A0A023IKG1_RAT Loading...

RT1-Db2

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB , UniProt , Accession A0A023IKG1, Species RAT (Rattus norvegicus, Rat), Gene RT1-Db2, Length 262 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	50.1	Low	232 Å²	232	149.1 Å²	149.1	100%	1.143	77%	0.765	S	S	*	*				0	101.8	0	-88	164.2	82.4	0	0	108
2	V	31.7	Very low	51.8	Low	140 Å²	140	142.4 Å²	142.4	85%	0.848	74%	0.736	S	S	*	*			trans	-99.4	111.7	169.8	177.4	0	0	0	0	106	L4	V2-L4 PolarHBondContact O-N 3.23Å
3	C	36.9	Very low	53.2	Low	100 Å²	100	133.9 Å²	133.9	68%	0.676	70%	0.7	S	S	*	*			trans	-74	108	177.7	-75	0	0	0	0	109.6	W5	C3-W5 PolarHBondContact O-N 2.97Å; C3-W5 VanDerWaalsContact O-N 3.15Å
4	L	40.8	Very low	54.7	Low	164 Å²	164	127.9 Å²	127.9	86%	0.859	68%	0.679	S	S	*	*			trans	-71.6	99.5	165.7	-86.3	149.9	0	0	0	108.8	V2 L6	V2-L4 PolarHBondContact O-N 3.23Å; L4-L6 PolarHBondContact O-N 3.41Å
5	W	47.5	Very low	56.1	Low	242 Å²	242	125.1 Å²	125.1	92%	0.917	67%	0.669	S	S	*	*			trans	-77.9	109.9	165.9	-94.5	59.1	0	0	0	108.8	C3	C3-W5 PolarHBondContact O-N 2.97Å; C3-W5 VanDerWaalsContact O-N 3.15Å
6	L	52.8	Low	57	Low	149 Å²	149	121.7 Å²	121.7	78%	0.78	65%	0.653	S	S	*	*			trans	-78.2	128.2	169.5	-79.5	160.2	0	0	0	109.2	L4 R8	L4-L6 PolarHBondContact O-N 3.41Å; L6-R8 PolarHBondContact O-N 2.94Å
7	P	51.3	Low	57.7	Low	64 Å²	64	120.8 Å²	120.8	42%	0.416	65%	0.648	S	S	.	*			trans	-66.2	134.7	178.1	24.6	-29.3	0	0	0	110.5	D9 V12	P7-D9 PolarHBondContact O-N 3.23Å; P7-D9 VanDerWaalsContact O-N 3.17Å; P7-V12 HydrophobicContact CB-CB 4.41Å; P7-V12 HydrophobicContact CB-CG1 4.08Å; P7-V12 HydrophobicContact CG-CB 4.26Å; P7-V12 HydrophobicContact CG-CG1 3.72Å
8	R	58.2	Low	58.4	Low	258 Å²	258	117.6 Å²	117.6	97%	0.974	64%	0.636	S	S	*	*	S	Bend	trans	-69.9	-4.1	-175.8	-95.9	180	173.5	173.6	-2.2	115	L6	L6-R8 PolarHBondContact O-N 2.94Å
9	D	60.9	Low	58.8	Low	98 Å²	98	117.2 Å²	117.2	52%	0.524	63%	0.633	S	S	.	*			trans	-99.5	114.9	-173.8	-145.9	-38.9	0	0	0	110.4	P7 C11 V12 A13	P7-D9 PolarHBondContact O-N 3.23Å; P7-D9 VanDerWaalsContact O-N 3.17Å; D9-C11 PolarHBondContact O-N 2.97Å; D9-C11 VanDerWaalsContact O-N 3.13Å; D9-V12 HydrophobicContact CB-CB 4.43Å; D9-V12 HydrophobicContact CB-CG2 4.04Å; D9-V12 PolarHBondContact O-N 3Å; D9-A13 PolarHBondContact O-N 3.38Å
10	P	66.7	Low	59.1	Low	101 Å²	101	117.2 Å²	117.2	66%	0.656	63%	0.632	S	S	*	*	H	α-helix	trans	-60.3	-27.4	-171.1	20.3	-31.4	0	0	0	113.4	A14	P10-A14 WeakPolarHBondContact O-CB 3.48Å; P10-A14 PolarHBondContact O-N 2.96Å
11	C	69.6	Low	59.4	Low	92 Å²	92	119.4 Å²	119.4	62%	0.622	64%	0.64	S	S	*	*	H	α-helix	trans	-68	-39.2	174.2	-82.2	0	0	0	0	112.7	D9 A14 V15	D9-C11 PolarHBondContact O-N 2.97Å; D9-C11 VanDerWaalsContact O-N 3.13Å; C11-A14 PolarHBondContact O-N 3.23Å; C11-V15 VanDerWaalsContact O-CG2 3.3Å; C11-V15 WeakPolarHBondContact O-CG2 3.34Å; C11-V15 PolarHBondContact O-N 3.41Å
12	V	70.6	Confident	60.8	Low	69 Å²	69	115 Å²	115	42%	0.418	62%	0.621	S	S	.	*	H	α-helix	trans	-71.4	-39.3	179.6	-178.4	0	0	0	0	110.1	P7 D9 A14 V15 V16	P7-V12 HydrophobicContact CB-CB 4.41Å; P7-V12 HydrophobicContact CB-CG1 4.08Å; P7-V12 HydrophobicContact CG-CB 4.26Å; P7-V12 HydrophobicContact CG-CG1 3.72Å; D9-V12 HydrophobicContact CB-CB 4.43Å; D9-V12 HydrophobicContact CB-CG2 4.04Å; D9-V12 PolarHBondContact O-N 3Å; V12-A14 VanDerWaalsContact C-N 3.35Å; V12-A14 PolarHBondContact O-N 3.21Å; V12-V15 PolarHBondContact O-N 3Å; V12-V16 HydrophobicContact CG1-CG2 4.47Å; V12-V16 VanDerWaalsContact O-CG2 3.3Å; V12-V16 WeakPolarHBondContact O-CG2 3.48Å; V12-V16 PolarHBondContact O-N 3.4Å
13	A	70.4	Confident	62	Low	32 Å²	32	111.2 Å²	111.2	26%	0.264	60%	0.601	S	S	.	*	H	α-helix	trans	-61.2	-43.4	173.9	0	0	0	0	0	111.8	D9 V16 L17	D9-A13 PolarHBondContact O-N 3.38Å; A13-V16 PolarHBondContact O-N 3.45Å; A13-L17 WeakPolarHBondContact O-CB 3.49Å; A13-L17 WeakPolarHBondContact O-CG 3.49Å; A13-L17 PolarHBondContact O-N 3.46Å
14	A	74.9	Confident	63.1	Low	50 Å²	50	111.6 Å²	111.6	41%	0.413	60%	0.602	S	S	.	*	H	α-helix	trans	-62.7	-44.6	176.4	0	0	0	0	0	111.9	P10 C11 V12 L17 S18	P10-A14 WeakPolarHBondContact O-CB 3.48Å; P10-A14 PolarHBondContact O-N 2.96Å; C11-A14 PolarHBondContact O-N 3.23Å; V12-A14 VanDerWaalsContact C-N 3.35Å; V12-A14 PolarHBondContact O-N 3.21Å; A14-L17 PolarHBondContact O-N 3.35Å; A14-S18 WeakPolarHBondContact O-CB 3.36Å; A14-S18 PolarHBondContact O-N 3.42Å; A14-S18 PolarHBondContact O-OG 3.49Å
15	V	74.5	Confident	64	Low	86 Å²	86	109.7 Å²	109.7	52%	0.521	60%	0.6	S	S	.	*	H	α-helix	trans	-64.6	-41.8	178.5	171.4	0	0	0	0	111.8	C11 V12 S18 L19	C11-V15 VanDerWaalsContact O-CG2 3.3Å; C11-V15 WeakPolarHBondContact O-CG2 3.34Å; C11-V15 PolarHBondContact O-N 3.41Å; V12-V15 PolarHBondContact O-N 3Å; V15-S18 PolarHBondContact O-N 3.12Å; V15-L19 HydrophobicContact CG1-CD1 3.83Å; V15-L19 HydrophobicContact CG1-CG 4.36Å; V15-L19 WeakPolarHBondContact O-CB 3.35Å; V15-L19 VanDerWaalsContact O-CG 3.26Å; V15-L19 WeakPolarHBondContact O-CG 3.26Å; V15-L19 PolarHBondContact O-N 2.99Å
16	V	71.3	Confident	64.7	Low	70 Å²	70	104.6 Å²	104.6	42%	0.424	60%	0.595	S	S	.	*	H	α-helix	trans	-65.2	-41.7	176.6	173.6	0	0	0	0	111	V12 A13 L19 L20	V12-V16 HydrophobicContact CG1-CG2 4.47Å; V12-V16 VanDerWaalsContact O-CG2 3.3Å; V12-V16 WeakPolarHBondContact O-CG2 3.48Å; V12-V16 PolarHBondContact O-N 3.4Å; A13-V16 PolarHBondContact O-N 3.45Å; V16-L19 PolarHBondContact O-N 3.39Å; V16-L20 HydrophobicContact CG1-CD1 4Å; V16-L20 WeakPolarHBondContact O-CB 3.4Å; V16-L20 VanDerWaalsContact O-CG 3.28Å; V16-L20 WeakPolarHBondContact O-CG 3.44Å; V16-L20 PolarHBondContact O-N 3.31Å
17	L	68.8	Low	64.9	Low	106 Å²	106	101.5 Å²	101.5	56%	0.555	59%	0.591	S	S	*	*	H	α-helix	trans	-64.4	-42	174.6	-82.8	159.7	0	0	0	112	A13 A14 L20 M21	A13-L17 WeakPolarHBondContact O-CB 3.49Å; A13-L17 WeakPolarHBondContact O-CG 3.49Å; A13-L17 PolarHBondContact O-N 3.46Å; A14-L17 PolarHBondContact O-N 3.35Å; L17-L20 PolarHBondContact O-N 3.07Å; L17-M21 WeakPolarHBondContact O-CB 3.35Å; L17-M21 WeakPolarHBondContact O-CG 3.32Å; L17-M21 PolarHBondContact O-N 3.49Å
18	S	70.9	Confident	65.1	Low	64 Å²	64	106.7 Å²	106.7	45%	0.448	61%	0.614	S	S	.	*	H	α-helix	trans	-64.2	-41	175.2	-60.4	0	0	0	0	111.8	A14 V15 M21 L22	A14-S18 WeakPolarHBondContact O-CB 3.36Å; A14-S18 PolarHBondContact O-N 3.42Å; A14-S18 PolarHBondContact O-OG 3.49Å; V15-S18 PolarHBondContact O-N 3.12Å; S18-M21 PolarHBondContact O-N 3.1Å; S18-L22 VanDerWaalsContact O-CB 3.27Å; S18-L22 WeakPolarHBondContact O-CB 3.21Å; S18-L22 WeakPolarHBondContact O-CD1 3.16Å; S18-L22 WeakPolarHBondContact O-CG 3.45Å; S18-L22 PolarHBondContact O-N 3.01Å
19	L	65.5	Low	65.1	Low	110 Å²	110	99.6 Å²	99.6	58%	0.576	60%	0.599	S	S	*	*	H	α-helix	trans	-65.9	-38.3	176.3	-76.3	167.5	0	0	0	112.2	V15 V16 M21 L22 S23	V15-L19 HydrophobicContact CG1-CD1 3.83Å; V15-L19 HydrophobicContact CG1-CG 4.36Å; V15-L19 WeakPolarHBondContact O-CB 3.35Å; V15-L19 VanDerWaalsContact O-CG 3.26Å; V15-L19 WeakPolarHBondContact O-CG 3.26Å; V15-L19 PolarHBondContact O-N 2.99Å; V16-L19 PolarHBondContact O-N 3.39Å; L19-M21 VanDerWaalsContact C-N 3.33Å; L19-L22 PolarHBondContact O-N 3.04Å; L19-S23 PolarHBondContact O-N 3.35Å; L19-S23 PolarHBondContact O-OG 3Å
20	L	64.9	Low	65.1	Low	117 Å²	117	106.3 Å²	106.3	61%	0.613	62%	0.617	S	S	*	*	H	α-helix	trans	-68.5	-30.7	174.2	-73.5	167.6	0	0	0	112.7	V16 L17 S23	V16-L20 HydrophobicContact CG1-CD1 4Å; V16-L20 WeakPolarHBondContact O-CB 3.4Å; V16-L20 VanDerWaalsContact O-CG 3.28Å; V16-L20 WeakPolarHBondContact O-CG 3.44Å; V16-L20 PolarHBondContact O-N 3.31Å; L17-L20 PolarHBondContact O-N 3.07Å; L20-S23 WeakPolarHBondContact CA-OG 3.37Å; L20-S23 PolarHBondContact O-OG 3.31Å
21	M	65.1	Low	64.9	Low	163 Å²	163	104.1 Å²	104.1	80%	0.803	60%	0.6	S	S	*	*	H	α-helix	trans	-80.8	-26.2	174.5	-68.9	-68	-161.5	0	0	113	L17 S18 L19	L17-M21 WeakPolarHBondContact O-CB 3.35Å; L17-M21 WeakPolarHBondContact O-CG 3.32Å; L17-M21 PolarHBondContact O-N 3.49Å; S18-M21 PolarHBondContact O-N 3.1Å; L19-M21 VanDerWaalsContact C-N 3.33Å
22	L	63.2	Low	64.7	Low	139 Å²	139	105.4 Å²	105.4	73%	0.728	61%	0.607	S	S	*	*	H	α-helix	trans	-88.2	-19.9	177.1	-80.9	158.4	0	0	0	113	S18 L19 P24	S18-L22 VanDerWaalsContact O-CB 3.27Å; S18-L22 WeakPolarHBondContact O-CB 3.21Å; S18-L22 WeakPolarHBondContact O-CD1 3.16Å; S18-L22 WeakPolarHBondContact O-CG 3.45Å; S18-L22 PolarHBondContact O-N 3.01Å; L19-L22 PolarHBondContact O-N 3.04Å; L22-P24 WeakPolarHBondContact O-CD 3.4Å
23	S	57.9	Low	65.1	Low	62 Å²	62	110.2 Å²	110.2	43%	0.434	62%	0.618	S	S	.	*	S	Bend	trans	-67.1	119.2	169.1	46.4	0	0	0	0	108.7	L19 L20	L19-S23 PolarHBondContact O-N 3.35Å; L19-S23 PolarHBondContact O-OG 3Å; L20-S23 WeakPolarHBondContact CA-OG 3.37Å; L20-S23 PolarHBondContact O-OG 3.31Å
24	P	60.4	Low	65.6	Low	108 Å²	108	113.5 Å²	113.5	70%	0.701	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-57.3	143.5	176.5	23.7	-31.4	0	0	0	108.7	L22 V26	L22-P24 WeakPolarHBondContact O-CD 3.4Å; P24-V26 PolarHBondContact O-N 3.46Å; P24-V26 VanDerWaalsContact O-N 3.11Å
25	P	59.5	Low	66.1	Low	124 Å²	124	120 Å²	120	81%	0.805	65%	0.65	S	S	*	*	S	Bend	trans	-54.7	128.4	173.3	25.1	-31.5	0	0	0	106.6	A27	P25-A27 PolarHBondContact O-N 2.89Å; P25-A27 VanDerWaalsContact O-N 3.12Å
26	V	60.5	Low	66.8	Low	134 Å²	134	122.2 Å²	122.2	81%	0.812	65%	0.653	S	S	*	*			trans	-18.6	114.6	173.2	176.1	0	0	0	0	109.9	P24 L28	P24-V26 PolarHBondContact O-N 3.46Å; P24-V26 VanDerWaalsContact O-N 3.11Å; V26-L28 PolarHBondContact O-N 3.39Å
27	A	57.5	Low	67.8	Low	85 Å²	85	122.9 Å²	122.9	70%	0.702	65%	0.654	S	S	*	*			trans	-41	122.3	-179.6	0	0	0	0	0	108.9	P25 V29	P25-A27 PolarHBondContact O-N 2.89Å; P25-A27 VanDerWaalsContact O-N 3.12Å; A27-V29 VanDerWaalsContact C-N 3.31Å; A27-V29 PolarHBondContact O-N 2.89Å
28	L	54.9	Low	69	Low	172 Å²	172	124.5 Å²	124.5	90%	0.901	66%	0.659	S	S	*	*			trans	-47.1	99.9	175.3	-114.7	153	0	0	0	107.7	V26 R30	V26-L28 PolarHBondContact O-N 3.39Å; L28-R30 PolarHBondContact O-N 2.97Å
29	V	58.4	Low	70.2	Confident	109 Å²	109	124.7 Å²	124.7	66%	0.661	65%	0.652	S	S	*	*			trans	-60.1	109.6	169.2	175	0	0	0	0	103.9	A27 D31	A27-V29 VanDerWaalsContact C-N 3.31Å; A27-V29 PolarHBondContact O-N 2.89Å; V29-D31 PolarHBondContact O-N 3.44Å
30	R	61.1	Low	71.7	Confident	239 Å²	239	124.4 Å²	124.4	90%	0.902	65%	0.651	S	S	*	*	S	Bend	trans	-43.1	126.4	171.4	-89.5	177.2	168.4	164.5	-3.1	108.1	L28	L28-R30 PolarHBondContact O-N 2.97Å
31	D	63.9	Low	73.2	Confident	56 Å²	56	123.6 Å²	123.6	30%	0.299	64%	0.642	S	S	.	*			trans	22.6	97.6	168.6	-169.4	1.8	0	0	0	114.6	V29 R33 R35	V29-D31 PolarHBondContact O-N 3.44Å; D31-R33 PolarHBondContact O-N 2.93Å; D31-R33 WeakPolarHBondContact OD1-CG 3.43Å; D31-R33 IonicContact OD1-CZ 3.04Å; D31-R33 PolarHBondContact OD1-N 3.49Å; D31-R33 IonicContact OD1-NE 3.58Å; D31-R33 PolarHBondContact OD1-NE 3.42Å; D31-R33 IonicContact OD1-NH2 3.96Å; D31-R33 PolarHBondContact OD1-NH2 3.48Å; D31-R33 IonicContact OD2-CZ 3.9Å; D31-R33 IonicContact OD2-NE 2.87Å; D31-R33 PolarHBondContact OD2-NE 3.47Å; D31-R33 IonicContact OD2-NH2 2.8Å; D31-R33 PolarHBondContact OD2-NH2 2.94Å; D31-R35 IonicContact OD2-CZ 3.07Å; D31-R35 IonicContact OD2-NE 3.72Å; D31-R35 IonicContact OD2-NH2 3.68Å; D31-R35 PolarHBondContact OD2-NH2 3.35Å
32	P	64.1	Low	74.6	Confident	118 Å²	118	119.7 Å²	119.7	77%	0.766	64%	0.636	S	S	*	*			trans	-69.2	1.6	-172.8	30.4	-36.8	0	0	0	114.1
33	R	78.9	Confident	76.2	Confident	171 Å²	171	115.5 Å²	115.5	65%	0.645	61%	0.613	S	S	*	*	S	Bend	trans	-69.5	123.6	176.6	-69.9	179.3	-69.2	-174.8	2.3	109	D31 R35	D31-R33 PolarHBondContact O-N 2.93Å; D31-R33 WeakPolarHBondContact OD1-CG 3.43Å; D31-R33 IonicContact OD1-CZ 3.04Å; D31-R33 PolarHBondContact OD1-N 3.49Å; D31-R33 IonicContact OD1-NE 3.58Å; D31-R33 PolarHBondContact OD1-NE 3.42Å; D31-R33 IonicContact OD1-NH2 3.96Å; D31-R33 PolarHBondContact OD1-NH2 3.48Å; D31-R33 IonicContact OD2-CZ 3.9Å; D31-R33 IonicContact OD2-NE 2.87Å; D31-R33 PolarHBondContact OD2-NE 3.47Å; D31-R33 IonicContact OD2-NH2 2.8Å; D31-R33 PolarHBondContact OD2-NH2 2.94Å; R33-R35 PolarHBondContact O-N 3.48Å; R33-R35 VanDerWaalsContact O-N 3.15Å
34	P	80.4	Confident	77.9	Confident	100 Å²	100	115.1 Å²	115.1	65%	0.649	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-61.4	123.5	175.8	27.3	-33.7	0	0	0	108.5	F36	P34-F36 HydrophobicContact CB-CE2 3.67Å; P34-F36 HydrophobicContact CB-CZ 3.71Å; P34-F36 HydrophobicContact CG-CE2 4.06Å; P34-F36 HydrophobicContact CG-CZ 4.4Å
35	R	85.4	Confident	79.5	Confident	186 Å²	186	113.1 Å²	113.1	70%	0.702	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-103.9	128.8	174.3	-65.4	-174.3	-175.4	-175.5	0.8	107.8	D31 R33	D31-R35 IonicContact OD2-CZ 3.07Å; D31-R35 IonicContact OD2-NE 3.72Å; D31-R35 IonicContact OD2-NH2 3.68Å; D31-R35 PolarHBondContact OD2-NH2 3.35Å; R33-R35 PolarHBondContact O-N 3.48Å; R33-R35 VanDerWaalsContact O-N 3.15Å
36	F	89.5	Confident	81	Confident	133 Å²	133	110.3 Å²	110.3	58%	0.583	57%	0.565	S	S	*	*			trans	-118	136.3	175.6	-55.7	-76.2	0	0	0	107.9	P34 Y61 N62	P34-F36 HydrophobicContact CB-CE2 3.67Å; P34-F36 HydrophobicContact CB-CZ 3.71Å; P34-F36 HydrophobicContact CG-CE2 4.06Å; P34-F36 HydrophobicContact CG-CZ 4.4Å; F36-Y61 HydrophobicContact CB-CE2 4.49Å; F36-Y61 WeakPolarHBondContact CB-OH 3.39Å; F36-Y61 AromaticContact CD1-CE1 3.99Å; F36-Y61 HydrophobicContact CD1-CE1 3.99Å; F36-Y61 AromaticContact CD1-CZ 3.77Å; F36-Y61 WeakPolarHBondContact CD1-OH 3.41Å; F36-Y61 WeakPolarHBondContact CG-OH 3.35Å; F36-N62 WeakPolarHBondContact CA-OD1 3.47Å
37	L	93.1	Very high	82.3	Confident	85 Å²	85	106.8 Å²	106.8	45%	0.445	54%	0.543	S	S	.	.			trans	-126.7	113.2	176.7	178.9	66.6	0	0	0	108.5	Q39 Y61 N62	L37-Q39 HydrophobicContact CD1-CG 4.18Å; L37-Q39 HydrophobicContact CD2-CG 4.03Å; L37-Q39 HydrophobicContact CG-CG 3.78Å; L37-Y61 CarbonylContact O-C 3.43Å; L37-Y61 WeakPolarHBondContact O-CA 3.26Å; L37-N62 PolarHBondContact N-OD1 3.17Å; L37-N62 PolarHBondContact O-N 3.13Å
38	E	93.4	Very high	83.5	Confident	140 Å²	140	112.4 Å²	112.4	65%	0.654	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.5	134	167.9	-171.9	174.1	-159.6	0	0	109.1	I60 Y61	E38-I60 CarbonylContact C-O 3.54Å; E38-I60 WeakPolarHBondContact CA-O 3.3Å; E38-Y61 HydrophobicContact CB-CD2 4.24Å
39	Q	96.8	Very high	84.8	Confident	67 Å²	67	105.1 Å²	105.1	31%	0.313	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	137.1	178.7	-46.3	-179.2	-81	0	0	109.8	L37 I60	L37-Q39 HydrophobicContact CD1-CG 4.18Å; L37-Q39 HydrophobicContact CD2-CG 4.03Å; L37-Q39 HydrophobicContact CG-CG 3.78Å; Q39-I60 HydrophobicContact CB-CB 4.22Å; Q39-I60 PolarHBondContact N-O 3Å; Q39-I60 PolarHBondContact O-N 3.42Å
40	L	95.8	Very high	86.1	Confident	104 Å²	104	105.2 Å²	105.2	55%	0.545	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	121.5	168.3	-171.2	73.3	0	0	0	107.9	T57 R58 F59	L40-T57 HydrophobicContact CD1-CG2 3.56Å; L40-T57 HydrophobicContact CG-CG2 3.95Å; L40-R58 WeakPolarHBondContact CA-O 3.42Å; L40-F59 HydrophobicContact CD1-CD1 3.45Å; L40-F59 VanDerWaalsContact CD1-CD1 3.45Å; L40-F59 HydrophobicContact CD1-CD2 4.45Å; L40-F59 HydrophobicContact CD1-CE1 3.31Å; L40-F59 HydrophobicContact CD1-CE2 4.32Å; L40-F59 HydrophobicContact CD1-CG 4.04Å; L40-F59 HydrophobicContact CD1-CZ 3.79Å
41	K	97.4	Very high	87.2	Confident	100 Å²	100	100.9 Å²	100.9	44%	0.435	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	113.5	176.6	-65.5	-172.8	-179.1	178.3	0	109.7	T57 R58 I60	K41-T57 CarbonylContact O-C 3.55Å; K41-T57 VanDerWaalsContact O-CA 3.26Å; K41-T57 WeakPolarHBondContact O-CA 3.36Å; K41-R58 HydrophobicContact CB-CB 4.31Å; K41-R58 PolarHBondContact N-O 3.02Å; K41-R58 PolarHBondContact O-N 3.41Å; K41-I60 HydrophobicContact CD-CD1 3.69Å; K41-I60 HydrophobicContact CG-CD1 4.02Å
42	A	95.5	Very high	88.4	Confident	82 Å²	82	104 Å²	104	68%	0.678	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	123.7	172.2	0	0	0	0	0	109.5
43	E	96	Very high	89.8	Confident	51 Å²	51	99 Å²	99	24%	0.238	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.2	-177.2	-62	170.3	-159.5	0	0	109.2	H45 S55 V56 R58	E43-H45 IonicContact OE2-CE1 3.15Å; E43-H45 IonicContact OE2-NE2 2.84Å; E43-H45 PolarHBondContact OE2-NE2 3Å; E43-S55 WeakPolarHBondContact O-CA 3.43Å; E43-V56 HydrophobicContact CB-CB 4.43Å; E43-V56 PolarHBondContact N-O 3Å; E43-V56 PolarHBondContact O-N 3.15Å; E43-R58 WeakPolarHBondContact OE1-CD 3.22Å; E43-R58 IonicContact OE1-CZ 3.34Å; E43-R58 IonicContact OE1-NE 3.3Å; E43-R58 PolarHBondContact OE1-NE 3.5Å; E43-R58 IonicContact OE1-NH2 3.86Å; E43-R58 IonicContact OE2-NE 3.84Å; E43-R58 IonicContact OE2-NH2 2.95Å; E43-R58 PolarHBondContact OE2-NH2 2.98Å
44	C	94.2	Very high	90.5	Very high	54 Å²	54	95.1 Å²	95.1	37%	0.365	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	118.4	166.9	-62.8	0	0	0	0	107.5	Y46 C107	C44-Y46 HydrophobicContact CB-CD2 4.47Å; C44-Y46 HydrophobicContact CB-CE1 4.36Å; C44-Y46 HydrophobicContact CB-CE2 3.61Å; C44-Y46 WeakPolarHBondContact CB-OH 3.3Å; C44-C107 HydrophobicContact CB-CB 3.63Å; C44-C107 WeakPolarHBondContact CB-SG 3.4Å; C44-C107 WeakPolarHBondContact SG-CB 3.38Å; C44-C107 CovalentContact SG-SG 2.03Å; C44-C107 PolarHBondContact SG-SG 3.07Å
45	H	93.3	Very high	91.3	Very high	65 Å²	65	90.5 Å²	90.5	30%	0.301	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	118.2	178.6	-66.8	-91.4	0	0	0	108.8	E43 V53 W54	E43-H45 IonicContact OE2-CE1 3.15Å; E43-H45 IonicContact OE2-NE2 2.84Å; E43-H45 PolarHBondContact OE2-NE2 3Å; H45-V53 WeakPolarHBondContact O-CA 3.42Å; H45-W54 HydrophobicContact CB-CD2 3.66Å; H45-W54 HydrophobicContact CB-CE3 4.19Å; H45-W54 HydrophobicContact CB-CG 4.16Å; H45-W54 HydrophobicContact CB-CH2 4Å; H45-W54 HydrophobicContact CB-CZ2 3.41Å; H45-W54 VanDerWaalsContact CB-CZ2 3.41Å; H45-W54 HydrophobicContact CB-CZ3 4.36Å; H45-W54 AromaticContact CD2-CD1 3.87Å; H45-W54 AromaticContact CD2-NE1 3.4Å; H45-W54 PolarHBondContact CD2-NE1 3.39Å; H45-W54 AromaticContact CG-CE2 3.62Å; H45-W54 AromaticContact CG-CZ2 3.83Å; H45-W54 AromaticContact CG-NE1 3.4Å; H45-W54 PolarHBondContact N-O 2.98Å; H45-W54 PolarHBondContact O-N 3.44Å
46	Y	90.6	Very high	91.9	Very high	66 Å²	66	82 Å²	82	26%	0.259	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	115.6	-178.9	-54.5	-81	0	0	0	109.5	C44 V53 C107 Y111	C44-Y46 HydrophobicContact CB-CD2 4.47Å; C44-Y46 HydrophobicContact CB-CE1 4.36Å; C44-Y46 HydrophobicContact CB-CE2 3.61Å; C44-Y46 WeakPolarHBondContact CB-OH 3.3Å; Y46-V53 HydrophobicContact CD1-CB 4.39Å; Y46-V53 HydrophobicContact CD1-CG1 3.91Å; Y46-V53 HydrophobicContact CD1-CG2 3.59Å; Y46-V53 HydrophobicContact CE1-CG1 3.86Å; Y46-V53 HydrophobicContact CE1-CG2 4.08Å; Y46-C107 HydrophobicContact CE1-CB 4.11Å; Y46-C107 WeakPolarHBondContact CE1-O 3.26Å; Y46-C107 PolarHBondContact OH-O 2.83Å; Y46-Y111 AromaticContact CD1-CD2 3.23Å; Y46-Y111 HydrophobicContact CD1-CD2 3.23Å; Y46-Y111 AromaticContact CD1-CE2 3.92Å; Y46-Y111 HydrophobicContact CD1-CE2 3.92Å; Y46-Y111 HydrophobicContact CD1-CG 4.1Å; Y46-Y111 HydrophobicContact CD2-CD2 4.14Å; Y46-Y111 HydrophobicContact CD2-CE2 4.47Å; Y46-Y111 AromaticContact CE1-CD2 3.59Å; Y46-Y111 HydrophobicContact CE1-CD2 3.59Å; Y46-Y111 HydrophobicContact CE1-CG 4.17Å; Y46-Y111 HydrophobicContact CE2-CD2 4.42Å; Y46-Y111 AromaticContact CG-CD2 3.55Å; Y46-Y111 HydrophobicContact CG-CD2 3.55Å; Y46-Y111 AromaticContact CG-CE2 3.83Å; Y46-Y111 HydrophobicContact CG-CE2 3.83Å
47	V	87.6	Confident	92.2	Very high	59 Å²	59	76.2 Å²	76.2	36%	0.358	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.1	176.2	172.7	0	0	0	0	109.5	G49 H52 W54	V47-G49 PolarHBondContact O-N 2.96Å; V47-H52 HydrophobicContact CB-CB 4.25Å; V47-H52 PolarHBondContact N-O 3.41Å; V47-W54 HydrophobicContact CB-CZ3 4.06Å; V47-W54 HydrophobicContact CG2-CH2 3.27Å; V47-W54 HydrophobicContact CG2-CZ3 3.25Å
48	K	83.9	Confident	92.5	Very high	204 Å²	204	75 Å²	75	89%	0.887	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	41.8	177.9	-58.2	177.3	179.8	178.9	0	112.3
49	G	81.9	Confident	92.6	Very high	18 Å²	18	69.6 Å²	69.6	19%	0.186	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	106.5	-154.3	176.9	0	0	0	0	0	114.8	V47	V47-G49 PolarHBondContact O-N 2.96Å
50	R	85.6	Confident	92.6	Very high	112 Å²	112	67 Å²	67	42%	0.423	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-7.3	-173.4	64.7	-178.9	-77.3	162.5	-4.9	116	V53 Y111 D112	R50-V53 WeakPolarHBondContact O-CG2 3.39Å; R50-Y111 HydrophobicContact CB-CD1 3.63Å; R50-Y111 HydrophobicContact CB-CE1 4.24Å; R50-Y111 HydrophobicContact CB-CG 3.9Å; R50-Y111 HydrophobicContact CG-CD1 4.49Å; R50-D112 IonicContact CZ-OD1 2.75Å; R50-D112 IonicContact CZ-OD2 2.9Å; R50-D112 IonicContact NH1-OD1 3.98Å; R50-D112 PolarHBondContact NH1-OD1 3.4Å; R50-D112 IonicContact NH1-OD2 2.66Å; R50-D112 PolarHBondContact NH1-OD2 3.03Å
51	E	84.4	Confident	92.6	Very high	147 Å²	147	66.3 Å²	66.3	69%	0.687	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-50	-175.5	-65.1	-174.9	168	0	0	111.3	V53	E51-V53 PolarHBondContact O-N 3.11Å
52	H	89.3	Confident	92.4	Very high	121 Å²	121	65 Å²	65	56%	0.56	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	89	-177.3	-63	83.3	0	0	0	109.5	V47	V47-H52 HydrophobicContact CB-CB 4.25Å; V47-H52 PolarHBondContact N-O 3.41Å
53	V	92.3	Very high	92.2	Very high	15 Å²	15	69.2 Å²	69.2	9%	0.091	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.6	-179	-173.9	0	0	0	0	109.1	H45 Y46 R50 E51 V104 C107 R108	H45-V53 WeakPolarHBondContact O-CA 3.42Å; Y46-V53 HydrophobicContact CD1-CB 4.39Å; Y46-V53 HydrophobicContact CD1-CG1 3.91Å; Y46-V53 HydrophobicContact CD1-CG2 3.59Å; Y46-V53 HydrophobicContact CE1-CG1 3.86Å; Y46-V53 HydrophobicContact CE1-CG2 4.08Å; R50-V53 WeakPolarHBondContact O-CG2 3.39Å; E51-V53 PolarHBondContact O-N 3.11Å; V53-V104 HydrophobicContact CB-CG1 4.42Å; V53-C107 HydrophobicContact CG1-CB 3.66Å; V53-R108 HydrophobicContact CB-CG 4.16Å; V53-R108 HydrophobicContact CG2-CG 3.92Å
54	W	94.9	Very high	92.2	Very high	89 Å²	89	72.6 Å²	72.6	34%	0.337	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	152.9	164.5	68.1	95.4	0	0	0	109.4	H45 V47 S71 V72	H45-W54 HydrophobicContact CB-CD2 3.66Å; H45-W54 HydrophobicContact CB-CE3 4.19Å; H45-W54 HydrophobicContact CB-CG 4.16Å; H45-W54 HydrophobicContact CB-CH2 4Å; H45-W54 HydrophobicContact CB-CZ2 3.41Å; H45-W54 VanDerWaalsContact CB-CZ2 3.41Å; H45-W54 HydrophobicContact CB-CZ3 4.36Å; H45-W54 AromaticContact CD2-CD1 3.87Å; H45-W54 AromaticContact CD2-NE1 3.4Å; H45-W54 PolarHBondContact CD2-NE1 3.39Å; H45-W54 AromaticContact CG-CE2 3.62Å; H45-W54 AromaticContact CG-CZ2 3.83Å; H45-W54 AromaticContact CG-NE1 3.4Å; H45-W54 PolarHBondContact N-O 2.98Å; H45-W54 PolarHBondContact O-N 3.44Å; V47-W54 HydrophobicContact CB-CZ3 4.06Å; V47-W54 HydrophobicContact CG2-CH2 3.27Å; V47-W54 HydrophobicContact CG2-CZ3 3.25Å; W54-S71 WeakPolarHBondContact CA-OG 3.49Å; W54-S71 WeakPolarHBondContact CB-OG 3.46Å; W54-V72 HydrophobicContact CB-CG2 4.13Å; W54-V72 HydrophobicContact CG-CG2 4.46Å
55	S	96	Very high	92.4	Very high	3 Å²	3	71.5 Å²	71.5	2%	0.021	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143.3	179.2	57.8	0	0	0	0	110.4	E43 S71 S103 V104	E43-S55 WeakPolarHBondContact O-CA 3.43Å; S55-S71 PolarHBondContact N-OG 3.49Å; S55-S71 WeakPolarHBondContact O-CB 3.31Å; S55-S71 PolarHBondContact O-N 3Å; S55-S71 PolarHBondContact O-OG 2.92Å; S55-S71 WeakPolarHBondContact OG-CB 3.44Å; S55-S103 WeakPolarHBondContact CB-OG 3.39Å; S55-S103 PolarHBondContact OG-OG 3.12Å; S55-V104 WeakPolarHBondContact OG-CG2 3.26Å
56	V	97.8	Very high	92.5	Very high	8 Å²	8	69.3 Å²	69.3	5%	0.048	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.1	176	-178.2	0	0	0	0	107.6	E43 R58 F69	E43-V56 HydrophobicContact CB-CB 4.43Å; E43-V56 PolarHBondContact N-O 3Å; E43-V56 PolarHBondContact O-N 3.15Å; V56-R58 HydrophobicContact CG1-CG 3.97Å; V56-F69 WeakPolarHBondContact CA-O 3.27Å
57	T	97.7	Very high	92.9	Very high	10 Å²	10	66.1 Å²	66.1	6%	0.061	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118	169.4	-54.5	0	0	0	0	109.7	L40 K41 F59 R68 F69 Y100	L40-T57 HydrophobicContact CD1-CG2 3.56Å; L40-T57 HydrophobicContact CG-CG2 3.95Å; K41-T57 CarbonylContact O-C 3.55Å; K41-T57 VanDerWaalsContact O-CA 3.26Å; K41-T57 WeakPolarHBondContact O-CA 3.36Å; T57-F59 HydrophobicContact CG2-CE2 4.31Å; T57-F59 HydrophobicContact CG2-CZ 4.43Å; T57-R68 CarbonylContact O-C 3.49Å; T57-R68 WeakPolarHBondContact O-CA 3.45Å; T57-R68 WeakPolarHBondContact O-CB 3.44Å; T57-F69 PolarHBondContact N-O 3.09Å; T57-F69 PolarHBondContact O-N 2.72Å; T57-Y100 HydrophobicContact CG2-CE1 3.8Å
58	R	97.9	Very high	93.4	Very high	60 Å²	60	66.3 Å²	66.3	23%	0.226	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	136.3	-177.9	-51.9	179.6	-173.8	-107.7	-1.9	111	L40 K41 E43 V56 I60 E65	L40-R58 WeakPolarHBondContact CA-O 3.42Å; K41-R58 HydrophobicContact CB-CB 4.31Å; K41-R58 PolarHBondContact N-O 3.02Å; K41-R58 PolarHBondContact O-N 3.41Å; E43-R58 WeakPolarHBondContact OE1-CD 3.22Å; E43-R58 IonicContact OE1-CZ 3.34Å; E43-R58 IonicContact OE1-NE 3.3Å; E43-R58 PolarHBondContact OE1-NE 3.5Å; E43-R58 IonicContact OE1-NH2 3.86Å; E43-R58 IonicContact OE2-NE 3.84Å; E43-R58 IonicContact OE2-NH2 2.95Å; E43-R58 PolarHBondContact OE2-NH2 2.98Å; V56-R58 HydrophobicContact CG1-CG 3.97Å; R58-I60 HydrophobicContact CB-CD1 4.21Å; R58-I60 HydrophobicContact CB-CG1 4.18Å; R58-E65 HydrophobicContact CB-CG 4.2Å; R58-E65 WeakPolarHBondContact CG-OE1 3.4Å; R58-E65 IonicContact CZ-OE2 3.74Å; R58-E65 IonicContact NH1-OE1 2.99Å; R58-E65 IonicContact NH1-OE2 2.78Å; R58-E65 PolarHBondContact NH1-OE2 3.08Å
59	F	96.7	Very high	94.1	Very high	27 Å²	27	56.6 Å²	56.6	12%	0.118	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.3	173.5	-58.9	-98.8	0	0	0	108.5	L40 T57 E65 F66 A67 F76 Y100	L40-F59 HydrophobicContact CD1-CD1 3.45Å; L40-F59 VanDerWaalsContact CD1-CD1 3.45Å; L40-F59 HydrophobicContact CD1-CD2 4.45Å; L40-F59 HydrophobicContact CD1-CE1 3.31Å; L40-F59 HydrophobicContact CD1-CE2 4.32Å; L40-F59 HydrophobicContact CD1-CG 4.04Å; L40-F59 HydrophobicContact CD1-CZ 3.79Å; T57-F59 HydrophobicContact CG2-CE2 4.31Å; T57-F59 HydrophobicContact CG2-CZ 4.43Å; F59-E65 WeakPolarHBondContact O-CA 3.36Å; F59-F66 HydrophobicContact CB-CD1 4.37Å; F59-F66 HydrophobicContact CB-CD2 4.48Å; F59-F66 HydrophobicContact CB-CE1 3.73Å; F59-F66 HydrophobicContact CB-CE2 3.85Å; F59-F66 HydrophobicContact CB-CZ 3.44Å; F59-F66 VanDerWaalsContact CB-CZ 3.44Å; F59-F66 HydrophobicContact CG-CZ 4.38Å; F59-F66 WeakPolarHBondContact O-CD1 3.42Å; F59-F66 PolarHBondContact O-N 3.2Å; F59-A67 WeakPolarHBondContact CB-O 3.5Å; F59-A67 HydrophobicContact CD2-CB 4.48Å; F59-A67 WeakPolarHBondContact CD2-O 3.28Å; F59-A67 PolarHBondContact N-O 3.48Å; F59-F76 AromaticContact CE2-CD1 3.97Å; F59-F76 HydrophobicContact CE2-CD1 3.97Å; F59-F76 AromaticContact CE2-CE1 3.66Å; F59-F76 HydrophobicContact CE2-CE1 3.66Å; F59-F76 HydrophobicContact CZ-CD1 4.5Å; F59-F76 AromaticContact CZ-CE1 3.81Å; F59-F76 HydrophobicContact CZ-CE1 3.81Å; F59-Y100 HydrophobicContact CZ-CE1 4.21Å; F59-Y100 AromaticContact CZ-CZ 3.94Å; F59-Y100 WeakPolarHBondContact CZ-OH 3.47Å
60	I	97.1	Very high	94.8	Very high	11 Å²	11	56.8 Å²	56.8	6%	0.056	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.5	-168.1	-55.3	168.5	0	0	0	109.1	E38 Q39 K41 R58 E64 E65	E38-I60 CarbonylContact C-O 3.54Å; E38-I60 WeakPolarHBondContact CA-O 3.3Å; Q39-I60 HydrophobicContact CB-CB 4.22Å; Q39-I60 PolarHBondContact N-O 3Å; Q39-I60 PolarHBondContact O-N 3.42Å; K41-I60 HydrophobicContact CD-CD1 3.69Å; K41-I60 HydrophobicContact CG-CD1 4.02Å; R58-I60 HydrophobicContact CB-CD1 4.21Å; R58-I60 HydrophobicContact CB-CG1 4.18Å; I60-E64 CarbonylContact C-O 3.51Å; I60-E64 WeakPolarHBondContact CA-O 3.29Å; I60-E65 HydrophobicContact CG1-CB 4.04Å; I60-E65 HydrophobicContact CG1-CG 4.14Å
61	Y	94.6	Very high	95.3	Very high	91 Å²	91	52.7 Å²	52.7	36%	0.357	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.2	175.3	-164.1	-95.2	0	0	0	110	F36 L37 E38 Q63 E64	F36-Y61 HydrophobicContact CB-CE2 4.49Å; F36-Y61 WeakPolarHBondContact CB-OH 3.39Å; F36-Y61 AromaticContact CD1-CE1 3.99Å; F36-Y61 HydrophobicContact CD1-CE1 3.99Å; F36-Y61 AromaticContact CD1-CZ 3.77Å; F36-Y61 WeakPolarHBondContact CD1-OH 3.41Å; F36-Y61 WeakPolarHBondContact CG-OH 3.35Å; L37-Y61 CarbonylContact O-C 3.43Å; L37-Y61 WeakPolarHBondContact O-CA 3.26Å; E38-Y61 HydrophobicContact CB-CD2 4.24Å; Y61-Q63 PolarHBondContact O-N 3.17Å; Y61-Q63 VanDerWaalsContact O-N 3.11Å; Y61-E64 PolarHBondContact N-O 3.24Å; Y61-E64 WeakPolarHBondContact O-CB 3.38Å; Y61-E64 PolarHBondContact O-N 3.03Å
62	N	92.5	Very high	95.9	Very high	73 Å²	73	50.6 Å²	50.6	39%	0.39	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	39	-177.6	-68.6	-19.6	0	0	0	113.9	F36 L37 E64	F36-N62 WeakPolarHBondContact CA-OD1 3.47Å; L37-N62 PolarHBondContact N-OD1 3.17Å; L37-N62 PolarHBondContact O-N 3.13Å; N62-E64 VanDerWaalsContact C-N 3.27Å; N62-E64 PolarHBondContact O-N 2.93Å
63	Q	92.8	Very high	96.2	Very high	169 Å²	169	50.8 Å²	50.8	79%	0.79	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	-2	-176.5	-46.7	171.7	24.7	0	0	115.6	Y61	Y61-Q63 PolarHBondContact O-N 3.17Å; Y61-Q63 VanDerWaalsContact O-N 3.11Å
64	E	95.6	Very high	96.4	Very high	122 Å²	122	50.8 Å²	50.8	57%	0.57	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	115.3	173.3	-170.2	174.6	178.2	0	0	110.3	I60 Y61 N62 F66 T80	I60-E64 CarbonylContact C-O 3.51Å; I60-E64 WeakPolarHBondContact CA-O 3.29Å; Y61-E64 PolarHBondContact N-O 3.24Å; Y61-E64 WeakPolarHBondContact O-CB 3.38Å; Y61-E64 PolarHBondContact O-N 3.03Å; N62-E64 VanDerWaalsContact C-N 3.27Å; N62-E64 PolarHBondContact O-N 2.93Å; E64-F66 PolarHBondContact O-N 3.3Å; E64-T80 HydrophobicContact CG-CG2 4.18Å; E64-T80 WeakPolarHBondContact OE1-CG2 2.99Å
65	E	97.6	Very high	96.6	Very high	31 Å²	31	51.3 Å²	51.3	15%	0.145	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	115.8	172.6	-172.7	-176.5	167.6	0	0	109.6	R58 F59 I60 R68 V79 T80	R58-E65 HydrophobicContact CB-CG 4.2Å; R58-E65 WeakPolarHBondContact CG-OE1 3.4Å; R58-E65 IonicContact CZ-OE2 3.74Å; R58-E65 IonicContact NH1-OE1 2.99Å; R58-E65 IonicContact NH1-OE2 2.78Å; R58-E65 PolarHBondContact NH1-OE2 3.08Å; F59-E65 WeakPolarHBondContact O-CA 3.36Å; I60-E65 HydrophobicContact CG1-CB 4.04Å; I60-E65 HydrophobicContact CG1-CG 4.14Å; E65-R68 WeakPolarHBondContact OE1-CB 3.06Å; E65-R68 IonicContact OE1-CZ 2.81Å; E65-R68 IonicContact OE1-NE 3.49Å; E65-R68 PolarHBondContact OE1-NE 3.02Å; E65-R68 IonicContact OE1-NH2 3.58Å; E65-R68 PolarHBondContact OE1-NH2 3.49Å; E65-R68 IonicContact OE2-CZ 2.83Å; E65-R68 IonicContact OE2-NE 2.79Å; E65-R68 IonicContact OE2-NH2 3.48Å; E65-R68 PolarHBondContact OE2-NH2 3.12Å; E65-V79 HydrophobicContact CG-CG2 4.13Å; E65-V79 WeakPolarHBondContact O-CB 3.38Å; E65-V79 WeakPolarHBondContact O-CG1 3.34Å; E65-T80 WeakPolarHBondContact O-CG2 3.34Å
66	F	96.9	Very high	96.6	Very high	19 Å²	19	51.3 Å²	51.3	8%	0.083	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-31.5	-177	64.8	-93.9	0	0	0	112.9	F59 E64 V79 T80 G83 I86	F59-F66 HydrophobicContact CB-CD1 4.37Å; F59-F66 HydrophobicContact CB-CD2 4.48Å; F59-F66 HydrophobicContact CB-CE1 3.73Å; F59-F66 HydrophobicContact CB-CE2 3.85Å; F59-F66 HydrophobicContact CB-CZ 3.44Å; F59-F66 VanDerWaalsContact CB-CZ 3.44Å; F59-F66 HydrophobicContact CG-CZ 4.38Å; F59-F66 WeakPolarHBondContact O-CD1 3.42Å; F59-F66 PolarHBondContact O-N 3.2Å; E64-F66 PolarHBondContact O-N 3.3Å; F66-V79 PolarHBondContact O-N 2.97Å; F66-T80 WeakPolarHBondContact CA-OG1 3.29Å; F66-T80 WeakPolarHBondContact CB-OG1 2.83Å; F66-T80 PolarHBondContact O-N 2.93Å; F66-G83 WeakPolarHBondContact O-CA 3.49Å; F66-I86 HydrophobicContact CD2-CD1 3.83Å; F66-I86 HydrophobicContact CE2-CD1 3.59Å; F66-I86 HydrophobicContact CE2-CG2 4.18Å; F66-I86 HydrophobicContact CZ-CD1 4.49Å
67	A	97.8	Very high	96.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	159.5	177.7	0	0	0	0	0	111.3	F59 L77	F59-A67 WeakPolarHBondContact CB-O 3.5Å; F59-A67 HydrophobicContact CD2-CB 4.48Å; F59-A67 WeakPolarHBondContact CD2-O 3.28Å; F59-A67 PolarHBondContact N-O 3.48Å; A67-L77 CarbonylContact C-O 3.58Å; A67-L77 WeakPolarHBondContact CA-O 3.29Å
68	R	98	Very high	96.7	Very high	62 Å²	62	55 Å²	55	23%	0.234	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	149	172	63	177.1	63.2	162.7	7.5	112.7	T57 E65 F76 L77 V79	T57-R68 CarbonylContact O-C 3.49Å; T57-R68 WeakPolarHBondContact O-CA 3.45Å; T57-R68 WeakPolarHBondContact O-CB 3.44Å; E65-R68 WeakPolarHBondContact OE1-CB 3.06Å; E65-R68 IonicContact OE1-CZ 2.81Å; E65-R68 IonicContact OE1-NE 3.49Å; E65-R68 PolarHBondContact OE1-NE 3.02Å; E65-R68 IonicContact OE1-NH2 3.58Å; E65-R68 PolarHBondContact OE1-NH2 3.49Å; E65-R68 IonicContact OE2-CZ 2.83Å; E65-R68 IonicContact OE2-NE 2.79Å; E65-R68 IonicContact OE2-NH2 3.48Å; E65-R68 PolarHBondContact OE2-NH2 3.12Å; R68-F76 CarbonylContact O-C 3.56Å; R68-F76 VanDerWaalsContact O-CA 3.25Å; R68-F76 WeakPolarHBondContact O-CA 3.36Å; R68-L77 HydrophobicContact CG-CB 4.2Å; R68-L77 PolarHBondContact N-O 3.5Å; R68-L77 PolarHBondContact O-N 3.35Å; R68-V79 HydrophobicContact CG-CG2 4.11Å
69	F	98.2	Very high	96.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.8	156.5	177.3	-95.8	0	0	0	108.9	V56 T57 F76 L97 Y100 R101	V56-F69 WeakPolarHBondContact CA-O 3.27Å; T57-F69 PolarHBondContact N-O 3.09Å; T57-F69 PolarHBondContact O-N 2.72Å; F69-F76 HydrophobicContact CB-CD1 3.81Å; F69-F76 HydrophobicContact CB-CE1 3.76Å; F69-F76 HydrophobicContact CB-CG 4.48Å; F69-F76 HydrophobicContact CB-CZ 4.39Å; F69-F76 HydrophobicContact CD2-CD2 4.37Å; F69-F76 HydrophobicContact CD2-CE1 4.49Å; F69-F76 HydrophobicContact CD2-CE2 4.33Å; F69-F76 HydrophobicContact CD2-CG 4.49Å; F69-F76 HydrophobicContact CD2-CZ 4.4Å; F69-L97 HydrophobicContact CD2-CD1 4.47Å; F69-L97 HydrophobicContact CE2-CD1 4.05Å; F69-Y100 HydrophobicContact CB-CD1 3.82Å; F69-Y100 HydrophobicContact CB-CE1 4.46Å; F69-Y100 HydrophobicContact CB-CG 4.38Å; F69-Y100 HydrophobicContact CD1-CD1 4.09Å; F69-Y100 HydrophobicContact CD1-CG 4.47Å; F69-Y100 HydrophobicContact CD2-CD1 4.48Å; F69-Y100 HydrophobicContact CD2-CG 4.28Å; F69-Y100 WeakPolarHBondContact CE1-O 3.21Å; F69-Y100 AromaticContact CG-CD1 3.88Å; F69-Y100 HydrophobicContact CG-CD1 3.88Å; F69-Y100 HydrophobicContact CG-CG 4.12Å; F69-Y100 VanDerWaalsContact CZ-C 3.45Å; F69-Y100 WeakPolarHBondContact CZ-O 3.46Å; F69-R101 HydrophobicContact CE2-CG 4.24Å; F69-R101 HydrophobicContact CZ-CG 4.03Å
70	D	97.8	Very high	96.6	Very high	23 Å²	23	55.7 Å²	55.7	12%	0.123	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	119	174.4	-173.7	-32.8	0	0	0	108.9	V72 F73 G74 K75 L77	D70-V72 PolarHBondContact O-N 3.42Å; D70-V72 VanDerWaalsContact OD1-CB 3.25Å; D70-V72 WeakPolarHBondContact OD1-CB 3.42Å; D70-V72 WeakPolarHBondContact OD1-CG2 3.44Å; D70-V72 PolarHBondContact OD1-N 2.91Å; D70-F73 HydrophobicContact CB-CD2 3.89Å; D70-F73 PolarHBondContact O-N 3.12Å; D70-F73 VanDerWaalsContact O-N 3.12Å; D70-G74 PolarHBondContact O-N 3.46Å; D70-K75 PolarHBondContact N-O 2.84Å; D70-L77 HydrophobicContact CB-CD1 4.23Å
71	S	96.5	Very high	96.5	Very high	25 Å²	25	61.6 Å²	61.6	18%	0.175	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-22.1	-176.1	71	0	0	0	0	113.5	W54 S55 F73 G74 V104	W54-S71 WeakPolarHBondContact CA-OG 3.49Å; W54-S71 WeakPolarHBondContact CB-OG 3.46Å; S55-S71 PolarHBondContact N-OG 3.49Å; S55-S71 WeakPolarHBondContact O-CB 3.31Å; S55-S71 PolarHBondContact O-N 3Å; S55-S71 PolarHBondContact O-OG 2.92Å; S55-S71 WeakPolarHBondContact OG-CB 3.44Å; S71-F73 VanDerWaalsContact C-N 3.25Å; S71-F73 PolarHBondContact O-N 2.97Å; S71-G74 PolarHBondContact O-N 3.49Å; S71-V104 WeakPolarHBondContact OG-CG2 3.45Å
72	V	95.4	Very high	96.3	Very high	104 Å²	104	62.9 Å²	62.9	63%	0.63	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-38.1	174.8	179	0	0	0	0	110.1	W54 D70	W54-V72 HydrophobicContact CB-CG2 4.13Å; W54-V72 HydrophobicContact CG-CG2 4.46Å; D70-V72 PolarHBondContact O-N 3.42Å; D70-V72 VanDerWaalsContact OD1-CB 3.25Å; D70-V72 WeakPolarHBondContact OD1-CB 3.42Å; D70-V72 WeakPolarHBondContact OD1-CG2 3.44Å; D70-V72 PolarHBondContact OD1-N 2.91Å
73	F	96.4	Very high	96.5	Very high	124 Å²	124	59.4 Å²	59.4	54%	0.544	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-16.3	176.3	-59.1	-79.9	0	0	0	113	D70 S71 K75 L77	D70-F73 HydrophobicContact CB-CD2 3.89Å; D70-F73 PolarHBondContact O-N 3.12Å; D70-F73 VanDerWaalsContact O-N 3.12Å; S71-F73 VanDerWaalsContact C-N 3.25Å; S71-F73 PolarHBondContact O-N 2.97Å; F73-K75 HydrophobicContact CB-CG 4.13Å; F73-K75 PolarHBondContact O-N 3.36Å; F73-L77 HydrophobicContact CD2-CD1 3.62Å; F73-L77 HydrophobicContact CE2-CD1 3.95Å; F73-L77 HydrophobicContact CG-CD1 4.17Å
74	G	96.8	Very high	96.7	Very high	15 Å²	15	57.1 Å²	57.1	16%	0.155	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	28	-179.5	0	0	0	0	0	113.4	D70 S71 R101	D70-G74 PolarHBondContact O-N 3.46Å; S71-G74 PolarHBondContact O-N 3.49Å; G74-R101 PolarHBondContact O-NE 3.15Å; G74-R101 PolarHBondContact O-NH2 2.75Å
75	K	97.8	Very high	96.8	Very high	101 Å²	101	55.1 Å²	55.1	44%	0.439	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	167.4	-177.5	70.8	177.8	-180	178.2	0	112.9	D70 F73 L77 N91 L97	D70-K75 PolarHBondContact N-O 2.84Å; F73-K75 HydrophobicContact CB-CG 4.13Å; F73-K75 PolarHBondContact O-N 3.36Å; K75-L77 HydrophobicContact CG-CD2 4.21Å; K75-N91 WeakPolarHBondContact CB-OD1 3.13Å; K75-L97 HydrophobicContact CB-CD1 4.38Å
76	F	98.1	Very high	96.6	Very high	3 Å²	3	56.6 Å²	56.6	1%	0.013	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	138.2	172	-62.3	-90.8	0	0	0	111	F59 R68 F69 A87 L90 N91 M96 L97 Y100	F59-F76 AromaticContact CE2-CD1 3.97Å; F59-F76 HydrophobicContact CE2-CD1 3.97Å; F59-F76 AromaticContact CE2-CE1 3.66Å; F59-F76 HydrophobicContact CE2-CE1 3.66Å; F59-F76 HydrophobicContact CZ-CD1 4.5Å; F59-F76 AromaticContact CZ-CE1 3.81Å; F59-F76 HydrophobicContact CZ-CE1 3.81Å; R68-F76 CarbonylContact O-C 3.56Å; R68-F76 VanDerWaalsContact O-CA 3.25Å; R68-F76 WeakPolarHBondContact O-CA 3.36Å; F69-F76 HydrophobicContact CB-CD1 3.81Å; F69-F76 HydrophobicContact CB-CE1 3.76Å; F69-F76 HydrophobicContact CB-CG 4.48Å; F69-F76 HydrophobicContact CB-CZ 4.39Å; F69-F76 HydrophobicContact CD2-CD2 4.37Å; F69-F76 HydrophobicContact CD2-CE1 4.49Å; F69-F76 HydrophobicContact CD2-CE2 4.33Å; F69-F76 HydrophobicContact CD2-CG 4.49Å; F69-F76 HydrophobicContact CD2-CZ 4.4Å; F76-A87 HydrophobicContact CB-CB 4.11Å; F76-L90 HydrophobicContact CB-CB 4.32Å; F76-L90 HydrophobicContact CD1-CB 4.24Å; F76-L90 HydrophobicContact CD1-CD1 3.71Å; F76-L90 HydrophobicContact CD2-CB 3.54Å; F76-L90 HydrophobicContact CE1-CB 4.43Å; F76-L90 HydrophobicContact CE1-CD1 3.87Å; F76-L90 HydrophobicContact CE2-CB 3.77Å; F76-L90 HydrophobicContact CG-CB 3.78Å; F76-L90 HydrophobicContact CG-CD1 4.05Å; F76-L90 HydrophobicContact CZ-CB 4.2Å; F76-L90 HydrophobicContact CZ-CD1 4.34Å; F76-N91 WeakPolarHBondContact CD2-OD1 3.45Å; F76-N91 PolarHBondContact N-OD1 3.27Å; F76-N91 PolarHBondContact O-ND2 2.85Å; F76-M96 HydrophobicContact CZ-CG 4.48Å; F76-L97 HydrophobicContact CD2-CD1 4.12Å; F76-L97 HydrophobicContact CE2-CD1 4.13Å; F76-Y100 HydrophobicContact CE1-CD1 4.32Å; F76-Y100 HydrophobicContact CE1-CD2 4.22Å; F76-Y100 HydrophobicContact CE1-CE1 4.29Å; F76-Y100 HydrophobicContact CE1-CE2 4.21Å; F76-Y100 HydrophobicContact CE1-CG 4.28Å; F76-Y100 HydrophobicContact CE2-CD2 4.25Å; F76-Y100 HydrophobicContact CZ-CD1 4.21Å; F76-Y100 AromaticContact CZ-CD2 3.41Å; F76-Y100 HydrophobicContact CZ-CD2 3.41Å; F76-Y100 VanDerWaalsContact CZ-CD2 3.41Å; F76-Y100 HydrophobicContact CZ-CE1 4.39Å; F76-Y100 AromaticContact CZ-CE2 3.65Å; F76-Y100 HydrophobicContact CZ-CE2 3.65Å; F76-Y100 AromaticContact CZ-CG 3.72Å; F76-Y100 HydrophobicContact CZ-CG 3.72Å
77	L	98.1	Very high	96.7	Very high	48 Å²	48	55.9 Å²	55.9	25%	0.251	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	134.9	177.9	-57.2	177.1	0	0	0	108.6	A67 R68 D70 F73 K75	A67-L77 CarbonylContact C-O 3.58Å; A67-L77 WeakPolarHBondContact CA-O 3.29Å; R68-L77 HydrophobicContact CG-CB 4.2Å; R68-L77 PolarHBondContact N-O 3.5Å; R68-L77 PolarHBondContact O-N 3.35Å; D70-L77 HydrophobicContact CB-CD1 4.23Å; F73-L77 HydrophobicContact CD2-CD1 3.62Å; F73-L77 HydrophobicContact CE2-CD1 3.95Å; F73-L77 HydrophobicContact CG-CD1 4.17Å; K75-L77 HydrophobicContact CG-CD2 4.21Å
78	A	97.6	Very high	96.6	Very high	48 Å²	48	61.5 Å²	61.5	40%	0.397	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	132.5	168.9	0	0	0	0	0	109.4	R84 A87	A78-R84 HydrophobicContact CB-CB 4.19Å; A78-A87 HydrophobicContact CB-CB 4.17Å
79	V	97.6	Very high	96.6	Very high	68 Å²	68	65.2 Å²	65.2	41%	0.412	33%	0.334	S	S	.	.	S	Bend	trans	-96.1	-31.6	172.9	-179.5	0	0	0	0	109.8	E65 F66 R68	E65-V79 HydrophobicContact CG-CG2 4.13Å; E65-V79 WeakPolarHBondContact O-CB 3.38Å; E65-V79 WeakPolarHBondContact O-CG1 3.34Å; F66-V79 PolarHBondContact O-N 2.97Å; R68-V79 HydrophobicContact CG-CG2 4.11Å
80	T	96.3	Very high	96.5	Very high	32 Å²	32	66 Å²	66	20%	0.196	34%	0.338	C	S	.	.	S	Bend	trans	-127.3	166.6	177.3	68.9	0	0	0	0	111	E64 E65 F66 L82 G83 R84	E64-T80 HydrophobicContact CG-CG2 4.18Å; E64-T80 WeakPolarHBondContact OE1-CG2 2.99Å; E65-T80 WeakPolarHBondContact O-CG2 3.34Å; F66-T80 WeakPolarHBondContact CA-OG1 3.29Å; F66-T80 WeakPolarHBondContact CB-OG1 2.83Å; F66-T80 PolarHBondContact O-N 2.93Å; T80-L82 VanDerWaalsContact C-N 3.26Å; T80-L82 PolarHBondContact O-N 2.8Å; T80-G83 PolarHBondContact O-N 3.33Å; T80-R84 PolarHBondContact O-N 2.65Å
81	E	94.4	Very high	96.5	Very high	135 Å²	135	67.2 Å²	67.2	63%	0.631	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-35.5	176.6	-69.2	-57.5	148.2	0	0	112.5	G83 R84	E81-G83 PolarHBondContact O-N 3.22Å; E81-R84 VanDerWaalsContact CD-NH2 3.27Å; E81-R84 WeakPolarHBondContact O-CB 3.47Å; E81-R84 PolarHBondContact O-N 3.21Å; E81-R84 IonicContact OE1-CZ 3.99Å; E81-R84 IonicContact OE1-NH2 2.67Å; E81-R84 PolarHBondContact OE1-NH2 3.14Å; E81-R84 IonicContact OE2-CZ 3.84Å; E81-R84 VanDerWaalsContact OE2-CZ 3.3Å; E81-R84 IonicContact OE2-NE 3.09Å; E81-R84 PolarHBondContact OE2-NE 3.24Å; E81-R84 IonicContact OE2-NH2 3.56Å; E81-R84 PolarHBondContact OE2-NH2 3.16Å
82	L	90.4	Very high	96.6	Very high	119 Å²	119	70.7 Å²	70.7	62%	0.623	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-36.8	174.4	-178.7	67.9	0	0	0	111.6	T80 R84 P85	T80-L82 VanDerWaalsContact C-N 3.26Å; T80-L82 PolarHBondContact O-N 2.8Å; L82-R84 VanDerWaalsContact C-N 3.34Å; L82-P85 WeakPolarHBondContact O-CD 3.39Å
83	G	95.7	Very high	96.7	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-78.2	-13	-179.9	0	0	0	0	0	115	F66 T80 E81 I86 A87	F66-G83 WeakPolarHBondContact O-CA 3.49Å; T80-G83 PolarHBondContact O-N 3.33Å; E81-G83 PolarHBondContact O-N 3.22Å; G83-I86 PolarHBondContact O-N 3.33Å; G83-A87 WeakPolarHBondContact O-CB 3.03Å; G83-A87 PolarHBondContact O-N 2.64Å
84	R	97.6	Very high	96.6	Very high	121 Å²	121	70.5 Å²	70.5	46%	0.457	36%	0.356	S	S	.	.	H	α-helix	trans	-56.7	-59.1	-179.9	-173.7	-170.4	-61.4	-96.9	0.8	113.3	A78 T80 E81 L82 I86 A87 E88	A78-R84 HydrophobicContact CB-CB 4.19Å; T80-R84 PolarHBondContact O-N 2.65Å; E81-R84 VanDerWaalsContact CD-NH2 3.27Å; E81-R84 WeakPolarHBondContact O-CB 3.47Å; E81-R84 PolarHBondContact O-N 3.21Å; E81-R84 IonicContact OE1-CZ 3.99Å; E81-R84 IonicContact OE1-NH2 2.67Å; E81-R84 PolarHBondContact OE1-NH2 3.14Å; E81-R84 IonicContact OE2-CZ 3.84Å; E81-R84 VanDerWaalsContact OE2-CZ 3.3Å; E81-R84 IonicContact OE2-NE 3.09Å; E81-R84 PolarHBondContact OE2-NE 3.24Å; E81-R84 IonicContact OE2-NH2 3.56Å; E81-R84 PolarHBondContact OE2-NH2 3.16Å; L82-R84 VanDerWaalsContact C-N 3.34Å; R84-I86 PolarHBondContact O-N 3.28Å; R84-A87 PolarHBondContact O-N 2.84Å; R84-E88 WeakPolarHBondContact O-CG 3.31Å; R84-E88 PolarHBondContact O-N 2.64Å
85	P	97.3	Very high	96.6	Very high	79 Å²	79	76.5 Å²	76.5	51%	0.513	39%	0.385	S	S	.	.	H	α-helix	trans	-62.4	-30.7	178.9	25.4	-35.5	0	0	0	112.3	L82 Y89	L82-P85 WeakPolarHBondContact O-CD 3.39Å; P85-Y89 VanDerWaalsContact O-CB 3.29Å; P85-Y89 WeakPolarHBondContact O-CB 3.49Å; P85-Y89 PolarHBondContact O-N 3.19Å
86	I	95.1	Very high	96.5	Very high	63 Å²	63	75.1 Å²	75.1	32%	0.323	38%	0.381	S	S	.	.	H	α-helix	trans	-69.7	-50.1	179.1	-58.7	171.5	0	0	0	110.3	F66 G83 R84 E88 Y89 L90	F66-I86 HydrophobicContact CD2-CD1 3.83Å; F66-I86 HydrophobicContact CE2-CD1 3.59Å; F66-I86 HydrophobicContact CE2-CG2 4.18Å; F66-I86 HydrophobicContact CZ-CD1 4.49Å; G83-I86 PolarHBondContact O-N 3.33Å; R84-I86 PolarHBondContact O-N 3.28Å; I86-E88 VanDerWaalsContact C-N 3.34Å; I86-E88 PolarHBondContact O-N 2.94Å; I86-Y89 PolarHBondContact O-N 2.89Å; I86-L90 HydrophobicContact CG2-CD1 3.74Å; I86-L90 HydrophobicContact CG2-CG 4.17Å; I86-L90 WeakPolarHBondContact O-CB 3.5Å; I86-L90 WeakPolarHBondContact O-CG 3.03Å; I86-L90 PolarHBondContact O-N 3.48Å
87	A	97.4	Very high	96.4	Very high	4 Å²	4	75.6 Å²	75.6	3%	0.033	38%	0.384	C	S	.	.	H	α-helix	trans	-62.7	-41.4	179.2	0	0	0	0	0	111.6	F76 A78 G83 R84 L90 N91	F76-A87 HydrophobicContact CB-CB 4.11Å; A78-A87 HydrophobicContact CB-CB 4.17Å; G83-A87 WeakPolarHBondContact O-CB 3.03Å; G83-A87 PolarHBondContact O-N 2.64Å; R84-A87 PolarHBondContact O-N 2.84Å; A87-L90 PolarHBondContact O-N 3.13Å; A87-N91 WeakPolarHBondContact O-CB 3.45Å; A87-N91 PolarHBondContact O-N 3.3Å; A87-N91 PolarHBondContact O-ND2 3.15Å
88	E	97.3	Very high	96.3	Very high	117 Å²	117	76.3 Å²	76.3	55%	0.547	39%	0.388	S	S	.	.	H	α-helix	trans	-59.1	-50.7	173.6	-73.5	172.2	-173.1	0	0	111	R84 I86 L90 N91 T92	R84-E88 WeakPolarHBondContact O-CG 3.31Å; R84-E88 PolarHBondContact O-N 2.64Å; I86-E88 VanDerWaalsContact C-N 3.34Å; I86-E88 PolarHBondContact O-N 2.94Å; E88-L90 PolarHBondContact O-N 3.39Å; E88-N91 PolarHBondContact O-N 3.38Å; E88-T92 WeakPolarHBondContact O-CG2 3.41Å; E88-T92 PolarHBondContact O-N 3.45Å
89	Y	96.8	Very high	96.2	Very high	141 Å²	141	78 Å²	78	55%	0.553	39%	0.39	S	S	*	.	H	α-helix	trans	-57.8	-50.7	176.5	176.4	-103.3	0	0	0	112.1	P85 I86 N91 T92 Q93	P85-Y89 VanDerWaalsContact O-CB 3.29Å; P85-Y89 WeakPolarHBondContact O-CB 3.49Å; P85-Y89 PolarHBondContact O-N 3.19Å; I86-Y89 PolarHBondContact O-N 2.89Å; Y89-N91 PolarHBondContact O-N 3.38Å; Y89-T92 WeakPolarHBondContact O-CB 3.39Å; Y89-T92 PolarHBondContact O-N 2.98Å; Y89-T92 PolarHBondContact O-OG1 2.98Å; Y89-Q93 HydrophobicContact CD1-CG 4.44Å; Y89-Q93 HydrophobicContact CE1-CG 4.02Å; Y89-Q93 PolarHBondContact O-N 3.43Å; Y89-Q93 PolarHBondContact OH-NE2 2.98Å
90	L	96.5	Very high	96.2	Very high	15 Å²	15	76.1 Å²	76.1	8%	0.079	38%	0.376	C	S	.	.	H	α-helix	trans	-59.5	-35	179.9	-67.8	171.7	0	0	0	112.5	F76 I86 A87 E88 T92 Q93 M96	F76-L90 HydrophobicContact CB-CB 4.32Å; F76-L90 HydrophobicContact CD1-CB 4.24Å; F76-L90 HydrophobicContact CD1-CD1 3.71Å; F76-L90 HydrophobicContact CD2-CB 3.54Å; F76-L90 HydrophobicContact CE1-CB 4.43Å; F76-L90 HydrophobicContact CE1-CD1 3.87Å; F76-L90 HydrophobicContact CE2-CB 3.77Å; F76-L90 HydrophobicContact CG-CB 3.78Å; F76-L90 HydrophobicContact CG-CD1 4.05Å; F76-L90 HydrophobicContact CZ-CB 4.2Å; F76-L90 HydrophobicContact CZ-CD1 4.34Å; I86-L90 HydrophobicContact CG2-CD1 3.74Å; I86-L90 HydrophobicContact CG2-CG 4.17Å; I86-L90 WeakPolarHBondContact O-CB 3.5Å; I86-L90 WeakPolarHBondContact O-CG 3.03Å; I86-L90 PolarHBondContact O-N 3.48Å; A87-L90 PolarHBondContact O-N 3.13Å; E88-L90 PolarHBondContact O-N 3.39Å; L90-T92 VanDerWaalsContact C-N 3.26Å; L90-T92 PolarHBondContact O-N 3.31Å; L90-Q93 PolarHBondContact O-N 2.98Å; L90-M96 HydrophobicContact CD2-CE 3.62Å; L90-M96 HydrophobicContact CD2-SD 3.26Å; L90-M96 WeakPolarHBondContact CD2-SD 3.48Å
91	N	97.9	Very high	96.2	Very high	49 Å²	49	80 Å²	80	26%	0.262	39%	0.387	S	S	.	.	H	α-helix	trans	-70.4	-19.6	175.7	-74.9	-35.8	0	0	0	113.6	K75 F76 A87 E88 Y89	K75-N91 WeakPolarHBondContact CB-OD1 3.13Å; F76-N91 WeakPolarHBondContact CD2-OD1 3.45Å; F76-N91 PolarHBondContact N-OD1 3.27Å; F76-N91 PolarHBondContact O-ND2 2.85Å; A87-N91 WeakPolarHBondContact O-CB 3.45Å; A87-N91 PolarHBondContact O-N 3.3Å; A87-N91 PolarHBondContact O-ND2 3.15Å; E88-N91 PolarHBondContact O-N 3.38Å; Y89-N91 PolarHBondContact O-N 3.38Å
92	T	97.4	Very high	96.2	Very high	99 Å²	99	75.5 Å²	75.5	61%	0.607	37%	0.372	S	S	*	.	H	α-helix	trans	-82.2	-21.5	172.9	68.5	0	0	0	0	112.9	E88 Y89 L90 K94	E88-T92 WeakPolarHBondContact O-CG2 3.41Å; E88-T92 PolarHBondContact O-N 3.45Å; Y89-T92 WeakPolarHBondContact O-CB 3.39Å; Y89-T92 PolarHBondContact O-N 2.98Å; Y89-T92 PolarHBondContact O-OG1 2.98Å; L90-T92 VanDerWaalsContact C-N 3.26Å; L90-T92 PolarHBondContact O-N 3.31Å; T92-K94 PolarHBondContact O-N 3.28Å; T92-K94 VanDerWaalsContact O-N 3.14Å
93	Q	97.6	Very high	96.4	Very high	73 Å²	73	70.3 Å²	70.3	34%	0.341	35%	0.346	S	S	.	.			trans	-81	91.3	-179.7	-59.8	-60.2	-45.6	0	0	110.5	Y89 L90 D95 M96 L97	Y89-Q93 HydrophobicContact CD1-CG 4.44Å; Y89-Q93 HydrophobicContact CE1-CG 4.02Å; Y89-Q93 PolarHBondContact O-N 3.43Å; Y89-Q93 PolarHBondContact OH-NE2 2.98Å; L90-Q93 PolarHBondContact O-N 2.98Å; Q93-D95 PolarHBondContact O-N 2.89Å; Q93-M96 HydrophobicContact CB-CB 3.88Å; Q93-M96 PolarHBondContact O-N 2.86Å; Q93-L97 WeakPolarHBondContact O-CB 3.37Å; Q93-L97 PolarHBondContact O-N 3.28Å
94	K	95.9	Very high	96.3	Very high	150 Å²	150	71.2 Å²	71.2	65%	0.652	35%	0.351	S	S	*	.	H	α-helix	trans	-54.8	-51.3	-173.1	-173.1	177.2	178.4	-175.6	0	113.5	T92 M96 L97 D98	T92-K94 PolarHBondContact O-N 3.28Å; T92-K94 VanDerWaalsContact O-N 3.14Å; K94-M96 VanDerWaalsContact C-N 3.25Å; K94-M96 PolarHBondContact O-N 3.22Å; K94-L97 PolarHBondContact O-N 3.11Å; K94-D98 WeakPolarHBondContact CG-OD2 3.48Å; K94-D98 WeakPolarHBondContact O-CB 3.3Å; K94-D98 PolarHBondContact O-N 2.78Å
95	D	96.4	Very high	96.1	Very high	141 Å²	141	69.3 Å²	69.3	75%	0.754	35%	0.351	S	S	*	.	H	α-helix	trans	-61.4	-37.8	-177.5	-61	-23.2	0	0	0	111.8	Q93 N99	Q93-D95 PolarHBondContact O-N 2.89Å; D95-N99 WeakPolarHBondContact O-CB 3.42Å; D95-N99 PolarHBondContact O-N 2.94Å
96	M	94.3	Very high	95.8	Very high	72 Å²	72	70.5 Å²	70.5	36%	0.355	35%	0.345	S	S	.	.	H	α-helix	trans	-67.9	-52.8	176.7	-168	172.2	-155.4	0	0	110.5	F76 L90 Q93 K94 D98 N99 Y100	F76-M96 HydrophobicContact CZ-CG 4.48Å; L90-M96 HydrophobicContact CD2-CE 3.62Å; L90-M96 HydrophobicContact CD2-SD 3.26Å; L90-M96 WeakPolarHBondContact CD2-SD 3.48Å; Q93-M96 HydrophobicContact CB-CB 3.88Å; Q93-M96 PolarHBondContact O-N 2.86Å; K94-M96 VanDerWaalsContact C-N 3.25Å; K94-M96 PolarHBondContact O-N 3.22Å; M96-D98 VanDerWaalsContact C-N 3.29Å; M96-D98 PolarHBondContact O-N 3.02Å; M96-N99 WeakPolarHBondContact O-CB 3.24Å; M96-N99 PolarHBondContact O-N 2.85Å; M96-N99 VanDerWaalsContact O-N 3.11Å; M96-Y100 HydrophobicContact CE-CE2 4.13Å; M96-Y100 HydrophobicContact CG-CD2 4.04Å; M96-Y100 HydrophobicContact CG-CE2 3.87Å; M96-Y100 VanDerWaalsContact O-CD2 3.27Å; M96-Y100 WeakPolarHBondContact O-CD2 3.4Å; M96-Y100 PolarHBondContact O-N 2.83Å
97	L	96.8	Very high	95.7	Very high	14 Å²	14	67.7 Å²	67.7	7%	0.073	33%	0.331	C	S	.	.	H	α-helix	trans	-56.9	-43.4	180	-179.8	58.5	0	0	0	112	F69 K75 F76 Q93 K94 Y100 R101	F69-L97 HydrophobicContact CD2-CD1 4.47Å; F69-L97 HydrophobicContact CE2-CD1 4.05Å; K75-L97 HydrophobicContact CB-CD1 4.38Å; F76-L97 HydrophobicContact CD2-CD1 4.12Å; F76-L97 HydrophobicContact CE2-CD1 4.13Å; Q93-L97 WeakPolarHBondContact O-CB 3.37Å; Q93-L97 PolarHBondContact O-N 3.28Å; K94-L97 PolarHBondContact O-N 3.11Å; L97-Y100 PolarHBondContact O-N 3.04Å; L97-R101 WeakPolarHBondContact O-CG 3.45Å; L97-R101 PolarHBondContact O-N 2.86Å
98	D	96.9	Very high	95.5	Very high	62 Å²	62	71.5 Å²	71.5	33%	0.332	34%	0.344	S	S	.	.	H	α-helix	trans	-67.4	-37.6	178	-70.2	-17.8	0	0	0	111.6	K94 M96 Y100 R101 A102	K94-D98 WeakPolarHBondContact CG-OD2 3.48Å; K94-D98 WeakPolarHBondContact O-CB 3.3Å; K94-D98 PolarHBondContact O-N 2.78Å; M96-D98 VanDerWaalsContact C-N 3.29Å; M96-D98 PolarHBondContact O-N 3.02Å; D98-Y100 VanDerWaalsContact C-N 3.33Å; D98-Y100 PolarHBondContact O-N 2.77Å; D98-R101 PolarHBondContact O-N 2.83Å; D98-R101 IonicContact OD1-NH1 3.82Å; D98-R101 PolarHBondContact OD1-NH1 2.83Å; D98-A102 PolarHBondContact O-N 2.86Å
99	N	95.6	Very high	95.1	Very high	83 Å²	83	71.2 Å²	71.2	44%	0.444	35%	0.346	S	S	.	.	H	α-helix	trans	-61.7	-38.2	171.6	179.2	46.2	0	0	0	112.7	D95 M96 R106	D95-N99 WeakPolarHBondContact O-CB 3.42Å; D95-N99 PolarHBondContact O-N 2.94Å; M96-N99 WeakPolarHBondContact O-CB 3.24Å; M96-N99 PolarHBondContact O-N 2.85Å; M96-N99 VanDerWaalsContact O-N 3.11Å; N99-R106 PolarHBondContact O-NH1 3.38Å; N99-R106 PolarHBondContact O-NH2 2.81Å; N99-R106 PolarHBondContact OD1-NH1 2.91Å
100	Y	96.3	Very high	94.7	Very high	30 Å²	30	68.7 Å²	68.7	12%	0.118	34%	0.343	C	S	.	.	H	α-helix	trans	-72.9	-36.9	175.6	-82.9	-91.8	0	0	0	112.2	T57 F59 F69 F76 M96 L97 D98 A102 S103	T57-Y100 HydrophobicContact CG2-CE1 3.8Å; F59-Y100 HydrophobicContact CZ-CE1 4.21Å; F59-Y100 AromaticContact CZ-CZ 3.94Å; F59-Y100 WeakPolarHBondContact CZ-OH 3.47Å; F69-Y100 HydrophobicContact CB-CD1 3.82Å; F69-Y100 HydrophobicContact CB-CE1 4.46Å; F69-Y100 HydrophobicContact CB-CG 4.38Å; F69-Y100 HydrophobicContact CD1-CD1 4.09Å; F69-Y100 HydrophobicContact CD1-CG 4.47Å; F69-Y100 HydrophobicContact CD2-CD1 4.48Å; F69-Y100 HydrophobicContact CD2-CG 4.28Å; F69-Y100 WeakPolarHBondContact CE1-O 3.21Å; F69-Y100 AromaticContact CG-CD1 3.88Å; F69-Y100 HydrophobicContact CG-CD1 3.88Å; F69-Y100 HydrophobicContact CG-CG 4.12Å; F69-Y100 VanDerWaalsContact CZ-C 3.45Å; F69-Y100 WeakPolarHBondContact CZ-O 3.46Å; F76-Y100 HydrophobicContact CE1-CD1 4.32Å; F76-Y100 HydrophobicContact CE1-CD2 4.22Å; F76-Y100 HydrophobicContact CE1-CE1 4.29Å; F76-Y100 HydrophobicContact CE1-CE2 4.21Å; F76-Y100 HydrophobicContact CE1-CG 4.28Å; F76-Y100 HydrophobicContact CE2-CD2 4.25Å; F76-Y100 HydrophobicContact CZ-CD1 4.21Å; F76-Y100 AromaticContact CZ-CD2 3.41Å; F76-Y100 HydrophobicContact CZ-CD2 3.41Å; F76-Y100 VanDerWaalsContact CZ-CD2 3.41Å; F76-Y100 HydrophobicContact CZ-CE1 4.39Å; F76-Y100 AromaticContact CZ-CE2 3.65Å; F76-Y100 HydrophobicContact CZ-CE2 3.65Å; F76-Y100 AromaticContact CZ-CG 3.72Å; F76-Y100 HydrophobicContact CZ-CG 3.72Å; M96-Y100 HydrophobicContact CE-CE2 4.13Å; M96-Y100 HydrophobicContact CG-CD2 4.04Å; M96-Y100 HydrophobicContact CG-CE2 3.87Å; M96-Y100 VanDerWaalsContact O-CD2 3.27Å; M96-Y100 WeakPolarHBondContact O-CD2 3.4Å; M96-Y100 PolarHBondContact O-N 2.83Å; L97-Y100 PolarHBondContact O-N 3.04Å; D98-Y100 VanDerWaalsContact C-N 3.33Å; D98-Y100 PolarHBondContact O-N 2.77Å; Y100-A102 VanDerWaalsContact C-N 3.28Å; Y100-A102 PolarHBondContact O-N 2.82Å; Y100-S103 WeakPolarHBondContact O-CB 3.26Å; Y100-S103 PolarHBondContact O-N 2.82Å; Y100-S103 PolarHBondContact O-OG 2.83Å
101	R	96.3	Very high	94.3	Very high	114 Å²	114	69.9 Å²	69.9	43%	0.43	35%	0.346	S	S	.	.	H	α-helix	trans	-59.6	-39.4	172.1	-72.9	168.2	174.8	165.4	-6.1	112.4	F69 G74 L97 D98 S103	F69-R101 HydrophobicContact CE2-CG 4.24Å; F69-R101 HydrophobicContact CZ-CG 4.03Å; G74-R101 PolarHBondContact O-NE 3.15Å; G74-R101 PolarHBondContact O-NH2 2.75Å; L97-R101 WeakPolarHBondContact O-CG 3.45Å; L97-R101 PolarHBondContact O-N 2.86Å; D98-R101 PolarHBondContact O-N 2.83Å; D98-R101 IonicContact OD1-NH1 3.82Å; D98-R101 PolarHBondContact OD1-NH1 2.83Å; R101-S103 PolarHBondContact O-N 2.8Å; R101-S103 VanDerWaalsContact O-N 3.09Å
102	A	95.9	Very high	93.7	Very high	39 Å²	39	71 Å²	71	32%	0.322	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-6	174.8	0	0	0	0	0	114.2	D98 Y100 V104 D105 R106	D98-A102 PolarHBondContact O-N 2.86Å; Y100-A102 VanDerWaalsContact C-N 3.28Å; Y100-A102 PolarHBondContact O-N 2.82Å; A102-V104 VanDerWaalsContact C-N 3.29Å; A102-V104 PolarHBondContact O-N 2.83Å; A102-D105 PolarHBondContact O-N 3.02Å; A102-R106 PolarHBondContact O-N 2.86Å; A102-R106 VanDerWaalsContact O-N 3.16Å
103	S	94.5	Very high	93.1	Very high	10 Å²	10	72.3 Å²	72.3	7%	0.07	36%	0.355	C	S	.	.	H	α-helix	trans	-64.8	-30.6	178.5	64.9	0	0	0	0	113.4	S55 Y100 R101 D105 R106 C107	S55-S103 WeakPolarHBondContact CB-OG 3.39Å; S55-S103 PolarHBondContact OG-OG 3.12Å; Y100-S103 WeakPolarHBondContact O-CB 3.26Å; Y100-S103 PolarHBondContact O-N 2.82Å; Y100-S103 PolarHBondContact O-OG 2.83Å; R101-S103 PolarHBondContact O-N 2.8Å; R101-S103 VanDerWaalsContact O-N 3.09Å; S103-D105 VanDerWaalsContact C-N 3.35Å; S103-D105 PolarHBondContact O-N 3.38Å; S103-R106 PolarHBondContact O-N 2.94Å; S103-C107 PolarHBondContact O-N 3Å; S103-C107 PolarHBondContact O-SG 2.67Å
104	V	93.2	Very high	92.4	Very high	19 Å²	19	71.9 Å²	71.9	12%	0.115	36%	0.357	C	S	.	.	H	α-helix	trans	-62.3	-45	176.6	179.1	0	0	0	0	110.6	V53 S55 S71 A102 R106 C107 R108	V53-V104 HydrophobicContact CB-CG1 4.42Å; S55-V104 WeakPolarHBondContact OG-CG2 3.26Å; S71-V104 WeakPolarHBondContact OG-CG2 3.45Å; A102-V104 VanDerWaalsContact C-N 3.29Å; A102-V104 PolarHBondContact O-N 2.83Å; V104-R106 VanDerWaalsContact C-N 3.33Å; V104-R106 PolarHBondContact O-N 2.03Å; V104-C107 WeakPolarHBondContact O-CB 3.36Å; V104-C107 PolarHBondContact O-N 2.95Å; V104-R108 WeakPolarHBondContact O-CG 3.49Å; V104-R108 PolarHBondContact O-N 2.9Å
105	D	92.6	Very high	92	Very high	82 Å²	82	67.7 Å²	67.7	44%	0.439	34%	0.342	S	S	.	.	H	α-helix	trans	-68.6	-35.4	178.6	-64.3	-32.5	0	0	0	111.3	A102 S103 R108 N109	A102-D105 PolarHBondContact O-N 3.02Å; S103-D105 VanDerWaalsContact C-N 3.35Å; S103-D105 PolarHBondContact O-N 3.38Å; D105-R108 PolarHBondContact O-N 3.09Å; D105-R108 IonicContact OD1-NH1 3.72Å; D105-R108 PolarHBondContact OD1-NH1 2.8Å; D105-N109 WeakPolarHBondContact O-CB 3.41Å; D105-N109 PolarHBondContact O-N 2.81Å; D105-N109 PolarHBondContact O-ND2 3.15Å
106	R	92.1	Very high	91.4	Very high	103 Å²	103	66 Å²	66	39%	0.389	33%	0.331	S	S	.	.	H	α-helix	trans	-61	-44.3	169.6	-70	-169.4	-67.4	-105.6	0	112.2	N99 A102 S103 V104 N109 N110	N99-R106 PolarHBondContact O-NH1 3.38Å; N99-R106 PolarHBondContact O-NH2 2.81Å; N99-R106 PolarHBondContact OD1-NH1 2.91Å; A102-R106 PolarHBondContact O-N 2.86Å; A102-R106 VanDerWaalsContact O-N 3.16Å; S103-R106 PolarHBondContact O-N 2.94Å; V104-R106 VanDerWaalsContact C-N 3.33Å; V104-R106 PolarHBondContact O-N 2.03Å; R106-N109 PolarHBondContact O-N 2.87Å; R106-N110 WeakPolarHBondContact O-CB 3.44Å; R106-N110 VanDerWaalsContact O-CG 3.23Å; R106-N110 PolarHBondContact O-N 2.82Å; R106-N110 PolarHBondContact O-ND2 3.39Å
107	C	92.9	Very high	91	Very high	4 Å²	4	69 Å²	69	3%	0.027	34%	0.343	C	S	.	.	H	α-helix	trans	-59.2	-48.6	174.7	-65.8	0	0	0	0	110.7	C44 Y46 V53 S103 V104 N109 N110 Y111	C44-C107 HydrophobicContact CB-CB 3.63Å; C44-C107 WeakPolarHBondContact CB-SG 3.4Å; C44-C107 WeakPolarHBondContact SG-CB 3.38Å; C44-C107 CovalentContact SG-SG 2.03Å; C44-C107 PolarHBondContact SG-SG 3.07Å; Y46-C107 HydrophobicContact CE1-CB 4.11Å; Y46-C107 WeakPolarHBondContact CE1-O 3.26Å; Y46-C107 PolarHBondContact OH-O 2.83Å; V53-C107 HydrophobicContact CG1-CB 3.66Å; S103-C107 PolarHBondContact O-N 3Å; S103-C107 PolarHBondContact O-SG 2.67Å; V104-C107 WeakPolarHBondContact O-CB 3.36Å; V104-C107 PolarHBondContact O-N 2.95Å; C107-N109 PolarHBondContact O-N 2.74Å; C107-N110 PolarHBondContact O-N 2.94Å; C107-N110 VanDerWaalsContact O-N 3.16Å; C107-Y111 PolarHBondContact O-N 3.06Å
108	R	91.6	Very high	90.5	Very high	85 Å²	85	71.5 Å²	71.5	32%	0.321	36%	0.355	S	S	.	.	H	α-helix	trans	-58	-45.5	177.2	-73.2	176.3	175.7	147.8	-4.3	112.7	V53 V104 D105 N110 Y111	V53-R108 HydrophobicContact CB-CG 4.16Å; V53-R108 HydrophobicContact CG2-CG 3.92Å; V104-R108 WeakPolarHBondContact O-CG 3.49Å; V104-R108 PolarHBondContact O-N 2.9Å; D105-R108 PolarHBondContact O-N 3.09Å; D105-R108 IonicContact OD1-NH1 3.72Å; D105-R108 PolarHBondContact OD1-NH1 2.8Å; R108-N110 PolarHBondContact O-N 2.93Å; R108-Y111 VanDerWaalsContact O-CB 3.28Å; R108-Y111 WeakPolarHBondContact O-CB 3.38Å; R108-Y111 PolarHBondContact O-N 3.39Å; R108-Y111 VanDerWaalsContact O-N 3.11Å
109	N	89.3	Confident	89.8	Confident	111 Å²	111	71.3 Å²	71.3	59%	0.594	36%	0.359	S	S	*	.	H	α-helix	trans	-66.2	-29.7	179.9	-68.8	-15.5	0	0	0	112.2	D105 R106 C107	D105-N109 WeakPolarHBondContact O-CB 3.41Å; D105-N109 PolarHBondContact O-N 2.81Å; D105-N109 PolarHBondContact O-ND2 3.15Å; R106-N109 PolarHBondContact O-N 2.87Å; C107-N109 PolarHBondContact O-N 2.74Å
110	N	87.9	Confident	89.4	Confident	88 Å²	88	73.3 Å²	73.3	47%	0.471	37%	0.369	S	S	.	.	H	α-helix	trans	-81.6	-17.2	175	-69.4	-18.3	0	0	0	113.1	R106 C107 R108 D112 L113 V114	R106-N110 WeakPolarHBondContact O-CB 3.44Å; R106-N110 VanDerWaalsContact O-CG 3.23Å; R106-N110 PolarHBondContact O-N 2.82Å; R106-N110 PolarHBondContact O-ND2 3.39Å; C107-N110 PolarHBondContact O-N 2.94Å; C107-N110 VanDerWaalsContact O-N 3.16Å; R108-N110 PolarHBondContact O-N 2.93Å; N110-D112 VanDerWaalsContact C-N 3.34Å; N110-D112 PolarHBondContact O-N 3.27Å; N110-L113 PolarHBondContact O-N 3.2Å; N110-V114 WeakPolarHBondContact O-CG2 3.31Å; N110-V114 PolarHBondContact O-N 2.93Å; N110-V114 VanDerWaalsContact O-N 3.16Å
111	Y	89.3	Confident	89.2	Confident	39 Å²	39	74.6 Å²	74.6	15%	0.153	38%	0.378	C	S	.	.	H	α-helix	trans	-58.2	-44.6	-175.6	-177.5	-95.1	0	0	0	112.1	Y46 R50 C107 R108 L113 V114 D115	Y46-Y111 AromaticContact CD1-CD2 3.23Å; Y46-Y111 HydrophobicContact CD1-CD2 3.23Å; Y46-Y111 AromaticContact CD1-CE2 3.92Å; Y46-Y111 HydrophobicContact CD1-CE2 3.92Å; Y46-Y111 HydrophobicContact CD1-CG 4.1Å; Y46-Y111 HydrophobicContact CD2-CD2 4.14Å; Y46-Y111 HydrophobicContact CD2-CE2 4.47Å; Y46-Y111 AromaticContact CE1-CD2 3.59Å; Y46-Y111 HydrophobicContact CE1-CD2 3.59Å; Y46-Y111 HydrophobicContact CE1-CG 4.17Å; Y46-Y111 HydrophobicContact CE2-CD2 4.42Å; Y46-Y111 AromaticContact CG-CD2 3.55Å; Y46-Y111 HydrophobicContact CG-CD2 3.55Å; Y46-Y111 AromaticContact CG-CE2 3.83Å; Y46-Y111 HydrophobicContact CG-CE2 3.83Å; R50-Y111 HydrophobicContact CB-CD1 3.63Å; R50-Y111 HydrophobicContact CB-CE1 4.24Å; R50-Y111 HydrophobicContact CB-CG 3.9Å; R50-Y111 HydrophobicContact CG-CD1 4.49Å; C107-Y111 PolarHBondContact O-N 3.06Å; R108-Y111 VanDerWaalsContact O-CB 3.28Å; R108-Y111 WeakPolarHBondContact O-CB 3.38Å; R108-Y111 PolarHBondContact O-N 3.39Å; R108-Y111 VanDerWaalsContact O-N 3.11Å; Y111-L113 VanDerWaalsContact C-N 3.26Å; Y111-L113 PolarHBondContact O-N 2.89Å; Y111-V114 CarbonylContact O-C 3.59Å; Y111-V114 PolarHBondContact O-N 2.94Å; Y111-D115 HydrophobicContact CD1-CB 4.04Å; Y111-D115 HydrophobicContact CE1-CB 3.59Å; Y111-D115 VanDerWaalsContact O-CB 3.31Å; Y111-D115 WeakPolarHBondContact O-CB 3.41Å; Y111-D115 PolarHBondContact O-N 3.04Å; Y111-D115 PolarHBondContact OH-OD1 2.98Å
112	D	84.4	Confident	89.1	Confident	72 Å²	72	74.5 Å²	74.5	39%	0.385	38%	0.381	S	S	.	.	H	α-helix	trans	-60.3	-37.7	-175.7	-61.7	-24.2	0	0	0	111.6	R50 N110 I116	R50-D112 IonicContact CZ-OD1 2.75Å; R50-D112 IonicContact CZ-OD2 2.9Å; R50-D112 IonicContact NH1-OD1 3.98Å; R50-D112 PolarHBondContact NH1-OD1 3.4Å; R50-D112 IonicContact NH1-OD2 2.66Å; R50-D112 PolarHBondContact NH1-OD2 3.03Å; N110-D112 VanDerWaalsContact C-N 3.34Å; N110-D112 PolarHBondContact O-N 3.27Å; D112-I116 WeakPolarHBondContact O-CB 3.47Å; D112-I116 WeakPolarHBondContact O-CD1 3.46Å; D112-I116 WeakPolarHBondContact O-CG1 3.29Å; D112-I116 PolarHBondContact O-N 3.49Å; D112-I116 VanDerWaalsContact O-N 3.1Å
113	L	85.2	Confident	89.2	Confident	128 Å²	128	74 Å²	74	67%	0.67	38%	0.376	S	S	*	.	H	α-helix	trans	-68.4	-42.9	174.4	-70.5	173.2	0	0	0	112	N110 Y111 F117	N110-L113 PolarHBondContact O-N 3.2Å; Y111-L113 VanDerWaalsContact C-N 3.26Å; Y111-L113 PolarHBondContact O-N 2.89Å; L113-F117 WeakPolarHBondContact O-CB 3.41Å; L113-F117 PolarHBondContact O-N 2.96Å; L113-F117 VanDerWaalsContact O-N 3.08Å
114	V	83.6	Confident	89.3	Confident	63 Å²	63	80.6 Å²	80.6	38%	0.382	40%	0.404	S	S	.	.	H	α-helix	trans	-63.9	-45.4	177.2	174.3	0	0	0	0	110.4	N110 Y111 F117 M118	N110-V114 WeakPolarHBondContact O-CG2 3.31Å; N110-V114 PolarHBondContact O-N 2.93Å; N110-V114 VanDerWaalsContact O-N 3.16Å; Y111-V114 CarbonylContact O-C 3.59Å; Y111-V114 PolarHBondContact O-N 2.94Å; V114-F117 PolarHBondContact O-N 3.27Å; V114-M118 HydrophobicContact CG1-CG 3.78Å; V114-M118 WeakPolarHBondContact O-CB 3.38Å; V114-M118 WeakPolarHBondContact O-CG 2.92Å; V114-M118 PolarHBondContact O-N 2.84Å
115	D	86.1	Confident	89.6	Confident	62 Å²	62	80.3 Å²	80.3	33%	0.332	40%	0.403	S	S	.	.	H	α-helix	trans	-62.7	-47	-178.4	-171	80.2	0	0	0	111.4	Y111 F117 S119	Y111-D115 HydrophobicContact CD1-CB 4.04Å; Y111-D115 HydrophobicContact CE1-CB 3.59Å; Y111-D115 VanDerWaalsContact O-CB 3.31Å; Y111-D115 WeakPolarHBondContact O-CB 3.41Å; Y111-D115 PolarHBondContact O-N 3.04Å; Y111-D115 PolarHBondContact OH-OD1 2.98Å; D115-F117 PolarHBondContact O-N 2.92Å; D115-S119 WeakPolarHBondContact O-CB 3.39Å; D115-S119 PolarHBondContact O-N 3.28Å; D115-S119 PolarHBondContact O-OG 2.85Å
116	I	85.4	Confident	89.8	Confident	105 Å²	105	82.6 Å²	82.6	54%	0.538	41%	0.408	S	S	.	.	H	α-helix	trans	-60	-47.6	175.2	-69.5	166.9	0	0	0	110.5	D112 N120	D112-I116 WeakPolarHBondContact O-CB 3.47Å; D112-I116 WeakPolarHBondContact O-CD1 3.46Å; D112-I116 WeakPolarHBondContact O-CG1 3.29Å; D112-I116 PolarHBondContact O-N 3.49Å; D112-I116 VanDerWaalsContact O-N 3.1Å; I116-N120 WeakPolarHBondContact O-CB 3.46Å; I116-N120 PolarHBondContact O-N 2.62Å; I116-N120 PolarHBondContact O-ND2 3.03Å
117	F	85	Confident	90.1	Very high	136 Å²	136	78.6 Å²	78.6	60%	0.596	40%	0.396	S	S	*	.	H	α-helix	trans	-65.6	-50.7	-177.8	-177.3	-97.9	0	0	0	111.7	L113 V114 D115 N120 L121	L113-F117 WeakPolarHBondContact O-CB 3.41Å; L113-F117 PolarHBondContact O-N 2.96Å; L113-F117 VanDerWaalsContact O-N 3.08Å; V114-F117 PolarHBondContact O-N 3.27Å; D115-F117 PolarHBondContact O-N 2.92Å; F117-N120 PolarHBondContact O-N 2.87Å; F117-L121 HydrophobicContact CE1-CD2 4.41Å; F117-L121 PolarHBondContact O-N 2.97Å
118	M	85.8	Confident	90.3	Very high	66 Å²	66	81.1 Å²	81.1	33%	0.325	41%	0.411	S	S	.	.	H	α-helix	trans	-73	-34.9	-173.5	-62	-66.2	-76.9	0	0	112.3	V114 N120 L121 Y151 W181	V114-M118 HydrophobicContact CG1-CG 3.78Å; V114-M118 WeakPolarHBondContact O-CB 3.38Å; V114-M118 WeakPolarHBondContact O-CG 2.92Å; V114-M118 PolarHBondContact O-N 2.84Å; M118-N120 VanDerWaalsContact C-N 3.31Å; M118-N120 PolarHBondContact O-N 3.4Å; M118-L121 PolarHBondContact O-N 3.13Å; M118-Y151 WeakPolarHBondContact CE-OH 3.34Å; M118-W181 HydrophobicContact CE-CZ3 4.08Å; M118-W181 HydrophobicContact SD-CZ3 4.07Å
119	S	83.6	Confident	90.5	Very high	59 Å²	59	78.2 Å²	78.2	41%	0.413	40%	0.402	S	S	.	.	H	α-helix	trans	-69.2	-30	176.6	-64.8	0	0	0	0	112.8	D115 K122	D115-S119 WeakPolarHBondContact O-CB 3.39Å; D115-S119 PolarHBondContact O-N 3.28Å; D115-S119 PolarHBondContact O-OG 2.85Å; S119-K122 WeakPolarHBondContact O-CE 3.47Å
120	N	86.8	Confident	90.6	Very high	124 Å²	124	77.6 Å²	77.6	66%	0.663	39%	0.393	S	S	*	.	H	α-helix	trans	-85.8	-21	176.8	-72.2	-49.2	0	0	0	112.9	I116 F117 M118 K122	I116-N120 WeakPolarHBondContact O-CB 3.46Å; I116-N120 PolarHBondContact O-N 2.62Å; I116-N120 PolarHBondContact O-ND2 3.03Å; F117-N120 PolarHBondContact O-N 2.87Å; M118-N120 VanDerWaalsContact C-N 3.31Å; M118-N120 PolarHBondContact O-N 3.4Å; N120-K122 PolarHBondContact O-N 3.46Å
121	L	91.3	Very high	90.7	Very high	58 Å²	58	76.5 Å²	76.5	30%	0.304	39%	0.39	S	S	.	.			trans	-72.8	97.7	173.3	-169.8	65.2	0	0	0	108.9	F117 M118 Y151 W181	F117-L121 HydrophobicContact CE1-CD2 4.41Å; F117-L121 PolarHBondContact O-N 2.97Å; M118-L121 PolarHBondContact O-N 3.13Å; L121-Y151 HydrophobicContact CB-CD1 4.37Å; L121-Y151 HydrophobicContact CB-CE1 4.17Å; L121-Y151 HydrophobicContact CD2-CD1 4.14Å; L121-Y151 HydrophobicContact CD2-CE1 3.82Å; L121-Y151 HydrophobicContact CG-CD1 3.92Å; L121-Y151 HydrophobicContact CG-CE1 3.96Å; L121-Y151 WeakPolarHBondContact O-CD1 3.17Å; L121-Y151 WeakPolarHBondContact O-CE1 3.46Å; L121-W181 HydrophobicContact CD2-CD2 4.39Å; L121-W181 HydrophobicContact CD2-CE3 3.73Å; L121-W181 HydrophobicContact CD2-CZ3 4.22Å
122	K	95.1	Very high	90.4	Very high	112 Å²	112	76.8 Å²	76.8	49%	0.487	40%	0.398	S	S	.	.			trans	-135.8	127.1	177.3	-64.9	-174.5	-179.2	-173.8	0	110.1	S119 N120 Y151 P206	S119-K122 WeakPolarHBondContact O-CE 3.47Å; N120-K122 PolarHBondContact O-N 3.46Å; K122-Y151 WeakPolarHBondContact CA-O 3.46Å; K122-P206 PolarHBondContact NZ-O 2.98Å
123	A	96.8	Very high	89.5	Confident	28 Å²	28	82.9 Å²	82.9	23%	0.231	42%	0.421	C	S	.	.	B	Isolated β-bridge	trans	-116.1	131.8	174.6	0	0	0	0	0	109.7	D149 F150 Y151 H205 S207	A123-D149 WeakPolarHBondContact CB-O 3.38Å; A123-F150 WeakPolarHBondContact O-CA 3.43Å; A123-Y151 PolarHBondContact N-O 3.33Å; A123-Y151 PolarHBondContact O-N 2.74Å; A123-H205 PolarHBondContact O-CE1 2.92Å; A123-S207 PolarHBondContact O-OG 2.98Å
124	K	97.9	Very high	88	Confident	148 Å²	148	79.1 Å²	79.1	64%	0.643	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-78.8	134	-177.6	-68.8	-178.9	179.2	179.2	0	110.8	S207 L208	K124-S207 VanDerWaalsContact CA-OG 3.29Å; K124-S207 WeakPolarHBondContact CA-OG 3.05Å; K124-S207 WeakPolarHBondContact CE-O 3.21Å; K124-S207 WeakPolarHBondContact CG-OG 3.06Å; K124-L208 HydrophobicContact CB-CD2 4.28Å; K124-L208 HydrophobicContact CD-CD2 4.21Å; K124-L208 HydrophobicContact CG-CD2 4.07Å
125	P	98.3	Very high	86.4	Confident	14 Å²	14	83.3 Å²	83.3	9%	0.091	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-64.9	140.2	178.1	24.6	-32.6	0	0	0	111.9	V127 V147 S148 F150 I155 V203 H205 L208	P125-V127 HydrophobicContact CB-CG2 4.34Å; P125-V147 HydrophobicContact CB-CG1 3.53Å; P125-S148 CarbonylContact C-O 3.52Å; P125-S148 WeakPolarHBondContact CA-O 3.42Å; P125-F150 HydrophobicContact CB-CB 3.78Å; P125-F150 HydrophobicContact CB-CD1 4.21Å; P125-F150 HydrophobicContact CB-CG 4.27Å; P125-F150 HydrophobicContact CG-CB 4.43Å; P125-I155 HydrophobicContact CB-CD1 4.44Å; P125-V203 HydrophobicContact CB-CG1 4.42Å; P125-V203 HydrophobicContact CG-CG1 3.98Å; P125-H205 HydrophobicContact CG-CB 4.17Å; P125-L208 HydrophobicContact CG-CD1 3.87Å; P125-L208 HydrophobicContact CG-CG 4.38Å
126	K	98.1	Very high	84.6	Confident	129 Å²	129	86.9 Å²	86.9	56%	0.561	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	121.6	162.5	-176.3	-180	178.3	-175.6	0	108.4	V147 S148	K126-V147 WeakPolarHBondContact O-CA 3.46Å; K126-S148 PolarHBondContact N-O 3.19Å; K126-S148 PolarHBondContact O-N 3.1Å
127	V	98.4	Very high	82.8	Confident	20 Å²	20	89.1 Å²	89.1	12%	0.121	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.6	-175	-172.8	0	0	0	0	109.3	P125 V147 V203 V212 V214	P125-V127 HydrophobicContact CB-CG2 4.34Å; V127-V147 HydrophobicContact CG1-CG2 4.41Å; V127-V147 HydrophobicContact CG2-CG1 4.36Å; V127-V203 HydrophobicContact CB-CG2 4.48Å; V127-V203 HydrophobicContact CG1-CG2 3.91Å; V127-V203 HydrophobicContact CG2-CB 4.06Å; V127-V203 HydrophobicContact CG2-CG1 4.38Å; V127-V203 HydrophobicContact CG2-CG2 3.67Å; V127-V212 HydrophobicContact CB-CG1 4.29Å; V127-V212 HydrophobicContact CG2-CG1 3.95Å; V127-V214 HydrophobicContact CB-CG2 3.8Å; V127-V214 HydrophobicContact CG1-CB 4.16Å; V127-V214 HydrophobicContact CG1-CG2 3.61Å
128	T	97.1	Very high	81	Confident	57 Å²	57	88.8 Å²	88.8	35%	0.35	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	138	176.5	54.5	0	0	0	0	110.1	C145 S146	T128-C145 CarbonylContact O-C 3.57Å; T128-C145 WeakPolarHBondContact O-CA 3.44Å; T128-S146 PolarHBondContact N-O 3.29Å; T128-S146 PolarHBondContact O-N 2.95Å; T128-S146 WeakPolarHBondContact OG1-CB 3.16Å; T128-S146 PolarHBondContact OG1-O 3.01Å
129	V	95.8	Very high	79.2	Confident	23 Å²	23	95.6 Å²	95.6	14%	0.139	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.6	178.7	177.5	0	0	0	0	109.8	L143 V144 C145 W159 C201 V214 W216	V129-L143 HydrophobicContact CG1-CD1 3.88Å; V129-L143 HydrophobicContact CG1-CD2 4.07Å; V129-L143 HydrophobicContact CG1-CG 3.89Å; V129-V144 VanDerWaalsContact CA-O 3.29Å; V129-V144 WeakPolarHBondContact CA-O 3.43Å; V129-C145 HydrophobicContact CG2-CB 4.3Å; V129-W159 HydrophobicContact CG1-CH2 3.68Å; V129-W159 HydrophobicContact CG1-CZ3 4.28Å; V129-W159 HydrophobicContact CG2-CH2 4.16Å; V129-C201 HydrophobicContact CG2-CB 3.66Å; V129-V214 HydrophobicContact CB-CG1 4.08Å; V129-V214 HydrophobicContact CG2-CB 3.97Å; V129-V214 HydrophobicContact CG2-CG1 3.7Å; V129-W216 HydrophobicContact CB-CB 4.25Å; V129-W216 HydrophobicContact CG1-CB 3.49Å; V129-W216 VanDerWaalsContact CG1-CB 3.49Å; V129-W216 HydrophobicContact CG1-CG 3.95Å
130	Y	91.2	Very high	77.8	Confident	99 Å²	99	97 Å²	97	39%	0.388	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	151.6	178.7	59.3	-89.4	0	0	0	111.9	V144	Y130-V144 HydrophobicContact CD2-CB 4.28Å; Y130-V144 HydrophobicContact CE1-CB 4.35Å; Y130-V144 HydrophobicContact CE1-CG1 4.29Å; Y130-V144 HydrophobicContact CE2-CB 3.88Å; Y130-V144 HydrophobicContact CE2-CG1 4.25Å; Y130-V144 HydrophobicContact CE2-CG2 4.12Å; Y130-V144 PolarHBondContact N-O 2.88Å; Y130-V144 PolarHBondContact O-N 3.31Å
131	P	89.5	Confident	77.2	Confident	65 Å²	65	95 Å²	95	42%	0.422	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	134.4	171.7	31.1	-33	0	0	0	110	L142 L143 W216	P131-L142 CarbonylContact C-O 3.57Å; P131-L142 WeakPolarHBondContact CA-O 3.4Å; P131-L143 HydrophobicContact CB-CD1 4.48Å; P131-W216 HydrophobicContact CB-CZ2 4.36Å; P131-W216 HydrophobicContact CG-CZ2 4.18Å
132	S	82.9	Confident	77	Confident	44 Å²	44	94.4 Å²	94.4	31%	0.308	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	124.5	167.4	-167.9	0	0	0	0	108.8	T134 L142	S132-T134 PolarHBondContact O-N 2.93Å; S132-L142 PolarHBondContact N-O 3.34Å
133	K	65.4	Low	76.9	Confident	201 Å²	201	89.2 Å²	89.2	87%	0.874	45%	0.445	S	S	*	.			trans	-85.6	93.3	172	-70.8	-174.6	-178.7	-179.7	0	108.7
134	T	53.5	Low	76.8	Confident	49 Å²	49	88.2 Å²	88.2	30%	0.301	44%	0.436	S	S	.	.			trans	-84.1	149.8	156.7	42.5	0	0	0	0	108.2	S132 E138 H140	S132-T134 PolarHBondContact O-N 2.93Å; T134-E138 WeakPolarHBondContact CB-OE2 3.41Å; T134-E138 WeakPolarHBondContact CG2-OE2 3.37Å; T134-H140 PolarHBondContact OG1-O 3.48Å
135	Q	49.9	Very low	76.8	Confident	150 Å²	150	81.2 Å²	81.2	70%	0.701	41%	0.405	S	S	*	.			trans	-56.3	161.6	-177.2	-73	175.7	16.3	0	0	111.1	L137 E138	Q135-L137 PolarHBondContact O-N 3.48Å; Q135-E138 PolarHBondContact O-N 2.81Å; Q135-E138 VanDerWaalsContact O-N 3.12Å
136	P	48.7	Very low	76.8	Confident	138 Å²	138	81.6 Å²	81.6	90%	0.896	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-4.8	-175.4	-25.5	34.9	0	0	0	116.7
137	L	47.7	Very low	76.8	Confident	151 Å²	151	75.4 Å²	75.4	79%	0.791	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	2.9	-173	-77.6	154.8	0	0	0	114	Q135	Q135-L137 PolarHBondContact O-N 3.48Å
138	E	46.5	Very low	76.8	Confident	129 Å²	129	75.3 Å²	75.3	60%	0.603	38%	0.382	S	S	*	.	S	Bend	trans	-106.5	127.5	177.4	-88	178.5	164.4	0	0	111.9	T134 Q135 H140	T134-E138 WeakPolarHBondContact CB-OE2 3.41Å; T134-E138 WeakPolarHBondContact CG2-OE2 3.37Å; Q135-E138 PolarHBondContact O-N 2.81Å; Q135-E138 VanDerWaalsContact O-N 3.12Å; E138-H140 PolarHBondContact O-N 2.83Å
139	Y	49.3	Very low	76.8	Confident	210 Å²	210	76 Å²	76	82%	0.824	38%	0.383	S	S	*	.	S	Bend	trans	-69.5	7.7	-159	-82.8	-93.7	0	0	0	116.8
140	H	54.1	Low	76.9	Confident	88 Å²	88	74.9 Å²	74.9	41%	0.407	38%	0.376	S	S	.	.			trans	-134.4	101.7	-171.2	-52.9	-61.8	0	0	0	111.3	T134 E138 L142 E190	T134-H140 PolarHBondContact OG1-O 3.48Å; E138-H140 PolarHBondContact O-N 2.83Å; H140-L142 HydrophobicContact CB-CG 4.21Å; H140-L142 PolarHBondContact O-N 2.79Å; H140-L142 VanDerWaalsContact O-N 3.16Å; H140-E190 HydrophobicContact CB-CG 4.16Å; H140-E190 IonicContact CE1-OE1 3.41Å; H140-E190 PolarHBondContact CE1-OE1 3.39Å; H140-E190 IonicContact CG-OE1 2.73Å; H140-E190 IonicContact ND1-OE1 2.92Å; H140-E190 PolarHBondContact ND1-OE1 2.98Å; H140-E190 IonicContact ND1-OE2 3.34Å
141	N	74.5	Confident	77.2	Confident	83 Å²	83	71.4 Å²	71.4	44%	0.444	36%	0.363	S	S	.	.			trans	-68.1	107.7	161.7	-75.9	-44.5	0	0	0	106.8	T191	N141-T191 CarbonylContact C-O 3.5Å; N141-T191 WeakPolarHBondContact CB-O 3.46Å; N141-T191 CarbonylContact O-C 3.52Å; N141-T191 PolarHBondContact O-N 3.48Å
142	L	87.2	Confident	77.5	Confident	45 Å²	45	70 Å²	70	24%	0.236	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.3	-178.6	-74.2	162.2	0	0	0	109.4	P131 S132 H140 M188 L189 E190	P131-L142 CarbonylContact C-O 3.57Å; P131-L142 WeakPolarHBondContact CA-O 3.4Å; S132-L142 PolarHBondContact N-O 3.34Å; H140-L142 HydrophobicContact CB-CG 4.21Å; H140-L142 PolarHBondContact O-N 2.79Å; H140-L142 VanDerWaalsContact O-N 3.16Å; L142-M188 HydrophobicContact CD2-CB 4.32Å; L142-L189 WeakPolarHBondContact CA-O 3.49Å; L142-E190 HydrophobicContact CD2-CB 4.07Å; L142-E190 HydrophobicContact CD2-CG 4.48Å
143	L	92.3	Very high	78.1	Confident	3 Å²	3	68.9 Å²	68.9	2%	0.016	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	124.4	167.1	-166.9	68	0	0	0	108.7	V129 P131 W159 M188 L189 Y199 W216	V129-L143 HydrophobicContact CG1-CD1 3.88Å; V129-L143 HydrophobicContact CG1-CD2 4.07Å; V129-L143 HydrophobicContact CG1-CG 3.89Å; P131-L143 HydrophobicContact CB-CD1 4.48Å; L143-W159 HydrophobicContact CB-CH2 4.31Å; L143-W159 HydrophobicContact CB-CZ2 4.5Å; L143-W159 HydrophobicContact CD2-CE3 4.42Å; L143-W159 HydrophobicContact CD2-CH2 3.42Å; L143-W159 VanDerWaalsContact CD2-CH2 3.42Å; L143-W159 HydrophobicContact CD2-CZ2 4.32Å; L143-W159 HydrophobicContact CD2-CZ3 3.48Å; L143-W159 VanDerWaalsContact CD2-CZ3 3.48Å; L143-W159 HydrophobicContact CG-CH2 3.59Å; L143-W159 HydrophobicContact CG-CZ2 4.2Å; L143-W159 HydrophobicContact CG-CZ3 4.19Å; L143-M188 CarbonylContact O-C 3.58Å; L143-M188 WeakPolarHBondContact O-CA 3.48Å; L143-L189 HydrophobicContact CB-CB 4.48Å; L143-L189 PolarHBondContact N-O 2.8Å; L143-L189 PolarHBondContact O-N 2.91Å; L143-Y199 VanDerWaalsContact CD2-CB 3.46Å; L143-Y199 HydrophobicContact CD2-CD1 4.22Å; L143-Y199 HydrophobicContact CD2-CD2 4.44Å; L143-Y199 HydrophobicContact CD2-CG 3.8Å; L143-W216 HydrophobicContact CD1-CD2 3.55Å; L143-W216 HydrophobicContact CD1-CE3 3.77Å; L143-W216 HydrophobicContact CD1-CG 3.88Å; L143-W216 HydrophobicContact CD1-CH2 4.46Å; L143-W216 HydrophobicContact CD1-CZ2 4.28Å; L143-W216 HydrophobicContact CD1-CZ3 4.22Å; L143-W216 HydrophobicContact CD2-CB 4.45Å; L143-W216 HydrophobicContact CD2-CD2 4.3Å; L143-W216 HydrophobicContact CD2-CE3 3.92Å
144	V	95.2	Very high	79.6	Confident	7 Å²	7	64.6 Å²	64.6	4%	0.042	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.4	-174	-172.9	0	0	0	0	109.2	V129 Y130 L186 M188	V129-V144 VanDerWaalsContact CA-O 3.29Å; V129-V144 WeakPolarHBondContact CA-O 3.43Å; Y130-V144 HydrophobicContact CD2-CB 4.28Å; Y130-V144 HydrophobicContact CE1-CB 4.35Å; Y130-V144 HydrophobicContact CE1-CG1 4.29Å; Y130-V144 HydrophobicContact CE2-CB 3.88Å; Y130-V144 HydrophobicContact CE2-CG1 4.25Å; Y130-V144 HydrophobicContact CE2-CG2 4.12Å; Y130-V144 PolarHBondContact N-O 2.88Å; Y130-V144 PolarHBondContact O-N 3.31Å; V144-L186 HydrophobicContact CG1-CB 4.42Å; V144-L186 HydrophobicContact CG1-CD2 4.19Å; V144-M188 HydrophobicContact CG1-CG 4.27Å; V144-M188 HydrophobicContact CG2-CG 4.21Å
145	C	97.6	Very high	81.7	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	104.2	164.1	-174.5	0	0	0	0	108.2	T128 V129 W159 V187 C201	T128-C145 CarbonylContact O-C 3.57Å; T128-C145 WeakPolarHBondContact O-CA 3.44Å; V129-C145 HydrophobicContact CG2-CB 4.3Å; C145-W159 HydrophobicContact CB-CH2 3.99Å; C145-W159 HydrophobicContact CB-CZ2 3.45Å; C145-W159 VanDerWaalsContact CB-CZ2 3.45Å; C145-V187 WeakPolarHBondContact CB-O 3.03Å; C145-V187 PolarHBondContact N-O 2.74Å; C145-V187 PolarHBondContact O-N 2.87Å; C145-C201 HydrophobicContact CB-CB 3.66Å; C145-C201 WeakPolarHBondContact CB-SG 3.47Å; C145-C201 WeakPolarHBondContact SG-CB 3.41Å; C145-C201 CovalentContact SG-SG 2.03Å; C145-C201 PolarHBondContact SG-SG 3.47Å
146	S	97.8	Very high	84	Confident	22 Å²	22	61.6 Å²	61.6	15%	0.154	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	120.4	175.9	176.1	0	0	0	0	109.5	T128 L186	T128-S146 PolarHBondContact N-O 3.29Å; T128-S146 PolarHBondContact O-N 2.95Å; T128-S146 WeakPolarHBondContact OG1-CB 3.16Å; T128-S146 PolarHBondContact OG1-O 3.01Å; S146-L186 WeakPolarHBondContact OG-CD2 3.2Å
147	V	98.5	Very high	86.3	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	117.2	-179.8	-170.7	0	0	0	0	108.6	P125 K126 V127 F150 I155 I157 Q184 T185 V203	P125-V147 HydrophobicContact CB-CG1 3.53Å; K126-V147 WeakPolarHBondContact O-CA 3.46Å; V127-V147 HydrophobicContact CG1-CG2 4.41Å; V127-V147 HydrophobicContact CG2-CG1 4.36Å; V147-F150 HydrophobicContact CB-CE1 4.33Å; V147-F150 HydrophobicContact CG1-CD1 3.85Å; V147-F150 HydrophobicContact CG1-CE1 3.86Å; V147-I155 HydrophobicContact CG1-CD1 3.68Å; V147-I157 HydrophobicContact CB-CD1 4.06Å; V147-I157 HydrophobicContact CG1-CD1 4.45Å; V147-I157 HydrophobicContact CG2-CD1 3.69Å; V147-I157 HydrophobicContact CG2-CG1 4.3Å; V147-Q184 CarbonylContact O-C 3.56Å; V147-Q184 VanDerWaalsContact O-CA 3.24Å; V147-Q184 WeakPolarHBondContact O-CA 3.44Å; V147-T185 HydrophobicContact CB-CG2 4.38Å; V147-T185 PolarHBondContact N-O 3.03Å; V147-T185 PolarHBondContact O-N 3.24Å; V147-V203 HydrophobicContact CG1-CG1 4.22Å; V147-V203 HydrophobicContact CG2-CG2 3.91Å
148	S	98.1	Very high	88.7	Confident	17 Å²	17	52.3 Å²	52.3	12%	0.119	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	170.2	-174.3	68.9	0	0	0	0	112.9	P125 K126 F150	P125-S148 CarbonylContact C-O 3.52Å; P125-S148 WeakPolarHBondContact CA-O 3.42Å; K126-S148 PolarHBondContact N-O 3.19Å; K126-S148 PolarHBondContact O-N 3.1Å; S148-F150 VanDerWaalsContact C-N 3.29Å; S148-F150 PolarHBondContact O-N 3.39Å
149	D	97.4	Very high	91.2	Very high	71 Å²	71	46.2 Å²	46.2	38%	0.38	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	61.7	30.8	168.5	-46.6	-46.3	0	0	0	114.2	A123 Y183	A123-D149 WeakPolarHBondContact CB-O 3.38Å; D149-Y183 PolarHBondContact N-O 3.24Å; D149-Y183 VanDerWaalsContact N-O 3.13Å
150	F	98	Very high	93.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	154.3	-178.3	66.5	-89.5	0	0	0	113.8	A123 P125 V147 S148 P152 I155 L175 T182 Y183 T185 H205	A123-F150 WeakPolarHBondContact O-CA 3.43Å; P125-F150 HydrophobicContact CB-CB 3.78Å; P125-F150 HydrophobicContact CB-CD1 4.21Å; P125-F150 HydrophobicContact CB-CG 4.27Å; P125-F150 HydrophobicContact CG-CB 4.43Å; V147-F150 HydrophobicContact CB-CE1 4.33Å; V147-F150 HydrophobicContact CG1-CD1 3.85Å; V147-F150 HydrophobicContact CG1-CE1 3.86Å; S148-F150 VanDerWaalsContact C-N 3.29Å; S148-F150 PolarHBondContact O-N 3.39Å; F150-P152 WeakPolarHBondContact CD2-O 3.42Å; F150-I155 HydrophobicContact CD1-CD1 4.02Å; F150-I155 HydrophobicContact CD2-CB 4.42Å; F150-I155 HydrophobicContact CD2-CD1 3.81Å; F150-I155 HydrophobicContact CE1-CD1 3.91Å; F150-I155 HydrophobicContact CE2-CB 3.88Å; F150-I155 HydrophobicContact CE2-CD1 3.72Å; F150-I155 HydrophobicContact CE2-CG1 4.41Å; F150-I155 HydrophobicContact CE2-CG2 3.79Å; F150-I155 HydrophobicContact CG-CD1 3.96Å; F150-I155 HydrophobicContact CZ-CB 4.34Å; F150-I155 HydrophobicContact CZ-CD1 3.77Å; F150-I155 HydrophobicContact CZ-CG2 3.86Å; F150-L175 HydrophobicContact CE2-CD1 3.89Å; F150-L175 HydrophobicContact CZ-CD1 3.55Å; F150-T182 WeakPolarHBondContact O-CA 3.35Å; F150-Y183 VanDerWaalsContact CD1-O 3.26Å; F150-Y183 WeakPolarHBondContact CD1-O 3.35Å; F150-Y183 WeakPolarHBondContact CE1-O 3.25Å; F150-Y183 PolarHBondContact N-O 2.9Å; F150-Y183 PolarHBondContact O-N 2.93Å; F150-T185 HydrophobicContact CE1-CG2 4.27Å; F150-T185 HydrophobicContact CZ-CG2 4.09Å; F150-H205 AromaticContact CD2-CD2 3.95Å; F150-H205 AromaticContact CD2-NE2 3.78Å
151	Y	97.3	Very high	95.4	Very high	26 Å²	26	37.4 Å²	37.4	10%	0.102	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-157.4	137.8	174.1	-174.8	-86.8	0	0	0	110	M118 L121 K122 A123 W181 Y183 H205	M118-Y151 WeakPolarHBondContact CE-OH 3.34Å; L121-Y151 HydrophobicContact CB-CD1 4.37Å; L121-Y151 HydrophobicContact CB-CE1 4.17Å; L121-Y151 HydrophobicContact CD2-CD1 4.14Å; L121-Y151 HydrophobicContact CD2-CE1 3.82Å; L121-Y151 HydrophobicContact CG-CD1 3.92Å; L121-Y151 HydrophobicContact CG-CE1 3.96Å; L121-Y151 WeakPolarHBondContact O-CD1 3.17Å; L121-Y151 WeakPolarHBondContact O-CE1 3.46Å; K122-Y151 WeakPolarHBondContact CA-O 3.46Å; A123-Y151 PolarHBondContact N-O 3.33Å; A123-Y151 PolarHBondContact O-N 2.74Å; Y151-W181 WeakPolarHBondContact CB-O 3.01Å; Y151-W181 WeakPolarHBondContact CD2-O 3.38Å; Y151-W181 HydrophobicContact CE2-CE3 4.32Å; Y151-Y183 AromaticContact CD2-CD2 3.96Å; Y151-Y183 HydrophobicContact CD2-CD2 3.96Å; Y151-Y183 AromaticContact CD2-CE2 3.49Å; Y151-Y183 HydrophobicContact CD2-CE2 3.49Å; Y151-Y183 VanDerWaalsContact CD2-CE2 3.49Å; Y151-Y183 AromaticContact CE2-CE2 3.75Å; Y151-Y183 HydrophobicContact CE2-CE2 3.75Å; Y151-H205 VanDerWaalsContact C-CE1 3.44Å; Y151-H205 PolarHBondContact O-CE1 3Å
152	P	96.2	Very high	96.3	Very high	36 Å²	36	38.2 Å²	38.2	23%	0.234	20%	0.201	C	C	.	.	S	Bend	cis	-74.5	177.6	6.3	32.3	-37.7	0	0	0	114	F150 T154 H205 P206	F150-P152 WeakPolarHBondContact CD2-O 3.42Å; P152-T154 PolarHBondContact O-N 3.32Å; P152-H205 PolarHBondContact O-NE2 3.45Å; P152-P206 HydrophobicContact CG-CG 4.35Å
153	G	95.6	Very high	96.6	Very high	21 Å²	21	39 Å²	39	22%	0.216	22%	0.22	C	C	.	.	S	Bend	trans	-68	-18.4	-178.2	0	0	0	0	0	115.1	I155	G153-I155 PolarHBondContact O-N 3.19Å
154	T	95.3	Very high	96.8	Very high	110 Å²	110	46.4 Å²	46.4	68%	0.675	25%	0.254	S	S	*	.			trans	-71	114.1	178.1	-52.2	0	0	0	0	110.5	P152 H205 P206	P152-T154 PolarHBondContact O-N 3.32Å; T154-H205 PolarHBondContact O-CD2 2.93Å; T154-H205 VanDerWaalsContact O-CD2 3.31Å; T154-P206 WeakPolarHBondContact O-CD 3.46Å
155	I	97.8	Very high	96.9	Very high	41 Å²	41	49.8 Å²	49.8	21%	0.21	27%	0.269	C	S	.	.			trans	-145.3	148	-177.5	-164.7	164.5	0	0	0	110.2	P125 V147 F150 G153 I157 V203 E204 H205	P125-I155 HydrophobicContact CB-CD1 4.44Å; V147-I155 HydrophobicContact CG1-CD1 3.68Å; F150-I155 HydrophobicContact CD1-CD1 4.02Å; F150-I155 HydrophobicContact CD2-CB 4.42Å; F150-I155 HydrophobicContact CD2-CD1 3.81Å; F150-I155 HydrophobicContact CE1-CD1 3.91Å; F150-I155 HydrophobicContact CE2-CB 3.88Å; F150-I155 HydrophobicContact CE2-CD1 3.72Å; F150-I155 HydrophobicContact CE2-CG1 4.41Å; F150-I155 HydrophobicContact CE2-CG2 3.79Å; F150-I155 HydrophobicContact CG-CD1 3.96Å; F150-I155 HydrophobicContact CZ-CB 4.34Å; F150-I155 HydrophobicContact CZ-CD1 3.77Å; F150-I155 HydrophobicContact CZ-CG2 3.86Å; G153-I155 PolarHBondContact O-N 3.19Å; I155-I157 HydrophobicContact CD1-CD1 4.29Å; I155-I157 HydrophobicContact CD1-CG1 4.32Å; I155-I157 HydrophobicContact CG1-CD1 4.42Å; I155-I157 HydrophobicContact CG1-CG1 4.1Å; I155-I157 HydrophobicContact CG2-CD1 4.24Å; I155-V203 HydrophobicContact CD1-CG1 3.72Å; I155-V203 HydrophobicContact CG1-CG1 4.01Å; I155-E204 WeakPolarHBondContact CG1-O 3.36Å; I155-H205 HydrophobicContact CD1-CB 4.38Å; I155-H205 HydrophobicContact CG1-CB 4.17Å
156	E	97.9	Very high	96.8	Very high	95 Å²	95	52 Å²	52	44%	0.444	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.3	172.7	-177.5	-178.6	161.9	0	0	109.3	R158 E204	E156-R158 HydrophobicContact CG-CG 4.42Å; E156-R158 WeakPolarHBondContact OE1-CD 2.96Å; E156-R158 IonicContact OE1-CZ 3.74Å; E156-R158 IonicContact OE1-NE 3.53Å; E156-R158 PolarHBondContact OE1-NE 3.44Å; E156-R158 VanDerWaalsContact OE1-NE 3.09Å; E156-R158 IonicContact OE1-NH2 3.65Å; E156-E204 HydrophobicContact CB-CB 4.19Å; E156-E204 PolarHBondContact N-O 3.46Å; E156-E204 PolarHBondContact O-N 2.85Å
157	I	98.3	Very high	96.7	Very high	31 Å²	31	58.2 Å²	58.2	16%	0.159	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125.6	-175.9	-56.5	165.5	0	0	0	108.2	V147 I155 T185 V187 Q202 V203	V147-I157 HydrophobicContact CB-CD1 4.06Å; V147-I157 HydrophobicContact CG1-CD1 4.45Å; V147-I157 HydrophobicContact CG2-CD1 3.69Å; V147-I157 HydrophobicContact CG2-CG1 4.3Å; I155-I157 HydrophobicContact CD1-CD1 4.29Å; I155-I157 HydrophobicContact CD1-CG1 4.32Å; I155-I157 HydrophobicContact CG1-CD1 4.42Å; I155-I157 HydrophobicContact CG1-CG1 4.1Å; I155-I157 HydrophobicContact CG2-CD1 4.24Å; I157-T185 HydrophobicContact CD1-CG2 3.42Å; I157-T185 VanDerWaalsContact CD1-CG2 3.42Å; I157-V187 HydrophobicContact CB-CG2 3.85Å; I157-V187 HydrophobicContact CD1-CG2 3.75Å; I157-V187 HydrophobicContact CG1-CG2 4.42Å; I157-V187 HydrophobicContact CG2-CB 3.92Å; I157-V187 HydrophobicContact CG2-CG1 4.34Å; I157-V187 HydrophobicContact CG2-CG2 3.62Å; I157-Q202 WeakPolarHBondContact CA-O 3.44Å; I157-V203 HydrophobicContact CG1-CG1 4.34Å; I157-V203 HydrophobicContact CG1-CG2 4.25Å; I157-V203 HydrophobicContact CG2-CG2 4.27Å
158	R	98.3	Very high	96.5	Very high	63 Å²	63	63.5 Å²	63.5	24%	0.238	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	142.4	-176	-68	-173	-79.5	166.5	-10.8	111.4	E156 F160 E165 Q202 E204	E156-R158 HydrophobicContact CG-CG 4.42Å; E156-R158 WeakPolarHBondContact OE1-CD 2.96Å; E156-R158 IonicContact OE1-CZ 3.74Å; E156-R158 IonicContact OE1-NE 3.53Å; E156-R158 PolarHBondContact OE1-NE 3.44Å; E156-R158 VanDerWaalsContact OE1-NE 3.09Å; E156-R158 IonicContact OE1-NH2 3.65Å; R158-F160 HydrophobicContact CB-CD2 4.49Å; R158-F160 HydrophobicContact CB-CE2 3.78Å; R158-F160 HydrophobicContact CB-CZ 4.49Å; R158-E165 IonicContact NH1-OE2 2.91Å; R158-E165 PolarHBondContact NH1-OE2 3.34Å; R158-Q202 PolarHBondContact N-O 3.29Å; R158-Q202 PolarHBondContact O-N 3.11Å; R158-E204 IonicContact CZ-OE1 2.64Å; R158-E204 IonicContact NE-OE1 2.82Å; R158-E204 IonicContact NH2-OE1 3.86Å; R158-E204 PolarHBondContact NH2-OE1 2.88Å
159	W	97.9	Very high	96.1	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.008	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	143.6	171.7	-83.9	109.5	0	0	0	110.8	V129 L143 C145 E165 E166 V170 V187 L189 T200 C201	V129-W159 HydrophobicContact CG1-CH2 3.68Å; V129-W159 HydrophobicContact CG1-CZ3 4.28Å; V129-W159 HydrophobicContact CG2-CH2 4.16Å; L143-W159 HydrophobicContact CB-CH2 4.31Å; L143-W159 HydrophobicContact CB-CZ2 4.5Å; L143-W159 HydrophobicContact CD2-CE3 4.42Å; L143-W159 HydrophobicContact CD2-CH2 3.42Å; L143-W159 VanDerWaalsContact CD2-CH2 3.42Å; L143-W159 HydrophobicContact CD2-CZ2 4.32Å; L143-W159 HydrophobicContact CD2-CZ3 3.48Å; L143-W159 VanDerWaalsContact CD2-CZ3 3.48Å; L143-W159 HydrophobicContact CG-CH2 3.59Å; L143-W159 HydrophobicContact CG-CZ2 4.2Å; L143-W159 HydrophobicContact CG-CZ3 4.19Å; C145-W159 HydrophobicContact CB-CH2 3.99Å; C145-W159 HydrophobicContact CB-CZ2 3.45Å; C145-W159 VanDerWaalsContact CB-CZ2 3.45Å; W159-E165 WeakPolarHBondContact O-CA 3.43Å; W159-E166 HydrophobicContact CB-CB 4.36Å; W159-E166 PolarHBondContact O-N 3.22Å; W159-V170 HydrophobicContact CB-CG2 4.26Å; W159-V170 HydrophobicContact CG-CG2 4.43Å; W159-V187 PolarHBondContact NE1-O 2.79Å; W159-V187 VanDerWaalsContact NE1-O 3.15Å; W159-L189 HydrophobicContact CB-CD2 4.45Å; W159-L189 HydrophobicContact CD2-CB 4.09Å; W159-L189 HydrophobicContact CD2-CD2 4.18Å; W159-L189 HydrophobicContact CE3-CD2 4.3Å; W159-L189 HydrophobicContact CG-CB 4.12Å; W159-L189 HydrophobicContact CG-CD2 4.27Å; W159-L189 HydrophobicContact CZ2-CB 4.39Å; W159-T200 CarbonylContact C-O 3.59Å; W159-C201 HydrophobicContact CE3-CB 4.28Å; W159-C201 HydrophobicContact CH2-CB 4.12Å; W159-C201 HydrophobicContact CZ3-CB 3.99Å
160	F	97.4	Very high	96	Very high	30 Å²	30	63.1 Å²	63.1	13%	0.132	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	141.7	171.2	-66	-102.6	0	0	0	109.7	R158 E164 E165 Y199 T200 Q202	R158-F160 HydrophobicContact CB-CD2 4.49Å; R158-F160 HydrophobicContact CB-CE2 3.78Å; R158-F160 HydrophobicContact CB-CZ 4.49Å; F160-E164 CarbonylContact C-O 3.57Å; F160-E164 WeakPolarHBondContact CA-O 3.32Å; F160-E165 HydrophobicContact CD1-CB 4.08Å; F160-E165 HydrophobicContact CE1-CB 3.78Å; F160-E165 HydrophobicContact CE1-CG 4.31Å; F160-E165 HydrophobicContact CZ-CB 4.24Å; F160-E165 HydrophobicContact CZ-CG 4.28Å; F160-Y199 CarbonylContact O-C 3.6Å; F160-Y199 WeakPolarHBondContact O-CA 3.38Å; F160-T200 PolarHBondContact N-O 3.15Å; F160-T200 PolarHBondContact O-N 3.12Å; F160-Q202 HydrophobicContact CD2-CB 4.08Å; F160-Q202 HydrophobicContact CE2-CB 3.69Å; F160-Q202 HydrophobicContact CE2-CG 4.44Å
161	R	94.8	Very high	95.8	Very high	83 Å²	83	67 Å²	67	31%	0.313	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119	172.1	-177.6	-179.4	-179.7	-177.5	0.4	108.4	G163 E164 E197 Y199	R161-G163 PolarHBondContact O-N 2.95Å; R161-E164 PolarHBondContact N-O 3.04Å; R161-E164 PolarHBondContact O-N 3.35Å; R161-E197 IonicContact CZ-OE1 3.95Å; R161-E197 IonicContact NE-OE1 3.68Å; R161-E197 PolarHBondContact NE-OE1 2.8Å; R161-E197 IonicContact NH2-OE1 3.63Å; R161-E197 PolarHBondContact NH2-OE1 2.8Å; R161-E197 IonicContact NH2-OE2 2.65Å; R161-Y199 HydrophobicContact CB-CD1 4.34Å; R161-Y199 HydrophobicContact CB-CE1 4.26Å; R161-Y199 HydrophobicContact CG-CD1 4.3Å; R161-Y199 HydrophobicContact CG-CE1 3.85Å
162	N	93.6	Very high	95.8	Very high	100 Å²	100	69.7 Å²	69.7	54%	0.535	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	29.4	-177.2	-57.6	-34.9	0	0	0	114.1	V198	N162-V198 PolarHBondContact N-O 2.78Å; N162-V198 PolarHBondContact OD1-N 2.84Å
163	G	93.1	Very high	95.7	Very high	62 Å²	62	70.1 Å²	70.1	64%	0.639	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.2	-9.2	179.3	0	0	0	0	0	115.5	R161	R161-G163 PolarHBondContact O-N 2.95Å
164	E	96.4	Very high	95.7	Very high	157 Å²	157	76 Å²	76	73%	0.734	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	140.1	175.1	-64.1	-173.8	169.4	0	0	110.9	F160 R161 E166	F160-E164 CarbonylContact C-O 3.57Å; F160-E164 WeakPolarHBondContact CA-O 3.32Å; R161-E164 PolarHBondContact N-O 3.04Å; R161-E164 PolarHBondContact O-N 3.35Å; E164-E166 PolarHBondContact O-N 2.88Å
165	E	97.3	Very high	95.8	Very high	79 Å²	79	74.6 Å²	74.6	37%	0.369	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	124.5	-178.8	-169.9	177	140.6	0	0	110.4	R158 W159 F160 K167	R158-E165 IonicContact NH1-OE2 2.91Å; R158-E165 PolarHBondContact NH1-OE2 3.34Å; W159-E165 WeakPolarHBondContact O-CA 3.43Å; F160-E165 HydrophobicContact CD1-CB 4.08Å; F160-E165 HydrophobicContact CE1-CB 3.78Å; F160-E165 HydrophobicContact CE1-CG 4.31Å; F160-E165 HydrophobicContact CZ-CB 4.24Å; F160-E165 HydrophobicContact CZ-CG 4.28Å; E165-K167 WeakPolarHBondContact OE1-CE 3.41Å; E165-K167 IonicContact OE1-NZ 3.21Å
166	E	95.5	Very high	95.8	Very high	45 Å²	45	76.3 Å²	76.3	21%	0.21	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.9	179.1	-177	61.1	-93.4	0	0	109.7	W159 E164 T168 V170 L189	W159-E166 HydrophobicContact CB-CB 4.36Å; W159-E166 PolarHBondContact O-N 3.22Å; E164-E166 PolarHBondContact O-N 2.88Å; E166-T168 VanDerWaalsContact OE1-CB 3.31Å; E166-T168 WeakPolarHBondContact OE1-CB 3.25Å; E166-T168 PolarHBondContact OE1-N 2.9Å; E166-T168 PolarHBondContact OE1-OG1 2.66Å; E166-V170 WeakPolarHBondContact O-CG2 3.34Å; E166-L189 HydrophobicContact CG-CD1 3.65Å; E166-L189 HydrophobicContact CG-CD2 4.4Å
167	K	95.4	Very high	95.7	Very high	154 Å²	154	75.3 Å²	75.3	67%	0.67	42%	0.417	S	S	*	.			trans	-117.2	-21.2	178.7	-64.3	-176.9	179.1	-179	0	112	E165	E165-K167 WeakPolarHBondContact OE1-CE 3.41Å; E165-K167 IonicContact OE1-NZ 3.21Å
168	T	93.9	Very high	95.6	Very high	111 Å²	111	76.4 Å²	76.4	68%	0.681	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	132.3	-176.4	-46.2	0	0	0	0	109	E166 V170 L189	E166-T168 VanDerWaalsContact OE1-CB 3.31Å; E166-T168 WeakPolarHBondContact OE1-CB 3.25Å; E166-T168 PolarHBondContact OE1-N 2.9Å; E166-T168 PolarHBondContact OE1-OG1 2.66Å; T168-V170 PolarHBondContact O-N 2.75Å; T168-L189 WeakPolarHBondContact O-CD1 3.39Å
169	G	90.4	Very high	95.4	Very high	29 Å²	29	76.9 Å²	76.9	30%	0.299	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	13.1	-179.4	0	0	0	0	0	114.4	E190	G169-E190 PolarHBondContact O-N 2.79Å
170	V	95.6	Very high	95.3	Very high	50 Å²	50	81.2 Å²	81.2	30%	0.303	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	126	173.9	179.4	0	0	0	0	110	W159 E166 T168 V187 M188 L189	W159-V170 HydrophobicContact CB-CG2 4.26Å; W159-V170 HydrophobicContact CG-CG2 4.43Å; E166-V170 WeakPolarHBondContact O-CG2 3.34Å; T168-V170 PolarHBondContact O-N 2.75Å; V170-V187 HydrophobicContact CG1-CG1 3.62Å; V170-M188 CarbonylContact C-O 3.57Å; V170-M188 VanDerWaalsContact CA-O 3.29Å; V170-M188 WeakPolarHBondContact CA-O 3.48Å; V170-L189 HydrophobicContact CG2-CD1 3.76Å
171	V	94.6	Very high	95.1	Very high	82 Å²	82	87.1 Å²	87.1	50%	0.497	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	126.3	178.4	-177.7	0	0	0	0	109.1	M188	V171-M188 HydrophobicContact CB-CE 4.25Å; V171-M188 HydrophobicContact CG1-CE 4.01Å; V171-M188 PolarHBondContact N-O 3.41Å; V171-M188 PolarHBondContact O-N 2.92Å
172	S	95.5	Very high	95.2	Very high	83 Å²	83	84.1 Å²	84.1	58%	0.58	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	145.2	175.3	58.9	0	0	0	0	111.7	L186	S172-L186 CarbonylContact C-O 3.53Å; S172-L186 VanDerWaalsContact CA-O 3.31Å; S172-L186 WeakPolarHBondContact CA-O 3.36Å
173	T	95.1	Very high	95.4	Very high	45 Å²	45	82.3 Å²	82.3	28%	0.276	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-78.1	160.8	165.6	64.8	0	0	0	0	110.7	T185 L186 M188	T173-T185 PolarHBondContact O-OG1 2.73Å; T173-T185 PolarHBondContact OG1-OG1 2.91Å; T173-L186 HydrophobicContact CG2-CB 3.91Å; T173-L186 HydrophobicContact CG2-CD1 4.38Å; T173-L186 HydrophobicContact CG2-CG 4.45Å; T173-L186 PolarHBondContact N-O 3.24Å; T173-L186 PolarHBondContact OG1-N 3.31Å; T173-M188 HydrophobicContact CG2-CE 4.12Å
174	D	96.3	Very high	95.6	Very high	145 Å²	145	82.7 Å²	82.7	78%	0.775	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-57.7	159.6	165.1	-65.9	-40.1	0	0	0	111.2	I176	D174-I176 PolarHBondContact O-N 3.03Å
175	L	96.7	Very high	95.7	Very high	79 Å²	79	75.7 Å²	75.7	41%	0.414	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-70.8	120.7	174.8	-169.8	72.7	0	0	0	109.8	F150 Y183	F150-L175 HydrophobicContact CE2-CD1 3.89Å; F150-L175 HydrophobicContact CZ-CD1 3.55Å; L175-Y183 HydrophobicContact CD1-CD1 4.31Å; L175-Y183 HydrophobicContact CD1-CG 4.15Å; L175-Y183 HydrophobicContact CD2-CD1 3.51Å; L175-Y183 HydrophobicContact CD2-CD2 4.41Å; L175-Y183 HydrophobicContact CD2-CE1 3.85Å; L175-Y183 HydrophobicContact CD2-CG 3.82Å; L175-Y183 HydrophobicContact CG-CD1 3.64Å; L175-Y183 HydrophobicContact CG-CE1 4.39Å; L175-Y183 HydrophobicContact CG-CG 3.97Å
176	I	97.1	Very high	95.7	Very high	78 Å²	78	74.5 Å²	74.5	40%	0.4	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.9	179.9	-58.5	164.6	0	0	0	108.5	D174 Y183 Q184	D174-I176 PolarHBondContact O-N 3.03Å; I176-Y183 CarbonylContact O-C 3.47Å; I176-Y183 VanDerWaalsContact O-CA 3.26Å; I176-Y183 WeakPolarHBondContact O-CA 3.33Å; I176-Q184 HydrophobicContact CB-CG 3.74Å; I176-Q184 HydrophobicContact CD1-CG 4.35Å; I176-Q184 HydrophobicContact CG2-CG 4.1Å; I176-Q184 PolarHBondContact N-O 3.19Å; I176-Q184 PolarHBondContact O-N 3.4Å
177	S	96.8	Very high	95.8	Very high	74 Å²	74	72.8 Å²	72.8	52%	0.517	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	128	171.7	-173.3	0	0	0	0	110.4	G179	S177-G179 VanDerWaalsContact C-N 3.31Å
178	N	96.1	Very high	95.8	Very high	54 Å²	54	67.4 Å²	67.4	29%	0.289	39%	0.388	S	S	.	.			trans	-82	-10.4	-178.7	-66.8	-25.8	0	0	0	113.2	D180 T182 Q184	N178-D180 VanDerWaalsContact C-N 3.26Å; N178-D180 VanDerWaalsContact CB-OD1 3.26Å; N178-D180 WeakPolarHBondContact CB-OD1 3.35Å; N178-D180 PolarHBondContact O-N 3.33Å; N178-T182 PolarHBondContact N-O 3.01Å; N178-T182 PolarHBondContact ND2-OG1 2.85Å; N178-Q184 VanDerWaalsContact OD1-CD 3.24Å; N178-Q184 WeakPolarHBondContact OD1-CG 3.14Å; N178-Q184 PolarHBondContact OD1-NE2 2.89Å
179	G	94.6	Very high	95.8	Very high	72 Å²	72	62.3 Å²	62.3	74%	0.742	36%	0.357	S	S	*	.	S	Bend	trans	81.1	-0.7	-177	0	0	0	0	0	114.9	S177	S177-G179 VanDerWaalsContact C-N 3.31Å
180	D	94.6	Very high	95.9	Very high	94 Å²	94	65.3 Å²	65.3	50%	0.503	36%	0.363	S	S	.	.	S	Bend	trans	-113.8	23.5	179.4	68.4	-7.8	0	0	0	112.8	N178 T182	N178-D180 VanDerWaalsContact C-N 3.26Å; N178-D180 VanDerWaalsContact CB-OD1 3.26Å; N178-D180 WeakPolarHBondContact CB-OD1 3.35Å; N178-D180 PolarHBondContact O-N 3.33Å; D180-T182 VanDerWaalsContact C-N 3.25Å; D180-T182 PolarHBondContact O-N 2.99Å; D180-T182 WeakPolarHBondContact OD1-CB 3.4Å; D180-T182 PolarHBondContact OD1-N 3.34Å; D180-T182 PolarHBondContact OD1-OG1 2.82Å
181	W	92.8	Very high	95.4	Very high	154 Å²	154	63.9 Å²	63.9	58%	0.583	35%	0.354	S	S	*	.	S	Bend	trans	69.2	11.5	-171.9	-60.3	76.4	0	0	0	115.4	M118 L121 Y151	M118-W181 HydrophobicContact CE-CZ3 4.08Å; M118-W181 HydrophobicContact SD-CZ3 4.07Å; L121-W181 HydrophobicContact CD2-CD2 4.39Å; L121-W181 HydrophobicContact CD2-CE3 3.73Å; L121-W181 HydrophobicContact CD2-CZ3 4.22Å; Y151-W181 WeakPolarHBondContact CB-O 3.01Å; Y151-W181 WeakPolarHBondContact CD2-O 3.38Å; Y151-W181 HydrophobicContact CE2-CE3 4.32Å
182	T	97.3	Very high	94.9	Very high	20 Å²	20	64.6 Å²	64.6	12%	0.123	36%	0.359	C	S	.	.			trans	-110.3	162	170.3	71.4	0	0	0	0	112.2	F150 N178 D180	F150-T182 WeakPolarHBondContact O-CA 3.35Å; N178-T182 PolarHBondContact N-O 3.01Å; N178-T182 PolarHBondContact ND2-OG1 2.85Å; D180-T182 VanDerWaalsContact C-N 3.25Å; D180-T182 PolarHBondContact O-N 2.99Å; D180-T182 WeakPolarHBondContact OD1-CB 3.4Å; D180-T182 PolarHBondContact OD1-N 3.34Å; D180-T182 PolarHBondContact OD1-OG1 2.82Å
183	Y	98.1	Very high	94.1	Very high	62 Å²	62	62.7 Å²	62.7	24%	0.243	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	161.6	175.8	-61	-81.2	0	0	0	111.7	D149 F150 Y151 L175 I176	D149-Y183 PolarHBondContact N-O 3.24Å; D149-Y183 VanDerWaalsContact N-O 3.13Å; F150-Y183 VanDerWaalsContact CD1-O 3.26Å; F150-Y183 WeakPolarHBondContact CD1-O 3.35Å; F150-Y183 WeakPolarHBondContact CE1-O 3.25Å; F150-Y183 PolarHBondContact N-O 2.9Å; F150-Y183 PolarHBondContact O-N 2.93Å; Y151-Y183 AromaticContact CD2-CD2 3.96Å; Y151-Y183 HydrophobicContact CD2-CD2 3.96Å; Y151-Y183 AromaticContact CD2-CE2 3.49Å; Y151-Y183 HydrophobicContact CD2-CE2 3.49Å; Y151-Y183 VanDerWaalsContact CD2-CE2 3.49Å; Y151-Y183 AromaticContact CE2-CE2 3.75Å; Y151-Y183 HydrophobicContact CE2-CE2 3.75Å; L175-Y183 HydrophobicContact CD1-CD1 4.31Å; L175-Y183 HydrophobicContact CD1-CG 4.15Å; L175-Y183 HydrophobicContact CD2-CD1 3.51Å; L175-Y183 HydrophobicContact CD2-CD2 4.41Å; L175-Y183 HydrophobicContact CD2-CE1 3.85Å; L175-Y183 HydrophobicContact CD2-CG 3.82Å; L175-Y183 HydrophobicContact CG-CD1 3.64Å; L175-Y183 HydrophobicContact CG-CE1 4.39Å; L175-Y183 HydrophobicContact CG-CG 3.97Å; I176-Y183 CarbonylContact O-C 3.47Å; I176-Y183 VanDerWaalsContact O-CA 3.26Å; I176-Y183 WeakPolarHBondContact O-CA 3.33Å
184	Q	98.1	Very high	93.3	Very high	69 Å²	69	66.8 Å²	66.8	32%	0.322	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	153.6	170.3	64.6	-175.3	-2.4	0	0	111.4	V147 I176 N178	V147-Q184 CarbonylContact O-C 3.56Å; V147-Q184 VanDerWaalsContact O-CA 3.24Å; V147-Q184 WeakPolarHBondContact O-CA 3.44Å; I176-Q184 HydrophobicContact CB-CG 3.74Å; I176-Q184 HydrophobicContact CD1-CG 4.35Å; I176-Q184 HydrophobicContact CG2-CG 4.1Å; I176-Q184 PolarHBondContact N-O 3.19Å; I176-Q184 PolarHBondContact O-N 3.4Å; N178-Q184 VanDerWaalsContact OD1-CD 3.24Å; N178-Q184 WeakPolarHBondContact OD1-CG 3.14Å; N178-Q184 PolarHBondContact OD1-NE2 2.89Å
185	T	98.2	Very high	92.4	Very high	11 Å²	11	62.5 Å²	62.5	7%	0.067	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	153.3	174.7	-176.7	0	0	0	0	110	V147 F150 I157 T173	V147-T185 HydrophobicContact CB-CG2 4.38Å; V147-T185 PolarHBondContact N-O 3.03Å; V147-T185 PolarHBondContact O-N 3.24Å; F150-T185 HydrophobicContact CE1-CG2 4.27Å; F150-T185 HydrophobicContact CZ-CG2 4.09Å; I157-T185 HydrophobicContact CD1-CG2 3.42Å; I157-T185 VanDerWaalsContact CD1-CG2 3.42Å; T173-T185 PolarHBondContact O-OG1 2.73Å; T173-T185 PolarHBondContact OG1-OG1 2.91Å
186	L	97.3	Very high	91.7	Very high	54 Å²	54	61.9 Å²	61.9	28%	0.283	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.2	175.6	-56	176.3	0	0	0	108.9	V144 S146 S172 T173	V144-L186 HydrophobicContact CG1-CB 4.42Å; V144-L186 HydrophobicContact CG1-CD2 4.19Å; S146-L186 WeakPolarHBondContact OG-CD2 3.2Å; S172-L186 CarbonylContact C-O 3.53Å; S172-L186 VanDerWaalsContact CA-O 3.31Å; S172-L186 WeakPolarHBondContact CA-O 3.36Å; T173-L186 HydrophobicContact CG2-CB 3.91Å; T173-L186 HydrophobicContact CG2-CD1 4.38Å; T173-L186 HydrophobicContact CG2-CG 4.45Å; T173-L186 PolarHBondContact N-O 3.24Å; T173-L186 PolarHBondContact OG1-N 3.31Å
187	V	97.3	Very high	91.3	Very high	8 Å²	8	59.1 Å²	59.1	5%	0.048	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	110.7	171.5	-172.9	0	0	0	0	108.7	C145 I157 W159 V170	C145-V187 WeakPolarHBondContact CB-O 3.03Å; C145-V187 PolarHBondContact N-O 2.74Å; C145-V187 PolarHBondContact O-N 2.87Å; I157-V187 HydrophobicContact CB-CG2 3.85Å; I157-V187 HydrophobicContact CD1-CG2 3.75Å; I157-V187 HydrophobicContact CG1-CG2 4.42Å; I157-V187 HydrophobicContact CG2-CB 3.92Å; I157-V187 HydrophobicContact CG2-CG1 4.34Å; I157-V187 HydrophobicContact CG2-CG2 3.62Å; W159-V187 PolarHBondContact NE1-O 2.79Å; W159-V187 VanDerWaalsContact NE1-O 3.15Å; V170-V187 HydrophobicContact CG1-CG1 3.62Å
188	M	95.1	Very high	91.1	Very high	42 Å²	42	56.6 Å²	56.6	21%	0.207	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	140.2	-173.4	-60.4	165.9	-71.1	0	0	109.6	L142 L143 V144 V170 V171 T173	L142-M188 HydrophobicContact CD2-CB 4.32Å; L143-M188 CarbonylContact O-C 3.58Å; L143-M188 WeakPolarHBondContact O-CA 3.48Å; V144-M188 HydrophobicContact CG1-CG 4.27Å; V144-M188 HydrophobicContact CG2-CG 4.21Å; V170-M188 CarbonylContact C-O 3.57Å; V170-M188 VanDerWaalsContact CA-O 3.29Å; V170-M188 WeakPolarHBondContact CA-O 3.48Å; V171-M188 HydrophobicContact CB-CE 4.25Å; V171-M188 HydrophobicContact CG1-CE 4.01Å; V171-M188 PolarHBondContact N-O 3.41Å; V171-M188 PolarHBondContact O-N 2.92Å; T173-M188 HydrophobicContact CG2-CE 4.12Å
189	L	94.3	Very high	91.1	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.016	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	119.9	173.7	172.5	65.1	0	0	0	109	L142 L143 W159 E166 T168 V170 T191 Y199	L142-L189 WeakPolarHBondContact CA-O 3.49Å; L143-L189 HydrophobicContact CB-CB 4.48Å; L143-L189 PolarHBondContact N-O 2.8Å; L143-L189 PolarHBondContact O-N 2.91Å; W159-L189 HydrophobicContact CB-CD2 4.45Å; W159-L189 HydrophobicContact CD2-CB 4.09Å; W159-L189 HydrophobicContact CD2-CD2 4.18Å; W159-L189 HydrophobicContact CE3-CD2 4.3Å; W159-L189 HydrophobicContact CG-CB 4.12Å; W159-L189 HydrophobicContact CG-CD2 4.27Å; W159-L189 HydrophobicContact CZ2-CB 4.39Å; E166-L189 HydrophobicContact CG-CD1 3.65Å; E166-L189 HydrophobicContact CG-CD2 4.4Å; T168-L189 WeakPolarHBondContact O-CD1 3.39Å; V170-L189 HydrophobicContact CG2-CD1 3.76Å; L189-T191 HydrophobicContact CD2-CG2 4.05Å; L189-T191 HydrophobicContact CG-CG2 4.01Å; L189-T191 PolarHBondContact O-N 2.82Å; L189-Y199 HydrophobicContact CD2-CD1 3.68Å; L189-Y199 HydrophobicContact CD2-CE1 3.92Å
190	E	91.8	Very high	91.2	Very high	92 Å²	92	51.4 Å²	51.4	43%	0.43	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	111.2	171.9	-169	-173.7	154.6	0	0	110.2	H140 L142 G169	H140-E190 HydrophobicContact CB-CG 4.16Å; H140-E190 IonicContact CE1-OE1 3.41Å; H140-E190 PolarHBondContact CE1-OE1 3.39Å; H140-E190 IonicContact CG-OE1 2.73Å; H140-E190 IonicContact ND1-OE1 2.92Å; H140-E190 PolarHBondContact ND1-OE1 2.98Å; H140-E190 IonicContact ND1-OE2 3.34Å; L142-E190 HydrophobicContact CD2-CB 4.07Å; L142-E190 HydrophobicContact CD2-CG 4.48Å; G169-E190 PolarHBondContact O-N 2.79Å
191	T	86.7	Confident	91.4	Very high	20 Å²	20	47 Å²	47	12%	0.123	26%	0.262	C	S	.	.			trans	-159.4	149	-178.9	-178.5	0	0	0	0	111.5	N141 L189 P193 Y199	N141-T191 CarbonylContact C-O 3.5Å; N141-T191 WeakPolarHBondContact CB-O 3.46Å; N141-T191 CarbonylContact O-C 3.52Å; N141-T191 PolarHBondContact O-N 3.48Å; L189-T191 HydrophobicContact CD2-CG2 4.05Å; L189-T191 HydrophobicContact CG-CG2 4.01Å; L189-T191 PolarHBondContact O-N 2.82Å; T191-P193 HydrophobicContact CG2-CG 4.42Å; T191-P193 VanDerWaalsContact O-CD 3.29Å; T191-P193 WeakPolarHBondContact O-CD 3.26Å; T191-Y199 HydrophobicContact CG2-CD1 4.43Å; T191-Y199 HydrophobicContact CG2-CE1 3.74Å; T191-Y199 PolarHBondContact OG1-OH 2.86Å
192	V	83.4	Confident	91.7	Very high	98 Å²	98	40 Å²	40	59%	0.594	24%	0.235	S	C	*	.			trans	-99	99.4	170.9	-178.7	0	0	0	0	108.5	Q194	V192-Q194 PolarHBondContact O-N 3.29Å
193	P	78.9	Confident	91.7	Very high	42 Å²	42	39 Å²	39	27%	0.273	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-69.1	124.3	-169.6	-15.4	29.9	0	0	0	111.6	T191 Y199 W216 A218	T191-P193 HydrophobicContact CG2-CG 4.42Å; T191-P193 VanDerWaalsContact O-CD 3.29Å; T191-P193 WeakPolarHBondContact O-CD 3.26Å; P193-Y199 HydrophobicContact CB-CE2 4.03Å; P193-W216 HydrophobicContact CB-CH2 3.77Å; P193-W216 HydrophobicContact CB-CZ3 3.65Å; P193-W216 HydrophobicContact CG-CH2 3.74Å; P193-W216 HydrophobicContact CG-CZ3 3.82Å; P193-A218 HydrophobicContact CB-CB 3.57Å
194	Q	77.4	Confident	91.7	Very high	132 Å²	132	39 Å²	39	62%	0.617	23%	0.232	S	C	*	.	P	Polyproline II helix	trans	-93.4	148.5	175.1	-60	-160	0.3	0	0	111.3	V192 G196 E197 A218	V192-Q194 PolarHBondContact O-N 3.29Å; Q194-G196 PolarHBondContact O-N 2.87Å; Q194-E197 HydrophobicContact CB-CG 4.17Å; Q194-E197 PolarHBondContact N-OE2 3.3Å; Q194-E197 WeakPolarHBondContact O-CB 3.07Å; Q194-E197 WeakPolarHBondContact O-CG 3.19Å; Q194-E197 PolarHBondContact O-N 2.8Å; Q194-E197 VanDerWaalsContact O-N 3.14Å; Q194-A218 WeakPolarHBondContact O-CB 3.4Å
195	G	77.9	Confident	91.7	Very high	54 Å²	54	36.3 Å²	36.3	56%	0.557	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	126	-178	0	0	0	0	0	112.2
196	G	81.6	Confident	91.6	Very high	66 Å²	66	38.9 Å²	38.9	68%	0.68	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	99.6	-12.5	-179.5	0	0	0	0	0	114.6	Q194	Q194-G196 PolarHBondContact O-N 2.87Å
197	E	89.4	Confident	91.6	Very high	20 Å²	20	37.1 Å²	37.1	9%	0.093	23%	0.229	C	C	.	.			trans	-72	144.7	174.3	-62.7	-175.4	139.2	0	0	112.2	R161 Q194 Y199 A218	R161-E197 IonicContact CZ-OE1 3.95Å; R161-E197 IonicContact NE-OE1 3.68Å; R161-E197 PolarHBondContact NE-OE1 2.8Å; R161-E197 IonicContact NH2-OE1 3.63Å; R161-E197 PolarHBondContact NH2-OE1 2.8Å; R161-E197 IonicContact NH2-OE2 2.65Å; Q194-E197 HydrophobicContact CB-CG 4.17Å; Q194-E197 PolarHBondContact N-OE2 3.3Å; Q194-E197 WeakPolarHBondContact O-CB 3.07Å; Q194-E197 WeakPolarHBondContact O-CG 3.19Å; Q194-E197 PolarHBondContact O-N 2.8Å; Q194-E197 VanDerWaalsContact O-N 3.14Å; E197-Y199 HydrophobicContact CB-CD2 4.36Å; E197-Y199 HydrophobicContact CB-CE2 3.67Å; E197-Y199 PolarHBondContact OE2-OH 3.05Å; E197-A218 PolarHBondContact O-N 2.96Å
198	V	92.9	Very high	91.6	Very high	22 Å²	22	38.3 Å²	38.3	13%	0.133	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.6	176.2	-171.2	0	0	0	0	108.7	N162 E215 R217	N162-V198 PolarHBondContact N-O 2.78Å; N162-V198 PolarHBondContact OD1-N 2.84Å; V198-E215 HydrophobicContact CG1-CB 4.28Å; V198-E215 HydrophobicContact CG1-CG 4.3Å; V198-R217 HydrophobicContact CG1-CG 4.32Å; V198-R217 HydrophobicContact CG2-CG 4.21Å; V198-R217 VanDerWaalsContact CG2-NH1 3.29Å
199	Y	94.9	Very high	91.6	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.5	175.1	-65.4	-93.9	0	0	0	108.7	L143 F160 R161 L189 T191 P193 E197 E215 W216	L143-Y199 VanDerWaalsContact CD2-CB 3.46Å; L143-Y199 HydrophobicContact CD2-CD1 4.22Å; L143-Y199 HydrophobicContact CD2-CD2 4.44Å; L143-Y199 HydrophobicContact CD2-CG 3.8Å; F160-Y199 CarbonylContact O-C 3.6Å; F160-Y199 WeakPolarHBondContact O-CA 3.38Å; R161-Y199 HydrophobicContact CB-CD1 4.34Å; R161-Y199 HydrophobicContact CB-CE1 4.26Å; R161-Y199 HydrophobicContact CG-CD1 4.3Å; R161-Y199 HydrophobicContact CG-CE1 3.85Å; L189-Y199 HydrophobicContact CD2-CD1 3.68Å; L189-Y199 HydrophobicContact CD2-CE1 3.92Å; T191-Y199 HydrophobicContact CG2-CD1 4.43Å; T191-Y199 HydrophobicContact CG2-CE1 3.74Å; T191-Y199 PolarHBondContact OG1-OH 2.86Å; P193-Y199 HydrophobicContact CB-CE2 4.03Å; E197-Y199 HydrophobicContact CB-CD2 4.36Å; E197-Y199 HydrophobicContact CB-CE2 3.67Å; E197-Y199 PolarHBondContact OE2-OH 3.05Å; Y199-E215 CarbonylContact O-C 3.44Å; Y199-E215 WeakPolarHBondContact O-CA 3.49Å; Y199-W216 AromaticContact CD2-CE3 3.83Å; Y199-W216 HydrophobicContact CD2-CE3 3.83Å; Y199-W216 AromaticContact CD2-CZ3 3.93Å; Y199-W216 HydrophobicContact CD2-CZ3 3.93Å; Y199-W216 HydrophobicContact CE2-CZ3 4.3Å; Y199-W216 HydrophobicContact CG-CE3 4.43Å; Y199-W216 PolarHBondContact N-O 3.4Å; Y199-W216 PolarHBondContact O-N 3.36Å
200	T	97.6	Very high	91.8	Very high	16 Å²	16	47 Å²	47	10%	0.098	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	124.7	-177.8	-54.6	0	0	0	0	110	W159 F160 R213 V214 E215	W159-T200 CarbonylContact C-O 3.59Å; F160-T200 PolarHBondContact N-O 3.15Å; F160-T200 PolarHBondContact O-N 3.12Å; T200-R213 HydrophobicContact CG2-CB 3.84Å; T200-R213 HydrophobicContact CG2-CG 4.21Å; T200-V214 WeakPolarHBondContact CA-O 3.38Å; T200-E215 HydrophobicContact CG2-CG 4.42Å
201	C	98.1	Very high	92.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	117.6	166.3	-176.9	0	0	0	0	108.7	V129 C145 W159 R213 V214	V129-C201 HydrophobicContact CG2-CB 3.66Å; C145-C201 HydrophobicContact CB-CB 3.66Å; C145-C201 WeakPolarHBondContact CB-SG 3.47Å; C145-C201 WeakPolarHBondContact SG-CB 3.41Å; C145-C201 CovalentContact SG-SG 2.03Å; C145-C201 PolarHBondContact SG-SG 3.47Å; W159-C201 HydrophobicContact CE3-CB 4.28Å; W159-C201 HydrophobicContact CH2-CB 4.12Å; W159-C201 HydrophobicContact CZ3-CB 3.99Å; C201-R213 WeakPolarHBondContact O-CA 3.36Å; C201-V214 PolarHBondContact N-O 3.46Å; C201-V214 PolarHBondContact O-N 2.97Å
202	Q	98.6	Very high	92.6	Very high	7 Å²	7	46.6 Å²	46.6	3%	0.033	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.5	173.9	-178.1	172.5	-58.7	0	0	109.5	I157 R158 F160 E204 P211 V212 R213	I157-Q202 WeakPolarHBondContact CA-O 3.44Å; R158-Q202 PolarHBondContact N-O 3.29Å; R158-Q202 PolarHBondContact O-N 3.11Å; F160-Q202 HydrophobicContact CD2-CB 4.08Å; F160-Q202 HydrophobicContact CE2-CB 3.69Å; F160-Q202 HydrophobicContact CE2-CG 4.44Å; Q202-E204 PolarHBondContact NE2-OE1 3.29Å; Q202-P211 HydrophobicContact CG-CB 3.77Å; Q202-V212 CarbonylContact C-O 3.59Å; Q202-V212 VanDerWaalsContact CA-O 3.3Å; Q202-V212 WeakPolarHBondContact CA-O 3.4Å; Q202-R213 HydrophobicContact CB-CG 4.24Å; Q202-R213 HydrophobicContact CG-CG 4.11Å; Q202-R213 VanDerWaalsContact OE1-CZ 3.28Å
203	V	98.6	Very high	93.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	125.1	179.9	-178.8	0	0	0	0	109.9	P125 V127 V147 I155 I157 P211 V212	P125-V203 HydrophobicContact CB-CG1 4.42Å; P125-V203 HydrophobicContact CG-CG1 3.98Å; V127-V203 HydrophobicContact CB-CG2 4.48Å; V127-V203 HydrophobicContact CG1-CG2 3.91Å; V127-V203 HydrophobicContact CG2-CB 4.06Å; V127-V203 HydrophobicContact CG2-CG1 4.38Å; V127-V203 HydrophobicContact CG2-CG2 3.67Å; V147-V203 HydrophobicContact CG1-CG1 4.22Å; V147-V203 HydrophobicContact CG2-CG2 3.91Å; I155-V203 HydrophobicContact CD1-CG1 3.72Å; I155-V203 HydrophobicContact CG1-CG1 4.01Å; I157-V203 HydrophobicContact CG1-CG1 4.34Å; I157-V203 HydrophobicContact CG1-CG2 4.25Å; I157-V203 HydrophobicContact CG2-CG2 4.27Å; V203-P211 WeakPolarHBondContact O-CA 3.39Å; V203-V212 PolarHBondContact N-O 2.86Å; V203-V212 PolarHBondContact O-N 3.31Å
204	E	98.6	Very high	94.2	Very high	62 Å²	62	49.7 Å²	49.7	29%	0.29	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.6	174.2	-73	178.7	-136.2	0	0	109.5	I155 E156 R158 Q202 P211	I155-E204 WeakPolarHBondContact CG1-O 3.36Å; E156-E204 HydrophobicContact CB-CB 4.19Å; E156-E204 PolarHBondContact N-O 3.46Å; E156-E204 PolarHBondContact O-N 2.85Å; R158-E204 IonicContact CZ-OE1 2.64Å; R158-E204 IonicContact NE-OE1 2.82Å; R158-E204 IonicContact NH2-OE1 3.86Å; R158-E204 PolarHBondContact NH2-OE1 2.88Å; Q202-E204 PolarHBondContact NE2-OE1 3.29Å; E204-P211 HydrophobicContact CG-CB 3.73Å; E204-P211 HydrophobicContact CG-CG 3.77Å
205	H	98.1	Very high	95.1	Very high	12 Å²	12	48.8 Å²	48.8	6%	0.056	29%	0.293	C	S	.	.			trans	-152.9	142.3	-174	-178.7	-105.2	0	0	0	110.2	A123 P125 F150 Y151 P152 T154 I155 S207 L208	A123-H205 PolarHBondContact O-CE1 2.92Å; P125-H205 HydrophobicContact CG-CB 4.17Å; F150-H205 AromaticContact CD2-CD2 3.95Å; F150-H205 AromaticContact CD2-NE2 3.78Å; Y151-H205 VanDerWaalsContact C-CE1 3.44Å; Y151-H205 PolarHBondContact O-CE1 3Å; P152-H205 PolarHBondContact O-NE2 3.45Å; T154-H205 PolarHBondContact O-CD2 2.93Å; T154-H205 VanDerWaalsContact O-CD2 3.31Å; I155-H205 HydrophobicContact CD1-CB 4.38Å; I155-H205 HydrophobicContact CG1-CB 4.17Å; H205-S207 PolarHBondContact CE1-OG 2.76Å; H205-S207 VanDerWaalsContact ND1-CB 3.31Å; H205-S207 WeakPolarHBondContact ND1-CB 3.47Å; H205-S207 PolarHBondContact ND1-N 3.47Å; H205-S207 PolarHBondContact ND1-OG 2.82Å; H205-S207 PolarHBondContact O-N 3.26Å; H205-L208 HydrophobicContact CB-CD1 3.96Å; H205-L208 HydrophobicContact CB-CG 4.21Å; H205-L208 WeakPolarHBondContact O-CB 3.43Å; H205-L208 PolarHBondContact O-N 3.31Å
206	P	95.9	Very high	95.8	Very high	65 Å²	65	48.7 Å²	48.7	42%	0.422	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-12	-176.3	-27.9	36.5	0	0	0	116.8	K122 P152 T154	K122-P206 PolarHBondContact NZ-O 2.98Å; P152-P206 HydrophobicContact CG-CG 4.35Å; T154-P206 WeakPolarHBondContact O-CD 3.46Å
207	S	96.2	Very high	96.2	Very high	18 Å²	18	52.8 Å²	52.8	13%	0.126	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-9	173.5	79.3	0	0	0	0	113.8	A123 K124 H205	A123-S207 PolarHBondContact O-OG 2.98Å; K124-S207 VanDerWaalsContact CA-OG 3.29Å; K124-S207 WeakPolarHBondContact CA-OG 3.05Å; K124-S207 WeakPolarHBondContact CE-O 3.21Å; K124-S207 WeakPolarHBondContact CG-OG 3.06Å; H205-S207 PolarHBondContact CE1-OG 2.76Å; H205-S207 VanDerWaalsContact ND1-CB 3.31Å; H205-S207 WeakPolarHBondContact ND1-CB 3.47Å; H205-S207 PolarHBondContact ND1-N 3.47Å; H205-S207 PolarHBondContact ND1-OG 2.82Å; H205-S207 PolarHBondContact O-N 3.26Å
208	L	97.1	Very high	95.8	Very high	33 Å²	33	52.3 Å²	52.3	17%	0.173	27%	0.271	C	S	.	.			trans	-103.7	138.2	-176.3	-60.7	173.9	0	0	0	109.5	K124 P125 H205 S210 V212	K124-L208 HydrophobicContact CB-CD2 4.28Å; K124-L208 HydrophobicContact CD-CD2 4.21Å; K124-L208 HydrophobicContact CG-CD2 4.07Å; P125-L208 HydrophobicContact CG-CD1 3.87Å; P125-L208 HydrophobicContact CG-CG 4.38Å; H205-L208 HydrophobicContact CB-CD1 3.96Å; H205-L208 HydrophobicContact CB-CG 4.21Å; H205-L208 WeakPolarHBondContact O-CB 3.43Å; H205-L208 PolarHBondContact O-N 3.31Å; L208-S210 WeakPolarHBondContact CB-O 3.44Å; L208-V212 HydrophobicContact CD1-CB 4.29Å; L208-V212 HydrophobicContact CD1-CG2 3.71Å; L208-V212 HydrophobicContact CD2-CG2 3.92Å; L208-V212 HydrophobicContact CG-CG2 4.44Å
209	T	96.4	Very high	94.7	Very high	151 Å²	151	61.7 Å²	61.7	93%	0.926	30%	0.304	S	S	*	.	S	Bend	trans	-81.5	-21.4	174.1	49.1	0	0	0	0	112.6
210	S	97.1	Very high	92.9	Very high	76 Å²	76	64 Å²	64	53%	0.531	32%	0.32	S	S	.	.	S	Bend	trans	-148.4	155.8	176.1	56	0	0	0	0	109.5	L208 V212	L208-S210 WeakPolarHBondContact CB-O 3.44Å; S210-V212 PolarHBondContact O-N 2.88Å
211	P	97.6	Very high	90.9	Very high	56 Å²	56	68.4 Å²	68.4	36%	0.364	35%	0.347	S	S	.	.			trans	-60.4	136.4	-179.7	-20.1	30.6	0	0	0	111.9	Q202 V203 E204	Q202-P211 HydrophobicContact CG-CB 3.77Å; V203-P211 WeakPolarHBondContact O-CA 3.39Å; E204-P211 HydrophobicContact CG-CB 3.73Å; E204-P211 HydrophobicContact CG-CG 3.77Å
212	V	98.1	Very high	88.8	Confident	47 Å²	47	70.7 Å²	70.7	29%	0.285	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	129.9	171.8	168.7	0	0	0	0	108.5	V127 Q202 V203 L208 S210 V214	V127-V212 HydrophobicContact CB-CG1 4.29Å; V127-V212 HydrophobicContact CG2-CG1 3.95Å; Q202-V212 CarbonylContact C-O 3.59Å; Q202-V212 VanDerWaalsContact CA-O 3.3Å; Q202-V212 WeakPolarHBondContact CA-O 3.4Å; V203-V212 PolarHBondContact N-O 2.86Å; V203-V212 PolarHBondContact O-N 3.31Å; L208-V212 HydrophobicContact CD1-CB 4.29Å; L208-V212 HydrophobicContact CD1-CG2 3.71Å; L208-V212 HydrophobicContact CD2-CG2 3.92Å; L208-V212 HydrophobicContact CG-CG2 4.44Å; S210-V212 PolarHBondContact O-N 2.88Å; V212-V214 HydrophobicContact CG1-CG2 4.2Å
213	R	97.9	Very high	86.6	Confident	168 Å²	168	72.7 Å²	72.7	63%	0.634	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.8	177.1	-69.1	-180	176.2	170.2	0.1	110	T200 C201 Q202	T200-R213 HydrophobicContact CG2-CB 3.84Å; T200-R213 HydrophobicContact CG2-CG 4.21Å; C201-R213 WeakPolarHBondContact O-CA 3.36Å; Q202-R213 HydrophobicContact CB-CG 4.24Å; Q202-R213 HydrophobicContact CG-CG 4.11Å; Q202-R213 VanDerWaalsContact OE1-CZ 3.28Å
214	V	97.8	Very high	84.6	Confident	37 Å²	37	79 Å²	79	22%	0.224	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	115.6	175.3	179.9	0	0	0	0	108.7	V127 V129 T200 C201 V212	V127-V214 HydrophobicContact CB-CG2 3.8Å; V127-V214 HydrophobicContact CG1-CB 4.16Å; V127-V214 HydrophobicContact CG1-CG2 3.61Å; V129-V214 HydrophobicContact CB-CG1 4.08Å; V129-V214 HydrophobicContact CG2-CB 3.97Å; V129-V214 HydrophobicContact CG2-CG1 3.7Å; T200-V214 WeakPolarHBondContact CA-O 3.38Å; C201-V214 PolarHBondContact N-O 3.46Å; C201-V214 PolarHBondContact O-N 2.97Å; V212-V214 HydrophobicContact CG1-CG2 4.2Å
215	E	96.3	Very high	82.7	Confident	114 Å²	114	81.4 Å²	81.4	53%	0.533	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	143.7	177.3	-62.2	-169.7	175.2	0	0	111.6	V198 Y199 T200 R217	V198-E215 HydrophobicContact CG1-CB 4.28Å; V198-E215 HydrophobicContact CG1-CG 4.3Å; Y199-E215 CarbonylContact O-C 3.44Å; Y199-E215 WeakPolarHBondContact O-CA 3.49Å; T200-E215 HydrophobicContact CG2-CG 4.42Å; E215-R217 IonicContact OE2-CZ 3.22Å; E215-R217 IonicContact OE2-NE 3.67Å; E215-R217 IonicContact OE2-NH2 3.86Å; E215-R217 PolarHBondContact OE2-NH2 2.63Å
216	W	93.8	Very high	81	Confident	51 Å²	51	87.9 Å²	87.9	19%	0.193	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133	168.6	-177.6	93	0	0	0	109.4	V129 P131 L143 P193 Y199 A218	V129-W216 HydrophobicContact CB-CB 4.25Å; V129-W216 HydrophobicContact CG1-CB 3.49Å; V129-W216 VanDerWaalsContact CG1-CB 3.49Å; V129-W216 HydrophobicContact CG1-CG 3.95Å; P131-W216 HydrophobicContact CB-CZ2 4.36Å; P131-W216 HydrophobicContact CG-CZ2 4.18Å; L143-W216 HydrophobicContact CD1-CD2 3.55Å; L143-W216 HydrophobicContact CD1-CE3 3.77Å; L143-W216 HydrophobicContact CD1-CG 3.88Å; L143-W216 HydrophobicContact CD1-CH2 4.46Å; L143-W216 HydrophobicContact CD1-CZ2 4.28Å; L143-W216 HydrophobicContact CD1-CZ3 4.22Å; L143-W216 HydrophobicContact CD2-CB 4.45Å; L143-W216 HydrophobicContact CD2-CD2 4.3Å; L143-W216 HydrophobicContact CD2-CE3 3.92Å; P193-W216 HydrophobicContact CB-CH2 3.77Å; P193-W216 HydrophobicContact CB-CZ3 3.65Å; P193-W216 HydrophobicContact CG-CH2 3.74Å; P193-W216 HydrophobicContact CG-CZ3 3.82Å; Y199-W216 AromaticContact CD2-CE3 3.83Å; Y199-W216 HydrophobicContact CD2-CE3 3.83Å; Y199-W216 AromaticContact CD2-CZ3 3.93Å; Y199-W216 HydrophobicContact CD2-CZ3 3.93Å; Y199-W216 HydrophobicContact CE2-CZ3 4.3Å; Y199-W216 HydrophobicContact CG-CE3 4.43Å; Y199-W216 PolarHBondContact N-O 3.4Å; Y199-W216 PolarHBondContact O-N 3.36Å; W216-A218 HydrophobicContact CH2-CB 4.17Å; W216-A218 HydrophobicContact CZ3-CB 3.94Å
217	R	90.1	Very high	79.3	Confident	153 Å²	153	91.9 Å²	91.9	58%	0.577	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	130.3	-176.7	-64	-176.4	-178.2	-104.7	-8.3	110.4	V198 E215 R219	V198-R217 HydrophobicContact CG1-CG 4.32Å; V198-R217 HydrophobicContact CG2-CG 4.21Å; V198-R217 VanDerWaalsContact CG2-NH1 3.29Å; E215-R217 IonicContact OE2-CZ 3.22Å; E215-R217 IonicContact OE2-NE 3.67Å; E215-R217 IonicContact OE2-NH2 3.86Å; E215-R217 PolarHBondContact OE2-NH2 2.63Å; R217-R219 PolarHBondContact O-N 2.57Å; R217-R219 VanDerWaalsContact O-N 3.13Å
218	A	80.9	Confident	77.8	Confident	10 Å²	10	97.2 Å²	97.2	8%	0.083	49%	0.494	C	S	.	.			trans	-66.1	112.3	173	0	0	0	0	0	109.6	P193 Q194 E197 W216 S220	P193-A218 HydrophobicContact CB-CB 3.57Å; Q194-A218 WeakPolarHBondContact O-CB 3.4Å; E197-A218 PolarHBondContact O-N 2.96Å; W216-A218 HydrophobicContact CH2-CB 4.17Å; W216-A218 HydrophobicContact CZ3-CB 3.94Å; A218-S220 PolarHBondContact O-N 2.03Å
219	R	69.3	Low	76.6	Confident	218 Å²	218	99.8 Å²	99.8	82%	0.823	52%	0.515	S	S	*	.			trans	-76.8	125.7	179	-151.1	171.2	-157.2	164.2	5.3	109.1	R217 T221	R217-R219 PolarHBondContact O-N 2.57Å; R217-R219 VanDerWaalsContact O-N 3.13Å; R219-T221 PolarHBondContact O-N 3.16Å
220	S	57.1	Low	75.5	Confident	50 Å²	50	94.5 Å²	94.5	35%	0.35	49%	0.491	S	S	.	.			trans	-65.4	123	174.8	178.2	0	0	0	0	110.5	A218 S222 A223 Q224	A218-S220 PolarHBondContact O-N 2.03Å; S220-S222 PolarHBondContact O-N 3.04Å; S220-S222 WeakPolarHBondContact OG-CB 3.28Å; S220-S222 PolarHBondContact OG-N 3.25Å; S220-A223 WeakPolarHBondContact O-CB 3.31Å; S220-A223 PolarHBondContact O-N 3.22Å; S220-Q224 PolarHBondContact O-N 2.94Å
221	T	55.5	Low	74.7	Confident	109 Å²	109	93.8 Å²	93.8	67%	0.669	49%	0.489	S	S	*	.	H	α-helix	trans	-56.4	-29.7	168.2	46.2	0	0	0	0	111.7	R219 A223 Q224 N225	R219-T221 PolarHBondContact O-N 3.16Å; T221-A223 PolarHBondContact O-N 2.73Å; T221-Q224 PolarHBondContact O-N 3.41Å; T221-N225 PolarHBondContact O-N 2.98Å; T221-N225 VanDerWaalsContact O-N 3.09Å
222	S	53.7	Low	73.6	Confident	48 Å²	48	97.8 Å²	97.8	34%	0.336	51%	0.505	S	S	.	.	H	α-helix	trans	-65.1	-35.9	173.8	176.8	0	0	0	0	112.7	S220 K226	S220-S222 PolarHBondContact O-N 3.04Å; S220-S222 WeakPolarHBondContact OG-CB 3.28Å; S220-S222 PolarHBondContact OG-N 3.25Å; S222-K226 WeakPolarHBondContact O-CB 3.41Å; S222-K226 WeakPolarHBondContact O-CG 3.29Å; S222-K226 PolarHBondContact O-N 2.85Å; S222-K226 WeakPolarHBondContact OG-CE 3.19Å; S222-K226 PolarHBondContact OG-NZ 3.08Å
223	A	52.8	Low	73	Confident	49 Å²	49	97.8 Å²	97.8	41%	0.405	51%	0.514	S	S	.	.	H	α-helix	trans	-68.5	-38.4	178.9	0	0	0	0	0	111.5	S220 T221 M227	S220-A223 WeakPolarHBondContact O-CB 3.31Å; S220-A223 PolarHBondContact O-N 3.22Å; T221-A223 PolarHBondContact O-N 2.73Å; A223-M227 WeakPolarHBondContact O-CG 3.48Å; A223-M227 PolarHBondContact O-N 3.1Å
224	Q	56.6	Low	72.5	Confident	131 Å²	131	96.1 Å²	96.1	61%	0.612	52%	0.515	S	S	*	.	H	α-helix	trans	-68.1	-43.4	177.1	-167.6	171.9	-14.2	0	0	111.8	S220 T221 M227 L228	S220-Q224 PolarHBondContact O-N 2.94Å; T221-Q224 PolarHBondContact O-N 3.41Å; Q224-M227 PolarHBondContact O-N 2.75Å; Q224-L228 PolarHBondContact O-N 3.47Å; Q224-L228 VanDerWaalsContact O-N 3.12Å
225	N	59.1	Low	72.1	Confident	113 Å²	113	97.3 Å²	97.3	60%	0.604	53%	0.529	S	S	*	.	H	α-helix	trans	-69.9	-34.9	176.7	-73.3	-5.7	0	0	0	112.8	T221 L228 S229	T221-N225 PolarHBondContact O-N 2.98Å; T221-N225 VanDerWaalsContact O-N 3.09Å; N225-L228 PolarHBondContact O-N 3.27Å; N225-S229 WeakPolarHBondContact O-CB 3.22Å; N225-S229 PolarHBondContact O-N 2.98Å
226	K	62.1	Low	71.9	Confident	148 Å²	148	97 Å²	97	64%	0.643	53%	0.53	S	S	*	.	H	α-helix	trans	-68.8	-39	175.1	-76.9	173.4	178.2	171.3	0	112.3	S222 G230	S222-K226 WeakPolarHBondContact O-CB 3.41Å; S222-K226 WeakPolarHBondContact O-CG 3.29Å; S222-K226 PolarHBondContact O-N 2.85Å; S222-K226 WeakPolarHBondContact OG-CE 3.19Å; S222-K226 PolarHBondContact OG-NZ 3.08Å; K226-G230 PolarHBondContact O-N 3.16Å
227	M	60	Low	71.9	Confident	149 Å²	149	96.1 Å²	96.1	73%	0.734	54%	0.537	S	S	*	.	H	α-helix	trans	-64.7	-39.7	173.4	-77.5	-174.8	79.1	0	0	112	A223 Q224 G230 A231	A223-M227 WeakPolarHBondContact O-CG 3.48Å; A223-M227 PolarHBondContact O-N 3.1Å; Q224-M227 PolarHBondContact O-N 2.75Å; M227-G230 PolarHBondContact O-N 3.09Å; M227-A231 WeakPolarHBondContact O-CB 3.43Å; M227-A231 PolarHBondContact O-N 2.8Å
228	L	63.9	Low	72.1	Confident	130 Å²	130	94.2 Å²	94.2	68%	0.681	54%	0.538	S	S	*	.	H	α-helix	trans	-67.7	-42.8	179	-148.2	80.7	0	0	0	112	Q224 N225 M232	Q224-L228 PolarHBondContact O-N 3.47Å; Q224-L228 VanDerWaalsContact O-N 3.12Å; N225-L228 PolarHBondContact O-N 3.27Å; L228-M232 WeakPolarHBondContact O-CB 3.26Å; L228-M232 PolarHBondContact O-N 3.21Å; L228-M232 VanDerWaalsContact O-N 3.11Å
229	S	72.4	Confident	72.7	Confident	87 Å²	87	100.7 Å²	100.7	61%	0.608	56%	0.564	S	S	*	*	H	α-helix	trans	-65.9	-37.9	174.4	-176.9	0	0	0	0	112.3	N225 G233	N225-S229 WeakPolarHBondContact O-CB 3.22Å; N225-S229 PolarHBondContact O-N 2.98Å; S229-G233 PolarHBondContact O-N 2.87Å
230	G	73.6	Confident	73.9	Confident	40 Å²	40	95.6 Å²	95.6	41%	0.412	55%	0.552	S	S	.	*	H	α-helix	trans	-67.5	-42.2	178	0	0	0	0	0	112.8	K226 M227 G233 M234	K226-G230 PolarHBondContact O-N 3.16Å; M227-G230 PolarHBondContact O-N 3.09Å; G230-G233 PolarHBondContact O-N 2.87Å; G230-M234 WeakPolarHBondContact O-CB 3.41Å; G230-M234 PolarHBondContact O-N 3.04Å
231	A	79.7	Confident	75.6	Confident	61 Å²	61	99 Å²	99	50%	0.504	57%	0.566	S	S	.	*	H	α-helix	trans	-65	-40.2	176	0	0	0	0	0	112	M227 M234 A235	M227-A231 WeakPolarHBondContact O-CB 3.43Å; M227-A231 PolarHBondContact O-N 2.8Å; A231-M234 PolarHBondContact O-N 3.4Å; A231-A235 WeakPolarHBondContact O-CB 3.45Å; A231-A235 PolarHBondContact O-N 3.25Å
232	M	75.7	Confident	77.4	Confident	141 Å²	141	96.7 Å²	96.7	70%	0.695	56%	0.557	S	S	*	*	H	α-helix	trans	-66.5	-39.1	177	-169.6	162	150.4	0	0	112.1	L228 L236	L228-M232 WeakPolarHBondContact O-CB 3.26Å; L228-M232 PolarHBondContact O-N 3.21Å; L228-M232 VanDerWaalsContact O-N 3.11Å; M232-L236 PolarHBondContact O-N 3.29Å; M232-L236 VanDerWaalsContact O-N 3.15Å
233	G	84.8	Confident	79.3	Confident	46 Å²	46	97.3 Å²	97.3	47%	0.474	56%	0.559	S	S	.	*	H	α-helix	trans	-66.9	-40.3	173.9	0	0	0	0	0	113.5	S229 G230 L236 G237	S229-G233 PolarHBondContact O-N 2.87Å; G230-G233 PolarHBondContact O-N 2.87Å; G233-L236 PolarHBondContact O-N 2.95Å; G233-G237 PolarHBondContact O-N 3.26Å
234	M	87.4	Confident	81.2	Confident	134 Å²	134	96.8 Å²	96.8	66%	0.66	56%	0.559	S	S	*	*	H	α-helix	trans	-67.5	-41.1	178.7	-162.7	179.3	-63.6	0	0	111.9	G230 A231 G237 L238	G230-M234 WeakPolarHBondContact O-CB 3.41Å; G230-M234 PolarHBondContact O-N 3.04Å; A231-M234 PolarHBondContact O-N 3.4Å; M234-G237 PolarHBondContact O-N 3.48Å; M234-L238 WeakPolarHBondContact O-CG 3.5Å; M234-L238 PolarHBondContact O-N 2.91Å
235	A	89.9	Confident	82.9	Confident	61 Å²	61	95.5 Å²	95.5	50%	0.504	56%	0.556	S	S	.	*	H	α-helix	trans	-62	-42.6	174.5	0	0	0	0	0	112	A231 L238 F239	A231-A235 WeakPolarHBondContact O-CB 3.45Å; A231-A235 PolarHBondContact O-N 3.25Å; A235-L238 PolarHBondContact O-N 3.25Å; A235-F239 PolarHBondContact O-N 2.64Å; A235-F239 VanDerWaalsContact O-N 3.08Å
236	L	92.4	Very high	84.4	Confident	109 Å²	109	96.7 Å²	96.7	57%	0.571	56%	0.555	S	S	*	*	H	α-helix	trans	-62.6	-44.3	175.9	-125.8	93	0	0	0	111.9	M232 G233 F239 I240	M232-L236 PolarHBondContact O-N 3.29Å; M232-L236 VanDerWaalsContact O-N 3.15Å; G233-L236 PolarHBondContact O-N 2.95Å; L236-F239 PolarHBondContact O-N 3.4Å; L236-I240 WeakPolarHBondContact O-CG1 3.48Å; L236-I240 PolarHBondContact O-N 3.26Å; L236-I240 VanDerWaalsContact O-N 3.07Å
237	G	92	Very high	85.7	Confident	32 Å²	32	94 Å²	94	33%	0.33	55%	0.547	S	S	.	.	H	α-helix	trans	-62.9	-43.1	179.1	0	0	0	0	0	113	G233 M234 F239 I240 L241	G233-G237 PolarHBondContact O-N 3.26Å; M234-G237 PolarHBondContact O-N 3.48Å; G237-F239 VanDerWaalsContact C-N 3.34Å; G237-F239 PolarHBondContact O-N 3.23Å; G237-I240 PolarHBondContact O-N 2.99Å; G237-L241 WeakPolarHBondContact O-CG 3.37Å; G237-L241 PolarHBondContact O-N 3.42Å
238	L	94.5	Very high	87.1	Confident	113 Å²	113	93.7 Å²	93.7	59%	0.592	54%	0.539	S	S	*	.	H	α-helix	trans	-64.4	-38.1	175.9	-71.9	172.7	0	0	0	112.2	M234 A235 L241 A242	M234-L238 WeakPolarHBondContact O-CG 3.5Å; M234-L238 PolarHBondContact O-N 2.91Å; A235-L238 PolarHBondContact O-N 3.25Å; L238-L241 PolarHBondContact O-N 3.29Å; L238-A242 WeakPolarHBondContact O-CB 3.35Å; L238-A242 PolarHBondContact O-N 2.76Å
239	F	94	Very high	88	Confident	145 Å²	145	91.3 Å²	91.3	64%	0.636	53%	0.527	S	S	*	.	H	α-helix	trans	-63	-46.3	176.2	-175.9	-99.3	0	0	0	111.7	A235 L236 G237 L241 A242 V243	A235-F239 PolarHBondContact O-N 2.64Å; A235-F239 VanDerWaalsContact O-N 3.08Å; L236-F239 PolarHBondContact O-N 3.4Å; G237-F239 VanDerWaalsContact C-N 3.34Å; G237-F239 PolarHBondContact O-N 3.23Å; F239-L241 PolarHBondContact O-N 2.91Å; F239-A242 PolarHBondContact O-N 2.99Å; F239-V243 HydrophobicContact CD1-CG2 4.32Å; F239-V243 HydrophobicContact CE1-CG2 3.96Å; F239-V243 HydrophobicContact CE2-CG2 4.47Å; F239-V243 HydrophobicContact CZ-CG2 4.05Å; F239-V243 WeakPolarHBondContact O-CG2 3.43Å; F239-V243 PolarHBondContact O-N 3.39Å
240	I	93.8	Very high	88.5	Confident	111 Å²	111	95.5 Å²	95.5	57%	0.569	53%	0.529	S	S	*	.	H	α-helix	trans	-62.4	-42.8	178.2	-66.1	166.1	0	0	0	111	L236 G237 V243 G244	L236-I240 WeakPolarHBondContact O-CG1 3.48Å; L236-I240 PolarHBondContact O-N 3.26Å; L236-I240 VanDerWaalsContact O-N 3.07Å; G237-I240 PolarHBondContact O-N 2.99Å; I240-V243 PolarHBondContact O-N 2.98Å; I240-G244 PolarHBondContact O-N 3.5Å
241	L	94.1	Very high	88.7	Confident	123 Å²	123	98.7 Å²	98.7	64%	0.644	54%	0.537	S	S	*	.	H	α-helix	trans	-62.7	-43.3	176.6	-78.6	168.9	0	0	0	112.4	G237 L238 F239 G244 L245	G237-L241 WeakPolarHBondContact O-CG 3.37Å; G237-L241 PolarHBondContact O-N 3.42Å; L238-L241 PolarHBondContact O-N 3.29Å; F239-L241 PolarHBondContact O-N 2.91Å; L241-G244 PolarHBondContact O-N 3.35Å; L241-L245 VanDerWaalsContact O-CB 3.32Å; L241-L245 WeakPolarHBondContact O-CB 3.49Å; L241-L245 PolarHBondContact O-N 3.33Å
242	A	92.9	Very high	88.3	Confident	59 Å²	59	100.2 Å²	100.2	49%	0.488	54%	0.536	S	S	.	.	H	α-helix	trans	-63	-43.8	177.9	0	0	0	0	0	111.8	L238 F239 L245 F246	L238-A242 WeakPolarHBondContact O-CB 3.35Å; L238-A242 PolarHBondContact O-N 2.76Å; F239-A242 PolarHBondContact O-N 2.99Å; A242-L245 PolarHBondContact O-N 2.89Å; A242-F246 WeakPolarHBondContact O-CB 3.43Å; A242-F246 PolarHBondContact O-N 3.49Å
243	V	94.3	Very high	87.7	Confident	61 Å²	61	102.7 Å²	102.7	37%	0.37	54%	0.537	S	S	.	.	H	α-helix	trans	-64.3	-45.5	176.1	174	0	0	0	0	110.9	F239 I240 L245 F246 I247	F239-V243 HydrophobicContact CD1-CG2 4.32Å; F239-V243 HydrophobicContact CE1-CG2 3.96Å; F239-V243 HydrophobicContact CE2-CG2 4.47Å; F239-V243 HydrophobicContact CZ-CG2 4.05Å; F239-V243 WeakPolarHBondContact O-CG2 3.43Å; F239-V243 PolarHBondContact O-N 3.39Å; I240-V243 PolarHBondContact O-N 2.98Å; V243-L245 PolarHBondContact O-N 3.2Å; V243-F246 WeakPolarHBondContact O-CB 3.45Å; V243-F246 PolarHBondContact O-N 3.28Å; V243-I247 HydrophobicContact CG1-CD1 3.92Å; V243-I247 HydrophobicContact CG1-CG1 4.49Å; V243-I247 WeakPolarHBondContact O-CG1 3.27Å; V243-I247 PolarHBondContact O-N 3.16Å
244	G	92.3	Very high	86.4	Confident	39 Å²	39	103.7 Å²	103.7	40%	0.402	54%	0.541	S	S	.	.	H	α-helix	trans	-59.8	-45	177.2	0	0	0	0	0	112.6	I240 L241 F246 I247 Y248	I240-G244 PolarHBondContact O-N 3.5Å; L241-G244 PolarHBondContact O-N 3.35Å; G244-F246 VanDerWaalsContact C-N 3.34Å; G244-F246 PolarHBondContact O-N 3.39Å; G244-I247 PolarHBondContact O-N 2.85Å; G244-Y248 WeakPolarHBondContact O-CB 3.42Å; G244-Y248 PolarHBondContact O-N 3.39Å
245	L	92.3	Very high	84.8	Confident	104 Å²	104	99.6 Å²	99.6	55%	0.545	53%	0.534	S	S	.	.	H	α-helix	trans	-63.7	-39.9	176.1	-174	67.1	0	0	0	111.7	L241 A242 V243 Y248 L249	L241-L245 VanDerWaalsContact O-CB 3.32Å; L241-L245 WeakPolarHBondContact O-CB 3.49Å; L241-L245 PolarHBondContact O-N 3.33Å; A242-L245 PolarHBondContact O-N 2.89Å; V243-L245 PolarHBondContact O-N 3.2Å; L245-Y248 PolarHBondContact O-N 2.88Å; L245-L249 HydrophobicContact CD1-CD1 4.42Å; L245-L249 HydrophobicContact CD1-CG 4.47Å; L245-L249 HydrophobicContact CG-CD1 4.02Å; L245-L249 HydrophobicContact CG-CG 4.47Å; L245-L249 WeakPolarHBondContact O-CB 3.13Å; L245-L249 VanDerWaalsContact O-CG 3.26Å; L245-L249 WeakPolarHBondContact O-CG 3.46Å; L245-L249 PolarHBondContact O-N 3.36Å
246	F	90.4	Very high	83	Confident	137 Å²	137	101 Å²	101	60%	0.601	54%	0.54	S	S	*	.	H	α-helix	trans	-62.5	-46	176.6	-177.1	-98.4	0	0	0	112	A242 V243 G244 L249 R250	A242-F246 WeakPolarHBondContact O-CB 3.43Å; A242-F246 PolarHBondContact O-N 3.49Å; V243-F246 WeakPolarHBondContact O-CB 3.45Å; V243-F246 PolarHBondContact O-N 3.28Å; G244-F246 VanDerWaalsContact C-N 3.34Å; G244-F246 PolarHBondContact O-N 3.39Å; F246-L249 PolarHBondContact O-N 3.11Å; F246-R250 WeakPolarHBondContact O-CB 3.4Å; F246-R250 PolarHBondContact O-N 3.29Å
247	I	89.3	Confident	81	Confident	92 Å²	92	101.7 Å²	101.7	47%	0.472	55%	0.548	S	S	.	.	H	α-helix	trans	-63.2	-44.3	176.7	-64.5	170.2	0	0	0	110.6	V243 G244 R250 N251	V243-I247 HydrophobicContact CG1-CD1 3.92Å; V243-I247 HydrophobicContact CG1-CG1 4.49Å; V243-I247 WeakPolarHBondContact O-CG1 3.27Å; V243-I247 PolarHBondContact O-N 3.16Å; G244-I247 PolarHBondContact O-N 2.85Å; I247-R250 WeakPolarHBondContact O-CB 3.37Å; I247-R250 PolarHBondContact O-N 3.02Å; I247-N251 PolarHBondContact O-N 3.37Å
248	Y	88.7	Confident	78.9	Confident	142 Å²	142	104.5 Å²	104.5	56%	0.557	56%	0.562	S	S	*	*	H	α-helix	trans	-60.2	-47.3	178	177.3	-105.7	0	0	0	112.4	G244 L245 R250 N251 L252	G244-Y248 WeakPolarHBondContact O-CB 3.42Å; G244-Y248 PolarHBondContact O-N 3.39Å; L245-Y248 PolarHBondContact O-N 2.88Å; Y248-R250 VanDerWaalsContact C-N 3.3Å; Y248-R250 PolarHBondContact O-N 3.34Å; Y248-N251 PolarHBondContact O-N 3.34Å; Y248-L252 HydrophobicContact CD1-CD1 3.78Å; Y248-L252 HydrophobicContact CE1-CD1 3.26Å; Y248-L252 HydrophobicContact CE1-CG 4.24Å; Y248-L252 HydrophobicContact CE2-CD1 4.3Å; Y248-L252 HydrophobicContact CE2-CG 4.47Å; Y248-L252 HydrophobicContact CG-CD1 4.49Å; Y248-L252 PolarHBondContact O-N 3.33Å
249	L	84.5	Confident	76.7	Confident	81 Å²	81	108.3 Å²	108.3	42%	0.424	58%	0.577	S	S	.	*	H	α-helix	trans	-64.6	-33.7	176.5	-71.1	171.2	0	0	0	112.3	L245 F246 L252 R253	L245-L249 HydrophobicContact CD1-CD1 4.42Å; L245-L249 HydrophobicContact CD1-CG 4.47Å; L245-L249 HydrophobicContact CG-CD1 4.02Å; L245-L249 HydrophobicContact CG-CG 4.47Å; L245-L249 WeakPolarHBondContact O-CB 3.13Å; L245-L249 VanDerWaalsContact O-CG 3.26Å; L245-L249 WeakPolarHBondContact O-CG 3.46Å; L245-L249 PolarHBondContact O-N 3.36Å; F246-L249 PolarHBondContact O-N 3.11Å; L249-L252 HydrophobicContact CD2-CD1 4.48Å; L249-R253 WeakPolarHBondContact O-CG 3.34Å; L249-R253 PolarHBondContact O-N 3.3Å; L249-R253 VanDerWaalsContact O-N 3.12Å
250	R	82.9	Confident	74.5	Confident	174 Å²	174	105.1 Å²	105.1	66%	0.657	59%	0.585	S	S	*	*	H	α-helix	trans	-66.6	-41.3	174.1	-132.6	-178.5	97.4	157.3	6.4	111.9	F246 I247 Y248 R253 A254	F246-R250 WeakPolarHBondContact O-CB 3.4Å; F246-R250 PolarHBondContact O-N 3.29Å; I247-R250 WeakPolarHBondContact O-CB 3.37Å; I247-R250 PolarHBondContact O-N 3.02Å; Y248-R250 VanDerWaalsContact C-N 3.3Å; Y248-R250 PolarHBondContact O-N 3.34Å; R250-R253 PolarHBondContact O-N 2.87Å; R250-A254 PolarHBondContact O-N 3.04Å
251	N	76.4	Confident	72	Confident	108 Å²	108	105.1 Å²	105.1	58%	0.578	60%	0.602	S	S	*	*	H	α-helix	trans	-68.8	-38	177.4	-78.8	-9.1	0	0	0	112.4	I247 Y248 R253 A254 G255	I247-N251 PolarHBondContact O-N 3.37Å; Y248-N251 PolarHBondContact O-N 3.34Å; N251-R253 VanDerWaalsContact C-N 3.32Å; N251-R253 PolarHBondContact O-N 3.21Å; N251-A254 PolarHBondContact O-N 3.11Å; N251-G255 PolarHBondContact O-N 2.99Å
252	L	72.2	Confident	69.3	Low	92 Å²	92	106.8 Å²	106.8	48%	0.482	65%	0.648	S	S	.	*	H	α-helix	trans	-61.1	-40.1	172.2	-79.7	169.2	0	0	0	112.2	Y248 L249 G255 S256	Y248-L252 HydrophobicContact CD1-CD1 3.78Å; Y248-L252 HydrophobicContact CE1-CD1 3.26Å; Y248-L252 HydrophobicContact CE1-CG 4.24Å; Y248-L252 HydrophobicContact CE2-CD1 4.3Å; Y248-L252 HydrophobicContact CE2-CG 4.47Å; Y248-L252 HydrophobicContact CG-CD1 4.49Å; Y248-L252 PolarHBondContact O-N 3.33Å; L249-L252 HydrophobicContact CD2-CD1 4.48Å; L252-G255 PolarHBondContact O-N 3.33Å; L252-S256 PolarHBondContact O-N 2.78Å; L252-S256 PolarHBondContact O-OG 3.14Å
253	R	61.6	Low	68.1	Low	193 Å²	193	109.2 Å²	109.2	73%	0.728	66%	0.656	S	S	*	*	H	α-helix	trans	-71.4	-26.7	175.2	-73.8	-179.9	-176.2	175.1	1.9	113.6	L249 R250 N251 S256	L249-R253 WeakPolarHBondContact O-CG 3.34Å; L249-R253 PolarHBondContact O-N 3.3Å; L249-R253 VanDerWaalsContact O-N 3.12Å; R250-R253 PolarHBondContact O-N 2.87Å; N251-R253 VanDerWaalsContact C-N 3.32Å; N251-R253 PolarHBondContact O-N 3.21Å; R253-S256 PolarHBondContact O-OG 3.39Å; R253-S256 VanDerWaalsContact O-OG 3.1Å
254	A	57.8	Low	66.7	Low	67 Å²	67	111.7 Å²	111.7	55%	0.554	67%	0.672	S	S	*	*	H	α-helix	trans	-78.2	-31.3	175.2	0	0	0	0	0	112.6	R250 N251	R250-A254 PolarHBondContact O-N 3.04Å; N251-A254 PolarHBondContact O-N 3.11Å
255	G	55.1	Low	65.3	Low	49 Å²	49	115.7 Å²	115.7	51%	0.505	69%	0.687	S	S	.	*	H	α-helix	trans	-75.8	-21.1	176.5	0	0	0	0	0	114.8	N251 L252 V257	N251-G255 PolarHBondContact O-N 2.99Å; L252-G255 PolarHBondContact O-N 3.33Å; G255-V257 VanDerWaalsContact C-N 3.3Å; G255-V257 PolarHBondContact O-N 3.49Å
256	S	51.2	Low	63.7	Low	91 Å²	91	116.4 Å²	116.4	64%	0.636	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	0.4	177.6	54	0	0	0	0	114.7	L252 R253	L252-S256 PolarHBondContact O-N 2.78Å; L252-S256 PolarHBondContact O-OG 3.14Å; R253-S256 PolarHBondContact O-OG 3.39Å; R253-S256 VanDerWaalsContact O-OG 3.1Å
257	V	51.1	Low	62.1	Low	123 Å²	123	115.1 Å²	115.1	75%	0.745	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	-6.8	179.9	-179.3	0	0	0	0	112.5	G255	G255-V257 VanDerWaalsContact C-N 3.3Å; G255-V257 PolarHBondContact O-N 3.49Å
258	S	48.6	Very low	60.2	Low	90 Å²	90	116.7 Å²	116.7	63%	0.629	72%	0.716	S	S	*	*	S	Bend	trans	-100.3	12	-176.7	67.7	0	0	0	0	116.2
259	H	47.5	Very low	58.2	Low	193 Å²	193	114.9 Å²	114.9	89%	0.894	73%	0.727	S	S	*	*	S	Bend	trans	-128.9	79.8	171.7	-91.9	9.7	0	0	0	110.5
260	G	46.8	Very low	56.2	Low	79 Å²	79	117.5 Å²	117.5	81%	0.814	75%	0.751	S	S	*	*	S	Bend	trans	177.2	42.8	177.6	0	0	0	0	0	113.9
261	A	42	Very low	54	Low	110 Å²	110	112.8 Å²	112.8	91%	0.909	76%	0.759	S	S	*	*			trans	-158.2	115.3	164	0	0	0	0	0	108.6
262	G	37.4	Very low	51.9	Low	158 Å²	158	113.2 Å²	113.2	100%	1.629	78%	0.775	S	S	*	*			trans	153.4	0	-176.2	0	0	0	0	0	110.2

Retrieved 262 of 262 residues in 427 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).