-K189 PolarHBondContact O-N 3.43Å; I187-K189 VanDerWaalsContact O-N 3.07Å; I187-K190 WeakPolarHBondContact O-CB 3.38Å; I187-K190 PolarHBondContact O-N 2.81Å; I187-V193 HydrophobicContact CG2-CG1 4.19Å; I187-V193 HydrophobicContact CG2-CG2 4.06Å; I187-V193 WeakPolarHBondContact O-CB 3.24Å; I187-V193 WeakPolarHBondContact O-CG2 3.43Å; I187-I196 HydrophobicContact CB-CD1 3.46Å; I187-I196 VanDerWaalsContact CB-CD1 3.46Å; I187-I196 HydrophobicContact CB-CG2 4.47Å; I187-I196 HydrophobicContact CG1-CD1 3.79Å; I187-I196 HydrophobicContact CG2-CB 4.32Å; I187-I196 HydrophobicContact CG2-CD1 3.63Å; I187-I196 HydrophobicContact CG2-CG1 4.47Å; I187-I207 HydrophobicContact CG2-CD1 4.05Å; I187-I207 HydrophobicContact CG2-CG1 4.29Å; I187-I207 HydrophobicContact CG2-CG2 4.27Å; I187-L219 HydrophobicContact CG2-CD2 4.04Å; I187-A222 HydrophobicContact CD1-CB 3.47Å; I187-A222 VanDerWaalsContact CD1-CB 3.47Å; I187-I223 HydrophobicContact CD1-CD1 4.37Å; I187-I223 HydrophobicContact CD1-CG1 3.67Å; I187-I223 HydrophobicContact CG1-CD1 4.43Å; I187-I223 HydrophobicContact CG1-CG1 3.9Å
188	S	88.9	Confident	87.8	Confident	72 Å²	72	63.2 Å²	63.2	50%	0.503	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.1	174.5	-177.9	0	0	0	0	113.4	E184	E184-S188 WeakPolarHBondContact O-CB 3.27Å; E184-S188 PolarHBondContact O-N 2.81Å
189	K	87.9	Confident	87.7	Confident	180 Å²	180	61.1 Å²	61.1	78%	0.783	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-7.3	177.3	-67.3	172.5	-172.5	174.1	0	113.1	G185 V186 I187	G185-K189 VanDerWaalsContact O-CD 3.28Å; G185-K189 WeakPolarHBondContact O-CD 3.39Å; G185-K189 WeakPolarHBondContact O-CE 3.39Å; G185-K189 VanDerWaalsContact O-CG 3.29Å; G185-K189 WeakPolarHBondContact O-CG 3.42Å; V186-K189 PolarHBondContact O-N 3.37Å; I187-K189 PolarHBondContact O-N 3.43Å; I187-K189 VanDerWaalsContact O-N 3.07Å
190	K	86.7	Confident	87.6	Confident	83 Å²	83	61.7 Å²	61.7	36%	0.361	34%	0.34	S	S	.	.	S	Bend	trans	-73.9	142	-179.9	-69.5	-78.5	177.6	159.7	0	110.2	I187 G192 V193 L219 A222	I187-K190 WeakPolarHBondContact O-CB 3.38Å; I187-K190 PolarHBondContact O-N 2.81Å; K190-G192 PolarHBondContact O-N 3.26Å; K190-V193 HydrophobicContact CB-CG2 3.86Å; K190-V193 PolarHBondContact O-N 2.82Å; K190-L219 HydrophobicContact CB-CD2 4.49Å; K190-A222 HydrophobicContact CD-CB 4.38Å; K190-A222 VanDerWaalsContact CE-CB 3.46Å
191	P	82.7	Confident	87.3	Confident	96 Å²	96	67.7 Å²	67.7	62%	0.623	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	135.5	179.7	27.2	-34.2	0	0	0	110.4	V193 T214	P191-V193 VanDerWaalsContact C-N 3.29Å; P191-V193 PolarHBondContact O-N 3.16Å; P191-T214 WeakPolarHBondContact O-CB 3.06Å; P191-T214 PolarHBondContact O-OG1 3.43Å
192	G	85.5	Confident	86.9	Confident	19 Å²	19	66.4 Å²	66.4	20%	0.196	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-3.9	180	0	0	0	0	0	115.1	K190 Y209 D210	K190-G192 PolarHBondContact O-N 3.26Å; G192-Y209 CarbonylContact O-C 3.47Å; G192-Y209 WeakPolarHBondContact O-CA 3.47Å; G192-Y209 WeakPolarHBondContact O-CB 3.34Å; G192-D210 PolarHBondContact O-N 3.27Å
193	V	88.4	Confident	86.7	Confident	20 Å²	20	65.2 Å²	65.2	12%	0.121	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	129.6	170.1	178.4	0	0	0	0	109.4	I187 K190 P191 I207 L219	I187-V193 HydrophobicContact CG2-CG1 4.19Å; I187-V193 HydrophobicContact CG2-CG2 4.06Å; I187-V193 WeakPolarHBondContact O-CB 3.24Å; I187-V193 WeakPolarHBondContact O-CG2 3.43Å; K190-V193 HydrophobicContact CB-CG2 3.86Å; K190-V193 PolarHBondContact O-N 2.82Å; P191-V193 VanDerWaalsContact C-N 3.29Å; P191-V193 PolarHBondContact O-N 3.16Å; V193-I207 HydrophobicContact CG1-CG2 4.01Å; V193-I207 HydrophobicContact CG2-CG2 4.35Å; V193-L219 HydrophobicContact CG2-CD2 3.49Å; V193-L219 VanDerWaalsContact CG2-CD2 3.49Å
194	K	87.9	Confident	86.6	Confident	127 Å²	127	65 Å²	65	55%	0.552	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	-37.6	-179.8	-168.7	169.9	162.7	-134.3	0	112.1	T164 E208	T164-K194 HydrophobicContact CG2-CD 3.66Å; K194-E208 HydrophobicContact CB-CG 4.35Å; K194-E208 VanDerWaalsContact CD-OE1 3.28Å; K194-E208 WeakPolarHBondContact CD-OE1 3.36Å; K194-E208 WeakPolarHBondContact CE-OE1 3.33Å; K194-E208 PolarHBondContact N-O 3.32Å; K194-E208 IonicContact NZ-OE1 3.14Å; K194-E208 PolarHBondContact NZ-OE1 3.07Å
195	S	85.4	Confident	86.5	Confident	67 Å²	67	62.8 Å²	62.8	47%	0.469	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	147.7	174.1	-167.4	0	0	0	0	110.7	I207 E208	S195-I207 WeakPolarHBondContact O-CA 3.2Å; S195-E208 PolarHBondContact N-O 2.94Å; S195-E208 VanDerWaalsContact N-O 3.16Å; S195-E208 PolarHBondContact O-N 2.84Å
196	I	89.5	Confident	86.5	Confident	19 Å²	19	63.2 Å²	63.2	10%	0.097	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.2	169.3	176.6	168.2	0	0	0	109	I183 E184 I187 V198 T206 I207	I183-I196 HydrophobicContact CG2-CD1 4.32Å; E184-I196 HydrophobicContact CB-CG2 4.15Å; E184-I196 HydrophobicContact CG-CG1 4.27Å; E184-I196 HydrophobicContact CG-CG2 4.35Å; E184-I196 WeakPolarHBondContact O-CG2 3.36Å; I187-I196 HydrophobicContact CB-CD1 3.46Å; I187-I196 VanDerWaalsContact CB-CD1 3.46Å; I187-I196 HydrophobicContact CB-CG2 4.47Å; I187-I196 HydrophobicContact CG1-CD1 3.79Å; I187-I196 HydrophobicContact CG2-CB 4.32Å; I187-I196 HydrophobicContact CG2-CD1 3.63Å; I187-I196 HydrophobicContact CG2-CG1 4.47Å; I196-V198 HydrophobicContact CD1-CG2 3.86Å; I196-V198 HydrophobicContact CG1-CG2 4.04Å; I196-T206 CarbonylContact C-O 3.5Å; I196-T206 WeakPolarHBondContact CA-O 3.47Å; I196-I207 HydrophobicContact CB-CG1 4.26Å; I196-I207 HydrophobicContact CD1-CD1 4.25Å; I196-I207 HydrophobicContact CD1-CG1 3.84Å; I196-I207 HydrophobicContact CG1-CG1 3.83Å
197	H	89.3	Confident	86.6	Confident	123 Å²	123	59.9 Å²	59.9	57%	0.569	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	126.5	171.1	-170	59.2	0	0	0	110.8	E184 G205 T206	E184-H197 WeakPolarHBondContact OE1-CA 3.44Å; E184-H197 IonicContact OE1-ND1 3Å; H197-G205 CarbonylContact O-C 3.59Å; H197-G205 WeakPolarHBondContact O-CA 3.44Å; H197-T206 PolarHBondContact N-O 2.94Å; H197-T206 PolarHBondContact O-N 2.96Å
198	V	88.8	Confident	86.6	Confident	8 Å²	8	62.7 Å²	62.7	5%	0.048	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.3	-179.4	176.6	0	0	0	0	111	I171 M174 V180 I183 E184 I196	I171-V198 HydrophobicContact CD1-CG1 4.21Å; I171-V198 HydrophobicContact CD1-CG2 4.29Å; M174-V198 HydrophobicContact CE-CG1 3.7Å; M174-V198 HydrophobicContact SD-CG1 3.34Å; M174-V198 WeakPolarHBondContact SD-CG1 3.46Å; V180-V198 HydrophobicContact CB-CG1 4.32Å; V180-V198 HydrophobicContact CG1-CB 3.63Å; V180-V198 HydrophobicContact CG1-CG1 3.83Å; V180-V198 HydrophobicContact CG2-CG1 4.3Å; I183-V198 HydrophobicContact CG2-CG2 4.04Å; E184-V198 HydrophobicContact CG-CB 3.95Å; E184-V198 HydrophobicContact CG-CG2 3.66Å; E184-V198 PolarHBondContact OE1-N 3.21Å; I196-V198 HydrophobicContact CD1-CG2 3.86Å; I196-V198 HydrophobicContact CG1-CG2 4.04Å
199	S	84.6	Confident	86.7	Confident	27 Å²	27	59.5 Å²	59.5	19%	0.189	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	114.6	179.5	-179.3	0	0	0	0	110.9	N202 S203 T204	S199-N202 PolarHBondContact OG-N 2.84Å; S199-S203 WeakPolarHBondContact O-CA 3.39Å; S199-S203 PolarHBondContact O-N 3.32Å; S199-T204 PolarHBondContact N-O 3.13Å; S199-T204 PolarHBondContact O-N 3.01Å; S199-T204 VanDerWaalsContact O-N 3.09Å
200	L	83.9	Confident	86.7	Confident	59 Å²	59	52.7 Å²	52.7	31%	0.309	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-41.9	171.8	-76	168.4	0	0	0	112	M174 N177 V180 N202 S203	M174-L200 HydrophobicContact CB-CD2 3.68Å; N177-L200 HydrophobicContact CB-CD1 4.28Å; V180-L200 HydrophobicContact CG2-CD1 3.56Å; V180-L200 HydrophobicContact CG2-CD2 3.48Å; V180-L200 VanDerWaalsContact CG2-CD2 3.48Å; V180-L200 HydrophobicContact CG2-CG 3.27Å; L200-N202 VanDerWaalsContact C-N 3.26Å; L200-N202 PolarHBondContact O-N 2.74Å; L200-S203 PolarHBondContact O-N 3.44Å; L200-S203 VanDerWaalsContact O-N 3.12Å; L200-S203 PolarHBondContact O-OG 3.12Å
201	T	82.1	Confident	86.6	Confident	134 Å²	134	51.7 Å²	51.7	82%	0.822	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-42.4	-177.4	-50.6	0	0	0	0	111.3
202	N	78.2	Confident	86.6	Confident	110 Å²	110	53.6 Å²	53.6	59%	0.588	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-7.4	-179.7	-63	-18.8	0	0	0	112.7	S199 L200 T204	S199-N202 PolarHBondContact OG-N 2.84Å; L200-N202 VanDerWaalsContact C-N 3.26Å; L200-N202 PolarHBondContact O-N 2.74Å; N202-T204 HydrophobicContact CB-CG2 4.42Å; N202-T204 WeakPolarHBondContact CB-OG1 3.33Å; N202-T204 WeakPolarHBondContact O-CG2 3.49Å; N202-T204 PolarHBondContact O-N 3.44Å
203	S	84.9	Confident	86.4	Confident	54 Å²	54	58.5 Å²	58.5	38%	0.378	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	42.4	-171.7	-59	0	0	0	0	112.5	I171 S199 L200	I171-S203 PolarHBondContact N-O 3.36Å; S199-S203 WeakPolarHBondContact O-CA 3.39Å; S199-S203 PolarHBondContact O-N 3.32Å; L200-S203 PolarHBondContact O-N 3.44Å; L200-S203 VanDerWaalsContact O-N 3.12Å; L200-S203 PolarHBondContact O-OG 3.12Å
204	T	86.4	Confident	86.1	Confident	20 Å²	20	58.4 Å²	58.4	12%	0.123	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.9	-176.4	54.3	0	0	0	0	111.8	V168 I169 S199 N202	V168-T204 HydrophobicContact CG1-CG2 4.14Å; I169-T204 CarbonylContact O-C 3.55Å; I169-T204 VanDerWaalsContact O-CA 3.24Å; I169-T204 WeakPolarHBondContact O-CA 3.28Å; S199-T204 PolarHBondContact N-O 3.13Å; S199-T204 PolarHBondContact O-N 3.01Å; S199-T204 VanDerWaalsContact O-N 3.09Å; N202-T204 HydrophobicContact CB-CG2 4.42Å; N202-T204 WeakPolarHBondContact CB-OG1 3.33Å; N202-T204 WeakPolarHBondContact O-CG2 3.49Å; N202-T204 PolarHBondContact O-N 3.44Å
205	G	89	Confident	85.9	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125.2	168.2	0	0	0	0	0	111.6	V168 I169 H197	V168-G205 WeakPolarHBondContact CA-O 3.37Å; I169-G205 PolarHBondContact N-O 3.02Å; I169-G205 PolarHBondContact O-N 2.79Å; H197-G205 CarbonylContact O-C 3.59Å; H197-G205 WeakPolarHBondContact O-CA 3.44Å
206	T	88.3	Confident	85.8	Confident	39 Å²	39	54.5 Å²	54.5	24%	0.239	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.3	173.5	-56.5	0	0	0	0	109.2	E166 V167 V168 I196 H197	E166-T206 VanDerWaalsContact CD-CG2 3.49Å; E166-T206 HydrophobicContact CG-CG2 3.54Å; E166-T206 WeakPolarHBondContact OE2-CG2 3.2Å; V167-T206 WeakPolarHBondContact O-CA 3.4Å; V168-T206 HydrophobicContact CG2-CG2 4.37Å; I196-T206 CarbonylContact C-O 3.5Å; I196-T206 WeakPolarHBondContact CA-O 3.47Å; H197-T206 PolarHBondContact N-O 2.94Å; H197-T206 PolarHBondContact O-N 2.96Å
207	I	90.9	Very high	85.5	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126	-175.2	-56.5	159.5	0	0	0	109.3	E166 V167 I169 I187 V193 S195 I196 Y209 L219 I223	E166-I207 WeakPolarHBondContact CA-O 3.48Å; V167-I207 HydrophobicContact CG1-CB 4.08Å; V167-I207 PolarHBondContact N-O 3.07Å; V167-I207 PolarHBondContact O-N 3.25Å; I169-I207 HydrophobicContact CD1-CD1 3.68Å; I169-I207 HydrophobicContact CG1-CD1 4.4Å; I187-I207 HydrophobicContact CG2-CD1 4.05Å; I187-I207 HydrophobicContact CG2-CG1 4.29Å; I187-I207 HydrophobicContact CG2-CG2 4.27Å; V193-I207 HydrophobicContact CG1-CG2 4.01Å; V193-I207 HydrophobicContact CG2-CG2 4.35Å; S195-I207 WeakPolarHBondContact O-CA 3.2Å; I196-I207 HydrophobicContact CB-CG1 4.26Å; I196-I207 HydrophobicContact CD1-CD1 4.25Å; I196-I207 HydrophobicContact CD1-CG1 3.84Å; I196-I207 HydrophobicContact CG1-CG1 3.83Å; I207-Y209 HydrophobicContact CG2-CD1 4.46Å; I207-L219 HydrophobicContact CD1-CB 4.39Å; I207-L219 HydrophobicContact CD1-CD1 4.47Å; I207-L219 HydrophobicContact CG2-CD1 4.02Å; I207-I223 HydrophobicContact CD1-CD1 4.23Å
208	E	89.9	Confident	85.3	Confident	60 Å²	60	56.4 Å²	56.4	28%	0.28	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	117.5	168.2	-177.1	174.9	108.8	0	0	108.8	T164 Q165 K194 S195	T164-E208 PolarHBondContact OG1-OE1 3.18Å; Q165-E208 WeakPolarHBondContact O-CA 3.46Å; K194-E208 HydrophobicContact CB-CG 4.35Å; K194-E208 VanDerWaalsContact CD-OE1 3.28Å; K194-E208 WeakPolarHBondContact CD-OE1 3.36Å; K194-E208 WeakPolarHBondContact CE-OE1 3.33Å; K194-E208 PolarHBondContact N-O 3.32Å; K194-E208 IonicContact NZ-OE1 3.14Å; K194-E208 PolarHBondContact NZ-OE1 3.07Å; S195-E208 PolarHBondContact N-O 2.94Å; S195-E208 VanDerWaalsContact N-O 3.16Å; S195-E208 PolarHBondContact O-N 2.84Å
209	Y	89.8	Confident	85.2	Confident	5 Å²	5	56.1 Å²	56.1	2%	0.02	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	160.5	-178.4	70.8	-82.4	0	0	0	112.2	T164 Q165 V167 G192 I207 P211 T214 L219	T164-Y209 CarbonylContact C-O 3.59Å; T164-Y209 VanDerWaalsContact CA-O 3.27Å; T164-Y209 WeakPolarHBondContact CA-O 3.34Å; Q165-Y209 HydrophobicContact CB-CE1 4.38Å; Q165-Y209 HydrophobicContact CG-CE1 4.47Å; Q165-Y209 PolarHBondContact N-O 3.05Å; Q165-Y209 WeakPolarHBondContact O-CD1 3.38Å; Q165-Y209 PolarHBondContact O-N 2.99Å; V167-Y209 HydrophobicContact CB-CE1 3.84Å; V167-Y209 HydrophobicContact CG1-CD1 3.89Å; V167-Y209 HydrophobicContact CG1-CE1 3.47Å; V167-Y209 VanDerWaalsContact CG1-CE1 3.47Å; G192-Y209 CarbonylContact O-C 3.47Å; G192-Y209 WeakPolarHBondContact O-CA 3.47Å; G192-Y209 WeakPolarHBondContact O-CB 3.34Å; I207-Y209 HydrophobicContact CG2-CD1 4.46Å; Y209-P211 HydrophobicContact CE2-CB 4.24Å; Y209-T214 HydrophobicContact CD2-CG2 3.82Å; Y209-T214 WeakPolarHBondContact CD2-O 3.32Å; Y209-T214 WeakPolarHBondContact CE2-O 3.22Å; Y209-T214 HydrophobicContact CG-CG2 4.19Å; Y209-L219 HydrophobicContact CD1-CD1 3.8Å; Y209-L219 HydrophobicContact CD2-CD1 4.45Å; Y209-L219 HydrophobicContact CE1-CD1 4.3Å; Y209-L219 HydrophobicContact CG-CD1 3.89Å
210	D	88.5	Confident	85.2	Confident	36 Å²	36	60.8 Å²	60.8	19%	0.193	33%	0.333	C	S	.	.			trans	-86.9	115	173	-172.6	-23.7	0	0	0	110.1	G192 L212 L213 T214	G192-D210 PolarHBondContact O-N 3.27Å; D210-L212 PolarHBondContact O-N 2.9Å; D210-L212 VanDerWaalsContact O-N 3.16Å; D210-L212 VanDerWaalsContact OD1-CB 3.25Å; D210-L212 WeakPolarHBondContact OD1-CB 3.38Å; D210-L212 PolarHBondContact OD1-N 2.98Å; D210-L213 HydrophobicContact CB-CB 4.3Å; D210-L213 HydrophobicContact CB-CD1 4.24Å; D210-L213 HydrophobicContact CB-CG 4.34Å; D210-L213 PolarHBondContact O-N 3.48Å; D210-T214 PolarHBondContact O-N 3.43Å
211	P	84.3	Confident	85.3	Confident	62 Å²	62	64.7 Å²	64.7	40%	0.403	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-11.9	-179.3	30.1	-35.1	0	0	0	113.7	L163 Q165 Y209 T214	L163-P211 VanDerWaalsContact O-CD 3.26Å; L163-P211 WeakPolarHBondContact O-CD 3.43Å; Q165-P211 HydrophobicContact CB-CG 4.33Å; Y209-P211 HydrophobicContact CE2-CB 4.24Å; P211-T214 WeakPolarHBondContact CA-O 3.36Å
212	L	82.5	Confident	85.3	Confident	137 Å²	137	58.8 Å²	58.8	72%	0.717	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-21.8	173.4	-57.8	176.6	0	0	0	112.5	D210	D210-L212 PolarHBondContact O-N 2.9Å; D210-L212 VanDerWaalsContact O-N 3.16Å; D210-L212 VanDerWaalsContact OD1-CB 3.25Å; D210-L212 WeakPolarHBondContact OD1-CB 3.38Å; D210-L212 PolarHBondContact OD1-N 2.98Å
213	L	81	Confident	85.6	Confident	121 Å²	121	54.9 Å²	54.9	63%	0.634	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-31.3	-175.3	-65.1	178.2	0	0	0	113.1	D210	D210-L213 HydrophobicContact CB-CB 4.3Å; D210-L213 HydrophobicContact CB-CD1 4.24Å; D210-L213 HydrophobicContact CB-CG 4.34Å; D210-L213 PolarHBondContact O-N 3.48Å
214	T	82	Confident	85.4	Confident	19 Å²	19	59.4 Å²	59.4	12%	0.117	31%	0.309	C	S	.	.			trans	-144.2	146.8	-175.6	-100.3	0	0	0	0	110.3	P191 Y209 D210 P211 L219	P191-T214 WeakPolarHBondContact O-CB 3.06Å; P191-T214 PolarHBondContact O-OG1 3.43Å; Y209-T214 HydrophobicContact CD2-CG2 3.82Å; Y209-T214 WeakPolarHBondContact CD2-O 3.32Å; Y209-T214 WeakPolarHBondContact CE2-O 3.22Å; Y209-T214 HydrophobicContact CG-CG2 4.19Å; D210-T214 PolarHBondContact O-N 3.43Å; P211-T214 WeakPolarHBondContact CA-O 3.36Å; T214-L219 HydrophobicContact CG2-CD1 3.73Å; T214-L219 HydrophobicContact CG2-CD2 3.93Å; T214-L219 HydrophobicContact CG2-CG 3.71Å
215	S	85	Confident	84.5	Confident	56 Å²	56	68 Å²	68	39%	0.392	35%	0.354	S	S	.	.			trans	-109	164.6	174.9	60.3	0	0	0	0	110.5	E217 P218	S215-E217 VanDerWaalsContact C-N 3.27Å; S215-E217 PolarHBondContact O-N 3.43Å; S215-P218 WeakPolarHBondContact O-CD 3.39Å; S215-P218 WeakPolarHBondContact O-CG 3.31Å; S215-P218 WeakPolarHBondContact OG-CD 3.48Å
216	P	82.6	Confident	84.3	Confident	55 Å²	55	71.4 Å²	71.4	36%	0.357	37%	0.371	S	S	.	.	H	α-helix	trans	-70	-21.3	-178.5	26.3	-33.8	0	0	0	113.7	V167 L219 R220	V167-P216 HydrophobicContact CG2-CB 4.34Å; P216-L219 PolarHBondContact O-N 3.2Å; P216-R220 PolarHBondContact O-N 3.19Å; P216-R220 VanDerWaalsContact O-N 3.08Å
217	E	84.6	Confident	84.1	Confident	130 Å²	130	73.1 Å²	73.1	61%	0.607	38%	0.378	S	S	*	.	H	α-helix	trans	-63	-52.5	178.7	-59.2	-162.8	96.2	0	0	114.2	S215 L219 R220 E221	S215-E217 VanDerWaalsContact C-N 3.27Å; S215-E217 PolarHBondContact O-N 3.43Å; E217-L219 PolarHBondContact O-N 2.98Å; E217-R220 WeakPolarHBondContact O-CB 3.39Å; E217-R220 PolarHBondContact O-N 3.06Å; E217-E221 PolarHBondContact O-N 3.29Å
218	P	84.6	Confident	83.7	Confident	53 Å²	53	77.1 Å²	77.1	34%	0.344	40%	0.399	S	S	.	.	H	α-helix	trans	-67.4	-24.2	176.9	26.7	-37.2	0	0	0	113.3	S215 A222	S215-P218 WeakPolarHBondContact O-CD 3.39Å; S215-P218 WeakPolarHBondContact O-CG 3.31Å; S215-P218 WeakPolarHBondContact OG-CD 3.48Å; P218-A222 VanDerWaalsContact O-CB 3.29Å; P218-A222 WeakPolarHBondContact O-CB 3.4Å; P218-A222 PolarHBondContact O-N 3.34Å
219	L	86.1	Confident	83.3	Confident	1 Å²	1	78.1 Å²	78.1	1%	0.005	41%	0.406	C	S	.	.	H	α-helix	trans	-69.3	-41.9	173.1	-66.8	175.7	0	0	0	111	V167 I169 I187 K190 V193 I207 Y209 T214 P216 E217 A222 I223	V167-L219 HydrophobicContact CG1-CD1 4.47Å; I169-L219 HydrophobicContact CD1-CB 4.31Å; I187-L219 HydrophobicContact CG2-CD2 4.04Å; K190-L219 HydrophobicContact CB-CD2 4.49Å; V193-L219 HydrophobicContact CG2-CD2 3.49Å; V193-L219 VanDerWaalsContact CG2-CD2 3.49Å; I207-L219 HydrophobicContact CD1-CB 4.39Å; I207-L219 HydrophobicContact CD1-CD1 4.47Å; I207-L219 HydrophobicContact CG2-CD1 4.02Å; Y209-L219 HydrophobicContact CD1-CD1 3.8Å; Y209-L219 HydrophobicContact CD2-CD1 4.45Å; Y209-L219 HydrophobicContact CE1-CD1 4.3Å; Y209-L219 HydrophobicContact CG-CD1 3.89Å; T214-L219 HydrophobicContact CG2-CD1 3.73Å; T214-L219 HydrophobicContact CG2-CD2 3.93Å; T214-L219 HydrophobicContact CG2-CG 3.71Å; P216-L219 PolarHBondContact O-N 3.2Å; E217-L219 PolarHBondContact O-N 2.98Å; L219-A222 PolarHBondContact O-N 2.98Å; L219-I223 WeakPolarHBondContact O-CG1 3.28Å; L219-I223 PolarHBondContact O-N 3.42Å
220	R	85.1	Confident	82.9	Confident	125 Å²	125	82.7 Å²	82.7	47%	0.472	43%	0.431	S	S	.	.	H	α-helix	trans	-61.8	-49.7	172.9	-176.8	-173.9	67.2	-151	-9.1	111	P216 E217 A222 I223 E224	P216-R220 PolarHBondContact O-N 3.19Å; P216-R220 VanDerWaalsContact O-N 3.08Å; E217-R220 WeakPolarHBondContact O-CB 3.39Å; E217-R220 PolarHBondContact O-N 3.06Å; R220-A222 PolarHBondContact O-N 3.21Å; R220-I223 PolarHBondContact O-N 3.15Å; R220-E224 WeakPolarHBondContact CG-OE2 3.29Å; R220-E224 IonicContact NE-OE2 2.95Å; R220-E224 PolarHBondContact O-N 2.94Å
221	E	84.6	Confident	82.5	Confident	142 Å²	142	85.8 Å²	85.8	66%	0.664	45%	0.446	S	S	*	.	H	α-helix	trans	-57.5	-39.2	-179.8	-172	173.7	85.8	0	0	111.8	E217 I223 E224 D225	E217-E221 PolarHBondContact O-N 3.29Å; E221-I223 PolarHBondContact O-N 2.96Å; E221-E224 PolarHBondContact O-N 3.35Å; E221-D225 PolarHBondContact O-N 3.4Å
222	A	84	Confident	82.4	Confident	10 Å²	10	87.5 Å²	87.5	8%	0.083	45%	0.45	C	S	.	.	H	α-helix	trans	-68.9	-13.1	177.1	0	0	0	0	0	115.3	I187 K190 P218 L219 R220	I187-A222 HydrophobicContact CD1-CB 3.47Å; I187-A222 VanDerWaalsContact CD1-CB 3.47Å; K190-A222 HydrophobicContact CD-CB 4.38Å; K190-A222 VanDerWaalsContact CE-CB 3.46Å; P218-A222 VanDerWaalsContact O-CB 3.29Å; P218-A222 WeakPolarHBondContact O-CB 3.4Å; P218-A222 PolarHBondContact O-N 3.34Å; L219-A222 PolarHBondContact O-N 2.98Å; R220-A222 PolarHBondContact O-N 3.21Å
223	I	83.8	Confident	82.4	Confident	27 Å²	27	83.7 Å²	83.7	14%	0.138	43%	0.429	C	S	.	.	H	α-helix	trans	-95.2	-25.2	174.4	-60.9	167.1	0	0	0	110.4	I169 I171 I183 I187 I207 L219 R220 E221	I169-I223 HydrophobicContact CD1-CD1 3.94Å; I169-I223 HydrophobicContact CG2-CD1 4.3Å; I171-I223 HydrophobicContact CB-CG2 4.49Å; I171-I223 HydrophobicContact CD1-CD1 4.27Å; I171-I223 HydrophobicContact CD1-CG2 4.03Å; I171-I223 HydrophobicContact CG1-CG2 4.03Å; I171-I223 HydrophobicContact CG2-CG2 3.73Å; I183-I223 HydrophobicContact CG2-CG1 4.14Å; I183-I223 HydrophobicContact CG2-CG2 4.33Å; I187-I223 HydrophobicContact CD1-CD1 4.37Å; I187-I223 HydrophobicContact CD1-CG1 3.67Å; I187-I223 HydrophobicContact CG1-CD1 4.43Å; I187-I223 HydrophobicContact CG1-CG1 3.9Å; I207-I223 HydrophobicContact CD1-CD1 4.23Å; L219-I223 WeakPolarHBondContact O-CG1 3.28Å; L219-I223 PolarHBondContact O-N 3.42Å; R220-I223 PolarHBondContact O-N 3.15Å; E221-I223 PolarHBondContact O-N 2.96Å
224	E	79.5	Confident	82.5	Confident	150 Å²	150	80.6 Å²	80.6	70%	0.701	41%	0.412	S	S	*	.	H	α-helix	trans	-82.5	-21	178.5	-67.7	-174	91.1	0	0	113.5	R220 E221	R220-E224 WeakPolarHBondContact CG-OE2 3.29Å; R220-E224 IonicContact NE-OE2 2.95Å; R220-E224 PolarHBondContact O-N 2.94Å; E221-E224 PolarHBondContact O-N 3.35Å
225	D	68.4	Low	82.6	Confident	199 Å²	199	86.2 Å²	86.2	100%	1.064	44%	0.439	S	S	*	.			trans	-79.3	0	173.9	-172.3	-112.9	0	0	0	113	E221	E221-D225 PolarHBondContact O-N 3.4Å

Retrieved 225 of 225 residues in 427.2 ms (Link to these results)

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