A0A077ZIL4_TRITR Loading...

HTH IclR and IclR domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIL4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 274 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	45.8	Very low	45.5	Very low	247 Å²	247	159.9 Å²	159.9	100%	1.217	87%	0.869	S	S	*	*				0	92.6	0	-69.8	-174.3	-125.2	0	0	107.8
2	V	44.6	Very low	45.1	Very low	145 Å²	145	162.9 Å²	162.9	88%	0.879	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-103.7	118.2	179.3	177.4	0	0	0	0	106.4
3	A	52.4	Low	44.3	Very low	84 Å²	84	159.8 Å²	159.8	69%	0.694	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-66.3	139	-175.1	0	0	0	0	0	111.4
4	P	48.4	Very low	43.9	Very low	127 Å²	127	155.5 Å²	155.5	83%	0.825	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-77.9	132.8	179.7	30.4	-31.6	0	0	0	111.3
5	I	54.6	Low	43.7	Very low	160 Å²	160	151.5 Å²	151.5	82%	0.821	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-66.2	127.7	175.7	-61.2	169.5	0	0	0	109.1	A7	I5-A7 PolarHBondContact O-N 2.89Å
6	P	49.9	Very low	43	Very low	118 Å²	118	148.6 Å²	148.6	77%	0.766	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-72.3	130.1	178.3	28	-31.6	0	0	0	111.1
7	A	47.1	Very low	42.9	Very low	95 Å²	95	148 Å²	148	79%	0.785	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-61.2	132.2	-179.2	0	0	0	0	0	112.3	I5 R9	I5-A7 PolarHBondContact O-N 2.89Å; A7-R9 PolarHBondContact O-N 3.49Å; A7-R9 VanDerWaalsContact O-N 3.13Å
8	K	40.4	Very low	43	Very low	213 Å²	213	144.6 Å²	144.6	93%	0.926	85%	0.847	S	S	*	*			trans	-57.9	112.5	172.7	-77.1	177.9	175	176.4	0	109.8	G10	K8-G10 PolarHBondContact O-N 3.01Å; K8-G10 VanDerWaalsContact O-N 3.15Å
9	R	42.3	Very low	42.8	Very low	247 Å²	247	143.7 Å²	143.7	93%	0.932	85%	0.846	S	S	*	*			trans	-62.5	112	168.8	-87.1	178.5	168.3	176.8	-3.2	109.3	A7 R11	A7-R9 PolarHBondContact O-N 3.49Å; A7-R9 VanDerWaalsContact O-N 3.13Å; R9-R11 PolarHBondContact O-N 2.95Å
10	G	37.7	Very low	43.1	Very low	75 Å²	75	141.5 Å²	141.5	77%	0.773	85%	0.845	S	S	*	*			trans	-58.4	130.7	172.6	0	0	0	0	0	111.4	K8 K12	K8-G10 PolarHBondContact O-N 3.01Å; K8-G10 VanDerWaalsContact O-N 3.15Å; G10-K12 PolarHBondContact O-N 2.65Å
11	R	37.1	Very low	43.7	Very low	248 Å²	248	139.4 Å²	139.4	94%	0.936	83%	0.833	S	S	*	*			trans	-67.4	114.1	174.9	-162.6	174.2	179.4	175.7	-1.5	108.1	R9	R9-R11 PolarHBondContact O-N 2.95Å
12	K	41.2	Very low	44.7	Very low	196 Å²	196	132 Å²	132	85%	0.852	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-59.8	138.5	171	-105	-179.5	174	-178.7	0	109.1	G10 A14	G10-K12 PolarHBondContact O-N 2.65Å; K12-A14 PolarHBondContact O-N 3.48Å
13	P	34.3	Very low	46	Very low	122 Å²	122	131.2 Å²	131.2	79%	0.792	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-66.3	134.2	175	0.6	13	0	0	0	108.9	A15	P13-A15 PolarHBondContact O-N 3.42Å
14	A	39.1	Very low	47.7	Very low	100 Å²	100	131.8 Å²	131.8	83%	0.826	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-60.6	125.6	170.2	0	0	0	0	0	108.4	K12 A16	K12-A14 PolarHBondContact O-N 3.48Å; A14-A16 PolarHBondContact O-N 3.45Å
15	A	41	Very low	49.7	Very low	95 Å²	95	131.4 Å²	131.4	79%	0.785	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-59.6	128.3	174.7	0	0	0	0	0	109.4	P13 T17	P13-A15 PolarHBondContact O-N 3.42Å; A15-T17 PolarHBondContact O-N 3.4Å
16	A	32.2	Very low	51.4	Low	106 Å²	106	127.1 Å²	127.1	88%	0.876	77%	0.773	S	S	*	*			trans	-61.3	114.2	175.7	0	0	0	0	0	109.8	A14	A14-A16 PolarHBondContact O-N 3.45Å
17	T	41.3	Very low	53.4	Low	138 Å²	138	126.6 Å²	126.6	85%	0.847	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-81.5	129.2	166.2	37.9	0	0	0	0	109.2	A15	A15-T17 PolarHBondContact O-N 3.4Å
18	A	44.7	Very low	55.5	Low	87 Å²	87	124.3 Å²	124.3	72%	0.719	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-51	158.8	-179.5	0	0	0	0	0	113.2	A20	A18-A20 PolarHBondContact O-N 2.9Å
19	P	38.4	Very low	58	Low	128 Å²	128	118.3 Å²	118.3	83%	0.831	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-65.8	125.3	-165.8	27.8	-32.5	0	0	0	110.4	T21	P19-T21 PolarHBondContact O-N 3.03Å; P19-T21 VanDerWaalsContact O-N 3.14Å
20	A	49.7	Very low	60.5	Low	98 Å²	98	106.9 Å²	106.9	81%	0.81	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-62.6	116.1	171.1	0	0	0	0	0	108.3	A18	A18-A20 PolarHBondContact O-N 2.9Å
21	T	54.7	Low	63.1	Low	99 Å²	99	107.6 Å²	107.6	61%	0.607	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-49.4	142.1	154.2	52.7	0	0	0	0	107.3	P19 Q23	P19-T21 PolarHBondContact O-N 3.03Å; P19-T21 VanDerWaalsContact O-N 3.14Å; T21-Q23 PolarHBondContact O-N 3.3Å
22	G	66.7	Low	65.8	Low	91 Å²	91	100.8 Å²	100.8	94%	0.938	63%	0.633	S	S	*	*	S	Bend	trans	-64.2	25.7	-174.7	0	0	0	0	0	115.9
23	Q	72.7	Confident	68.4	Low	129 Å²	129	91.5 Å²	91.5	60%	0.603	59%	0.592	S	S	*	*			trans	-77.3	135.5	177.4	-63.7	-172.1	-8.8	0	0	111	T21 Q25	T21-Q23 PolarHBondContact O-N 3.3Å; Q23-Q25 PolarHBondContact O-N 3.24Å
24	V	88.5	Confident	71.3	Confident	95 Å²	95	87.1 Å²	87.1	58%	0.576	56%	0.562	S	S	*	*			trans	-71.9	99.7	173.9	-179.1	0	0	0	0	108.7	S26 L27 T28	V24-S26 VanDerWaalsContact C-N 3.25Å; V24-S26 PolarHBondContact O-N 3.26Å; V24-S26 VanDerWaalsContact O-N 3.11Å; V24-L27 HydrophobicContact CB-CB 4.28Å; V24-L27 HydrophobicContact CG1-CB 4.31Å; V24-L27 WeakPolarHBondContact O-CB 3.46Å; V24-L27 PolarHBondContact O-N 2.98Å; V24-T28 PolarHBondContact O-N 3.34Å
25	Q	89.9	Confident	73.8	Confident	120 Å²	120	87.5 Å²	87.5	56%	0.561	55%	0.547	S	S	*	.	H	α-helix	trans	-55.6	-35	-169.6	-167.6	180	45	0	0	114.3	Q23 R29	Q23-Q25 PolarHBondContact O-N 3.24Å; Q25-R29 WeakPolarHBondContact O-CB 3.49Å; Q25-R29 WeakPolarHBondContact O-CD 3.44Å; Q25-R29 VanDerWaalsContact O-CG 3.23Å; Q25-R29 WeakPolarHBondContact O-CG 3.45Å; Q25-R29 PolarHBondContact O-N 2.97Å; Q25-R29 VanDerWaalsContact O-N 3.09Å
26	S	90.5	Very high	76.3	Confident	69 Å²	69	85.7 Å²	85.7	48%	0.483	52%	0.519	S	S	.	.	H	α-helix	trans	-65.2	-38.8	177	48.6	0	0	0	0	112.5	V24 G30	V24-S26 VanDerWaalsContact C-N 3.25Å; V24-S26 PolarHBondContact O-N 3.26Å; V24-S26 VanDerWaalsContact O-N 3.11Å; S26-G30 PolarHBondContact O-N 3.31Å
27	L	92.1	Very high	79.3	Confident	107 Å²	107	80.8 Å²	80.8	56%	0.56	48%	0.479	S	S	*	.	H	α-helix	trans	-66.2	-51.3	177.7	179.4	63.6	0	0	0	110.5	V24 R29 G30 L31	V24-L27 HydrophobicContact CB-CB 4.28Å; V24-L27 HydrophobicContact CG1-CB 4.31Å; V24-L27 WeakPolarHBondContact O-CB 3.46Å; V24-L27 PolarHBondContact O-N 2.98Å; L27-R29 VanDerWaalsContact C-N 3.27Å; L27-R29 PolarHBondContact O-N 2.76Å; L27-G30 PolarHBondContact O-N 3.26Å; L27-G30 VanDerWaalsContact O-N 3.11Å; L27-L31 HydrophobicContact CD1-CD1 4.22Å; L27-L31 HydrophobicContact CD1-CG 4.27Å; L27-L31 HydrophobicContact CG-CD1 4.17Å; L27-L31 WeakPolarHBondContact O-CG 3.33Å; L27-L31 PolarHBondContact O-N 3.21Å
28	T	90	Very high	81.5	Confident	47 Å²	47	77.5 Å²	77.5	29%	0.288	47%	0.465	S	S	.	.	H	α-helix	trans	-56.5	-42.6	178.4	-51.5	0	0	0	0	111.6	V24 K32	V24-T28 PolarHBondContact O-N 3.34Å; T28-K32 WeakPolarHBondContact O-CG 3.36Å; T28-K32 PolarHBondContact O-N 2.78Å; T28-K32 VanDerWaalsContact O-N 3.12Å
29	R	93.3	Very high	83.5	Confident	88 Å²	88	80 Å²	80	33%	0.332	46%	0.462	S	S	.	.	H	α-helix	trans	-67.4	-40.7	177.5	-73.6	170.1	173.1	176.1	-7	112.5	Q25 L27 L33 L55 L63	Q25-R29 WeakPolarHBondContact O-CB 3.49Å; Q25-R29 WeakPolarHBondContact O-CD 3.44Å; Q25-R29 VanDerWaalsContact O-CG 3.23Å; Q25-R29 WeakPolarHBondContact O-CG 3.45Å; Q25-R29 PolarHBondContact O-N 2.97Å; Q25-R29 VanDerWaalsContact O-N 3.09Å; L27-R29 VanDerWaalsContact C-N 3.27Å; L27-R29 PolarHBondContact O-N 2.76Å; R29-L33 WeakPolarHBondContact O-CG 3.14Å; R29-L33 PolarHBondContact O-N 3.43Å; R29-L55 HydrophobicContact CB-CD1 4.28Å; R29-L55 HydrophobicContact CG-CD1 4.25Å; R29-L55 VanDerWaalsContact CZ-CD2 3.49Å; R29-L63 HydrophobicContact CB-CD1 3.82Å
30	G	94.9	Very high	85.9	Confident	7 Å²	7	75.3 Å²	75.3	7%	0.072	43%	0.432	C	S	.	.	H	α-helix	trans	-60.4	-48.5	176.2	0	0	0	0	0	111.9	S26 L27 K32 L33 L34	S26-G30 PolarHBondContact O-N 3.31Å; L27-G30 PolarHBondContact O-N 3.26Å; L27-G30 VanDerWaalsContact O-N 3.11Å; G30-K32 PolarHBondContact O-N 3.26Å; G30-L33 WeakPolarHBondContact O-CB 3.42Å; G30-L33 PolarHBondContact O-N 3.26Å; G30-L34 PolarHBondContact O-N 3.42Å; G30-L34 VanDerWaalsContact O-N 3.07Å
31	L	93.5	Very high	87.2	Confident	89 Å²	89	79 Å²	79	47%	0.466	44%	0.439	S	S	.	.	H	α-helix	trans	-62.3	-43.5	179.1	-66.5	175.5	0	0	0	112.2	L27 L33 L34 E35	L27-L31 HydrophobicContact CD1-CD1 4.22Å; L27-L31 HydrophobicContact CD1-CG 4.27Å; L27-L31 HydrophobicContact CG-CD1 4.17Å; L27-L31 WeakPolarHBondContact O-CG 3.33Å; L27-L31 PolarHBondContact O-N 3.21Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-L33 PolarHBondContact O-N 3.3Å; L31-L34 VanDerWaalsContact O-CB 3.31Å; L31-L34 WeakPolarHBondContact O-CB 3.44Å; L31-L34 PolarHBondContact O-N 2.91Å; L31-L34 VanDerWaalsContact O-N 3.1Å; L31-E35 WeakPolarHBondContact O-CG 3.48Å; L31-E35 PolarHBondContact O-N 3.38Å
32	K	92.9	Very high	88.5	Confident	106 Å²	106	77 Å²	77	46%	0.461	44%	0.438	S	S	.	.	H	α-helix	trans	-62.3	-38.1	174.9	-76.1	-169.5	172	-166.1	0	113.7	T28 G30 L34 E35 W36	T28-K32 WeakPolarHBondContact O-CG 3.36Å; T28-K32 PolarHBondContact O-N 2.78Å; T28-K32 VanDerWaalsContact O-N 3.12Å; G30-K32 PolarHBondContact O-N 3.26Å; K32-L34 VanDerWaalsContact C-N 3.28Å; K32-L34 PolarHBondContact O-N 3Å; K32-E35 PolarHBondContact O-N 3.18Å; K32-W36 HydrophobicContact CB-CH2 4.3Å; K32-W36 HydrophobicContact CB-CZ3 4.27Å; K32-W36 PolarHBondContact O-N 3.13Å
33	L	96.3	Very high	89.8	Confident	1 Å²	1	74.9 Å²	74.9	1%	0.005	41%	0.408	C	S	.	.	H	α-helix	trans	-62.4	-39.4	174	-75.2	168	0	0	0	111.1	R29 G30 L31 W36 I37 L49 A53 T60 L63 M67	R29-L33 WeakPolarHBondContact O-CG 3.14Å; R29-L33 PolarHBondContact O-N 3.43Å; G30-L33 WeakPolarHBondContact O-CB 3.42Å; G30-L33 PolarHBondContact O-N 3.26Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-L33 PolarHBondContact O-N 3.3Å; L33-W36 HydrophobicContact CD2-CE3 4.07Å; L33-W36 HydrophobicContact CD2-CZ3 4.25Å; L33-W36 PolarHBondContact O-N 3.32Å; L33-I37 WeakPolarHBondContact O-CD1 3.47Å; L33-I37 WeakPolarHBondContact O-CG1 3.42Å; L33-I37 PolarHBondContact O-N 2.85Å; L33-L49 HydrophobicContact CD2-CB 3.99Å; L33-L49 HydrophobicContact CD2-CD2 4.12Å; L33-L49 HydrophobicContact CD2-CG 4.5Å; L33-A53 HydrophobicContact CD2-CB 4.03Å; L33-T60 HydrophobicContact CD1-CG2 4.05Å; L33-T60 HydrophobicContact CD2-CG2 3.83Å; L33-L63 HydrophobicContact CD1-CB 3.91Å; L33-L63 HydrophobicContact CD1-CD1 3.76Å; L33-M67 HydrophobicContact CB-CE 4.04Å
34	L	95.1	Very high	90.9	Very high	29 Å²	29	69.2 Å²	69.2	15%	0.152	38%	0.382	C	S	.	.	H	α-helix	trans	-62.5	-44.6	175.5	-170.7	70.2	0	0	0	111.4	G30 L31 K32 I37 A38 M67 F72 V73 I84	G30-L34 PolarHBondContact O-N 3.42Å; G30-L34 VanDerWaalsContact O-N 3.07Å; L31-L34 VanDerWaalsContact O-CB 3.31Å; L31-L34 WeakPolarHBondContact O-CB 3.44Å; L31-L34 PolarHBondContact O-N 2.91Å; L31-L34 VanDerWaalsContact O-N 3.1Å; K32-L34 VanDerWaalsContact C-N 3.28Å; K32-L34 PolarHBondContact O-N 3Å; L34-I37 PolarHBondContact O-N 3.37Å; L34-A38 PolarHBondContact O-N 3.29Å; L34-M67 HydrophobicContact CB-SD 4.33Å; L34-F72 HydrophobicContact CD1-CB 4.15Å; L34-F72 HydrophobicContact CD2-CD1 4.06Å; L34-V73 HydrophobicContact CD1-CG1 3.56Å; L34-I84 HydrophobicContact CD1-CD1 3.59Å; L34-I84 HydrophobicContact CG-CD1 4.17Å
35	E	91.2	Very high	91.2	Very high	109 Å²	109	65.3 Å²	65.3	51%	0.509	36%	0.36	S	S	.	.	H	α-helix	trans	-58.2	-49.3	175.7	-69.8	164.6	-168	0	0	111.6	L31 K32 I37 A38 E39	L31-E35 WeakPolarHBondContact O-CG 3.48Å; L31-E35 PolarHBondContact O-N 3.38Å; K32-E35 PolarHBondContact O-N 3.18Å; E35-I37 VanDerWaalsContact C-N 3.33Å; E35-I37 PolarHBondContact O-N 2.98Å; E35-A38 WeakPolarHBondContact O-CA 3.18Å; E35-A38 WeakPolarHBondContact O-CB 3.46Å; E35-A38 PolarHBondContact O-N 3.34Å; E35-E39 WeakPolarHBondContact O-CG 3.23Å; E35-E39 PolarHBondContact O-N 2.99Å
36	W	94.1	Very high	91.6	Very high	56 Å²	56	61.7 Å²	61.7	21%	0.212	34%	0.344	C	S	.	.	H	α-helix	trans	-64.4	-34	178.4	-68.7	-34.2	0	0	0	114	K32 L33 A38 E39 S40 L49 Q52 A53	K32-W36 HydrophobicContact CB-CH2 4.3Å; K32-W36 HydrophobicContact CB-CZ3 4.27Å; K32-W36 PolarHBondContact O-N 3.13Å; L33-W36 HydrophobicContact CD2-CE3 4.07Å; L33-W36 HydrophobicContact CD2-CZ3 4.25Å; L33-W36 PolarHBondContact O-N 3.32Å; W36-A38 VanDerWaalsContact C-N 3.31Å; W36-E39 PolarHBondContact O-N 3.42Å; W36-S40 PolarHBondContact O-N 2.74Å; W36-S40 VanDerWaalsContact O-N 3.14Å; W36-L49 HydrophobicContact CB-CD2 4.02Å; W36-Q52 HydrophobicContact CD2-CG 3.95Å; W36-Q52 HydrophobicContact CE3-CG 4.3Å; W36-Q52 HydrophobicContact CG-CG 4.38Å; W36-Q52 WeakPolarHBondContact CH2-O 3.22Å; W36-Q52 HydrophobicContact CZ2-CG 4.17Å; W36-A53 HydrophobicContact CE3-CB 4.42Å; W36-A53 HydrophobicContact CH2-CB 4.14Å; W36-A53 HydrophobicContact CZ3-CB 3.49Å; W36-A53 VanDerWaalsContact CZ3-CB 3.49Å
37	I	94.7	Very high	91.8	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-65	-40	172.4	-64.6	163.8	0	0	0	109.9	L33 L34 E35 E39 S40 V44 L49 L64 V73 W82 I84	L33-I37 WeakPolarHBondContact O-CD1 3.47Å; L33-I37 WeakPolarHBondContact O-CG1 3.42Å; L33-I37 PolarHBondContact O-N 2.85Å; L34-I37 PolarHBondContact O-N 3.37Å; E35-I37 VanDerWaalsContact C-N 3.33Å; E35-I37 PolarHBondContact O-N 2.98Å; I37-E39 VanDerWaalsContact C-N 3.33Å; I37-S40 WeakPolarHBondContact O-CB 2.93Å; I37-S40 PolarHBondContact O-N 2.74Å; I37-S40 PolarHBondContact O-OG 3.31Å; I37-V44 HydrophobicContact CB-CG1 4.35Å; I37-V44 HydrophobicContact CG1-CG1 3.72Å; I37-V44 HydrophobicContact CG2-CG1 4.43Å; I37-L49 HydrophobicContact CD1-CD1 3.95Å; I37-L49 HydrophobicContact CG1-CD1 3.79Å; I37-L49 HydrophobicContact CG1-CD2 3.87Å; I37-L49 HydrophobicContact CG1-CG 4.42Å; I37-L64 HydrophobicContact CD1-CD2 3.62Å; I37-V73 HydrophobicContact CD1-CB 4.5Å; I37-V73 HydrophobicContact CD1-CG1 3.71Å; I37-W82 HydrophobicContact CD1-CB 4.09Å; I37-I84 HydrophobicContact CB-CD1 3.93Å; I37-I84 HydrophobicContact CG2-CD1 3.72Å; I37-I84 HydrophobicContact CG2-CG1 3.95Å
38	A	88.5	Confident	92	Very high	68 Å²	68	62.2 Å²	62.2	56%	0.562	34%	0.342	S	S	*	.	H	α-helix	trans	-67.9	-32.7	178.8	0	0	0	0	0	112.9	L34 E35 W36 S40 I84	L34-A38 PolarHBondContact O-N 3.29Å; E35-A38 WeakPolarHBondContact O-CA 3.18Å; E35-A38 WeakPolarHBondContact O-CB 3.46Å; E35-A38 PolarHBondContact O-N 3.34Å; W36-A38 VanDerWaalsContact C-N 3.31Å; A38-S40 VanDerWaalsContact C-N 3.3Å; A38-I84 HydrophobicContact CB-CD1 4Å; A38-I84 HydrophobicContact CB-CG1 4.08Å
39	E	86.7	Confident	92.2	Very high	140 Å²	140	60 Å²	60	65%	0.654	33%	0.328	S	S	*	.	H	α-helix	trans	-76	-16.6	174.5	-68.5	171.7	176.1	0	0	113.1	E35 W36 I37	E35-E39 WeakPolarHBondContact O-CG 3.23Å; E35-E39 PolarHBondContact O-N 2.99Å; W36-E39 PolarHBondContact O-N 3.42Å; I37-E39 VanDerWaalsContact C-N 3.33Å
40	S	87.6	Confident	92.3	Very high	29 Å²	29	56 Å²	56	20%	0.203	31%	0.313	C	S	.	.	S	Bend	trans	-73.3	154.4	176.8	79.4	0	0	0	0	112.2	W36 I37 A38 G42	W36-S40 PolarHBondContact O-N 2.74Å; W36-S40 VanDerWaalsContact O-N 3.14Å; I37-S40 WeakPolarHBondContact O-CB 2.93Å; I37-S40 PolarHBondContact O-N 2.74Å; I37-S40 PolarHBondContact O-OG 3.31Å; A38-S40 VanDerWaalsContact C-N 3.3Å; S40-G42 PolarHBondContact O-N 3.15Å
41	N	77.5	Confident	92.4	Very high	177 Å²	177	63.4 Å²	63.4	95%	0.947	35%	0.346	S	S	*	.	S	Bend	trans	-72.7	62.1	175.3	-74.3	-26.2	0	0	0	112	S43	N41-S43 PolarHBondContact O-N 3.16Å
42	G	82.7	Confident	92.3	Very high	57 Å²	57	64.7 Å²	64.7	59%	0.588	35%	0.35	S	S	*	.	S	Bend	trans	94.6	-37.4	172.3	0	0	0	0	0	115.7	S40 A83	S40-G42 PolarHBondContact O-N 3.15Å; G42-A83 VanDerWaalsContact O-CB 3.26Å; G42-A83 WeakPolarHBondContact O-CB 3.46Å
43	S	92.3	Very high	92.2	Very high	45 Å²	45	61 Å²	61	32%	0.315	34%	0.339	S	S	.	.			trans	-159.4	158.2	174.4	69.6	0	0	0	0	112.6	N41 V76 W82	N41-S43 PolarHBondContact O-N 3.16Å; S43-V76 VanDerWaalsContact CB-CG2 3.49Å; S43-W82 CarbonylContact C-O 3.59Å; S43-W82 WeakPolarHBondContact CA-O 3.31Å; S43-W82 WeakPolarHBondContact CB-O 3.42Å
44	V	95.9	Very high	92	Very high	11 Å²	11	64 Å²	64	7%	0.067	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-142.9	146.1	-174.2	60.5	0	0	0	0	112.5	I37 E48 L49 W82	I37-V44 HydrophobicContact CB-CG1 4.35Å; I37-V44 HydrophobicContact CG1-CG1 3.72Å; I37-V44 HydrophobicContact CG2-CG1 4.43Å; V44-E48 HydrophobicContact CG2-CB 3.93Å; V44-E48 WeakPolarHBondContact CG2-OE2 3.16Å; V44-L49 HydrophobicContact CB-CG 4.43Å; V44-L49 HydrophobicContact CG1-CD1 3.63Å; V44-L49 HydrophobicContact CG1-CD2 3.79Å; V44-L49 HydrophobicContact CG1-CG 3.59Å; V44-L49 HydrophobicContact CG2-CD2 4.32Å; V44-L49 HydrophobicContact CG2-CG 3.96Å; V44-W82 HydrophobicContact CG1-CB 4.48Å; V44-W82 PolarHBondContact N-O 3.07Å; V44-W82 PolarHBondContact O-N 2.93Å
45	A	96.4	Very high	91.9	Very high	13 Å²	13	63.5 Å²	63.5	11%	0.107	37%	0.368	C	S	.	.			trans	-73.1	150	178.7	0	0	0	0	0	112.5	T47 E48 L49	A45-T47 VanDerWaalsContact C-N 3.29Å; A45-T47 PolarHBondContact O-N 3.15Å; A45-E48 HydrophobicContact CB-CB 4.45Å; A45-E48 HydrophobicContact CB-CG 4.17Å; A45-E48 PolarHBondContact O-N 3.47Å; A45-L49 PolarHBondContact O-N 2.83Å; A45-L49 VanDerWaalsContact O-N 3.1Å
46	L	96.4	Very high	92.2	Very high	43 Å²	43	62 Å²	62	23%	0.225	37%	0.368	C	S	.	.	H	α-helix	trans	-56	-42.7	176.8	172.4	67.1	0	0	0	112.4	L49 A50 N57 T60 H61 L64	L46-L49 PolarHBondContact O-N 2.9Å; L46-A50 VanDerWaalsContact O-CB 3.26Å; L46-A50 WeakPolarHBondContact O-CB 3.38Å; L46-A50 PolarHBondContact O-N 3.22Å; L46-N57 HydrophobicContact CD2-CB 4.46Å; L46-T60 HydrophobicContact CD1-CG2 3.77Å; L46-H61 HydrophobicContact CD1-CB 4Å; L46-H61 HydrophobicContact CD2-CB 4.07Å; L46-L64 HydrophobicContact CD1-CD1 3.66Å
47	T	95.9	Very high	92.3	Very high	79 Å²	79	63.1 Å²	63.1	49%	0.485	38%	0.378	S	S	.	.	H	α-helix	trans	-67.1	-38.3	-176.7	45.9	0	0	0	0	111.9	A45 A50 Q51	A45-T47 VanDerWaalsContact C-N 3.29Å; A45-T47 PolarHBondContact O-N 3.15Å; T47-A50 PolarHBondContact O-N 3.19Å; T47-Q51 WeakPolarHBondContact O-CB 3.38Å; T47-Q51 PolarHBondContact O-N 2.98Å
48	E	95.4	Very high	92.4	Very high	109 Å²	109	67.2 Å²	67.2	51%	0.509	41%	0.407	S	S	.	.	H	α-helix	trans	-65.5	-48.2	175.8	-68.4	172.8	-166	0	0	110.3	V44 A45 A50 Q51 Q52	V44-E48 HydrophobicContact CG2-CB 3.93Å; V44-E48 WeakPolarHBondContact CG2-OE2 3.16Å; A45-E48 HydrophobicContact CB-CB 4.45Å; A45-E48 HydrophobicContact CB-CG 4.17Å; A45-E48 PolarHBondContact O-N 3.47Å; E48-A50 VanDerWaalsContact C-N 3.33Å; E48-A50 PolarHBondContact O-N 3.36Å; E48-Q51 PolarHBondContact O-N 3.24Å; E48-Q52 WeakPolarHBondContact O-CB 3.47Å; E48-Q52 PolarHBondContact O-N 3.06Å
49	L	95.3	Very high	92.7	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.005	39%	0.391	C	S	.	.	H	α-helix	trans	-58.3	-44.3	174.3	-78.3	175.3	0	0	0	112.5	L33 W36 I37 V44 A45 L46 Q52 A53 T60 L64 W82	L33-L49 HydrophobicContact CD2-CB 3.99Å; L33-L49 HydrophobicContact CD2-CD2 4.12Å; L33-L49 HydrophobicContact CD2-CG 4.5Å; W36-L49 HydrophobicContact CB-CD2 4.02Å; I37-L49 HydrophobicContact CD1-CD1 3.95Å; I37-L49 HydrophobicContact CG1-CD1 3.79Å; I37-L49 HydrophobicContact CG1-CD2 3.87Å; I37-L49 HydrophobicContact CG1-CG 4.42Å; V44-L49 HydrophobicContact CB-CG 4.43Å; V44-L49 HydrophobicContact CG1-CD1 3.63Å; V44-L49 HydrophobicContact CG1-CD2 3.79Å; V44-L49 HydrophobicContact CG1-CG 3.59Å; V44-L49 HydrophobicContact CG2-CD2 4.32Å; V44-L49 HydrophobicContact CG2-CG 3.96Å; A45-L49 PolarHBondContact O-N 2.83Å; A45-L49 VanDerWaalsContact O-N 3.1Å; L46-L49 PolarHBondContact O-N 2.9Å; L49-Q52 PolarHBondContact O-N 2.99Å; L49-A53 WeakPolarHBondContact O-CB 3.35Å; L49-A53 PolarHBondContact O-N 3.11Å; L49-T60 HydrophobicContact CB-CG2 4.11Å; L49-L64 HydrophobicContact CD1-CD1 3.8Å; L49-L64 HydrophobicContact CD1-CD2 4.07Å; L49-W82 HydrophobicContact CD1-CB 4.16Å; L49-W82 HydrophobicContact CD1-CG 4.38Å
50	A	96.1	Very high	93.2	Very high	2 Å²	2	59.1 Å²	59.1	2%	0.017	36%	0.36	C	S	.	.	H	α-helix	trans	-64.8	-41.7	-179.6	0	0	0	0	0	111.8	L46 T47 E48 A53 G54 L55 N57 T60	L46-A50 VanDerWaalsContact O-CB 3.26Å; L46-A50 WeakPolarHBondContact O-CB 3.38Å; L46-A50 PolarHBondContact O-N 3.22Å; T47-A50 PolarHBondContact O-N 3.19Å; E48-A50 VanDerWaalsContact C-N 3.33Å; E48-A50 PolarHBondContact O-N 3.36Å; A50-A53 PolarHBondContact O-N 3.16Å; A50-G54 PolarHBondContact O-N 2.91Å; A50-L55 WeakPolarHBondContact CB-O 3.37Å; A50-L55 PolarHBondContact O-N 3.19Å; A50-N57 WeakPolarHBondContact CB-OD1 3.48Å; A50-T60 WeakPolarHBondContact CA-OG1 3.47Å; A50-T60 HydrophobicContact CB-CG2 4.1Å; A50-T60 WeakPolarHBondContact CB-OG1 3.49Å
51	Q	95.1	Very high	93.7	Very high	164 Å²	164	61.7 Å²	61.7	77%	0.766	37%	0.369	S	S	*	.	H	α-helix	trans	-63	-48.9	175.3	-178.6	177.2	-6.9	0	0	111.2	T47 E48 A53 G54	T47-Q51 WeakPolarHBondContact O-CB 3.38Å; T47-Q51 PolarHBondContact O-N 2.98Å; E48-Q51 PolarHBondContact O-N 3.24Å; Q51-A53 VanDerWaalsContact C-N 3.26Å; Q51-A53 PolarHBondContact O-N 3.38Å; Q51-G54 PolarHBondContact O-N 3.13Å
52	Q	91.4	Very high	94.6	Very high	116 Å²	116	61.5 Å²	61.5	54%	0.542	36%	0.355	S	S	.	.	H	α-helix	trans	-63.9	-33.8	179.3	-168.1	157.5	-6.5	0	0	112.1	W36 E48 L49 G54	W36-Q52 HydrophobicContact CD2-CG 3.95Å; W36-Q52 HydrophobicContact CE3-CG 4.3Å; W36-Q52 HydrophobicContact CG-CG 4.38Å; W36-Q52 WeakPolarHBondContact CH2-O 3.22Å; W36-Q52 HydrophobicContact CZ2-CG 4.17Å; E48-Q52 WeakPolarHBondContact O-CB 3.47Å; E48-Q52 PolarHBondContact O-N 3.06Å; L49-Q52 PolarHBondContact O-N 2.99Å; Q52-G54 VanDerWaalsContact C-N 3.32Å; Q52-G54 PolarHBondContact O-N 3.45Å
53	A	90.7	Very high	95.3	Very high	27 Å²	27	59.8 Å²	59.8	22%	0.223	33%	0.332	C	S	.	.	H	α-helix	trans	-74.7	-16.6	174.4	0	0	0	0	0	114.9	L33 W36 L49 A50 Q51 L55	L33-A53 HydrophobicContact CD2-CB 4.03Å; W36-A53 HydrophobicContact CE3-CB 4.42Å; W36-A53 HydrophobicContact CH2-CB 4.14Å; W36-A53 HydrophobicContact CZ3-CB 3.49Å; W36-A53 VanDerWaalsContact CZ3-CB 3.49Å; L49-A53 WeakPolarHBondContact O-CB 3.35Å; L49-A53 PolarHBondContact O-N 3.11Å; A50-A53 PolarHBondContact O-N 3.16Å; Q51-A53 VanDerWaalsContact C-N 3.26Å; Q51-A53 PolarHBondContact O-N 3.38Å; A53-L55 VanDerWaalsContact C-N 3.26Å; A53-L55 HydrophobicContact CB-CB 4.05Å; A53-L55 HydrophobicContact CB-CD1 3.72Å; A53-L55 HydrophobicContact CB-CG 3.65Å; A53-L55 PolarHBondContact O-N 3.17Å
54	G	93.1	Very high	95.5	Very high	66 Å²	66	57.7 Å²	57.7	68%	0.68	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	36.1	-166.9	0	0	0	0	0	112.5	A50 Q51 Q52	A50-G54 PolarHBondContact O-N 2.91Å; Q51-G54 PolarHBondContact O-N 3.13Å; Q52-G54 VanDerWaalsContact C-N 3.32Å; Q52-G54 PolarHBondContact O-N 3.45Å
55	L	93.9	Very high	95.6	Very high	17 Å²	17	59 Å²	59	9%	0.089	33%	0.325	C	S	.	.			trans	-119	149.8	-176.9	-62.4	178.9	0	0	0	111.6	R29 A50 A53 T60 L63	R29-L55 HydrophobicContact CB-CD1 4.28Å; R29-L55 HydrophobicContact CG-CD1 4.25Å; R29-L55 VanDerWaalsContact CZ-CD2 3.49Å; A50-L55 WeakPolarHBondContact CB-O 3.37Å; A50-L55 PolarHBondContact O-N 3.19Å; A53-L55 VanDerWaalsContact C-N 3.26Å; A53-L55 HydrophobicContact CB-CB 4.05Å; A53-L55 HydrophobicContact CB-CD1 3.72Å; A53-L55 HydrophobicContact CB-CG 3.65Å; A53-L55 PolarHBondContact O-N 3.17Å; L55-T60 WeakPolarHBondContact CB-OG1 3.33Å; L55-L63 HydrophobicContact CD1-CD1 4.07Å
56	P	96.4	Very high	95.6	Very high	78 Å²	78	61.7 Å²	61.7	51%	0.506	34%	0.341	S	S	.	.			trans	-61.8	142.4	168.8	-20.8	32.4	0	0	0	111.5	S58 T59 T60	P56-S58 PolarHBondContact O-N 2.78Å; P56-S58 VanDerWaalsContact O-N 3.08Å; P56-T59 WeakPolarHBondContact O-CA 3.47Å; P56-T59 WeakPolarHBondContact O-CB 3.41Å; P56-T59 PolarHBondContact O-N 3.41Å; P56-T60 PolarHBondContact O-N 3.33Å; P56-T60 PolarHBondContact O-OG1 2.96Å
57	N	96.5	Very high	95.6	Very high	79 Å²	79	60.8 Å²	60.8	42%	0.422	34%	0.335	S	S	.	.	H	α-helix	trans	-48.7	-40.4	177.6	-74.3	-27	0	0	0	113.2	L46 A50 T59 T60 H61	L46-N57 HydrophobicContact CD2-CB 4.46Å; A50-N57 WeakPolarHBondContact CB-OD1 3.48Å; N57-T59 VanDerWaalsContact C-N 3.34Å; N57-T59 PolarHBondContact O-N 2.95Å; N57-T60 PolarHBondContact O-N 3.21Å; N57-H61 WeakPolarHBondContact O-CB 3.31Å; N57-H61 PolarHBondContact O-N 3.39Å
58	S	96.7	Very high	95.7	Very high	90 Å²	90	60.6 Å²	60.6	63%	0.629	33%	0.329	S	S	*	.	H	α-helix	trans	-64.6	-36.6	178.4	58	0	0	0	0	113.2	P56 R62	P56-S58 PolarHBondContact O-N 2.78Å; P56-S58 VanDerWaalsContact O-N 3.08Å; S58-R62 PolarHBondContact O-N 3.24Å; S58-R62 VanDerWaalsContact O-N 3.14Å
59	T	95.7	Very high	95.7	Very high	39 Å²	39	62.3 Å²	62.3	24%	0.239	34%	0.337	C	S	.	.	H	α-helix	trans	-73.7	-45.6	178.5	-58.9	0	0	0	0	110.4	P56 N57 H61 R62 L63	P56-T59 WeakPolarHBondContact O-CA 3.47Å; P56-T59 WeakPolarHBondContact O-CB 3.41Å; P56-T59 PolarHBondContact O-N 3.41Å; N57-T59 VanDerWaalsContact C-N 3.34Å; N57-T59 PolarHBondContact O-N 2.95Å; T59-H61 VanDerWaalsContact C-N 3.35Å; T59-R62 PolarHBondContact O-N 3.04Å; T59-L63 WeakPolarHBondContact O-CG 3.07Å; T59-L63 PolarHBondContact O-N 3.18Å; T59-L63 VanDerWaalsContact O-N 3.11Å
60	T	96.9	Very high	95.8	Very high	0 Å²	0	68 Å²	68	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-58.7	-47.7	175.3	-51.4	0	0	0	0	110.7	L33 L46 L49 A50 L55 P56 N57 R62 L63 L64	L33-T60 HydrophobicContact CD1-CG2 4.05Å; L33-T60 HydrophobicContact CD2-CG2 3.83Å; L46-T60 HydrophobicContact CD1-CG2 3.77Å; L49-T60 HydrophobicContact CB-CG2 4.11Å; A50-T60 WeakPolarHBondContact CA-OG1 3.47Å; A50-T60 HydrophobicContact CB-CG2 4.1Å; A50-T60 WeakPolarHBondContact CB-OG1 3.49Å; L55-T60 WeakPolarHBondContact CB-OG1 3.33Å; P56-T60 PolarHBondContact O-N 3.33Å; P56-T60 PolarHBondContact O-OG1 2.96Å; N57-T60 PolarHBondContact O-N 3.21Å; T60-R62 VanDerWaalsContact C-N 3.34Å; T60-R62 PolarHBondContact O-N 2.95Å; T60-L63 PolarHBondContact O-N 2.93Å; T60-L64 HydrophobicContact CG2-CD1 3.85Å; T60-L64 HydrophobicContact CG2-CG 4.44Å; T60-L64 VanDerWaalsContact O-CG 3.32Å; T60-L64 WeakPolarHBondContact O-CG 3.37Å; T60-L64 PolarHBondContact O-N 3.16Å
61	H	96.7	Very high	95.6	Very high	82 Å²	82	69.2 Å²	69.2	38%	0.38	38%	0.376	S	S	.	.	H	α-helix	trans	-57.1	-47.2	177.5	-177	-86.5	0	0	0	111.3	L46 N57 T59 L63 L64 T65	L46-H61 HydrophobicContact CD1-CB 4Å; L46-H61 HydrophobicContact CD2-CB 4.07Å; N57-H61 WeakPolarHBondContact O-CB 3.31Å; N57-H61 PolarHBondContact O-N 3.39Å; T59-H61 VanDerWaalsContact C-N 3.35Å; H61-L63 VanDerWaalsContact C-N 3.34Å; H61-L63 PolarHBondContact O-N 3.35Å; H61-L64 PolarHBondContact O-N 2.8Å; H61-T65 PolarHBondContact CE1-OG1 3.28Å; H61-T65 PolarHBondContact ND1-OG1 3.11Å; H61-T65 PolarHBondContact O-N 3.25Å; H61-T65 PolarHBondContact O-OG1 2.95Å
62	R	96.9	Very high	95.7	Very high	173 Å²	173	64 Å²	64	65%	0.653	35%	0.351	S	S	*	.	H	α-helix	trans	-61.3	-40	179.4	-169.2	176.6	67.2	175.5	1.5	112.9	S58 T59 T60 T66	S58-R62 PolarHBondContact O-N 3.24Å; S58-R62 VanDerWaalsContact O-N 3.14Å; T59-R62 PolarHBondContact O-N 3.04Å; T60-R62 VanDerWaalsContact C-N 3.34Å; T60-R62 PolarHBondContact O-N 2.95Å; R62-T66 WeakPolarHBondContact O-CB 3.42Å; R62-T66 PolarHBondContact O-N 2.97Å; R62-T66 PolarHBondContact O-OG1 3.11Å
63	L	97.3	Very high	96	Very high	22 Å²	22	58.6 Å²	58.6	12%	0.115	33%	0.326	C	S	.	.	H	α-helix	trans	-63.6	-46.2	174.9	-68.6	171.6	0	0	0	110.9	R29 L33 L55 T59 T60 H61 T66 M67	R29-L63 HydrophobicContact CB-CD1 3.82Å; L33-L63 HydrophobicContact CD1-CB 3.91Å; L33-L63 HydrophobicContact CD1-CD1 3.76Å; L55-L63 HydrophobicContact CD1-CD1 4.07Å; T59-L63 WeakPolarHBondContact O-CG 3.07Å; T59-L63 PolarHBondContact O-N 3.18Å; T59-L63 VanDerWaalsContact O-N 3.11Å; T60-L63 PolarHBondContact O-N 2.93Å; H61-L63 VanDerWaalsContact C-N 3.34Å; H61-L63 PolarHBondContact O-N 3.35Å; L63-T66 WeakPolarHBondContact O-CB 3.29Å; L63-T66 PolarHBondContact O-N 2.95Å; L63-M67 WeakPolarHBondContact O-CG 3.1Å; L63-M67 PolarHBondContact O-N 3.37Å
64	L	97.6	Very high	96.2	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-63.5	-44.4	178.5	-67.4	168	0	0	0	112.2	I37 L46 L49 T60 H61 T66 M67 Q68 V73 W82	I37-L64 HydrophobicContact CD1-CD2 3.62Å; L46-L64 HydrophobicContact CD1-CD1 3.66Å; L49-L64 HydrophobicContact CD1-CD1 3.8Å; L49-L64 HydrophobicContact CD1-CD2 4.07Å; T60-L64 HydrophobicContact CG2-CD1 3.85Å; T60-L64 HydrophobicContact CG2-CG 4.44Å; T60-L64 VanDerWaalsContact O-CG 3.32Å; T60-L64 WeakPolarHBondContact O-CG 3.37Å; T60-L64 PolarHBondContact O-N 3.16Å; H61-L64 PolarHBondContact O-N 2.8Å; L64-T66 VanDerWaalsContact C-N 3.29Å; L64-T66 PolarHBondContact O-N 3.2Å; L64-M67 HydrophobicContact CD2-CE 3.72Å; L64-M67 HydrophobicContact CG-CE 4.48Å; L64-M67 CarbonylContact O-C 3.57Å; L64-M67 PolarHBondContact O-N 3.38Å; L64-Q68 WeakPolarHBondContact O-CB 3.13Å; L64-Q68 PolarHBondContact O-N 3.29Å; L64-V73 WeakPolarHBondContact O-CG2 3.41Å; L64-W82 HydrophobicContact CB-CD2 3.98Å; L64-W82 HydrophobicContact CB-CE3 4.04Å; L64-W82 HydrophobicContact CB-CH2 3.71Å; L64-W82 HydrophobicContact CB-CZ2 3.64Å; L64-W82 HydrophobicContact CB-CZ3 3.93Å; L64-W82 HydrophobicContact CD1-CD2 3.89Å; L64-W82 HydrophobicContact CD1-CG 3.9Å; L64-W82 HydrophobicContact CD1-CZ2 4.22Å; L64-W82 HydrophobicContact CD2-CD2 4.25Å; L64-W82 HydrophobicContact CD2-CE3 4.44Å; L64-W82 HydrophobicContact CD2-CG 4.36Å; L64-W82 HydrophobicContact CG-CD2 4.27Å
65	T	96.6	Very high	96.4	Very high	38 Å²	38	64.8 Å²	64.8	23%	0.233	33%	0.327	C	S	.	.	H	α-helix	trans	-61.5	-38.4	175	-50	0	0	0	0	111.6	H61 Q68 Q69	H61-T65 PolarHBondContact CE1-OG1 3.28Å; H61-T65 PolarHBondContact ND1-OG1 3.11Å; H61-T65 PolarHBondContact O-N 3.25Å; H61-T65 PolarHBondContact O-OG1 2.95Å; T65-Q68 WeakPolarHBondContact O-CB 3.43Å; T65-Q68 PolarHBondContact O-N 3.14Å; T65-Q69 WeakPolarHBondContact O-CG 3.37Å; T65-Q69 PolarHBondContact O-N 3.11Å
66	T	96.9	Very high	96.3	Very high	71 Å²	71	65.5 Å²	65.5	44%	0.436	33%	0.332	S	S	.	.	H	α-helix	trans	-63.2	-47.2	175	-54.7	0	0	0	0	110.6	R62 L63 L64 Q68 Q69 Q70	R62-T66 WeakPolarHBondContact O-CB 3.42Å; R62-T66 PolarHBondContact O-N 2.97Å; R62-T66 PolarHBondContact O-OG1 3.11Å; L63-T66 WeakPolarHBondContact O-CB 3.29Å; L63-T66 PolarHBondContact O-N 2.95Å; L64-T66 VanDerWaalsContact C-N 3.29Å; L64-T66 PolarHBondContact O-N 3.2Å; T66-Q68 VanDerWaalsContact C-N 3.29Å; T66-Q68 PolarHBondContact O-N 3.02Å; T66-Q69 PolarHBondContact O-N 2.67Å; T66-Q70 WeakPolarHBondContact O-CG 3.32Å; T66-Q70 PolarHBondContact O-N 2.8Å
67	M	97	Very high	96	Very high	23 Å²	23	65.2 Å²	65.2	11%	0.113	34%	0.343	C	S	.	.	H	α-helix	trans	-65.3	-32.5	176.6	-69.6	-170.9	-63.3	0	0	112.7	L33 L34 L63 L64 Q70 G71 F72 V73	L33-M67 HydrophobicContact CB-CE 4.04Å; L34-M67 HydrophobicContact CB-SD 4.33Å; L63-M67 WeakPolarHBondContact O-CG 3.1Å; L63-M67 PolarHBondContact O-N 3.37Å; L64-M67 HydrophobicContact CD2-CE 3.72Å; L64-M67 HydrophobicContact CG-CE 4.48Å; L64-M67 CarbonylContact O-C 3.57Å; L64-M67 PolarHBondContact O-N 3.38Å; M67-Q70 CarbonylContact O-C 3.41Å; M67-Q70 PolarHBondContact O-N 2.8Å; M67-G71 PolarHBondContact O-N 3.27Å; M67-F72 HydrophobicContact CB-CB 4.31Å; M67-F72 PolarHBondContact O-N 2.93Å; M67-V73 HydrophobicContact CB-CG1 4.4Å; M67-V73 HydrophobicContact CB-CG2 3.72Å; M67-V73 HydrophobicContact CE-CG1 4.38Å
68	Q	97.2	Very high	95.5	Very high	75 Å²	75	71.2 Å²	71.2	35%	0.35	37%	0.368	S	S	.	.	H	α-helix	trans	-65.8	-43	175.1	-172.3	-177.2	9.8	0	0	111.8	L64 T65 T66 Q70 G71 V73 W82	L64-Q68 WeakPolarHBondContact O-CB 3.13Å; L64-Q68 PolarHBondContact O-N 3.29Å; T65-Q68 WeakPolarHBondContact O-CB 3.43Å; T65-Q68 PolarHBondContact O-N 3.14Å; T66-Q68 VanDerWaalsContact C-N 3.29Å; T66-Q68 PolarHBondContact O-N 3.02Å; Q68-Q70 PolarHBondContact O-N 3.3Å; Q68-G71 WeakPolarHBondContact O-CA 3.46Å; Q68-G71 PolarHBondContact O-N 3.38Å; Q68-V73 WeakPolarHBondContact CA-O 3.36Å; Q68-V73 HydrophobicContact CB-CG2 4.05Å; Q68-W82 HydrophobicContact CB-CZ3 3.99Å; Q68-W82 HydrophobicContact CG-CZ3 4.27Å
69	Q	97	Very high	95.1	Very high	146 Å²	146	73.9 Å²	73.9	68%	0.682	38%	0.375	S	S	*	.	H	α-helix	trans	-61.2	-30.5	174.5	-72.8	171.4	-5.4	0	0	112.1	T65 T66 G71	T65-Q69 WeakPolarHBondContact O-CG 3.37Å; T65-Q69 PolarHBondContact O-N 3.11Å; T66-Q69 PolarHBondContact O-N 2.67Å; Q69-G71 VanDerWaalsContact C-N 3.33Å
70	Q	95.9	Very high	94.9	Very high	120 Å²	120	72.9 Å²	72.9	56%	0.561	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-0.8	173	-57	-56.3	-49.1	0	0	113.2	T66 M67 Q68 F72 H87	T66-Q70 WeakPolarHBondContact O-CG 3.32Å; T66-Q70 PolarHBondContact O-N 2.8Å; M67-Q70 CarbonylContact O-C 3.41Å; M67-Q70 PolarHBondContact O-N 2.8Å; Q68-Q70 PolarHBondContact O-N 3.3Å; Q70-F72 VanDerWaalsContact C-N 3.33Å; Q70-F72 HydrophobicContact CB-CD2 3.77Å; Q70-F72 HydrophobicContact CB-CE2 4.18Å; Q70-F72 PolarHBondContact O-N 2.9Å; Q70-H87 PolarHBondContact O-ND1 2.83Å
71	G	93.4	Very high	94.8	Very high	27 Å²	27	75.7 Å²	75.7	28%	0.278	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	6.3	177.4	0	0	0	0	0	116.4	M67 Q68 Q69 G85 H87	M67-G71 PolarHBondContact O-N 3.27Å; Q68-G71 WeakPolarHBondContact O-CA 3.46Å; Q68-G71 PolarHBondContact O-N 3.38Å; Q69-G71 VanDerWaalsContact C-N 3.33Å; G71-G85 CarbonylContact O-C 3.48Å; G71-G85 WeakPolarHBondContact O-CA 3.36Å; G71-H87 WeakPolarHBondContact O-CB 3.5Å; G71-H87 PolarHBondContact O-N 3.21Å
72	F	96.6	Very high	94.9	Very high	56 Å²	56	72 Å²	72	25%	0.246	37%	0.368	C	S	.	.	S	Bend	trans	-75.6	-26.5	-179.6	-79.7	-89.1	0	0	0	113.4	L34 M67 Q70 G85 H87 A88 V91	L34-F72 HydrophobicContact CD1-CB 4.15Å; L34-F72 HydrophobicContact CD2-CD1 4.06Å; M67-F72 HydrophobicContact CB-CB 4.31Å; M67-F72 PolarHBondContact O-N 2.93Å; Q70-F72 VanDerWaalsContact C-N 3.33Å; Q70-F72 HydrophobicContact CB-CD2 3.77Å; Q70-F72 HydrophobicContact CB-CE2 4.18Å; Q70-F72 PolarHBondContact O-N 2.9Å; F72-G85 PolarHBondContact O-N 3.25Å; F72-H87 AromaticContact CE2-CD2 3.78Å; F72-H87 AromaticContact CZ-CD2 3.81Å; F72-A88 HydrophobicContact CD1-CB 3.91Å; F72-V91 HydrophobicContact CE1-CB 4.28Å; F72-V91 HydrophobicContact CE1-CG2 4.11Å; F72-V91 HydrophobicContact CZ-CB 4.47Å; F72-V91 HydrophobicContact CZ-CG2 3.85Å
73	V	97	Very high	94.8	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.012	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	162	173.9	-59.3	0	0	0	0	109.8	L34 I37 L64 M67 Q68 W82 A83	L34-V73 HydrophobicContact CD1-CG1 3.56Å; I37-V73 HydrophobicContact CD1-CB 4.5Å; I37-V73 HydrophobicContact CD1-CG1 3.71Å; L64-V73 WeakPolarHBondContact O-CG2 3.41Å; M67-V73 HydrophobicContact CB-CG1 4.4Å; M67-V73 HydrophobicContact CB-CG2 3.72Å; M67-V73 HydrophobicContact CE-CG1 4.38Å; Q68-V73 WeakPolarHBondContact CA-O 3.36Å; Q68-V73 HydrophobicContact CB-CG2 4.05Å; V73-W82 HydrophobicContact CB-CE3 4.26Å; V73-W82 HydrophobicContact CG2-CE3 3.8Å; V73-W82 HydrophobicContact CG2-CZ3 3.85Å; V73-A83 CarbonylContact C-O 3.44Å; V73-A83 VanDerWaalsContact CA-O 3.29Å; V73-A83 WeakPolarHBondContact CA-O 3.45Å
74	R	95.9	Very high	94.6	Very high	137 Å²	137	65.7 Å²	65.7	52%	0.517	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	157.5	173.9	64.5	-179	-177.9	113.3	2.6	110.4	V76 W82 A83	R74-V76 HydrophobicContact CG-CG1 4.11Å; R74-W82 WeakPolarHBondContact O-CA 3.43Å; R74-A83 HydrophobicContact CG-CB 4.28Å; R74-A83 PolarHBondContact N-O 3.01Å; R74-A83 PolarHBondContact O-N 3.22Å
75	Q	95.8	Very high	94.4	Very high	86 Å²	86	65.9 Å²	65.9	40%	0.402	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	144	167.4	-71.2	-178.1	-15.5	0	0	110.7	H81 W82	Q75-H81 CarbonylContact C-O 3.55Å; Q75-H81 WeakPolarHBondContact CA-O 3.29Å; Q75-W82 HydrophobicContact CG-CD2 3.99Å; Q75-W82 HydrophobicContact CG-CE3 3.83Å; Q75-W82 HydrophobicContact CG-CH2 3.78Å; Q75-W82 HydrophobicContact CG-CZ2 3.93Å; Q75-W82 HydrophobicContact CG-CZ3 3.71Å
76	V	92.3	Very high	93.9	Very high	31 Å²	31	67.7 Å²	67.7	19%	0.188	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	148.2	179.1	-59.9	0	0	0	0	111.2	S43 R74 H81 A83	S43-V76 VanDerWaalsContact CB-CG2 3.49Å; R74-V76 HydrophobicContact CG-CG1 4.11Å; V76-H81 HydrophobicContact CG2-CB 4.22Å; V76-H81 WeakPolarHBondContact CG2-O 3.21Å; V76-H81 PolarHBondContact N-O 3.4Å; V76-H81 PolarHBondContact O-N 2.81Å; V76-A83 HydrophobicContact CG1-CB 3.91Å; V76-A83 HydrophobicContact CG2-CB 4.03Å
77	G	89.6	Confident	93.5	Very high	72 Å²	72	67.9 Å²	67.9	74%	0.742	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	173.1	-179.5	0	0	0	0	0	113.9	L79 G80	G77-L79 VanDerWaalsContact C-N 3.29Å; G77-L79 PolarHBondContact O-N 3.28Å; G77-G80 PolarHBondContact O-N 2.89Å
78	E	86.4	Confident	93.1	Very high	205 Å²	205	67.8 Å²	67.8	96%	0.958	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-29.8	-178.4	-62.2	-170.1	165	0	0	112.9	G80	E78-G80 VanDerWaalsContact C-N 3.26Å; E78-G80 PolarHBondContact O-N 3.49Å
79	L	88.9	Confident	92.3	Very high	147 Å²	147	71.4 Å²	71.4	77%	0.77	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-2.9	178.4	-60.5	177.7	0	0	0	113.4	G77	G77-L79 VanDerWaalsContact C-N 3.29Å; G77-L79 PolarHBondContact O-N 3.28Å
80	G	91	Very high	91.4	Very high	17 Å²	17	69.5 Å²	69.5	18%	0.175	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	39.6	177.4	0	0	0	0	0	113.9	G77 E78	G77-G80 PolarHBondContact O-N 2.89Å; E78-G80 VanDerWaalsContact C-N 3.26Å; E78-G80 PolarHBondContact O-N 3.49Å
81	H	95.5	Very high	90.9	Very high	60 Å²	60	67.1 Å²	67.1	28%	0.278	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	149.6	175.3	-72.9	-174.5	0	0	0	111	Q75 V76	Q75-H81 CarbonylContact C-O 3.55Å; Q75-H81 WeakPolarHBondContact CA-O 3.29Å; V76-H81 HydrophobicContact CG2-CB 4.22Å; V76-H81 WeakPolarHBondContact CG2-O 3.21Å; V76-H81 PolarHBondContact N-O 3.4Å; V76-H81 PolarHBondContact O-N 2.81Å
82	W	97.4	Very high	90	Very high	3 Å²	3	67.8 Å²	67.8	1%	0.011	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	132.2	-178.1	-64.9	93	0	0	0	110.8	I37 S43 V44 L49 L64 Q68 V73 R74 Q75	I37-W82 HydrophobicContact CD1-CB 4.09Å; S43-W82 CarbonylContact C-O 3.59Å; S43-W82 WeakPolarHBondContact CA-O 3.31Å; S43-W82 WeakPolarHBondContact CB-O 3.42Å; V44-W82 HydrophobicContact CG1-CB 4.48Å; V44-W82 PolarHBondContact N-O 3.07Å; V44-W82 PolarHBondContact O-N 2.93Å; L49-W82 HydrophobicContact CD1-CB 4.16Å; L49-W82 HydrophobicContact CD1-CG 4.38Å; L64-W82 HydrophobicContact CB-CD2 3.98Å; L64-W82 HydrophobicContact CB-CE3 4.04Å; L64-W82 HydrophobicContact CB-CH2 3.71Å; L64-W82 HydrophobicContact CB-CZ2 3.64Å; L64-W82 HydrophobicContact CB-CZ3 3.93Å; L64-W82 HydrophobicContact CD1-CD2 3.89Å; L64-W82 HydrophobicContact CD1-CG 3.9Å; L64-W82 HydrophobicContact CD1-CZ2 4.22Å; L64-W82 HydrophobicContact CD2-CD2 4.25Å; L64-W82 HydrophobicContact CD2-CE3 4.44Å; L64-W82 HydrophobicContact CD2-CG 4.36Å; L64-W82 HydrophobicContact CG-CD2 4.27Å; Q68-W82 HydrophobicContact CB-CZ3 3.99Å; Q68-W82 HydrophobicContact CG-CZ3 4.27Å; V73-W82 HydrophobicContact CB-CE3 4.26Å; V73-W82 HydrophobicContact CG2-CE3 3.8Å; V73-W82 HydrophobicContact CG2-CZ3 3.85Å; R74-W82 WeakPolarHBondContact O-CA 3.43Å; Q75-W82 HydrophobicContact CG-CD2 3.99Å; Q75-W82 HydrophobicContact CG-CE3 3.83Å; Q75-W82 HydrophobicContact CG-CH2 3.78Å; Q75-W82 HydrophobicContact CG-CZ2 3.93Å; Q75-W82 HydrophobicContact CG-CZ3 3.71Å
83	A	95.3	Very high	88.7	Confident	4 Å²	4	66 Å²	66	3%	0.033	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	161.5	175.6	0	0	0	0	0	110.1	G42 V73 R74 V76 G85	G42-A83 VanDerWaalsContact O-CB 3.26Å; G42-A83 WeakPolarHBondContact O-CB 3.46Å; V73-A83 CarbonylContact C-O 3.44Å; V73-A83 VanDerWaalsContact CA-O 3.29Å; V73-A83 WeakPolarHBondContact CA-O 3.45Å; R74-A83 HydrophobicContact CG-CB 4.28Å; R74-A83 PolarHBondContact N-O 3.01Å; R74-A83 PolarHBondContact O-N 3.22Å; V76-A83 HydrophobicContact CG1-CB 3.91Å; V76-A83 HydrophobicContact CG2-CB 4.03Å; A83-G85 PolarHBondContact O-N 2.94Å
84	I	94.2	Very high	87.5	Confident	59 Å²	59	69 Å²	69	30%	0.303	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	134.3	172.9	-61.9	-58.4	0	0	0	110.1	L34 I37 A38 A88	L34-I84 HydrophobicContact CD1-CD1 3.59Å; L34-I84 HydrophobicContact CG-CD1 4.17Å; I37-I84 HydrophobicContact CB-CD1 3.93Å; I37-I84 HydrophobicContact CG2-CD1 3.72Å; I37-I84 HydrophobicContact CG2-CG1 3.95Å; A38-I84 HydrophobicContact CB-CD1 4Å; A38-I84 HydrophobicContact CB-CG1 4.08Å; I84-A88 HydrophobicContact CG2-CB 3.68Å
85	G	92.1	Very high	85.9	Confident	5 Å²	5	68.4 Å²	68.4	5%	0.052	39%	0.392	C	S	.	.			trans	-92.3	157.5	175.1	0	0	0	0	0	111.6	G71 F72 A83 H87 A88	G71-G85 CarbonylContact O-C 3.48Å; G71-G85 WeakPolarHBondContact O-CA 3.36Å; F72-G85 PolarHBondContact O-N 3.25Å; A83-G85 PolarHBondContact O-N 2.94Å; G85-H87 PolarHBondContact O-N 3.44Å; G85-H87 VanDerWaalsContact O-N 3.13Å; G85-A88 WeakPolarHBondContact O-CB 3.31Å; G85-A88 PolarHBondContact O-N 2.85Å; G85-A88 VanDerWaalsContact O-N 3.17Å
86	A	86.5	Confident	84.2	Confident	75 Å²	75	67 Å²	67	62%	0.62	39%	0.387	S	S	*	.	H	α-helix	trans	-61.5	-24.1	-175.5	0	0	0	0	0	113.8	A88 F89 M90	A86-A88 VanDerWaalsContact C-N 3.27Å; A86-A88 PolarHBondContact O-N 2.75Å; A86-F89 WeakPolarHBondContact O-CB 3.48Å; A86-F89 PolarHBondContact O-N 3.26Å; A86-F89 VanDerWaalsContact O-N 3.16Å; A86-M90 PolarHBondContact O-N 2.99Å
87	H	87.9	Confident	82.4	Confident	75 Å²	75	72.5 Å²	72.5	35%	0.347	41%	0.41	S	S	.	.	H	α-helix	trans	-66.1	-31.2	179.4	-153.3	110.3	0	0	0	112.5	Q70 G71 F72 G85 F89 M90 V91	Q70-H87 PolarHBondContact O-ND1 2.83Å; G71-H87 WeakPolarHBondContact O-CB 3.5Å; G71-H87 PolarHBondContact O-N 3.21Å; F72-H87 AromaticContact CE2-CD2 3.78Å; F72-H87 AromaticContact CZ-CD2 3.81Å; G85-H87 PolarHBondContact O-N 3.44Å; G85-H87 VanDerWaalsContact O-N 3.13Å; H87-F89 VanDerWaalsContact C-N 3.31Å; H87-F89 PolarHBondContact O-N 2.85Å; H87-M90 HydrophobicContact CB-CE 3.96Å; H87-M90 PolarHBondContact O-N 2.61Å; H87-V91 WeakPolarHBondContact O-CG2 3.32Å; H87-V91 PolarHBondContact O-N 3.1Å
88	A	89.9	Confident	80.8	Confident	22 Å²	22	73.4 Å²	73.4	18%	0.182	41%	0.405	C	S	.	.	H	α-helix	trans	-61.1	-42.2	173.5	0	0	0	0	0	111.3	F72 I84 G85 A86 G92	F72-A88 HydrophobicContact CD1-CB 3.91Å; I84-A88 HydrophobicContact CG2-CB 3.68Å; G85-A88 WeakPolarHBondContact O-CB 3.31Å; G85-A88 PolarHBondContact O-N 2.85Å; G85-A88 VanDerWaalsContact O-N 3.17Å; A86-A88 VanDerWaalsContact C-N 3.27Å; A86-A88 PolarHBondContact O-N 2.75Å; A88-G92 PolarHBondContact O-N 3.41Å
89	F	79.9	Confident	79.3	Confident	151 Å²	151	69 Å²	69	66%	0.662	38%	0.38	S	S	*	.	H	α-helix	trans	-64.6	-44.7	173.7	174.1	-97.2	0	0	0	111.8	A86 H87 V91 G92 S93	A86-F89 WeakPolarHBondContact O-CB 3.48Å; A86-F89 PolarHBondContact O-N 3.26Å; A86-F89 VanDerWaalsContact O-N 3.16Å; H87-F89 VanDerWaalsContact C-N 3.31Å; H87-F89 PolarHBondContact O-N 2.85Å; F89-V91 PolarHBondContact O-N 2.9Å; F89-G92 PolarHBondContact O-N 3.35Å; F89-S93 WeakPolarHBondContact O-CB 3.48Å; F89-S93 PolarHBondContact O-N 3.28Å; F89-S93 PolarHBondContact O-OG 3.24Å
90	M	78.5	Confident	78.1	Confident	106 Å²	106	66.8 Å²	66.8	52%	0.522	37%	0.369	S	S	.	.	H	α-helix	trans	-58.7	-47.6	179.2	-68.4	-171.4	-68.9	0	0	111.6	A86 H87 S93 S94	A86-M90 PolarHBondContact O-N 2.99Å; H87-M90 HydrophobicContact CB-CE 3.96Å; H87-M90 PolarHBondContact O-N 2.61Å; M90-S93 PolarHBondContact O-N 3.4Å; M90-S93 PolarHBondContact O-OG 3.06Å; M90-S94 PolarHBondContact O-N 3Å
91	V	84	Confident	77	Confident	69 Å²	69	67 Å²	67	42%	0.418	37%	0.365	S	S	.	.	H	α-helix	trans	-64.8	-48.1	177.3	172.9	0	0	0	0	111.2	F72 H87 F89 S93 S94	F72-V91 HydrophobicContact CE1-CB 4.28Å; F72-V91 HydrophobicContact CE1-CG2 4.11Å; F72-V91 HydrophobicContact CZ-CB 4.47Å; F72-V91 HydrophobicContact CZ-CG2 3.85Å; H87-V91 WeakPolarHBondContact O-CG2 3.32Å; H87-V91 PolarHBondContact O-N 3.1Å; F89-V91 PolarHBondContact O-N 2.9Å; V91-S93 VanDerWaalsContact C-N 3.29Å; V91-S93 PolarHBondContact O-N 3.07Å; V91-S94 WeakPolarHBondContact O-CB 3.34Å; V91-S94 PolarHBondContact O-N 3.48Å; V91-S94 PolarHBondContact O-OG 3.09Å
92	G	75.6	Confident	75.9	Confident	42 Å²	42	65.9 Å²	65.9	43%	0.433	36%	0.361	S	S	.	.	H	α-helix	trans	-61.9	-35.7	178.1	0	0	0	0	0	113	A88 F89 S94 F95	A88-G92 PolarHBondContact O-N 3.41Å; F89-G92 PolarHBondContact O-N 3.35Å; G92-S94 PolarHBondContact O-N 3.12Å; G92-F95 WeakPolarHBondContact O-CB 3.2Å; G92-F95 PolarHBondContact O-N 2.84Å; G92-F95 VanDerWaalsContact O-N 3.11Å
93	S	70.2	Confident	74.9	Confident	18 Å²	18	68.9 Å²	68.9	13%	0.126	39%	0.387	C	S	.	.	H	α-helix	trans	-65.3	-23.3	179.4	74.6	0	0	0	0	112.8	F89 M90 V91 F95 L96 Q97	F89-S93 WeakPolarHBondContact O-CB 3.48Å; F89-S93 PolarHBondContact O-N 3.28Å; F89-S93 PolarHBondContact O-OG 3.24Å; M90-S93 PolarHBondContact O-N 3.4Å; M90-S93 PolarHBondContact O-OG 3.06Å; V91-S93 VanDerWaalsContact C-N 3.29Å; V91-S93 PolarHBondContact O-N 3.07Å; S93-F95 PolarHBondContact O-N 3.47Å; S93-L96 CarbonylContact O-C 3.45Å; S93-L96 WeakPolarHBondContact O-CA 3.45Å; S93-L96 WeakPolarHBondContact O-CB 3.23Å; S93-L96 PolarHBondContact O-N 3.48Å; S93-Q97 WeakPolarHBondContact O-CG 3.4Å; S93-Q97 PolarHBondContact O-N 3.45Å
94	S	70.2	Confident	74.2	Confident	66 Å²	66	72.1 Å²	72.1	46%	0.462	40%	0.403	S	S	.	.	H	α-helix	trans	-60.6	-31.8	174.5	73.2	0	0	0	0	112.4	M90 V91 G92 L96 Q97 S98	M90-S94 PolarHBondContact O-N 3Å; V91-S94 WeakPolarHBondContact O-CB 3.34Å; V91-S94 PolarHBondContact O-N 3.48Å; V91-S94 PolarHBondContact O-OG 3.09Å; G92-S94 PolarHBondContact O-N 3.12Å; S94-L96 VanDerWaalsContact C-N 3.25Å; S94-L96 PolarHBondContact O-N 3.02Å; S94-Q97 PolarHBondContact O-N 2.88Å; S94-S98 PolarHBondContact O-N 3.08Å
95	F	63.5	Low	73.8	Confident	124 Å²	124	69.3 Å²	69.3	54%	0.544	39%	0.389	S	S	.	.	H	α-helix	trans	-56.5	-44	172.3	-178.1	-103.4	0	0	0	110.7	G92 S93 S98 V124 I135	G92-F95 WeakPolarHBondContact O-CB 3.2Å; G92-F95 PolarHBondContact O-N 2.84Å; G92-F95 VanDerWaalsContact O-N 3.11Å; S93-F95 PolarHBondContact O-N 3.47Å; F95-S98 PolarHBondContact O-OG 3.23Å; F95-V124 HydrophobicContact CE1-CG1 4.46Å; F95-V124 HydrophobicContact CE1-CG2 4.2Å; F95-V124 HydrophobicContact CZ-CG1 4.49Å; F95-V124 HydrophobicContact CZ-CG2 4.07Å; F95-I135 HydrophobicContact CE1-CG2 4.24Å
96	L	59.5	Low	73.8	Confident	57 Å²	57	71.6 Å²	71.6	30%	0.298	40%	0.398	S	S	.	.	H	α-helix	trans	-77.3	-36.9	179.6	-55.7	173.8	0	0	0	112.6	S93 S94 S98 L102 I135	S93-L96 CarbonylContact O-C 3.45Å; S93-L96 WeakPolarHBondContact O-CA 3.45Å; S93-L96 WeakPolarHBondContact O-CB 3.23Å; S93-L96 PolarHBondContact O-N 3.48Å; S94-L96 VanDerWaalsContact C-N 3.25Å; S94-L96 PolarHBondContact O-N 3.02Å; L96-S98 VanDerWaalsContact C-N 3.33Å; L96-S98 PolarHBondContact O-N 3.14Å; L96-L102 HydrophobicContact CB-CD1 4.27Å; L96-L102 HydrophobicContact CD1-CD1 3.7Å; L96-L102 HydrophobicContact CD2-CD1 3.64Å; L96-L102 HydrophobicContact CD2-CG 4.02Å; L96-L102 HydrophobicContact CG-CD1 4.05Å; L96-I135 HydrophobicContact CD2-CB 4.47Å; L96-I135 HydrophobicContact CD2-CD1 4.47Å
97	Q	55.1	Low	74.1	Confident	146 Å²	146	71.1 Å²	71.1	68%	0.682	39%	0.389	S	S	*	.	H	α-helix	trans	-70	-28.3	-179	-75	-176	-9.3	0	0	113.2	S93 S94 R99	S93-Q97 WeakPolarHBondContact O-CG 3.4Å; S93-Q97 PolarHBondContact O-N 3.45Å; S94-Q97 PolarHBondContact O-N 2.88Å; Q97-R99 PolarHBondContact O-N 2.95Å
98	S	54.8	Low	74.5	Confident	90 Å²	90	68.1 Å²	68.1	63%	0.629	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-19.3	-175.3	68.1	0	0	0	0	113.9	S94 F95 L96	S94-S98 PolarHBondContact O-N 3.08Å; F95-S98 PolarHBondContact O-OG 3.23Å; L96-S98 VanDerWaalsContact C-N 3.33Å; L96-S98 PolarHBondContact O-N 3.14Å
99	R	54.8	Low	74.8	Confident	113 Å²	113	67 Å²	67	43%	0.426	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.4	15.9	179.6	-66.7	-166.2	176.3	-141.6	5.8	117.5	Q97 L101 E230 Y270	Q97-R99 PolarHBondContact O-N 2.95Å; R99-L101 HydrophobicContact CB-CB 4.44Å; R99-L101 PolarHBondContact O-N 3.41Å; R99-E230 IonicContact CZ-OE1 2.68Å; R99-E230 IonicContact CZ-OE2 3.55Å; R99-E230 IonicContact NH1-OE1 3.98Å; R99-E230 PolarHBondContact NH1-OE1 3.33Å; R99-E230 VanDerWaalsContact NH1-OE1 3.13Å; R99-E230 IonicContact NH1-OE2 3.97Å; R99-E230 PolarHBondContact NH1-OE2 2.98Å; R99-E230 IonicContact NH2-OE1 3.44Å; R99-E230 PolarHBondContact NH2-OE1 3.47Å; R99-E230 IonicContact NH2-OE2 2.95Å; R99-Y270 HydrophobicContact CB-CE2 3.99Å; R99-Y270 WeakPolarHBondContact CD-OH 3.32Å; R99-Y270 HydrophobicContact CG-CE2 4.26Å; R99-Y270 PolarHBondContact NE-OH 3.44Å; R99-Y270 PolarHBondContact NH1-OH 2.89Å
100	N	63.6	Low	75.6	Confident	101 Å²	101	65 Å²	65	54%	0.54	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	19.3	-178.5	-152.8	11.7	0	0	0	113.7	L102 A103 I104	N100-L102 PolarHBondContact O-N 3.27Å; N100-A103 PolarHBondContact O-N 3.47Å; N100-A103 VanDerWaalsContact OD1-CB 3.23Å; N100-A103 WeakPolarHBondContact OD1-CB 3.46Å; N100-I104 HydrophobicContact CB-CD1 4.31Å; N100-I104 WeakPolarHBondContact O-CG1 3.49Å; N100-I104 PolarHBondContact O-N 3.34Å
101	L	67.9	Low	76.5	Confident	20 Å²	20	63.6 Å²	63.6	11%	0.105	35%	0.349	C	S	.	.	H	α-helix	trans	-65.9	-46.1	-163.1	174.9	71.6	0	0	0	109.2	R99 A103 I104 V105 M122 F235 Y270	R99-L101 HydrophobicContact CB-CB 4.44Å; R99-L101 PolarHBondContact O-N 3.41Å; L101-A103 PolarHBondContact O-N 2.92Å; L101-I104 PolarHBondContact O-N 2.97Å; L101-V105 HydrophobicContact CD1-CG2 3.55Å; L101-V105 HydrophobicContact CG-CG2 4.04Å; L101-V105 WeakPolarHBondContact O-CB 3.5Å; L101-V105 WeakPolarHBondContact O-CG2 3.42Å; L101-V105 PolarHBondContact O-N 3.42Å; L101-M122 HydrophobicContact CD1-CE 4.32Å; L101-M122 HydrophobicContact CD2-CE 3.58Å; L101-M122 HydrophobicContact CG-CE 4.01Å; L101-F235 HydrophobicContact CD1-CZ 4.29Å; L101-F235 HydrophobicContact CD2-CE2 3.75Å; L101-F235 HydrophobicContact CD2-CZ 4.23Å; L101-Y270 HydrophobicContact CD1-CD2 3.41Å; L101-Y270 VanDerWaalsContact CD1-CD2 3.41Å; L101-Y270 HydrophobicContact CD1-CE2 3.9Å; L101-Y270 HydrophobicContact CD1-CG 4.19Å
102	L	72.9	Confident	77.2	Confident	37 Å²	37	60.5 Å²	60.5	19%	0.194	33%	0.33	C	S	.	.	H	α-helix	trans	-63.3	-40.8	179.7	-66.7	-168.6	0	0	0	112.8	L96 N100 I104 V105 H106 M122 I135 D136	L96-L102 HydrophobicContact CB-CD1 4.27Å; L96-L102 HydrophobicContact CD1-CD1 3.7Å; L96-L102 HydrophobicContact CD2-CD1 3.64Å; L96-L102 HydrophobicContact CD2-CG 4.02Å; L96-L102 HydrophobicContact CG-CD1 4.05Å; N100-L102 PolarHBondContact O-N 3.27Å; L102-I104 VanDerWaalsContact C-N 3.25Å; L102-I104 PolarHBondContact O-N 2.95Å; L102-V105 PolarHBondContact O-N 2.92Å; L102-H106 WeakPolarHBondContact O-CB 3.36Å; L102-H106 PolarHBondContact O-N 3Å; L102-M122 HydrophobicContact CD2-SD 4.45Å; L102-I135 HydrophobicContact CD2-CD1 3.99Å; L102-D136 HydrophobicContact CD2-CB 3.72Å
103	A	76.8	Confident	78.2	Confident	66 Å²	66	59.6 Å²	59.6	55%	0.545	31%	0.314	S	S	.	.	H	α-helix	trans	-64.9	-34.5	-180	0	0	0	0	0	111.9	N100 L101 P107	N100-A103 PolarHBondContact O-N 3.47Å; N100-A103 VanDerWaalsContact OD1-CB 3.23Å; N100-A103 WeakPolarHBondContact OD1-CB 3.46Å; L101-A103 PolarHBondContact O-N 2.92Å; A103-P107 VanDerWaalsContact O-CD 3.31Å; A103-P107 WeakPolarHBondContact O-CD 3.43Å
104	I	79.6	Confident	79.6	Confident	72 Å²	72	64.6 Å²	64.6	37%	0.369	34%	0.336	S	S	.	.	H	α-helix	trans	-77.2	-38.3	177.3	-64.3	169.8	0	0	0	111.1	N100 L101 L102 A269	N100-I104 HydrophobicContact CB-CD1 4.31Å; N100-I104 WeakPolarHBondContact O-CG1 3.49Å; N100-I104 PolarHBondContact O-N 3.34Å; L101-I104 PolarHBondContact O-N 2.97Å; L102-I104 VanDerWaalsContact C-N 3.25Å; L102-I104 PolarHBondContact O-N 2.95Å; I104-A269 HydrophobicContact CG2-CB 3.6Å
105	V	86.8	Confident	80.9	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.006	34%	0.336	C	S	.	.	H	α-helix	trans	-90.5	-30.8	-169.9	173.8	0	0	0	0	113.3	L101 L102 P107 I108 L109 M122 V266	L101-V105 HydrophobicContact CD1-CG2 3.55Å; L101-V105 HydrophobicContact CG-CG2 4.04Å; L101-V105 WeakPolarHBondContact O-CB 3.5Å; L101-V105 WeakPolarHBondContact O-CG2 3.42Å; L101-V105 PolarHBondContact O-N 3.42Å; L102-V105 PolarHBondContact O-N 2.92Å; V105-P107 VanDerWaalsContact C-N 3.35Å; V105-I108 WeakPolarHBondContact O-CA 3.43Å; V105-I108 WeakPolarHBondContact O-CB 3.35Å; V105-I108 PolarHBondContact O-N 3.39Å; V105-L109 HydrophobicContact CG1-CD1 3.91Å; V105-L109 HydrophobicContact CG1-CG 3.95Å; V105-L109 PolarHBondContact O-N 2.89Å; V105-M122 HydrophobicContact CB-SD 4.39Å; V105-M122 HydrophobicContact CG1-CE 4.33Å; V105-M122 HydrophobicContact CG1-SD 3.57Å; V105-M122 VanDerWaalsContact CG1-SD 3.57Å; V105-V266 HydrophobicContact CB-CG1 4.37Å; V105-V266 HydrophobicContact CB-CG2 4.27Å; V105-V266 HydrophobicContact CG1-CB 4.48Å; V105-V266 HydrophobicContact CG1-CG1 4.02Å; V105-V266 HydrophobicContact CG1-CG2 3.59Å; V105-V266 HydrophobicContact CG2-CB 4.22Å; V105-V266 HydrophobicContact CG2-CG1 3.39Å; V105-V266 HydrophobicContact CG2-CG2 3.95Å
106	H	91.6	Very high	82.5	Confident	53 Å²	53	60.5 Å²	60.5	25%	0.245	31%	0.311	C	S	.	.	H	α-helix	trans	-58.1	-38.6	-178.1	-164.8	86.7	0	0	0	113.6	L102 I108 L109 R110 D136	L102-H106 WeakPolarHBondContact O-CB 3.36Å; L102-H106 PolarHBondContact O-N 3Å; H106-I108 VanDerWaalsContact C-N 3.31Å; H106-I108 PolarHBondContact O-N 2.72Å; H106-L109 PolarHBondContact O-N 2.79Å; H106-R110 PolarHBondContact NE2-NH2 2.86Å; H106-R110 WeakPolarHBondContact O-CB 3.2Å; H106-R110 PolarHBondContact O-N 2.77Å; H106-D136 IonicContact CE1-OD1 3.13Å; H106-D136 PolarHBondContact CE1-OD1 3.11Å; H106-D136 IonicContact CE1-OD2 2.99Å; H106-D136 IonicContact CG-OD2 2.77Å; H106-D136 VanDerWaalsContact ND1-CG 3.32Å; H106-D136 IonicContact ND1-OD1 3.44Å; H106-D136 PolarHBondContact ND1-OD1 3.44Å; H106-D136 VanDerWaalsContact ND1-OD1 3.11Å; H106-D136 IonicContact ND1-OD2 3.84Å; H106-D136 PolarHBondContact ND1-OD2 2.77Å
107	P	94.1	Very high	84.3	Confident	65 Å²	65	59 Å²	59	42%	0.422	31%	0.311	S	S	.	.	H	α-helix	trans	-59.1	-38.2	170.2	-25.6	35.9	0	0	0	113.6	A103 V105 R110 N111	A103-P107 VanDerWaalsContact O-CD 3.31Å; A103-P107 WeakPolarHBondContact O-CD 3.43Å; V105-P107 VanDerWaalsContact C-N 3.35Å; P107-R110 PolarHBondContact O-N 3.21Å; P107-N111 PolarHBondContact O-N 2.99Å
108	I	95.6	Very high	86.3	Confident	11 Å²	11	52.2 Å²	52.2	6%	0.056	28%	0.279	C	S	.	.	H	α-helix	trans	-68.5	-42.8	178	-58.6	166.2	0	0	0	110.3	V105 H106 R110 N111 L112 A262 E265 V266 A269	V105-I108 WeakPolarHBondContact O-CA 3.43Å; V105-I108 WeakPolarHBondContact O-CB 3.35Å; V105-I108 PolarHBondContact O-N 3.39Å; H106-I108 VanDerWaalsContact C-N 3.31Å; H106-I108 PolarHBondContact O-N 2.72Å; I108-R110 VanDerWaalsContact C-N 3.28Å; I108-R110 PolarHBondContact O-N 2.91Å; I108-N111 PolarHBondContact O-N 3.38Å; I108-L112 WeakPolarHBondContact O-CB 3.46Å; I108-L112 PolarHBondContact O-N 3.46Å; I108-A262 HydrophobicContact CG2-CB 4.15Å; I108-E265 HydrophobicContact CD1-CB 4.31Å; I108-E265 HydrophobicContact CD1-CG 3.77Å; I108-E265 HydrophobicContact CG1-CG 4.22Å; I108-E265 HydrophobicContact CG2-CB 4.38Å; I108-E265 HydrophobicContact CG2-CG 4.5Å; I108-V266 HydrophobicContact CB-CG2 4.08Å; I108-V266 HydrophobicContact CD1-CG2 3.64Å; I108-V266 HydrophobicContact CG1-CG2 4.46Å; I108-V266 HydrophobicContact CG2-CG2 3.88Å; I108-A269 HydrophobicContact CD1-CB 4.48Å
109	L	95.9	Very high	88.4	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.3	-39.7	174.1	-65.5	166	0	0	0	111.4	V105 H106 L112 M113 V120 M122 D136 V138 I238	V105-L109 HydrophobicContact CG1-CD1 3.91Å; V105-L109 HydrophobicContact CG1-CG 3.95Å; V105-L109 PolarHBondContact O-N 2.89Å; H106-L109 PolarHBondContact O-N 2.79Å; L109-L112 PolarHBondContact O-N 2.75Å; L109-M113 PolarHBondContact O-N 2.95Å; L109-V120 HydrophobicContact CB-CG1 4.28Å; L109-V120 HydrophobicContact CD2-CG1 3.48Å; L109-V120 VanDerWaalsContact CD2-CG1 3.48Å; L109-V120 HydrophobicContact CG-CG1 4.5Å; L109-M122 HydrophobicContact CD1-CB 4Å; L109-M122 HydrophobicContact CD1-SD 4.4Å; L109-M122 HydrophobicContact CD2-CB 4.09Å; L109-D136 HydrophobicContact CD1-CB 4Å; L109-D136 WeakPolarHBondContact CD1-OD2 3.31Å; L109-V138 HydrophobicContact CB-CG2 3.75Å; L109-I238 HydrophobicContact CD2-CD1 4.35Å; L109-I238 HydrophobicContact CD2-CG1 4.26Å; L109-I238 HydrophobicContact CD2-CG2 3.85Å
110	R	96.9	Very high	90.4	Very high	108 Å²	108	42.6 Å²	42.6	41%	0.408	23%	0.228	S	C	.	.	H	α-helix	trans	-65.6	-48.6	177.7	-177.1	176.5	-59.1	-80.4	-9.4	112	H106 P107 I108 L112 M113 E114 V138	H106-R110 PolarHBondContact NE2-NH2 2.86Å; H106-R110 WeakPolarHBondContact O-CB 3.2Å; H106-R110 PolarHBondContact O-N 2.77Å; P107-R110 PolarHBondContact O-N 3.21Å; I108-R110 VanDerWaalsContact C-N 3.28Å; I108-R110 PolarHBondContact O-N 2.91Å; R110-L112 VanDerWaalsContact C-N 3.26Å; R110-L112 PolarHBondContact O-N 2.9Å; R110-M113 PolarHBondContact O-N 3.4Å; R110-M113 VanDerWaalsContact O-N 3.14Å; R110-E114 WeakPolarHBondContact CG-OE1 3.42Å; R110-E114 WeakPolarHBondContact O-CG 3.37Å; R110-E114 PolarHBondContact O-N 3.25Å; R110-V138 HydrophobicContact CB-CG2 4.49Å
111	N	97.5	Very high	92	Very high	77 Å²	77	37.8 Å²	37.8	41%	0.412	20%	0.203	S	C	.	.	H	α-helix	trans	-59	-40.7	175.4	-70.4	-8.6	0	0	0	111	P107 I108 M113 E114 E115	P107-N111 PolarHBondContact O-N 2.99Å; I108-N111 PolarHBondContact O-N 3.38Å; N111-M113 PolarHBondContact O-N 2.9Å; N111-E114 PolarHBondContact O-N 3.42Å; N111-E115 WeakPolarHBondContact O-CB 3.39Å; N111-E115 WeakPolarHBondContact O-CG 3.42Å; N111-E115 PolarHBondContact O-N 2.85Å
112	L	98.2	Very high	93.3	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-64.2	-39	176.5	-173.6	61.6	0	0	0	112.5	I108 L109 R110 S116 V120 I238 I240 M258 V259 A262	I108-L112 WeakPolarHBondContact O-CB 3.46Å; I108-L112 PolarHBondContact O-N 3.46Å; L109-L112 PolarHBondContact O-N 2.75Å; R110-L112 VanDerWaalsContact C-N 3.26Å; R110-L112 PolarHBondContact O-N 2.9Å; L112-S116 VanDerWaalsContact O-CB 3.23Å; L112-S116 WeakPolarHBondContact O-CB 3.27Å; L112-S116 PolarHBondContact O-N 2.98Å; L112-S116 PolarHBondContact O-OG 3.43Å; L112-V120 HydrophobicContact CB-CG1 4.48Å; L112-V120 HydrophobicContact CB-CG2 4.06Å; L112-V120 HydrophobicContact CD2-CG1 3.76Å; L112-V120 HydrophobicContact CD2-CG2 4.03Å; L112-V120 HydrophobicContact CG-CG1 4.36Å; L112-V120 HydrophobicContact CG-CG2 3.81Å; L112-I238 HydrophobicContact CD2-CG2 3.58Å; L112-I240 HydrophobicContact CD1-CD1 3.89Å; L112-I240 HydrophobicContact CD1-CG1 4.47Å; L112-I240 HydrophobicContact CD2-CD1 4.39Å; L112-I240 HydrophobicContact CD2-CG1 4.14Å; L112-I240 HydrophobicContact CG-CD1 4.1Å; L112-I240 HydrophobicContact CG-CG1 4.15Å; L112-M258 HydrophobicContact CD1-CB 3.71Å; L112-V259 HydrophobicContact CD2-CG1 4.47Å; L112-A262 HydrophobicContact CB-CB 4.46Å; L112-A262 HydrophobicContact CD1-CB 4.16Å; L112-A262 HydrophobicContact CD2-CB 3.64Å; L112-A262 HydrophobicContact CG-CB 4.31Å
113	M	97.9	Very high	94.3	Very high	22 Å²	22	35.2 Å²	35.2	11%	0.108	19%	0.19	C	C	.	.	H	α-helix	trans	-65	-42.4	174.9	-179.2	-78.4	-63.8	0	0	110.8	L109 R110 N111 G117 E118 V120 V138 C140	L109-M113 PolarHBondContact O-N 2.95Å; R110-M113 PolarHBondContact O-N 3.4Å; R110-M113 VanDerWaalsContact O-N 3.14Å; N111-M113 PolarHBondContact O-N 2.9Å; M113-G117 VanDerWaalsContact O-CA 3.31Å; M113-G117 WeakPolarHBondContact O-CA 3.39Å; M113-G117 PolarHBondContact O-N 3.5Å; M113-E118 WeakPolarHBondContact CG-O 3.41Å; M113-V120 HydrophobicContact CB-CB 4.4Å; M113-V120 HydrophobicContact CB-CG2 3.85Å; M113-V138 HydrophobicContact CB-CB 4.09Å; M113-V138 HydrophobicContact CB-CG1 3.78Å; M113-V138 HydrophobicContact CE-CG1 3.65Å; M113-V138 HydrophobicContact CG-CB 4.37Å; M113-V138 HydrophobicContact CG-CG1 3.83Å; M113-C140 HydrophobicContact CG-CB 4.43Å; M113-C140 HydrophobicContact SD-CB 4.37Å
114	E	97.8	Very high	95.1	Very high	124 Å²	124	32.7 Å²	32.7	58%	0.579	17%	0.167	S	C	*	.	H	α-helix	trans	-66.1	-42.4	177.5	-70.6	173	-170.7	0	0	112.3	R110 N111	R110-E114 WeakPolarHBondContact CG-OE1 3.42Å; R110-E114 WeakPolarHBondContact O-CG 3.37Å; R110-E114 PolarHBondContact O-N 3.25Å; N111-E114 PolarHBondContact O-N 3.42Å
115	E	97.5	Very high	95.6	Very high	98 Å²	98	30.7 Å²	30.7	46%	0.458	16%	0.157	S	C	.	.	H	α-helix	trans	-67.5	-41.8	177	-74.8	-176.8	-173	0	0	111.9	N111 K261	N111-E115 WeakPolarHBondContact O-CB 3.39Å; N111-E115 WeakPolarHBondContact O-CG 3.42Å; N111-E115 PolarHBondContact O-N 2.85Å; E115-K261 IonicContact OE1-NZ 2.69Å; E115-K261 PolarHBondContact OE1-NZ 3.37Å; E115-K261 IonicContact OE2-NZ 3.6Å; E115-K261 PolarHBondContact OE2-NZ 2.92Å
116	S	97.5	Very high	95.5	Very high	5 Å²	5	32.9 Å²	32.9	4%	0.035	17%	0.169	C	C	.	.	H	α-helix	trans	-86.1	-28.5	-175.3	64.9	0	0	0	0	114.2	L112 E118	L112-S116 VanDerWaalsContact O-CB 3.23Å; L112-S116 WeakPolarHBondContact O-CB 3.27Å; L112-S116 PolarHBondContact O-N 2.98Å; L112-S116 PolarHBondContact O-OG 3.43Å; S116-E118 PolarHBondContact O-N 2.82Å; S116-E118 PolarHBondContact OG-N 3.03Å
117	G	97.2	Very high	94.8	Very high	27 Å²	27	36.4 Å²	36.4	28%	0.278	19%	0.186	S	C	.	.	S	Bend	trans	75.7	3.2	-170.5	0	0	0	0	0	114.6	M113 C140 H142	M113-G117 VanDerWaalsContact O-CA 3.31Å; M113-G117 WeakPolarHBondContact O-CA 3.39Å; M113-G117 PolarHBondContact O-N 3.5Å; G117-C140 WeakPolarHBondContact O-CB 3.17Å; G117-H142 PolarHBondContact O-CD2 3.05Å
118	E	98	Very high	93.8	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.014	19%	0.194	C	C	.	.	S	Bend	trans	-119.3	163.2	-173.5	-66.1	-57.1	162.2	0	0	112.6	M113 S116 V120 I240 R246 I247 F255	M113-E118 WeakPolarHBondContact CG-O 3.41Å; S116-E118 PolarHBondContact O-N 2.82Å; S116-E118 PolarHBondContact OG-N 3.03Å; E118-V120 PolarHBondContact O-N 3.03Å; E118-I240 HydrophobicContact CB-CG2 3.74Å; E118-I240 HydrophobicContact CG-CG2 4.39Å; E118-R246 VanDerWaalsContact OE1-CB 3.26Å; E118-R246 WeakPolarHBondContact OE1-CB 3.44Å; E118-R246 WeakPolarHBondContact OE1-CD 3.45Å; E118-R246 IonicContact OE1-CZ 2.8Å; E118-R246 IonicContact OE1-NE 3.23Å; E118-R246 PolarHBondContact OE1-NE 3.22Å; E118-R246 IonicContact OE1-NH2 3.27Å; E118-R246 PolarHBondContact OE1-NH2 2.66Å; E118-R246 IonicContact OE2-CZ 2.73Å; E118-R246 IonicContact OE2-NE 2.66Å; E118-R246 IonicContact OE2-NH2 2.65Å; E118-R246 PolarHBondContact OE2-NH2 2.69Å; E118-I247 HydrophobicContact CG-CD1 4.41Å; E118-I247 HydrophobicContact CG-CG1 4.37Å; E118-F255 HydrophobicContact CG-CZ 4.35Å
119	T	98	Very high	92.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	130	-179.9	-66	0	0	0	0	109.9	Q137 C140 M146 S241	T119-Q137 HydrophobicContact CG2-CG 3.88Å; T119-C140 PolarHBondContact OG1-N 3.47Å; T119-M146 HydrophobicContact CG2-SD 4.21Å; T119-M146 PolarHBondContact OG1-O 3.33Å; T119-S241 PolarHBondContact N-O 3.36Å; T119-S241 PolarHBondContact O-N 2.97Å
120	V	97.9	Very high	92	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133.9	175.8	-179.8	0	0	0	0	109.8	L109 L112 M113 E118 Q137 V138 I238 S239 I240	L109-V120 HydrophobicContact CB-CG1 4.28Å; L109-V120 HydrophobicContact CD2-CG1 3.48Å; L109-V120 VanDerWaalsContact CD2-CG1 3.48Å; L109-V120 HydrophobicContact CG-CG1 4.5Å; L112-V120 HydrophobicContact CB-CG1 4.48Å; L112-V120 HydrophobicContact CB-CG2 4.06Å; L112-V120 HydrophobicContact CD2-CG1 3.76Å; L112-V120 HydrophobicContact CD2-CG2 4.03Å; L112-V120 HydrophobicContact CG-CG1 4.36Å; L112-V120 HydrophobicContact CG-CG2 3.81Å; M113-V120 HydrophobicContact CB-CB 4.4Å; M113-V120 HydrophobicContact CB-CG2 3.85Å; E118-V120 PolarHBondContact O-N 3.03Å; V120-Q137 WeakPolarHBondContact O-CA 3.48Å; V120-V138 PolarHBondContact N-O 2.65Å; V120-V138 PolarHBondContact O-N 3.26Å; V120-I238 HydrophobicContact CG1-CG2 3.81Å; V120-S239 CarbonylContact C-O 3.4Å; V120-S239 VanDerWaalsContact CA-O 3.28Å; V120-S239 WeakPolarHBondContact CA-O 3.26Å; V120-I240 HydrophobicContact CG2-CG1 4.14Å
121	N	96.7	Very high	91.6	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	148.3	177.4	-58.4	-81.9	0	0	0	110.6	Q137 M146 I238 S239 S241	N121-Q137 WeakPolarHBondContact OD1-CG 3.49Å; N121-Q137 PolarHBondContact OD1-NE2 3.06Å; N121-M146 WeakPolarHBondContact ND2-CE 3.43Å; N121-I238 CarbonylContact O-C 3.44Å; N121-I238 WeakPolarHBondContact O-CA 3.26Å; N121-S239 PolarHBondContact N-O 3.35Å; N121-S239 PolarHBondContact O-N 2.84Å; N121-S241 PolarHBondContact ND2-OG 3.29Å
122	M	94.9	Very high	91.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.1	164.2	-174.1	176.6	178.3	0	0	109	L101 L102 V105 L109 I134 I135 D136 I227 A236 A237	L101-M122 HydrophobicContact CD1-CE 4.32Å; L101-M122 HydrophobicContact CD2-CE 3.58Å; L101-M122 HydrophobicContact CG-CE 4.01Å; L102-M122 HydrophobicContact CD2-SD 4.45Å; V105-M122 HydrophobicContact CB-SD 4.39Å; V105-M122 HydrophobicContact CG1-CE 4.33Å; V105-M122 HydrophobicContact CG1-SD 3.57Å; V105-M122 VanDerWaalsContact CG1-SD 3.57Å; L109-M122 HydrophobicContact CD1-CB 4Å; L109-M122 HydrophobicContact CD1-SD 4.4Å; L109-M122 HydrophobicContact CD2-CB 4.09Å; M122-I134 WeakPolarHBondContact O-CA 3.32Å; M122-I135 HydrophobicContact CB-CG1 4.44Å; M122-I135 HydrophobicContact CE-CD1 4.18Å; M122-I135 HydrophobicContact CG-CD1 4.36Å; M122-I135 HydrophobicContact CG-CG1 4.17Å; M122-I135 PolarHBondContact O-N 3.44Å; M122-I135 HydrophobicContact SD-CD1 4.18Å; M122-D136 HydrophobicContact CB-CB 4.15Å; M122-D136 PolarHBondContact N-O 3.43Å; M122-D136 PolarHBondContact O-N 2.88Å; M122-I227 HydrophobicContact CE-CD1 3.71Å; M122-A236 HydrophobicContact CE-CB 3.81Å; M122-A237 WeakPolarHBondContact CA-O 3.19Å
123	A	94.6	Very high	91.1	Very high	2 Å²	2	37.6 Å²	37.6	2%	0.017	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	143	175.9	0	0	0	0	0	111.1	A132 I133 L154 A161 A236 A237	A123-A132 HydrophobicContact CB-CB 4.38Å; A123-I133 CarbonylContact C-O 3.53Å; A123-I133 WeakPolarHBondContact CA-O 3.16Å; A123-I133 WeakPolarHBondContact CB-O 3.26Å; A123-L154 HydrophobicContact CB-CD1 4.16Å; A123-A161 HydrophobicContact CB-CB 4.12Å; A123-A236 CarbonylContact O-C 2.86Å; A123-A236 WeakPolarHBondContact O-CA 3.32Å; A123-A236 WeakPolarHBondContact O-CB 3.24Å; A123-A237 PolarHBondContact N-O 2.68Å; A123-A237 PolarHBondContact O-N 3.19Å
124	V	92.6	Very high	90.9	Very high	13 Å²	13	36.5 Å²	36.5	8%	0.079	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	151.3	169.8	-65.1	0	0	0	0	110.4	F95 A132 I133 I135 F235 A236	F95-V124 HydrophobicContact CE1-CG1 4.46Å; F95-V124 HydrophobicContact CE1-CG2 4.2Å; F95-V124 HydrophobicContact CZ-CG1 4.49Å; F95-V124 HydrophobicContact CZ-CG2 4.07Å; V124-A132 WeakPolarHBondContact O-CA 3.4Å; V124-I133 HydrophobicContact CG2-CB 4.21Å; V124-I133 PolarHBondContact N-O 2.94Å; V124-I133 PolarHBondContact O-N 2.88Å; V124-I135 HydrophobicContact CB-CG2 4.45Å; V124-I135 HydrophobicContact CG1-CD1 3.45Å; V124-I135 VanDerWaalsContact CG1-CD1 3.45Å; V124-I135 HydrophobicContact CG1-CG1 3.95Å; V124-I135 HydrophobicContact CG1-CG2 4.08Å; V124-I135 HydrophobicContact CG2-CG2 3.64Å; V124-F235 WeakPolarHBondContact CA-O 3.44Å; V124-A236 HydrophobicContact CG1-CB 4.28Å
125	L	90.4	Very high	90.6	Very high	30 Å²	30	31.5 Å²	31.5	16%	0.157	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	114	171.4	-179.2	62.1	0	0	0	109.5	Q127 M156 F165 F235	L125-Q127 PolarHBondContact O-N 2.81Å; L125-M156 HydrophobicContact CD1-CE 3.78Å; L125-M156 HydrophobicContact CD1-SD 4.37Å; L125-F165 HydrophobicContact CB-CD1 3.97Å; L125-F165 HydrophobicContact CB-CD2 4.37Å; L125-F165 HydrophobicContact CB-CE1 3.75Å; L125-F165 HydrophobicContact CB-CE2 4.16Å; L125-F165 HydrophobicContact CB-CG 4.29Å; L125-F165 HydrophobicContact CB-CZ 3.84Å; L125-F165 HydrophobicContact CD1-CB 4.34Å; L125-F165 HydrophobicContact CD1-CD2 4.17Å; L125-F165 HydrophobicContact CD1-CG 4.14Å; L125-F165 HydrophobicContact CD2-CD1 4.16Å; L125-F165 HydrophobicContact CD2-CG 4.4Å; L125-F165 HydrophobicContact CG-CD1 4.47Å; L125-F235 PolarHBondContact N-O 3.17Å
126	D	85.8	Confident	90.3	Very high	47 Å²	47	27.5 Å²	27.5	25%	0.251	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	105	163.4	-176.3	-12.9	0	0	0	108.7	S128 H130 E131 I133	D126-S128 PolarHBondContact O-N 3.4Å; D126-S128 WeakPolarHBondContact OD1-CB 3.11Å; D126-S128 PolarHBondContact OD1-N 3.07Å; D126-S128 PolarHBondContact OD1-OG 2.73Å; D126-S128 PolarHBondContact OD2-OG 2.69Å; D126-H130 WeakPolarHBondContact O-CA 3.49Å; D126-H130 PolarHBondContact O-N 3.33Å; D126-E131 PolarHBondContact N-O 3.29Å; D126-E131 PolarHBondContact O-N 3.31Å; D126-I133 HydrophobicContact CB-CD1 3.93Å
127	Q	76.8	Confident	90.1	Very high	128 Å²	128	28.4 Å²	28.4	60%	0.598	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-24.7	-178.9	-66.1	-170.1	-10.2	0	0	113.4	L125 H130	L125-Q127 PolarHBondContact O-N 2.81Å; Q127-H130 PolarHBondContact O-CE1 2.8Å; Q127-H130 VanDerWaalsContact O-CE1 3.28Å; Q127-H130 PolarHBondContact O-ND1 3.27Å
128	S	72	Confident	90	Very high	85 Å²	85	27.6 Å²	27.6	59%	0.594	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-49.3	-176.3	69.2	0	0	0	0	110.9	D126	D126-S128 PolarHBondContact O-N 3.4Å; D126-S128 WeakPolarHBondContact OD1-CB 3.11Å; D126-S128 PolarHBondContact OD1-N 3.07Å; D126-S128 PolarHBondContact OD1-OG 2.73Å; D126-S128 PolarHBondContact OD2-OG 2.69Å
129	D	71.8	Confident	89.9	Confident	75 Å²	75	31.1 Å²	31.1	40%	0.401	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-6.4	-179.3	-82.9	-38	0	0	0	114.1	E131 R180 K181	D129-E131 HydrophobicContact CB-CG 4.02Å; D129-R180 PolarHBondContact O-NH2 3.48Å; D129-K181 WeakPolarHBondContact O-CE 3.49Å; D129-K181 PolarHBondContact O-NZ 3Å; D129-K181 VanDerWaalsContact O-NZ 3.07Å
130	H	81.8	Confident	89.9	Confident	53 Å²	53	31.4 Å²	31.4	25%	0.245	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	62.7	-170.1	-69.9	51.2	0	0	0	110.2	D126 Q127 M156 L177	D126-H130 WeakPolarHBondContact O-CA 3.49Å; D126-H130 PolarHBondContact O-N 3.33Å; Q127-H130 PolarHBondContact O-CE1 2.8Å; Q127-H130 VanDerWaalsContact O-CE1 3.28Å; Q127-H130 PolarHBondContact O-ND1 3.27Å; H130-M156 WeakPolarHBondContact O-CG 3.45Å; H130-L177 HydrophobicContact CB-CD1 3.54Å; H130-L177 HydrophobicContact CB-CD2 3.96Å; H130-L177 HydrophobicContact CB-CG 4.41Å
131	E	87.9	Confident	89.6	Confident	38 Å²	38	37.8 Å²	37.8	18%	0.178	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143.4	177.4	-67.2	-177.7	173.5	0	0	109.1	D126 D129 K153 K181	D126-E131 PolarHBondContact N-O 3.29Å; D126-E131 PolarHBondContact O-N 3.31Å; D129-E131 HydrophobicContact CB-CG 4.02Å; E131-K153 WeakPolarHBondContact OE2-CD 3.09Å; E131-K153 WeakPolarHBondContact OE2-CE 2.88Å; E131-K153 IonicContact OE2-NZ 3.11Å; E131-K153 PolarHBondContact OE2-NZ 3.15Å; E131-K181 IonicContact OE1-NZ 3.63Å; E131-K181 PolarHBondContact OE1-NZ 3.1Å
132	A	94	Very high	89.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.1	173.4	0	0	0	0	0	108.8	A123 V124 K153 L154 M156 F165	A123-A132 HydrophobicContact CB-CB 4.38Å; V124-A132 WeakPolarHBondContact O-CA 3.4Å; A132-K153 CarbonylContact O-C 3.57Å; A132-K153 WeakPolarHBondContact O-CA 3.22Å; A132-L154 HydrophobicContact CB-CB 3.93Å; A132-L154 PolarHBondContact O-N 3.13Å; A132-M156 HydrophobicContact CB-SD 4Å; A132-F165 HydrophobicContact CB-CD2 4.05Å; A132-F165 HydrophobicContact CB-CE2 3.82Å
133	I	92.7	Very high	89.4	Confident	38 Å²	38	50 Å²	50	20%	0.195	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.8	-176.8	-57.6	174.3	0	0	0	109.1	A123 V124 D126 I135 G152 K153	A123-I133 CarbonylContact C-O 3.53Å; A123-I133 WeakPolarHBondContact CA-O 3.16Å; A123-I133 WeakPolarHBondContact CB-O 3.26Å; V124-I133 HydrophobicContact CG2-CB 4.21Å; V124-I133 PolarHBondContact N-O 2.94Å; V124-I133 PolarHBondContact O-N 2.88Å; D126-I133 HydrophobicContact CB-CD1 3.93Å; I133-I135 PolarHBondContact O-N 2.87Å; I133-G152 WeakPolarHBondContact CA-O 3.49Å; I133-K153 HydrophobicContact CG1-CG 4.47Å
134	I	93.4	Very high	89.2	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	124.6	176.8	-62	173.3	0	0	0	109.2	M122 A148 G151 G152 L154	M122-I134 WeakPolarHBondContact O-CA 3.32Å; I134-A148 HydrophobicContact CD1-CB 3.44Å; I134-A148 VanDerWaalsContact CD1-CB 3.44Å; I134-G151 WeakPolarHBondContact O-CA 3.18Å; I134-G151 PolarHBondContact O-N 3.39Å; I134-G152 PolarHBondContact N-O 3.29Å; I134-L154 HydrophobicContact CD1-CD1 4.13Å; I134-L154 HydrophobicContact CD1-CD2 4.12Å; I134-L154 HydrophobicContact CD1-CG 4.14Å; I134-L154 HydrophobicContact CG1-CD1 3.78Å; I134-L154 HydrophobicContact CG1-CG 4.04Å
135	I	90.4	Very high	89.2	Confident	19 Å²	19	59.7 Å²	59.7	10%	0.097	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-18.9	178.3	59.5	157.4	0	0	0	113.2	F95 L96 L102 M122 V124 I133	F95-I135 HydrophobicContact CE1-CG2 4.24Å; L96-I135 HydrophobicContact CD2-CB 4.47Å; L96-I135 HydrophobicContact CD2-CD1 4.47Å; L102-I135 HydrophobicContact CD2-CD1 3.99Å; M122-I135 HydrophobicContact CB-CG1 4.44Å; M122-I135 HydrophobicContact CE-CD1 4.18Å; M122-I135 HydrophobicContact CG-CD1 4.36Å; M122-I135 HydrophobicContact CG-CG1 4.17Å; M122-I135 PolarHBondContact O-N 3.44Å; M122-I135 HydrophobicContact SD-CD1 4.18Å; V124-I135 HydrophobicContact CB-CG2 4.45Å; V124-I135 HydrophobicContact CG1-CD1 3.45Å; V124-I135 VanDerWaalsContact CG1-CD1 3.45Å; V124-I135 HydrophobicContact CG1-CG1 3.95Å; V124-I135 HydrophobicContact CG1-CG2 4.08Å; V124-I135 HydrophobicContact CG2-CG2 3.64Å; I133-I135 PolarHBondContact O-N 2.87Å
136	D	91.5	Very high	89.3	Confident	13 Å²	13	59.4 Å²	59.4	7%	0.07	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	153.2	177.5	-160.4	-1.2	0	0	0	110.5	L102 H106 L109 M122	L102-D136 HydrophobicContact CD2-CB 3.72Å; H106-D136 IonicContact CE1-OD1 3.13Å; H106-D136 PolarHBondContact CE1-OD1 3.11Å; H106-D136 IonicContact CE1-OD2 2.99Å; H106-D136 IonicContact CG-OD2 2.77Å; H106-D136 VanDerWaalsContact ND1-CG 3.32Å; H106-D136 IonicContact ND1-OD1 3.44Å; H106-D136 PolarHBondContact ND1-OD1 3.44Å; H106-D136 VanDerWaalsContact ND1-OD1 3.11Å; H106-D136 IonicContact ND1-OD2 3.84Å; H106-D136 PolarHBondContact ND1-OD2 2.77Å; L109-D136 HydrophobicContact CD1-CB 4Å; L109-D136 WeakPolarHBondContact CD1-OD2 3.31Å; M122-D136 HydrophobicContact CB-CB 4.15Å; M122-D136 PolarHBondContact N-O 3.43Å; M122-D136 PolarHBondContact O-N 2.88Å
137	Q	94	Very high	89.3	Confident	25 Å²	25	61.5 Å²	61.5	12%	0.117	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	137.7	-179.1	-177.8	179.8	89.1	0	0	110.9	T119 V120 N121 Q139 A148	T119-Q137 HydrophobicContact CG2-CG 3.88Å; V120-Q137 WeakPolarHBondContact O-CA 3.48Å; N121-Q137 WeakPolarHBondContact OD1-CG 3.49Å; N121-Q137 PolarHBondContact OD1-NE2 3.06Å; Q137-Q139 HydrophobicContact CG-CG 4.08Å; Q137-A148 PolarHBondContact NE2-O 3.46Å
138	V	95.9	Very high	89.8	Confident	9 Å²	9	56.2 Å²	56.2	6%	0.055	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	106.9	164.8	-171.7	0	0	0	0	108.1	L109 R110 M113 V120	L109-V138 HydrophobicContact CB-CG2 3.75Å; R110-V138 HydrophobicContact CB-CG2 4.49Å; M113-V138 HydrophobicContact CB-CB 4.09Å; M113-V138 HydrophobicContact CB-CG1 3.78Å; M113-V138 HydrophobicContact CE-CG1 3.65Å; M113-V138 HydrophobicContact CG-CB 4.37Å; M113-V138 HydrophobicContact CG-CG1 3.83Å; V120-V138 PolarHBondContact N-O 2.65Å; V120-V138 PolarHBondContact O-N 3.26Å
139	Q	95.9	Very high	90.5	Very high	78 Å²	78	56.7 Å²	56.7	36%	0.364	30%	0.303	S	S	.	.			trans	-74.1	139.9	179.3	-64.3	-171.6	4.9	0	0	111.1	Q137 R145	Q137-Q139 HydrophobicContact CG-CG 4.08Å; Q139-R145 VanDerWaalsContact OE1-NE 3.1Å
140	C	96	Very high	91.3	Very high	5 Å²	5	58.5 Å²	58.5	3%	0.034	31%	0.311	C	S	.	.			trans	-73.4	165.8	168.4	69.6	0	0	0	0	111.7	M113 G117 T119 H142 R145	M113-C140 HydrophobicContact CG-CB 4.43Å; M113-C140 HydrophobicContact SD-CB 4.37Å; G117-C140 WeakPolarHBondContact O-CB 3.17Å; T119-C140 PolarHBondContact OG1-N 3.47Å; C140-H142 VanDerWaalsContact C-N 3.32Å; C140-H142 PolarHBondContact O-N 2.92Å; C140-R145 VanDerWaalsContact O-CD 3.29Å; C140-R145 WeakPolarHBondContact O-CD 3.39Å; C140-R145 VanDerWaalsContact SG-CB 3.52Å
141	T	93.3	Very high	91.5	Very high	134 Å²	134	58.2 Å²	58.2	82%	0.822	32%	0.323	S	S	*	.	S	Bend	trans	-85.8	-1.6	-176.4	55.6	0	0	0	0	113.7
142	H	94.7	Very high	91.6	Very high	77 Å²	77	57.3 Å²	57.3	36%	0.356	32%	0.323	S	S	.	.			trans	-69.5	144.2	177.9	-67.9	-64.2	0	0	0	112.2	G117 C140 R145	G117-H142 PolarHBondContact O-CD2 3.05Å; C140-H142 VanDerWaalsContact C-N 3.32Å; C140-H142 PolarHBondContact O-N 2.92Å; H142-R145 WeakPolarHBondContact O-CD 3.48Å; H142-R145 PolarHBondContact O-NH1 3.3Å
143	L	91.1	Very high	91.5	Very high	181 Å²	181	63.5 Å²	63.5	95%	0.948	35%	0.35	S	S	*	.	S	Bend	trans	-59.9	-50.8	174.3	-95.2	155.6	0	0	0	111.6
144	M	90.9	Very high	91.5	Very high	120 Å²	120	62.5 Å²	62.5	59%	0.591	35%	0.345	S	S	*	.	S	Bend	trans	-93	109.4	173.6	-170.7	169.6	82.7	0	0	109.3	P243 R246	M144-P243 HydrophobicContact CE-CB 3.75Å; M144-P243 HydrophobicContact CE-CG 4.03Å; M144-R246 PolarHBondContact O-NH1 3.19Å; M144-R246 PolarHBondContact O-NH2 3.22Å
145	R	93.7	Very high	91.6	Very high	98 Å²	98	63.1 Å²	63.1	37%	0.37	35%	0.349	S	S	.	.			trans	-145.7	159.7	-177.3	62.8	-179.1	-179	-93.7	4.5	111	Q139 C140 H142 S147	Q139-R145 VanDerWaalsContact OE1-NE 3.1Å; C140-R145 VanDerWaalsContact O-CD 3.29Å; C140-R145 WeakPolarHBondContact O-CD 3.39Å; C140-R145 VanDerWaalsContact SG-CB 3.52Å; H142-R145 WeakPolarHBondContact O-CD 3.48Å; H142-R145 PolarHBondContact O-NH1 3.3Å; R145-S147 PolarHBondContact O-N 3.36Å
146	M	90.8	Very high	91.8	Very high	24 Å²	24	63.1 Å²	63.1	12%	0.118	35%	0.349	C	S	.	.			trans	-65.6	133.4	166.3	-177.3	-85.2	-155.1	0	0	108.8	T119 N121 A148 L220	T119-M146 HydrophobicContact CG2-SD 4.21Å; T119-M146 PolarHBondContact OG1-O 3.33Å; N121-M146 WeakPolarHBondContact ND2-CE 3.43Å; M146-A148 HydrophobicContact CE-CB 3.63Å; M146-A148 HydrophobicContact SD-CB 4.08Å; M146-L220 HydrophobicContact CB-CD1 3.77Å; M146-L220 HydrophobicContact CG-CD1 3.85Å; M146-L220 HydrophobicContact CG-CD2 4.35Å
147	S	87.4	Confident	92	Very high	92 Å²	92	63.2 Å²	63.2	64%	0.643	35%	0.349	S	S	*	.			trans	-135.9	112.2	175.3	177.8	0	0	0	0	108.6	R145	R145-S147 PolarHBondContact O-N 3.36Å
148	A	86.9	Confident	92.2	Very high	17 Å²	17	62 Å²	62	14%	0.14	34%	0.344	C	S	.	.			trans	-126.7	139.4	169.8	0	0	0	0	0	108.9	I134 Q137 M146	I134-A148 HydrophobicContact CD1-CB 3.44Å; I134-A148 VanDerWaalsContact CD1-CB 3.44Å; Q137-A148 PolarHBondContact NE2-O 3.46Å; M146-A148 HydrophobicContact CE-CB 3.63Å; M146-A148 HydrophobicContact SD-CB 4.08Å
149	P	86.5	Confident	92.2	Very high	95 Å²	95	61.7 Å²	61.7	62%	0.617	34%	0.342	S	S	*	.			trans	-70.7	148	-178.8	29.7	-34.4	0	0	0	111.2	G151 G152	P149-G151 PolarHBondContact O-N 3.31Å; P149-G152 WeakPolarHBondContact O-CA 3.44Å; P149-G152 PolarHBondContact O-N 3.48Å
150	I	89	Confident	92.3	Very high	112 Å²	112	58 Å²	58	57%	0.574	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	136.9	164.2	-62.6	173.6	0	0	0	108.3	G152	I150-G152 VanDerWaalsContact C-N 3.25Å
151	G	85.3	Confident	92.4	Very high	48 Å²	48	57.9 Å²	57.9	50%	0.495	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	-8.6	-168.8	0	0	0	0	0	113.9	I134 P149	I134-G151 WeakPolarHBondContact O-CA 3.18Å; I134-G151 PolarHBondContact O-N 3.39Å; P149-G151 PolarHBondContact O-N 3.31Å
152	G	89.2	Confident	92.5	Very high	18 Å²	18	51.5 Å²	51.5	19%	0.186	29%	0.285	C	S	.	.			trans	-64.4	138.9	176.7	0	0	0	0	0	112.3	I133 I134 P149 I150	I133-G152 WeakPolarHBondContact CA-O 3.49Å; I134-G152 PolarHBondContact N-O 3.29Å; P149-G152 WeakPolarHBondContact O-CA 3.44Å; P149-G152 PolarHBondContact O-N 3.48Å; I150-G152 VanDerWaalsContact C-N 3.25Å
153	K	92.5	Very high	92.7	Very high	130 Å²	130	47.9 Å²	47.9	57%	0.565	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	137	176.2	-64	176.8	171.9	-155.7	0	110.5	E131 A132 I133	E131-K153 WeakPolarHBondContact OE2-CD 3.09Å; E131-K153 WeakPolarHBondContact OE2-CE 2.88Å; E131-K153 IonicContact OE2-NZ 3.11Å; E131-K153 PolarHBondContact OE2-NZ 3.15Å; A132-K153 CarbonylContact O-C 3.57Å; A132-K153 WeakPolarHBondContact O-CA 3.22Å; I133-K153 HydrophobicContact CG1-CG 4.47Å
154	L	93.8	Very high	93	Very high	17 Å²	17	39.3 Å²	39.3	9%	0.089	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.3	176.5	-66.5	174	0	0	0	110.1	A123 A132 I134 M156 A161	A123-L154 HydrophobicContact CB-CD1 4.16Å; A132-L154 HydrophobicContact CB-CB 3.93Å; A132-L154 PolarHBondContact O-N 3.13Å; I134-L154 HydrophobicContact CD1-CD1 4.13Å; I134-L154 HydrophobicContact CD1-CD2 4.12Å; I134-L154 HydrophobicContact CD1-CG 4.14Å; I134-L154 HydrophobicContact CG1-CD1 3.78Å; I134-L154 HydrophobicContact CG1-CG 4.04Å; L154-M156 PolarHBondContact O-N 3.42Å; L154-A161 HydrophobicContact CD1-CB 3.97Å
155	P	93.9	Very high	93.3	Very high	13 Å²	13	33.8 Å²	33.8	8%	0.084	20%	0.196	C	C	.	.			trans	-67.3	133.6	179.2	27.2	-34	0	0	0	111.2	H157 A158 S159 Y186 H216	P155-H157 PolarHBondContact O-N 3.23Å; P155-A158 HydrophobicContact CB-CB 4.14Å; P155-A158 HydrophobicContact CG-CB 3.98Å; P155-S159 VanDerWaalsContact O-CB 3.29Å; P155-S159 WeakPolarHBondContact O-CB 3.16Å; P155-S159 PolarHBondContact O-N 2.93Å; P155-S159 VanDerWaalsContact O-N 3.15Å; P155-S159 PolarHBondContact O-OG 3.48Å; P155-Y186 HydrophobicContact CB-CE2 3.67Å; P155-Y186 WeakPolarHBondContact CB-OH 3.28Å; P155-Y186 HydrophobicContact CG-CE2 4.13Å; P155-H216 VanDerWaalsContact CD-CE1 3.43Å; P155-H216 WeakPolarHBondContact CD-CE1 3.26Å
156	M	95.3	Very high	93.5	Very high	20 Å²	20	29.1 Å²	29.1	10%	0.099	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-40.2	-175.5	-67.8	-57.9	-71	0	0	113.3	L125 H130 A132 L154 G162 K163 F165 L166	L125-M156 HydrophobicContact CD1-CE 3.78Å; L125-M156 HydrophobicContact CD1-SD 4.37Å; H130-M156 WeakPolarHBondContact O-CG 3.45Å; A132-M156 HydrophobicContact CB-SD 4Å; L154-M156 PolarHBondContact O-N 3.42Å; M156-G162 CarbonylContact O-C 3.44Å; M156-G162 VanDerWaalsContact O-CA 3.24Å; M156-G162 WeakPolarHBondContact O-CA 3.36Å; M156-K163 PolarHBondContact O-N 2.95Å; M156-F165 HydrophobicContact CE-CB 3.63Å; M156-F165 HydrophobicContact CE-CD2 4.18Å; M156-F165 HydrophobicContact CE-CG 4.33Å; M156-L166 HydrophobicContact CB-CD1 4.13Å; M156-L166 HydrophobicContact CB-CD2 4.29Å; M156-L166 HydrophobicContact CB-CG 4.23Å; M156-L166 HydrophobicContact CE-CD2 4.09Å; M156-L166 HydrophobicContact CE-CG 4.23Å; M156-L166 VanDerWaalsContact O-CD1 3.23Å; M156-L166 WeakPolarHBondContact O-CD1 3.48Å
157	H	96.3	Very high	93.8	Very high	14 Å²	14	28 Å²	28	7%	0.065	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-10.6	-175.7	67.7	-73.4	0	0	0	114.4	P155 K163 L166 L183 H184 Y186 L197	P155-H157 PolarHBondContact O-N 3.23Å; H157-K163 WeakPolarHBondContact O-CD 3.08Å; H157-L166 HydrophobicContact CB-CD1 4.32Å; H157-L183 HydrophobicContact CB-CD2 3.59Å; H157-L183 VanDerWaalsContact CD2-CD2 3.45Å; H157-L183 WeakPolarHBondContact CD2-CD2 3.44Å; H157-L183 VanDerWaalsContact CG-CD2 3.46Å; H157-H184 PolarHBondContact NE2-N 3.28Å; H157-H184 PolarHBondContact NE2-O 3.09Å; H157-Y186 AromaticContact CE1-CE2 3.6Å; H157-Y186 AromaticContact NE2-CE2 3.83Å; H157-L197 HydrophobicContact CB-CD1 4.35Å; H157-L197 HydrophobicContact CB-CD2 3.64Å
158	A	96.8	Very high	94.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.2	4.1	-171.2	0	0	0	0	0	113.4	P155 Y186 T190 E215 H216	P155-A158 HydrophobicContact CB-CB 4.14Å; P155-A158 HydrophobicContact CG-CB 3.98Å; A158-Y186 HydrophobicContact CB-CD2 3.55Å; A158-Y186 HydrophobicContact CB-CE2 3.77Å; A158-T190 HydrophobicContact CB-CG2 3.91Å; A158-E215 HydrophobicContact CB-CB 4.28Å; A158-H216 VanDerWaalsContact O-CB 3.26Å; A158-H216 WeakPolarHBondContact O-CB 3.42Å; A158-H216 PolarHBondContact O-N 2.79Å; A158-H216 VanDerWaalsContact O-N 3.16Å
159	S	96.9	Very high	94.5	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.021	16%	0.158	C	C	.	.	S	Bend	trans	-119.4	155.1	174.7	71.8	0	0	0	0	111.6	P155 A161 G162 K163	P155-S159 VanDerWaalsContact O-CB 3.29Å; P155-S159 WeakPolarHBondContact O-CB 3.16Å; P155-S159 PolarHBondContact O-N 2.93Å; P155-S159 VanDerWaalsContact O-N 3.15Å; P155-S159 PolarHBondContact O-OG 3.48Å; S159-A161 PolarHBondContact O-N 3.14Å; S159-G162 PolarHBondContact O-N 2.96Å; S159-G162 PolarHBondContact OG-N 3.24Å; S159-K163 WeakPolarHBondContact O-CB 3.42Å; S159-K163 WeakPolarHBondContact O-CG 3.34Å; S159-K163 PolarHBondContact O-N 2.84Å
160	G	97.5	Very high	94.8	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-52.4	-57.7	173.9	0	0	0	0	0	112.2	G162 K163 A164 S210	G160-G162 VanDerWaalsContact C-N 3.35Å; G160-G162 PolarHBondContact O-N 3.42Å; G160-K163 PolarHBondContact O-N 3.4Å; G160-A164 PolarHBondContact O-N 3.4Å; G160-S210 VanDerWaalsContact C-OG 3.28Å; G160-S210 WeakPolarHBondContact O-CB 3.37Å; G160-S210 PolarHBondContact O-OG 2.75Å
161	A	97.6	Very high	95	Very high	2 Å²	2	25.5 Å²	25.5	2%	0.017	15%	0.145	C	C	.	.	H	α-helix	trans	-59.5	-44.4	-179.2	0	0	0	0	0	112.3	A123 L154 S159 K163 A164 F165 A237	A123-A161 HydrophobicContact CB-CB 4.12Å; L154-A161 HydrophobicContact CD1-CB 3.97Å; S159-A161 PolarHBondContact O-N 3.14Å; A161-K163 PolarHBondContact O-N 3.37Å; A161-A164 WeakPolarHBondContact O-CB 3.45Å; A161-A164 PolarHBondContact O-N 2.94Å; A161-F165 WeakPolarHBondContact O-CD2 3.38Å; A161-F165 PolarHBondContact O-N 2.89Å; A161-F165 VanDerWaalsContact O-N 3.1Å; A161-A237 HydrophobicContact CB-CB 4.13Å
162	G	96.9	Very high	95.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-55.8	-51.5	176.4	0	0	0	0	0	112.9	M156 S159 G160 A164 F165 L166	M156-G162 CarbonylContact O-C 3.44Å; M156-G162 VanDerWaalsContact O-CA 3.24Å; M156-G162 WeakPolarHBondContact O-CA 3.36Å; S159-G162 PolarHBondContact O-N 2.96Å; S159-G162 PolarHBondContact OG-N 3.24Å; G160-G162 VanDerWaalsContact C-N 3.35Å; G160-G162 PolarHBondContact O-N 3.42Å; G162-A164 VanDerWaalsContact C-N 3.29Å; G162-A164 PolarHBondContact O-N 3.15Å; G162-F165 WeakPolarHBondContact O-CB 3.17Å; G162-F165 PolarHBondContact O-N 2.89Å; G162-L166 WeakPolarHBondContact O-CG 3.44Å; G162-L166 PolarHBondContact O-N 2.97Å
163	K	98.1	Very high	95.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.3	-31.3	-179.9	-68.6	-163.2	-61.2	172.9	0	112.3	M156 H157 S159 G160 A161 L166 A167 L197 D200 L201 F211 E215	M156-K163 PolarHBondContact O-N 2.95Å; H157-K163 WeakPolarHBondContact O-CD 3.08Å; S159-K163 WeakPolarHBondContact O-CB 3.42Å; S159-K163 WeakPolarHBondContact O-CG 3.34Å; S159-K163 PolarHBondContact O-N 2.84Å; G160-K163 PolarHBondContact O-N 3.4Å; A161-K163 PolarHBondContact O-N 3.37Å; K163-L166 PolarHBondContact O-N 2.98Å; K163-A167 VanDerWaalsContact O-CB 3.29Å; K163-A167 WeakPolarHBondContact O-CB 3.28Å; K163-A167 PolarHBondContact O-N 2.9Å; K163-L197 HydrophobicContact CD-CD1 4.03Å; K163-L197 HydrophobicContact CG-CD1 4.46Å; K163-D200 WeakPolarHBondContact CD-OD2 3.24Å; K163-D200 WeakPolarHBondContact CE-OD2 3.26Å; K163-D200 IonicContact NZ-OD2 2.91Å; K163-D200 PolarHBondContact NZ-OD2 3.39Å; K163-L201 HydrophobicContact CB-CD2 4.06Å; K163-L201 HydrophobicContact CG-CD2 4.44Å; K163-L201 VanDerWaalsContact O-CD2 3.32Å; K163-L201 WeakPolarHBondContact O-CD2 3.21Å; K163-F211 WeakPolarHBondContact CE-O 3.18Å; K163-F211 PolarHBondContact NZ-O 3.47Å; K163-E215 VanDerWaalsContact NZ-CD 3.28Å; K163-E215 IonicContact NZ-OE1 3.01Å; K163-E215 PolarHBondContact NZ-OE1 3.4Å; K163-E215 IonicContact NZ-OE2 3.23Å; K163-E215 PolarHBondContact NZ-OE2 2.96Å
164	A	98.3	Very high	95.7	Very high	2 Å²	2	26.8 Å²	26.8	2%	0.017	14%	0.136	C	C	.	.	H	α-helix	trans	-60.5	-46.5	172.5	0	0	0	0	0	111	G160 A161 G162 A167 A224 C226	G160-A164 PolarHBondContact O-N 3.4Å; A161-A164 WeakPolarHBondContact O-CB 3.45Å; A161-A164 PolarHBondContact O-N 2.94Å; G162-A164 VanDerWaalsContact C-N 3.29Å; G162-A164 PolarHBondContact O-N 3.15Å; A164-A167 PolarHBondContact O-N 2.92Å; A164-A224 HydrophobicContact CB-CB 4.19Å; A164-C226 PolarHBondContact O-SG 3.41Å
165	F	97	Very high	95.7	Very high	3 Å²	3	28.1 Å²	28.1	1%	0.013	14%	0.144	C	C	.	.	H	α-helix	trans	-63.5	-48.1	175.1	-67.4	-55.1	0	0	0	112.3	L125 A132 M156 A161 G162 A167 Q168 P234 A236 A237	L125-F165 HydrophobicContact CB-CD1 3.97Å; L125-F165 HydrophobicContact CB-CD2 4.37Å; L125-F165 HydrophobicContact CB-CE1 3.75Å; L125-F165 HydrophobicContact CB-CE2 4.16Å; L125-F165 HydrophobicContact CB-CG 4.29Å; L125-F165 HydrophobicContact CB-CZ 3.84Å; L125-F165 HydrophobicContact CD1-CB 4.34Å; L125-F165 HydrophobicContact CD1-CD2 4.17Å; L125-F165 HydrophobicContact CD1-CG 4.14Å; L125-F165 HydrophobicContact CD2-CD1 4.16Å; L125-F165 HydrophobicContact CD2-CG 4.4Å; L125-F165 HydrophobicContact CG-CD1 4.47Å; A132-F165 HydrophobicContact CB-CD2 4.05Å; A132-F165 HydrophobicContact CB-CE2 3.82Å; M156-F165 HydrophobicContact CE-CB 3.63Å; M156-F165 HydrophobicContact CE-CD2 4.18Å; M156-F165 HydrophobicContact CE-CG 4.33Å; A161-F165 WeakPolarHBondContact O-CD2 3.38Å; A161-F165 PolarHBondContact O-N 2.89Å; A161-F165 VanDerWaalsContact O-N 3.1Å; G162-F165 WeakPolarHBondContact O-CB 3.17Å; G162-F165 PolarHBondContact O-N 2.89Å; F165-A167 PolarHBondContact O-N 2.77Å; F165-Q168 PolarHBondContact O-N 2.85Å; F165-P234 HydrophobicContact CD1-CB 4.35Å; F165-A236 WeakPolarHBondContact CE1-O 3.23Å; F165-A236 VanDerWaalsContact CZ-C 3.41Å; F165-A237 HydrophobicContact CE1-CB 4.01Å; F165-A237 HydrophobicContact CE2-CB 3.97Å; F165-A237 HydrophobicContact CZ-CB 3.61Å
166	L	96.6	Very high	95.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.1	-33.6	178.5	-68.7	-176.6	0	0	0	112.5	M156 H157 G162 K163 Q168 L169 V174 L177 L197 L201	M156-L166 HydrophobicContact CB-CD1 4.13Å; M156-L166 HydrophobicContact CB-CD2 4.29Å; M156-L166 HydrophobicContact CB-CG 4.23Å; M156-L166 HydrophobicContact CE-CD2 4.09Å; M156-L166 HydrophobicContact CE-CG 4.23Å; M156-L166 VanDerWaalsContact O-CD1 3.23Å; M156-L166 WeakPolarHBondContact O-CD1 3.48Å; H157-L166 HydrophobicContact CB-CD1 4.32Å; G162-L166 WeakPolarHBondContact O-CG 3.44Å; G162-L166 PolarHBondContact O-N 2.97Å; K163-L166 PolarHBondContact O-N 2.98Å; L166-Q168 PolarHBondContact O-N 3.26Å; L166-L169 HydrophobicContact CD2-CD1 4.12Å; L166-L169 WeakPolarHBondContact O-CB 3.42Å; L166-L169 PolarHBondContact O-N 3.39Å; L166-L169 VanDerWaalsContact O-N 3.15Å; L166-V174 WeakPolarHBondContact O-CG2 3.42Å; L166-L177 HydrophobicContact CD2-CD2 3.44Å; L166-L177 VanDerWaalsContact CD2-CD2 3.44Å; L166-L197 HydrophobicContact CD1-CD2 4.47Å; L166-L201 HydrophobicContact CB-CD1 3.74Å; L166-L201 HydrophobicContact CB-CD2 3.69Å; L166-L201 HydrophobicContact CB-CG 4.38Å; L166-L201 HydrophobicContact CD1-CD1 4.42Å
167	A	97.3	Very high	95.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67	-21.6	179.1	0	0	0	0	0	113	K163 A164 F165 L201 T204 R205	K163-A167 VanDerWaalsContact O-CB 3.29Å; K163-A167 WeakPolarHBondContact O-CB 3.28Å; K163-A167 PolarHBondContact O-N 2.9Å; A164-A167 PolarHBondContact O-N 2.92Å; F165-A167 PolarHBondContact O-N 2.77Å; A167-L201 HydrophobicContact CB-CB 4.48Å; A167-L201 HydrophobicContact CB-CD2 4.13Å; A167-T204 HydrophobicContact CB-CG2 3.35Å; A167-R205 HydrophobicContact CB-CG 4.13Å; A167-R205 WeakPolarHBondContact O-CD 3.45Å; A167-R205 WeakPolarHBondContact O-CG 3.27Å; A167-R205 PolarHBondContact O-NH1 2.89Å
168	Q	95.7	Very high	95.1	Very high	67 Å²	67	33.4 Å²	33.4	31%	0.313	17%	0.167	S	C	.	.	H	α-helix	trans	-82.5	-16.2	175	-54.1	-46.3	-53.8	0	0	113.2	F165 L166 C226 F228 P234	F165-Q168 PolarHBondContact O-N 2.85Å; L166-Q168 PolarHBondContact O-N 3.26Å; Q168-C226 HydrophobicContact CG-CB 4.36Å; Q168-F228 HydrophobicContact CG-CE1 4.2Å; Q168-F228 HydrophobicContact CG-CZ 4.28Å; Q168-P234 HydrophobicContact CB-CB 4.34Å; Q168-P234 HydrophobicContact CB-CG 3.68Å; Q168-P234 HydrophobicContact CG-CB 3.92Å; Q168-P234 HydrophobicContact CG-CG 3.83Å
169	L	93.5	Very high	94.8	Very high	29 Å²	29	41.2 Å²	41.2	15%	0.152	20%	0.203	C	C	.	.	S	Bend	trans	-79	150.6	178.2	-60.3	-179.5	0	0	0	111.5	L166 Q173 V174 R205	L166-L169 HydrophobicContact CD2-CD1 4.12Å; L166-L169 WeakPolarHBondContact O-CB 3.42Å; L166-L169 PolarHBondContact O-N 3.39Å; L166-L169 VanDerWaalsContact O-N 3.15Å; L169-Q173 HydrophobicContact CB-CB 3.98Å; L169-Q173 HydrophobicContact CD1-CB 4.43Å; L169-V174 HydrophobicContact CB-CG2 3.8Å; L169-R205 PolarHBondContact O-NH1 2.85Å
170	S	92.7	Very high	94.5	Very high	57 Å²	57	47.9 Å²	47.9	40%	0.399	23%	0.227	S	C	.	.			trans	-62.5	154.9	167.2	65.4	0	0	0	0	111.1	E172 Q173 V174	S170-E172 PolarHBondContact O-N 3.1Å; S170-Q173 PolarHBondContact O-N 3.18Å; S170-Q173 VanDerWaalsContact O-N 3.09Å; S170-Q173 WeakPolarHBondContact OG-CB 3.28Å; S170-Q173 VanDerWaalsContact OG-CG 3.28Å; S170-Q173 WeakPolarHBondContact OG-CG 3.44Å; S170-Q173 PolarHBondContact OG-N 2.96Å; S170-Q173 PolarHBondContact OG-OE1 3.37Å; S170-V174 WeakPolarHBondContact O-CG2 3.45Å; S170-V174 PolarHBondContact O-N 3.24Å
171	E	93	Very high	94.1	Very high	112 Å²	112	52.3 Å²	52.3	52%	0.523	25%	0.246	S	C	.	.	H	α-helix	trans	-59.1	-31.7	178.5	-66.6	-166.1	175.2	0	0	113	T175	E171-T175 WeakPolarHBondContact O-CB 3.35Å; E171-T175 PolarHBondContact O-N 3.4Å; E171-T175 PolarHBondContact O-OG1 3.47Å
172	E	94.2	Very high	93.8	Very high	122 Å²	122	53.9 Å²	53.9	57%	0.57	26%	0.262	S	S	*	.	H	α-helix	trans	-66.5	-46.3	175.5	-168.6	-170.7	157.5	0	0	111.1	S170 T175 K176	S170-E172 PolarHBondContact O-N 3.1Å; E172-T175 PolarHBondContact O-N 3.41Å; E172-K176 WeakPolarHBondContact O-CG 3.44Å; E172-K176 PolarHBondContact O-N 3.04Å; E172-K176 WeakPolarHBondContact OE1-CE 3.33Å; E172-K176 IonicContact OE1-NZ 2.81Å; E172-K176 PolarHBondContact OE1-NZ 3.04Å
173	Q	92.8	Very high	93.7	Very high	99 Å²	99	55.4 Å²	55.4	46%	0.463	27%	0.271	S	S	.	.	H	α-helix	trans	-61.5	-44.9	176.1	-75.3	166	-55.5	0	0	111.6	L169 S170 T175 K176 L177	L169-Q173 HydrophobicContact CB-CB 3.98Å; L169-Q173 HydrophobicContact CD1-CB 4.43Å; S170-Q173 PolarHBondContact O-N 3.18Å; S170-Q173 VanDerWaalsContact O-N 3.09Å; S170-Q173 WeakPolarHBondContact OG-CB 3.28Å; S170-Q173 VanDerWaalsContact OG-CG 3.28Å; S170-Q173 WeakPolarHBondContact OG-CG 3.44Å; S170-Q173 PolarHBondContact OG-N 2.96Å; S170-Q173 PolarHBondContact OG-OE1 3.37Å; Q173-T175 VanDerWaalsContact C-N 3.34Å; Q173-T175 PolarHBondContact O-N 2.82Å; Q173-K176 PolarHBondContact O-N 3.23Å; Q173-L177 WeakPolarHBondContact O-CB 3.14Å; Q173-L177 PolarHBondContact O-N 3.39Å
174	V	94.4	Very high	93.5	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.012	30%	0.297	C	S	.	.	H	α-helix	trans	-57.6	-49.5	174.1	175	0	0	0	0	109.9	L166 L169 S170 K176 L177 L178 L201	L166-V174 WeakPolarHBondContact O-CG2 3.42Å; L169-V174 HydrophobicContact CB-CG2 3.8Å; S170-V174 WeakPolarHBondContact O-CG2 3.45Å; S170-V174 PolarHBondContact O-N 3.24Å; V174-K176 PolarHBondContact O-N 2.93Å; V174-L177 PolarHBondContact O-N 2.92Å; V174-L177 VanDerWaalsContact O-N 3.13Å; V174-L178 HydrophobicContact CG1-CD1 3.84Å; V174-L178 HydrophobicContact CG1-CG 4.02Å; V174-L178 VanDerWaalsContact O-CG 3.27Å; V174-L178 WeakPolarHBondContact O-CG 3.37Å; V174-L178 PolarHBondContact O-N 2.76Å; V174-L201 HydrophobicContact CG1-CD1 3.94Å; V174-L201 HydrophobicContact CG2-CD1 4.13Å
175	T	93.9	Very high	93.5	Very high	44 Å²	44	63.9 Å²	63.9	27%	0.27	32%	0.319	S	S	.	.	H	α-helix	trans	-58	-46.2	-179.1	-56.6	0	0	0	0	112	E171 E172 Q173 L177 L178 H179 K198	E171-T175 WeakPolarHBondContact O-CB 3.35Å; E171-T175 PolarHBondContact O-N 3.4Å; E171-T175 PolarHBondContact O-OG1 3.47Å; E172-T175 PolarHBondContact O-N 3.41Å; Q173-T175 VanDerWaalsContact C-N 3.34Å; Q173-T175 PolarHBondContact O-N 2.82Å; T175-L177 VanDerWaalsContact C-N 3.34Å; T175-L177 PolarHBondContact O-N 3.44Å; T175-L178 PolarHBondContact O-N 3.31Å; T175-H179 PolarHBondContact O-CD2 3.3Å; T175-H179 VanDerWaalsContact O-CD2 3.26Å; T175-H179 PolarHBondContact O-N 3.15Å; T175-K198 VanDerWaalsContact OG1-CE 3.26Å; T175-K198 WeakPolarHBondContact OG1-CE 3.44Å; T175-K198 PolarHBondContact OG1-NZ 2.94Å
176	K	92.3	Very high	93.5	Very high	128 Å²	128	68.4 Å²	68.4	56%	0.557	34%	0.337	S	S	*	.	H	α-helix	trans	-60.6	-43.3	176.5	-73.9	177.2	-175.5	168	0	111.8	E172 Q173 V174 H179 R180	E172-K176 WeakPolarHBondContact O-CG 3.44Å; E172-K176 PolarHBondContact O-N 3.04Å; E172-K176 WeakPolarHBondContact OE1-CE 3.33Å; E172-K176 IonicContact OE1-NZ 2.81Å; E172-K176 PolarHBondContact OE1-NZ 3.04Å; Q173-K176 PolarHBondContact O-N 3.23Å; V174-K176 PolarHBondContact O-N 2.93Å; K176-H179 PolarHBondContact O-N 2.94Å; K176-R180 PolarHBondContact O-N 2.95Å; K176-R180 VanDerWaalsContact O-N 3.16Å
177	L	90.1	Very high	93.6	Very high	11 Å²	11	69.5 Å²	69.5	6%	0.058	34%	0.344	C	S	.	.	H	α-helix	trans	-66.1	-44.3	179.8	-175.8	66.9	0	0	0	111.9	H130 L166 Q173 V174 T175 H179 R180 K181	H130-L177 HydrophobicContact CB-CD1 3.54Å; H130-L177 HydrophobicContact CB-CD2 3.96Å; H130-L177 HydrophobicContact CB-CG 4.41Å; L166-L177 HydrophobicContact CD2-CD2 3.44Å; L166-L177 VanDerWaalsContact CD2-CD2 3.44Å; Q173-L177 WeakPolarHBondContact O-CB 3.14Å; Q173-L177 PolarHBondContact O-N 3.39Å; V174-L177 PolarHBondContact O-N 2.92Å; V174-L177 VanDerWaalsContact O-N 3.13Å; T175-L177 VanDerWaalsContact C-N 3.34Å; T175-L177 PolarHBondContact O-N 3.44Å; L177-H179 VanDerWaalsContact C-N 3.33Å; L177-H179 PolarHBondContact O-N 3.47Å; L177-R180 VanDerWaalsContact CD1-NH2 3.3Å; L177-R180 PolarHBondContact O-N 2.76Å; L177-R180 VanDerWaalsContact O-N 3.1Å; L177-K181 HydrophobicContact CD1-CG 4.05Å; L177-K181 PolarHBondContact O-N 3.14Å
178	L	91.3	Very high	93.6	Very high	20 Å²	20	77.2 Å²	77.2	11%	0.105	38%	0.38	C	S	.	.	H	α-helix	trans	-62.9	-38.6	177.7	-65.6	-174.8	0	0	0	111.8	V174 T175 R180 G182 L183 P194 L197	V174-L178 HydrophobicContact CG1-CD1 3.84Å; V174-L178 HydrophobicContact CG1-CG 4.02Å; V174-L178 VanDerWaalsContact O-CG 3.27Å; V174-L178 WeakPolarHBondContact O-CG 3.37Å; V174-L178 PolarHBondContact O-N 2.76Å; T175-L178 PolarHBondContact O-N 3.31Å; L178-R180 VanDerWaalsContact C-N 3.29Å; L178-R180 PolarHBondContact O-N 3.45Å; L178-G182 VanDerWaalsContact O-CA 3.24Å; L178-G182 WeakPolarHBondContact O-CA 3.06Å; L178-G182 PolarHBondContact O-N 3.18Å; L178-L183 HydrophobicContact CD2-CD2 3.56Å; L178-L183 HydrophobicContact CD2-CG 4.22Å; L178-P194 HydrophobicContact CD1-CB 4.2Å; L178-L197 HydrophobicContact CD1-CD2 3.91Å; L178-L197 HydrophobicContact CD2-CD2 3.8Å; L178-L197 HydrophobicContact CG-CD2 4.46Å
179	H	90.9	Very high	93.7	Very high	164 Å²	164	75.7 Å²	75.7	76%	0.759	38%	0.378	S	S	*	.	H	α-helix	trans	-62.8	-35.6	173	-88.8	-67.6	0	0	0	112.9	T175 K176 L177	T175-H179 PolarHBondContact O-CD2 3.3Å; T175-H179 VanDerWaalsContact O-CD2 3.26Å; T175-H179 PolarHBondContact O-N 3.15Å; K176-H179 PolarHBondContact O-N 2.94Å; L177-H179 VanDerWaalsContact C-N 3.33Å; L177-H179 PolarHBondContact O-N 3.47Å
180	R	89.8	Confident	93.9	Very high	143 Å²	143	74.8 Å²	74.8	54%	0.54	37%	0.374	S	S	.	.	H	α-helix	trans	-77.9	-44.9	-178.4	-174.3	-179.6	70.9	-179.7	5	113	D129 K176 L177 L178	D129-R180 PolarHBondContact O-NH2 3.48Å; K176-R180 PolarHBondContact O-N 2.95Å; K176-R180 VanDerWaalsContact O-N 3.16Å; L177-R180 VanDerWaalsContact CD1-NH2 3.3Å; L177-R180 PolarHBondContact O-N 2.76Å; L177-R180 VanDerWaalsContact O-N 3.1Å; L178-R180 VanDerWaalsContact C-N 3.29Å; L178-R180 PolarHBondContact O-N 3.45Å
181	K	89	Confident	94.1	Very high	94 Å²	94	73.8 Å²	73.8	41%	0.409	36%	0.364	S	S	.	.	H	α-helix	trans	-97.6	-20.4	-172.2	-70.7	-79.7	-168.6	169.2	0	113.2	D129 E131 L177	D129-K181 WeakPolarHBondContact O-CE 3.49Å; D129-K181 PolarHBondContact O-NZ 3Å; D129-K181 VanDerWaalsContact O-NZ 3.07Å; E131-K181 IonicContact OE1-NZ 3.63Å; E131-K181 PolarHBondContact OE1-NZ 3.1Å; L177-K181 HydrophobicContact CD1-CG 4.05Å; L177-K181 PolarHBondContact O-N 3.14Å
182	G	91.9	Very high	94.3	Very high	34 Å²	34	72.3 Å²	72.3	35%	0.351	36%	0.362	S	S	.	.			trans	73.5	-177.3	-173.1	0	0	0	0	0	113	L178	L178-G182 VanDerWaalsContact O-CA 3.24Å; L178-G182 WeakPolarHBondContact O-CA 3.06Å; L178-G182 PolarHBondContact O-N 3.18Å
183	L	94.9	Very high	94.4	Very high	33 Å²	33	68.1 Å²	68.1	17%	0.173	35%	0.347	C	S	.	.			trans	-124.3	81.5	177	-69.8	171.8	0	0	0	108.8	H157 L178 A185 V192 P194 L197	H157-L183 HydrophobicContact CB-CD2 3.59Å; H157-L183 VanDerWaalsContact CD2-CD2 3.45Å; H157-L183 WeakPolarHBondContact CD2-CD2 3.44Å; H157-L183 VanDerWaalsContact CG-CD2 3.46Å; L178-L183 HydrophobicContact CD2-CD2 3.56Å; L178-L183 HydrophobicContact CD2-CG 4.22Å; L183-A185 PolarHBondContact O-N 3.45Å; L183-V192 WeakPolarHBondContact CD1-O 3.11Å; L183-P194 HydrophobicContact CD1-CG 3.85Å; L183-L197 HydrophobicContact CD2-CD2 3.68Å
184	H	94.9	Very high	94.5	Very high	121 Å²	121	66.6 Å²	66.6	56%	0.56	35%	0.345	S	S	*	.			trans	-63.5	135.1	177.8	-174	72.4	0	0	0	110.7	H157 Y186 T190	H157-H184 PolarHBondContact NE2-N 3.28Å; H157-H184 PolarHBondContact NE2-O 3.09Å; H184-Y186 HydrophobicContact CB-CE2 4.11Å; H184-Y186 AromaticContact CD2-CD1 3.73Å; H184-Y186 AromaticContact CD2-CE1 3.61Å; H184-Y186 AromaticContact CD2-CG 3.98Å; H184-Y186 AromaticContact CD2-CZ 3.73Å; H184-Y186 WeakPolarHBondContact O-CD2 3.13Å; H184-Y186 PolarHBondContact O-N 2.91Å; H184-T190 WeakPolarHBondContact O-CG2 3.01Å
185	A	97.3	Very high	94.6	Very high	58 Å²	58	70.7 Å²	70.7	48%	0.479	37%	0.37	S	S	.	.			trans	-85.9	105.7	175.7	0	0	0	0	0	109.4	L183 V192	L183-A185 PolarHBondContact O-N 3.45Å; A185-V192 HydrophobicContact CB-CG1 3.78Å
186	Y	97.1	Very high	94.7	Very high	99 Å²	99	73.6 Å²	73.6	39%	0.388	38%	0.38	S	S	.	.	S	Bend	trans	-85.4	-35.3	176.4	-61.7	-88.9	0	0	0	111.3	P155 H157 A158 H184 T190 E215 H216	P155-Y186 HydrophobicContact CB-CE2 3.67Å; P155-Y186 WeakPolarHBondContact CB-OH 3.28Å; P155-Y186 HydrophobicContact CG-CE2 4.13Å; H157-Y186 AromaticContact CE1-CE2 3.6Å; H157-Y186 AromaticContact NE2-CE2 3.83Å; A158-Y186 HydrophobicContact CB-CD2 3.55Å; A158-Y186 HydrophobicContact CB-CE2 3.77Å; H184-Y186 HydrophobicContact CB-CE2 4.11Å; H184-Y186 AromaticContact CD2-CD1 3.73Å; H184-Y186 AromaticContact CD2-CE1 3.61Å; H184-Y186 AromaticContact CD2-CG 3.98Å; H184-Y186 AromaticContact CD2-CZ 3.73Å; H184-Y186 WeakPolarHBondContact O-CD2 3.13Å; H184-Y186 PolarHBondContact O-N 2.91Å; Y186-T190 HydrophobicContact CD2-CG2 4.2Å; Y186-T190 PolarHBondContact N-OG1 2.95Å; Y186-T190 VanDerWaalsContact N-OG1 3.08Å; Y186-E215 WeakPolarHBondContact CB-O 3.42Å; Y186-H216 WeakPolarHBondContact CB-O 3.18Å
187	T	98	Very high	94.9	Very high	23 Å²	23	67.5 Å²	67.5	14%	0.141	35%	0.354	C	S	.	.	S	Bend	trans	-139.5	178	178.3	75.1	0	0	0	0	110.1	A189 T190 E214 E215 L218	T187-A189 PolarHBondContact O-N 2.66Å; T187-A189 PolarHBondContact OG1-N 2.92Å; T187-A189 VanDerWaalsContact OG1-N 3.08Å; T187-T190 PolarHBondContact N-OG1 3.46Å; T187-T190 PolarHBondContact O-N 3.36Å; T187-T190 PolarHBondContact O-OG1 3.25Å; T187-T190 PolarHBondContact OG1-N 3.37Å; T187-T190 PolarHBondContact OG1-OG1 2.87Å; T187-E214 WeakPolarHBondContact CB-O 3.47Å; T187-E214 WeakPolarHBondContact CG2-O 3.33Å; T187-E214 PolarHBondContact OG1-O 3.09Å; T187-E215 PolarHBondContact OG1-O 3.15Å; T187-L218 HydrophobicContact CG2-CD2 4.03Å; T187-L218 HydrophobicContact CG2-CG 4.08Å
188	H	97.2	Very high	95.3	Very high	162 Å²	162	69.5 Å²	69.5	75%	0.75	36%	0.362	S	S	*	.	S	Bend	trans	-73.1	-14.7	172.5	64.6	-90.4	0	0	0	113.2	L218	H188-L218 WeakPolarHBondContact CE1-CD2 3.48Å
189	A	97.8	Very high	95.6	Very high	35 Å²	35	73.9 Å²	73.9	29%	0.289	38%	0.382	S	S	.	.	S	Bend	trans	-90.2	-16.3	177	0	0	0	0	0	112.7	T187 L191 D213 E214	T187-A189 PolarHBondContact O-N 2.66Å; T187-A189 PolarHBondContact OG1-N 2.92Å; T187-A189 VanDerWaalsContact OG1-N 3.08Å; A189-L191 PolarHBondContact O-N 3.13Å; A189-D213 WeakPolarHBondContact CB-O 3.49Å; A189-E214 HydrophobicContact CB-CB 4.31Å
190	T	98.6	Very high	95.9	Very high	9 Å²	9	67.3 Å²	67.3	6%	0.055	35%	0.353	C	S	.	.	S	Bend	trans	-55	130.4	-178	-48.4	0	0	0	0	112.3	A158 H184 Y186 T187 V192 E215	A158-T190 HydrophobicContact CB-CG2 3.91Å; H184-T190 WeakPolarHBondContact O-CG2 3.01Å; Y186-T190 HydrophobicContact CD2-CG2 4.2Å; Y186-T190 PolarHBondContact N-OG1 2.95Å; Y186-T190 VanDerWaalsContact N-OG1 3.08Å; T187-T190 PolarHBondContact N-OG1 3.46Å; T187-T190 PolarHBondContact O-N 3.36Å; T187-T190 PolarHBondContact O-OG1 3.25Å; T187-T190 PolarHBondContact OG1-N 3.37Å; T187-T190 PolarHBondContact OG1-OG1 2.87Å; T190-V192 HydrophobicContact CG2-CG1 4.27Å; T190-V192 PolarHBondContact O-N 2.98Å; T190-E215 PolarHBondContact OG1-O 3.44Å
191	L	97.6	Very high	96.3	Very high	37 Å²	37	60.6 Å²	60.6	19%	0.194	33%	0.327	C	S	.	.			trans	-71.3	87	176.1	-61.1	178.6	0	0	0	111.8	A189 H196 L197 D200 E215	A189-L191 PolarHBondContact O-N 3.13Å; L191-H196 HydrophobicContact CD2-CB 4.2Å; L191-L197 HydrophobicContact CB-CB 4.28Å; L191-L197 HydrophobicContact CB-CD1 4.37Å; L191-L197 HydrophobicContact CD1-CD1 4.11Å; L191-D200 HydrophobicContact CD1-CB 3.71Å; L191-E215 WeakPolarHBondContact CG-OE2 3.15Å
192	V	96.5	Very high	96.7	Very high	81 Å²	81	57.9 Å²	57.9	49%	0.491	32%	0.323	S	S	.	.			trans	-89.3	-0.6	179.6	-62.7	0	0	0	0	114.5	L183 A185 T190	L183-V192 WeakPolarHBondContact CD1-O 3.11Å; A185-V192 HydrophobicContact CB-CG1 3.78Å; T190-V192 HydrophobicContact CG2-CG1 4.27Å; T190-V192 PolarHBondContact O-N 2.98Å
193	S	95.5	Very high	97	Very high	34 Å²	34	61.2 Å²	61.2	24%	0.238	33%	0.329	C	S	.	.	S	Bend	trans	-98.2	123.5	173.1	171.5	0	0	0	0	109.8	V195 H196 L197	S193-V195 PolarHBondContact O-N 3.45Å; S193-V195 VanDerWaalsContact O-N 3.15Å; S193-V195 PolarHBondContact OG-N 2.89Å; S193-H196 WeakPolarHBondContact CB-ND1 3.29Å; S193-H196 PolarHBondContact O-N 3.1Å; S193-H196 PolarHBondContact OG-N 3.37Å; S193-L197 PolarHBondContact O-N 3.42Å
194	P	95.3	Very high	97.2	Very high	67 Å²	67	59.9 Å²	59.9	44%	0.435	32%	0.322	S	S	.	.	H	α-helix	trans	-56.2	-29.9	173.5	-26	34.3	0	0	0	113.3	L178 L183 K198	L178-P194 HydrophobicContact CD1-CB 4.2Å; L183-P194 HydrophobicContact CD1-CG 3.85Å; P194-K198 WeakPolarHBondContact O-CB 3.49Å; P194-K198 WeakPolarHBondContact O-CG 3.49Å; P194-K198 PolarHBondContact O-N 3.28Å; P194-K198 VanDerWaalsContact O-N 3.1Å
195	V	96.1	Very high	97.3	Very high	87 Å²	87	58 Å²	58	53%	0.527	31%	0.31	S	S	.	.	H	α-helix	trans	-69	-54.2	177.2	177.1	0	0	0	0	110.1	S193 L197 K198 E199	S193-V195 PolarHBondContact O-N 3.45Å; S193-V195 VanDerWaalsContact O-N 3.15Å; S193-V195 PolarHBondContact OG-N 2.89Å; V195-L197 VanDerWaalsContact C-N 3.31Å; V195-L197 PolarHBondContact O-N 3.46Å; V195-K198 PolarHBondContact O-N 3.49Å; V195-K198 VanDerWaalsContact O-N 3.13Å; V195-E199 WeakPolarHBondContact O-CG 3.48Å; V195-E199 PolarHBondContact O-N 3.16Å
196	H	96.8	Very high	97.3	Very high	106 Å²	106	63.8 Å²	63.8	49%	0.491	32%	0.324	S	S	.	.	H	α-helix	trans	-63.2	-38	-179.2	-59.1	157.7	0	0	0	112.1	L191 S193 E199 D200	L191-H196 HydrophobicContact CD2-CB 4.2Å; S193-H196 WeakPolarHBondContact CB-ND1 3.29Å; S193-H196 PolarHBondContact O-N 3.1Å; S193-H196 PolarHBondContact OG-N 3.37Å; H196-E199 IonicContact CD2-OE2 2.96Å; H196-E199 PolarHBondContact O-N 3.45Å; H196-D200 PolarHBondContact O-N 3.06Å
197	L	97.7	Very high	97.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.6	-46.1	174.5	-179.1	62.1	0	0	0	111.1	H157 K163 L166 L178 L183 L191 S193 V195 E199 D200 L201	H157-L197 HydrophobicContact CB-CD1 4.35Å; H157-L197 HydrophobicContact CB-CD2 3.64Å; K163-L197 HydrophobicContact CD-CD1 4.03Å; K163-L197 HydrophobicContact CG-CD1 4.46Å; L166-L197 HydrophobicContact CD1-CD2 4.47Å; L178-L197 HydrophobicContact CD1-CD2 3.91Å; L178-L197 HydrophobicContact CD2-CD2 3.8Å; L178-L197 HydrophobicContact CG-CD2 4.46Å; L183-L197 HydrophobicContact CD2-CD2 3.68Å; L191-L197 HydrophobicContact CB-CB 4.28Å; L191-L197 HydrophobicContact CB-CD1 4.37Å; L191-L197 HydrophobicContact CD1-CD1 4.11Å; S193-L197 PolarHBondContact O-N 3.42Å; V195-L197 VanDerWaalsContact C-N 3.31Å; V195-L197 PolarHBondContact O-N 3.46Å; L197-E199 VanDerWaalsContact C-N 3.28Å; L197-E199 PolarHBondContact O-N 2.9Å; L197-D200 PolarHBondContact O-N 3.46Å; L197-L201 HydrophobicContact CD1-CD2 4.44Å; L197-L201 HydrophobicContact CD1-CG 4.23Å; L197-L201 HydrophobicContact CG-CD1 4.17Å; L197-L201 HydrophobicContact CG-CG 4.3Å; L197-L201 VanDerWaalsContact O-CG 3.24Å; L197-L201 WeakPolarHBondContact O-CG 3.39Å; L197-L201 PolarHBondContact O-N 2.92Å
198	K	97.1	Very high	97.3	Very high	53 Å²	53	62.3 Å²	62.3	23%	0.23	32%	0.32	C	S	.	.	H	α-helix	trans	-61.2	-36.8	177.4	-77.1	175.3	180	-171.4	0	112.5	T175 P194 V195 L201 A202	T175-K198 VanDerWaalsContact OG1-CE 3.26Å; T175-K198 WeakPolarHBondContact OG1-CE 3.44Å; T175-K198 PolarHBondContact OG1-NZ 2.94Å; P194-K198 WeakPolarHBondContact O-CB 3.49Å; P194-K198 WeakPolarHBondContact O-CG 3.49Å; P194-K198 PolarHBondContact O-N 3.28Å; P194-K198 VanDerWaalsContact O-N 3.1Å; V195-K198 PolarHBondContact O-N 3.49Å; V195-K198 VanDerWaalsContact O-N 3.13Å; K198-L201 PolarHBondContact O-N 2.81Å; K198-A202 WeakPolarHBondContact O-CB 3.47Å; K198-A202 PolarHBondContact O-N 3.2Å
199	E	97.6	Very high	97.4	Very high	111 Å²	111	55.7 Å²	55.7	52%	0.519	29%	0.289	S	S	.	.	H	α-helix	trans	-62.7	-47.2	173.9	-71	169.9	169.1	0	0	111.7	V195 H196 L197 L201 A202 Q203	V195-E199 WeakPolarHBondContact O-CG 3.48Å; V195-E199 PolarHBondContact O-N 3.16Å; H196-E199 IonicContact CD2-OE2 2.96Å; H196-E199 PolarHBondContact O-N 3.45Å; L197-E199 VanDerWaalsContact C-N 3.28Å; L197-E199 PolarHBondContact O-N 2.9Å; E199-L201 VanDerWaalsContact C-N 3.35Å; E199-L201 PolarHBondContact O-N 3.03Å; E199-A202 WeakPolarHBondContact O-CB 2.97Å; E199-A202 PolarHBondContact O-N 3.17Å; E199-Q203 PolarHBondContact O-N 3.33Å
200	D	98.1	Very high	97.4	Very high	27 Å²	27	54 Å²	54	14%	0.144	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-38.9	175	178.1	59.8	0	0	0	112.2	K163 L191 H196 L197 A202 Q203 T204 R207	K163-D200 WeakPolarHBondContact CD-OD2 3.24Å; K163-D200 WeakPolarHBondContact CE-OD2 3.26Å; K163-D200 IonicContact NZ-OD2 2.91Å; K163-D200 PolarHBondContact NZ-OD2 3.39Å; L191-D200 HydrophobicContact CD1-CB 3.71Å; H196-D200 PolarHBondContact O-N 3.06Å; L197-D200 PolarHBondContact O-N 3.46Å; D200-A202 VanDerWaalsContact C-N 3.32Å; D200-A202 PolarHBondContact O-N 3.37Å; D200-Q203 PolarHBondContact O-N 3.3Å; D200-T204 VanDerWaalsContact O-CB 3.32Å; D200-T204 WeakPolarHBondContact O-CB 3.5Å; D200-T204 PolarHBondContact O-N 3.48Å; D200-T204 PolarHBondContact O-OG1 3.46Å; D200-R207 IonicContact OD1-NH2 3.42Å; D200-R207 PolarHBondContact OD1-NH2 2.86Å; D200-R207 VanDerWaalsContact OD1-NH2 3.08Å
201	L	98.3	Very high	97.4	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-65	-36.2	175	-65.1	179.8	0	0	0	111.9	K163 L166 A167 V174 L197 K198 E199 T204 R205	K163-L201 HydrophobicContact CB-CD2 4.06Å; K163-L201 HydrophobicContact CG-CD2 4.44Å; K163-L201 VanDerWaalsContact O-CD2 3.32Å; K163-L201 WeakPolarHBondContact O-CD2 3.21Å; L166-L201 HydrophobicContact CB-CD1 3.74Å; L166-L201 HydrophobicContact CB-CD2 3.69Å; L166-L201 HydrophobicContact CB-CG 4.38Å; L166-L201 HydrophobicContact CD1-CD1 4.42Å; A167-L201 HydrophobicContact CB-CB 4.48Å; A167-L201 HydrophobicContact CB-CD2 4.13Å; V174-L201 HydrophobicContact CG1-CD1 3.94Å; V174-L201 HydrophobicContact CG2-CD1 4.13Å; L197-L201 HydrophobicContact CD1-CD2 4.44Å; L197-L201 HydrophobicContact CD1-CG 4.23Å; L197-L201 HydrophobicContact CG-CD1 4.17Å; L197-L201 HydrophobicContact CG-CG 4.3Å; L197-L201 VanDerWaalsContact O-CG 3.24Å; L197-L201 WeakPolarHBondContact O-CG 3.39Å; L197-L201 PolarHBondContact O-N 2.92Å; K198-L201 PolarHBondContact O-N 2.81Å; E199-L201 VanDerWaalsContact C-N 3.35Å; E199-L201 PolarHBondContact O-N 3.03Å; L201-T204 WeakPolarHBondContact O-CB 3.35Å; L201-T204 PolarHBondContact O-N 2.69Å; L201-R205 PolarHBondContact O-N 3.46Å
202	A	97.9	Very high	97.4	Very high	38 Å²	38	53.1 Å²	53.1	31%	0.314	27%	0.269	S	S	.	.	H	α-helix	trans	-65.8	-41.3	173.4	0	0	0	0	0	111.8	K198 E199 D200 T204 R205 K206	K198-A202 WeakPolarHBondContact O-CB 3.47Å; K198-A202 PolarHBondContact O-N 3.2Å; E199-A202 WeakPolarHBondContact O-CB 2.97Å; E199-A202 PolarHBondContact O-N 3.17Å; D200-A202 VanDerWaalsContact C-N 3.32Å; D200-A202 PolarHBondContact O-N 3.37Å; A202-T204 VanDerWaalsContact C-N 3.35Å; A202-R205 PolarHBondContact O-N 3.01Å; A202-K206 PolarHBondContact O-N 2.87Å; A202-K206 VanDerWaalsContact O-N 3.15Å
203	Q	97.9	Very high	97.5	Very high	104 Å²	104	51.7 Å²	51.7	49%	0.486	26%	0.259	S	S	.	.	H	α-helix	trans	-64.8	-40.5	172.6	-64.7	-49.6	-44	0	0	111.8	E199 D200 R205 K206 R207	E199-Q203 PolarHBondContact O-N 3.33Å; D200-Q203 PolarHBondContact O-N 3.3Å; Q203-R205 VanDerWaalsContact C-N 3.34Å; Q203-R205 PolarHBondContact O-N 3.39Å; Q203-K206 PolarHBondContact O-N 3.17Å; Q203-K206 VanDerWaalsContact O-N 3.09Å; Q203-R207 WeakPolarHBondContact O-CG 3.46Å; Q203-R207 PolarHBondContact O-N 2.89Å
204	T	98.3	Very high	97.6	Very high	4 Å²	4	52.1 Å²	52.1	3%	0.025	26%	0.257	C	S	.	.	H	α-helix	trans	-57.9	-44.9	175.5	-66.8	0	0	0	0	111.4	A167 D200 L201 A202 K206 R207 G208 Y209	A167-T204 HydrophobicContact CB-CG2 3.35Å; D200-T204 VanDerWaalsContact O-CB 3.32Å; D200-T204 WeakPolarHBondContact O-CB 3.5Å; D200-T204 PolarHBondContact O-N 3.48Å; D200-T204 PolarHBondContact O-OG1 3.46Å; L201-T204 WeakPolarHBondContact O-CB 3.35Å; L201-T204 PolarHBondContact O-N 2.69Å; A202-T204 VanDerWaalsContact C-N 3.35Å; T204-K206 VanDerWaalsContact C-N 3.34Å; T204-K206 PolarHBondContact O-N 3.31Å; T204-R207 PolarHBondContact OG1-NH2 3.49Å; T204-G208 WeakPolarHBondContact O-CA 3.32Å; T204-G208 PolarHBondContact O-N 2.79Å; T204-Y209 WeakPolarHBondContact CA-O 3.31Å; T204-Y209 WeakPolarHBondContact CG2-O 3.47Å
205	R	97.5	Very high	97.8	Very high	83 Å²	83	49.4 Å²	49.4	31%	0.313	24%	0.239	S	C	.	.	H	α-helix	trans	-58.3	-44	172.7	-77.7	-177.2	-82	-95.2	4.4	112.4	A167 L169 L201 A202 Q203	A167-R205 HydrophobicContact CB-CG 4.13Å; A167-R205 WeakPolarHBondContact O-CD 3.45Å; A167-R205 WeakPolarHBondContact O-CG 3.27Å; A167-R205 PolarHBondContact O-NH1 2.89Å; L169-R205 PolarHBondContact O-NH1 2.85Å; L201-R205 PolarHBondContact O-N 3.46Å; A202-R205 PolarHBondContact O-N 3.01Å; Q203-R205 VanDerWaalsContact C-N 3.34Å; Q203-R205 PolarHBondContact O-N 3.39Å
206	K	97.2	Very high	97.8	Very high	178 Å²	178	48 Å²	48	77%	0.774	23%	0.226	S	C	*	.	H	α-helix	trans	-68.7	-46	-177.8	-173.1	-179.5	177.6	-175.8	0	112.8	A202 Q203 T204	A202-K206 PolarHBondContact O-N 2.87Å; A202-K206 VanDerWaalsContact O-N 3.15Å; Q203-K206 PolarHBondContact O-N 3.17Å; Q203-K206 VanDerWaalsContact O-N 3.09Å; T204-K206 VanDerWaalsContact C-N 3.34Å; T204-K206 PolarHBondContact O-N 3.31Å
207	R	97.1	Very high	97.8	Very high	75 Å²	75	44.9 Å²	44.9	28%	0.283	22%	0.218	S	C	.	.	H	α-helix	trans	-82	-21.1	-177.9	74.2	-167	169.6	-164.9	-16.6	113.3	D200 Q203 T204 Y209 I260	D200-R207 IonicContact OD1-NH2 3.42Å; D200-R207 PolarHBondContact OD1-NH2 2.86Å; D200-R207 VanDerWaalsContact OD1-NH2 3.08Å; Q203-R207 WeakPolarHBondContact O-CG 3.46Å; Q203-R207 PolarHBondContact O-N 2.89Å; T204-R207 PolarHBondContact OG1-NH2 3.49Å; R207-Y209 HydrophobicContact CB-CD1 4.21Å; R207-Y209 HydrophobicContact CB-CE1 3.92Å; R207-Y209 WeakPolarHBondContact CD-O 3.43Å; R207-Y209 HydrophobicContact CG-CD1 3.81Å; R207-Y209 HydrophobicContact CG-CD2 4.31Å; R207-Y209 HydrophobicContact CG-CE1 3.78Å; R207-Y209 HydrophobicContact CG-CE2 4.29Å; R207-Y209 HydrophobicContact CG-CG 4.08Å; R207-Y209 WeakPolarHBondContact CG-O 3.41Å; R207-Y209 PolarHBondContact NE-O 3.28Å; R207-I260 WeakPolarHBondContact O-CD1 3.43Å
208	G	97.4	Very high	97.8	Very high	16 Å²	16	49.9 Å²	49.9	17%	0.165	24%	0.244	C	C	.	.	S	Bend	trans	87	-1.6	176.2	0	0	0	0	0	115.3	T204 I260	T204-G208 WeakPolarHBondContact O-CA 3.32Å; T204-G208 PolarHBondContact O-N 2.79Å; G208-I260 WeakPolarHBondContact O-CG1 3.44Å
209	Y	98.7	Very high	97.7	Very high	24 Å²	24	48.6 Å²	48.6	9%	0.094	25%	0.247	C	C	.	.	S	Bend	trans	-134.3	152.1	173.6	65	-91.4	0	0	0	110.1	T204 R207 L223 A224 V252 I260	T204-Y209 WeakPolarHBondContact CA-O 3.31Å; T204-Y209 WeakPolarHBondContact CG2-O 3.47Å; R207-Y209 HydrophobicContact CB-CD1 4.21Å; R207-Y209 HydrophobicContact CB-CE1 3.92Å; R207-Y209 WeakPolarHBondContact CD-O 3.43Å; R207-Y209 HydrophobicContact CG-CD1 3.81Å; R207-Y209 HydrophobicContact CG-CD2 4.31Å; R207-Y209 HydrophobicContact CG-CE1 3.78Å; R207-Y209 HydrophobicContact CG-CE2 4.29Å; R207-Y209 HydrophobicContact CG-CG 4.08Å; R207-Y209 WeakPolarHBondContact CG-O 3.41Å; R207-Y209 PolarHBondContact NE-O 3.28Å; Y209-L223 HydrophobicContact CD2-CD2 3.96Å; Y209-L223 HydrophobicContact CE2-CD2 3.83Å; Y209-A224 CarbonylContact C-O 3.52Å; Y209-A224 WeakPolarHBondContact CA-O 3.37Å; Y209-A224 WeakPolarHBondContact CB-O 3.41Å; Y209-V252 HydrophobicContact CE2-CG1 4.21Å; Y209-I260 HydrophobicContact CD1-CD1 3.77Å; Y209-I260 HydrophobicContact CG-CD1 4.48Å
210	S	98.7	Very high	97.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	156.2	169.7	61.3	0	0	0	0	110.4	G160 L223 A224	G160-S210 VanDerWaalsContact C-OG 3.28Å; G160-S210 WeakPolarHBondContact O-CB 3.37Å; G160-S210 PolarHBondContact O-OG 2.75Å; S210-L223 VanDerWaalsContact O-CA 3.26Å; S210-L223 WeakPolarHBondContact O-CA 3.23Å; S210-A224 PolarHBondContact N-O 2.87Å; S210-A224 PolarHBondContact O-N 3.11Å; S210-A224 VanDerWaalsContact O-N 3.11Å; S210-A224 WeakPolarHBondContact OG-CB 3.27Å; S210-A224 PolarHBondContact OG-N 2.9Å; S210-A224 PolarHBondContact OG-O 3.46Å
211	F	98.5	Very high	97.7	Very high	26 Å²	26	44.4 Å²	44.4	11%	0.114	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	115.1	175.9	176.7	-135.4	0	0	0	109.2	K163 D213 R221 C222 L223 V252	K163-F211 WeakPolarHBondContact CE-O 3.18Å; K163-F211 PolarHBondContact NZ-O 3.47Å; F211-D213 HydrophobicContact CD1-CB 4.21Å; F211-D213 HydrophobicContact CE1-CB 3.58Å; F211-D213 HydrophobicContact CE2-CB 4.29Å; F211-D213 HydrophobicContact CZ-CB 3.63Å; F211-R221 HydrophobicContact CE2-CB 4.06Å; F211-R221 HydrophobicContact CE2-CG 3.84Å; F211-R221 HydrophobicContact CZ-CG 4.07Å; F211-C222 CarbonylContact C-O 3.59Å; F211-C222 WeakPolarHBondContact CA-O 3.44Å; F211-L223 HydrophobicContact CD2-CD1 4.37Å; F211-L223 HydrophobicContact CD2-CG 3.99Å; F211-V252 HydrophobicContact CD1-CG1 4.32Å; F211-V252 HydrophobicContact CD2-CG1 4.39Å; F211-V252 HydrophobicContact CE1-CG1 4.44Å; F211-V252 HydrophobicContact CE1-CG2 4.28Å; F211-V252 HydrophobicContact CE2-CG2 4Å; F211-V252 HydrophobicContact CG-CG1 4.29Å; F211-V252 HydrophobicContact CZ-CG2 3.8Å
212	D	98.1	Very high	97.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	114.3	169.1	152.5	29.8	0	0	0	107.7	E215 H216 R221 C222	D212-E215 WeakPolarHBondContact OD1-CA 3.46Å; D212-E215 VanDerWaalsContact OD1-CB 3.28Å; D212-E215 WeakPolarHBondContact OD1-CB 3.37Å; D212-E215 PolarHBondContact OD1-N 3.22Å; D212-H216 PolarHBondContact OD1-N 3.36Å; D212-R221 VanDerWaalsContact O-CA 3.3Å; D212-R221 WeakPolarHBondContact O-CA 3.29Å; D212-C222 HydrophobicContact CB-CB 4.12Å; D212-C222 PolarHBondContact N-O 3.45Å; D212-C222 PolarHBondContact O-N 2.92Å
213	D	98.2	Very high	97.8	Very high	52 Å²	52	42.9 Å²	42.9	28%	0.278	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	83.9	-177.6	-165.6	9.1	0	0	0	110.5	A189 F211 E215 R221	A189-D213 WeakPolarHBondContact CB-O 3.49Å; F211-D213 HydrophobicContact CD1-CB 4.21Å; F211-D213 HydrophobicContact CE1-CB 3.58Å; F211-D213 HydrophobicContact CE2-CB 4.29Å; F211-D213 HydrophobicContact CZ-CB 3.63Å; D213-E215 PolarHBondContact N-OE1 2.94Å; D213-E215 PolarHBondContact O-N 3.5Å; D213-E215 VanDerWaalsContact O-N 3.15Å; D213-R221 IonicContact OD1-CZ 3.94Å; D213-R221 VanDerWaalsContact OD1-CZ 3.23Å; D213-R221 IonicContact OD1-NE 3.57Å; D213-R221 PolarHBondContact OD1-NE 3.31Å; D213-R221 IonicContact OD1-NH2 3.69Å; D213-R221 PolarHBondContact OD1-NH2 3.43Å; D213-R221 IonicContact OD2-NH2 3.48Å; D213-R221 PolarHBondContact OD2-NH2 2.62Å
214	E	98.1	Very high	97.8	Very high	43 Å²	43	38 Å²	38	20%	0.201	19%	0.19	C	C	.	.	S	Bend	trans	59.2	21.3	-175.7	-54.3	-173.1	71.8	0	0	113.9	T187 A189 A217 G219 L220 I244	T187-E214 WeakPolarHBondContact CB-O 3.47Å; T187-E214 WeakPolarHBondContact CG2-O 3.33Å; T187-E214 PolarHBondContact OG1-O 3.09Å; A189-E214 HydrophobicContact CB-CB 4.31Å; E214-A217 WeakPolarHBondContact CA-O 3.25Å; E214-G219 PolarHBondContact OE1-N 3.01Å; E214-L220 WeakPolarHBondContact CA-O 3.48Å; E214-L220 PolarHBondContact N-O 3.5Å; E214-I244 HydrophobicContact CG-CG2 3.56Å
215	E	98.3	Very high	97.8	Very high	10 Å²	10	38 Å²	38	5%	0.047	19%	0.191	C	C	.	.	S	Bend	trans	-77.3	-37.2	-177	-65.3	169.6	-118.5	0	0	111.7	A158 K163 Y186 T187 T190 L191 D212 D213	A158-E215 HydrophobicContact CB-CB 4.28Å; K163-E215 VanDerWaalsContact NZ-CD 3.28Å; K163-E215 IonicContact NZ-OE1 3.01Å; K163-E215 PolarHBondContact NZ-OE1 3.4Å; K163-E215 IonicContact NZ-OE2 3.23Å; K163-E215 PolarHBondContact NZ-OE2 2.96Å; Y186-E215 WeakPolarHBondContact CB-O 3.42Å; T187-E215 PolarHBondContact OG1-O 3.15Å; T190-E215 PolarHBondContact OG1-O 3.44Å; L191-E215 WeakPolarHBondContact CG-OE2 3.15Å; D212-E215 WeakPolarHBondContact OD1-CA 3.46Å; D212-E215 VanDerWaalsContact OD1-CB 3.28Å; D212-E215 WeakPolarHBondContact OD1-CB 3.37Å; D212-E215 PolarHBondContact OD1-N 3.22Å; D213-E215 PolarHBondContact N-OE1 2.94Å; D213-E215 PolarHBondContact O-N 3.5Å; D213-E215 VanDerWaalsContact O-N 3.15Å
216	H	96.8	Very high	97.8	Very high	58 Å²	58	34.5 Å²	34.5	27%	0.269	18%	0.179	S	C	.	.	S	Bend	trans	-82.1	-43.9	175.9	-165.6	-174	0	0	0	112.2	P155 A158 Y186 D212	P155-H216 VanDerWaalsContact CD-CE1 3.43Å; P155-H216 WeakPolarHBondContact CD-CE1 3.26Å; A158-H216 VanDerWaalsContact O-CB 3.26Å; A158-H216 WeakPolarHBondContact O-CB 3.42Å; A158-H216 PolarHBondContact O-N 2.79Å; A158-H216 VanDerWaalsContact O-N 3.16Å; Y186-H216 WeakPolarHBondContact CB-O 3.18Å; D212-H216 PolarHBondContact OD1-N 3.36Å
217	A	96.3	Very high	97.7	Very high	39 Å²	39	26 Å²	26	32%	0.322	14%	0.142	S	C	.	.	S	Bend	trans	-151.6	139.7	-175.5	0	0	0	0	0	110.7	E214 L220	E214-A217 WeakPolarHBondContact CA-O 3.25Å; A217-L220 HydrophobicContact CB-CB 4.12Å; A217-L220 HydrophobicContact CB-CD2 4.17Å; A217-L220 WeakPolarHBondContact O-CB 3.46Å; A217-L220 PolarHBondContact O-N 2.88Å; A217-L220 VanDerWaalsContact O-N 3.16Å
218	L	97.1	Very high	97.5	Very high	105 Å²	105	22.8 Å²	22.8	55%	0.55	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	138.1	176.9	-63.9	179.6	0	0	0	111	T187 H188 L220	T187-L218 HydrophobicContact CG2-CD2 4.03Å; T187-L218 HydrophobicContact CG2-CG 4.08Å; H188-L218 WeakPolarHBondContact CE1-CD2 3.48Å; L218-L220 PolarHBondContact O-N 2.56Å
219	G	96.6	Very high	96.9	Very high	27 Å²	27	23.3 Å²	23.3	28%	0.278	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	-0.5	-176	0	0	0	0	0	114.8	E214 P243 I244	E214-G219 PolarHBondContact OE1-N 3.01Å; G219-P243 CarbonylContact O-C 3.51Å; G219-P243 WeakPolarHBondContact O-CA 3.4Å; G219-I244 PolarHBondContact O-N 2.95Å
220	L	97.4	Very high	96.1	Very high	26 Å²	26	25.5 Å²	25.5	14%	0.136	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.7	-178.8	-179.2	67.6	0	0	0	111.3	M146 E214 A217 L218	M146-L220 HydrophobicContact CB-CD1 3.77Å; M146-L220 HydrophobicContact CG-CD1 3.85Å; M146-L220 HydrophobicContact CG-CD2 4.35Å; E214-L220 WeakPolarHBondContact CA-O 3.48Å; E214-L220 PolarHBondContact N-O 3.5Å; A217-L220 HydrophobicContact CB-CB 4.12Å; A217-L220 HydrophobicContact CB-CD2 4.17Å; A217-L220 WeakPolarHBondContact O-CB 3.46Å; A217-L220 PolarHBondContact O-N 2.88Å; A217-L220 VanDerWaalsContact O-N 3.16Å; L218-L220 PolarHBondContact O-N 2.56Å
221	R	98.1	Very high	95.4	Very high	24 Å²	24	32.1 Å²	32.1	9%	0.091	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.6	168.7	-82.7	170.5	178.9	-163.2	-14	110.4	F211 D212 D213 S241 G242 I244 I247 D249	F211-R221 HydrophobicContact CE2-CB 4.06Å; F211-R221 HydrophobicContact CE2-CG 3.84Å; F211-R221 HydrophobicContact CZ-CG 4.07Å; D212-R221 VanDerWaalsContact O-CA 3.3Å; D212-R221 WeakPolarHBondContact O-CA 3.29Å; D213-R221 IonicContact OD1-CZ 3.94Å; D213-R221 VanDerWaalsContact OD1-CZ 3.23Å; D213-R221 IonicContact OD1-NE 3.57Å; D213-R221 PolarHBondContact OD1-NE 3.31Å; D213-R221 IonicContact OD1-NH2 3.69Å; D213-R221 PolarHBondContact OD1-NH2 3.43Å; D213-R221 IonicContact OD2-NH2 3.48Å; D213-R221 PolarHBondContact OD2-NH2 2.62Å; R221-S241 WeakPolarHBondContact O-CA 3.05Å; R221-G242 PolarHBondContact N-O 3.49Å; R221-G242 PolarHBondContact O-N 3.08Å; R221-G242 VanDerWaalsContact O-N 3.08Å; R221-I244 HydrophobicContact CG-CG2 3.7Å; R221-I247 HydrophobicContact CB-CB 3.96Å; R221-I247 HydrophobicContact CB-CD1 4.35Å; R221-I247 HydrophobicContact CB-CG2 3.78Å; R221-I247 WeakPolarHBondContact CD-O 3.3Å; R221-I247 PolarHBondContact NH1-O 3.28Å; R221-D249 IonicContact CZ-OD1 3.07Å; R221-D249 VanDerWaalsContact CZ-OD1 3.27Å; R221-D249 IonicContact NH1-OD1 3.78Å; R221-D249 PolarHBondContact NH1-OD1 2.92Å; R221-D249 IonicContact NH2-OD1 3.24Å; R221-D249 PolarHBondContact NH2-OD1 2.86Å
222	C	98.4	Very high	95	Very high	7 Å²	7	37.5 Å²	37.5	5%	0.047	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	135.9	176.2	-53.9	0	0	0	0	111.5	F211 D212 I240 S241	F211-C222 CarbonylContact C-O 3.59Å; F211-C222 WeakPolarHBondContact CA-O 3.44Å; D212-C222 HydrophobicContact CB-CB 4.12Å; D212-C222 PolarHBondContact N-O 3.45Å; D212-C222 PolarHBondContact O-N 2.92Å; C222-I240 CarbonylContact C-O 3.42Å; C222-I240 VanDerWaalsContact CA-O 3.27Å; C222-I240 WeakPolarHBondContact CA-O 3.49Å; C222-S241 PolarHBondContact SG-OG 2.92Å
223	L	98.7	Very high	94.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	136.9	169.8	-60.9	93.7	0	0	0	109.2	Y209 S210 F211 S239 I240 I247 V252 F255 V259	Y209-L223 HydrophobicContact CD2-CD2 3.96Å; Y209-L223 HydrophobicContact CE2-CD2 3.83Å; S210-L223 VanDerWaalsContact O-CA 3.26Å; S210-L223 WeakPolarHBondContact O-CA 3.23Å; F211-L223 HydrophobicContact CD2-CD1 4.37Å; F211-L223 HydrophobicContact CD2-CG 3.99Å; L223-S239 CarbonylContact O-C 3.57Å; L223-S239 WeakPolarHBondContact O-CA 3.42Å; L223-S239 VanDerWaalsContact O-CB 3.25Å; L223-S239 WeakPolarHBondContact O-CB 3.25Å; L223-I240 PolarHBondContact N-O 3.2Å; L223-I240 PolarHBondContact O-N 2.91Å; L223-I247 HydrophobicContact CD1-CD1 4.39Å; L223-I247 HydrophobicContact CD1-CG2 3.77Å; L223-V252 HydrophobicContact CD2-CG1 3.94Å; L223-V252 WeakPolarHBondContact CD2-O 3.33Å; L223-F255 HydrophobicContact CD1-CB 3.91Å; L223-F255 HydrophobicContact CD1-CD2 4.28Å; L223-F255 HydrophobicContact CD2-CB 3.94Å; L223-F255 HydrophobicContact CG-CB 4.42Å; L223-V259 HydrophobicContact CB-CG2 4.38Å
224	A	98.7	Very high	94.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.8	-179.4	0	0	0	0	0	114.2	A164 Y209 S210 I238	A164-A224 HydrophobicContact CB-CB 4.19Å; Y209-A224 CarbonylContact C-O 3.52Å; Y209-A224 WeakPolarHBondContact CA-O 3.37Å; Y209-A224 WeakPolarHBondContact CB-O 3.41Å; S210-A224 PolarHBondContact N-O 2.87Å; S210-A224 PolarHBondContact O-N 3.11Å; S210-A224 VanDerWaalsContact O-N 3.11Å; S210-A224 WeakPolarHBondContact OG-CB 3.27Å; S210-A224 PolarHBondContact OG-N 2.9Å; S210-A224 PolarHBondContact OG-O 3.46Å; A224-I238 CarbonylContact C-O 3.59Å; A224-I238 WeakPolarHBondContact CA-O 3.24Å; A224-I238 WeakPolarHBondContact CB-O 3.36Å
225	A	98.6	Very high	93.8	Very high	5 Å²	5	40.3 Å²	40.3	4%	0.041	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	145.4	172.7	0	0	0	0	0	110.9	A237 I238 V259 I260 A263	A225-A237 VanDerWaalsContact O-CA 3.27Å; A225-A237 WeakPolarHBondContact O-CA 3.44Å; A225-I238 PolarHBondContact N-O 2.81Å; A225-I238 PolarHBondContact O-N 3.44Å; A225-V259 HydrophobicContact CB-CB 4.36Å; A225-V259 HydrophobicContact CB-CG2 4.14Å; A225-I260 HydrophobicContact CB-CG1 4.24Å; A225-A263 HydrophobicContact CB-CB 3.73Å
226	C	97.5	Very high	93.6	Very high	9 Å²	9	39.9 Å²	39.9	6%	0.061	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	144.7	179.3	-71.8	0	0	0	0	112.5	A164 Q168 F228 P234 A236	A164-C226 PolarHBondContact O-SG 3.41Å; Q168-C226 HydrophobicContact CG-CB 4.36Å; C226-F228 HydrophobicContact CB-CE1 4.36Å; C226-F228 HydrophobicContact CB-CE2 3.82Å; C226-F228 HydrophobicContact CB-CZ 3.72Å; C226-F228 WeakPolarHBondContact O-CE2 3.41Å; C226-P234 HydrophobicContact CB-CB 4.09Å; C226-A236 CarbonylContact C-O 3.59Å; C226-A236 WeakPolarHBondContact CA-O 3.32Å
227	I	94.7	Very high	93.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	137.1	164.5	-59.2	160.1	0	0	0	107.4	M122 P234 F235 A236 I238 A263 V266 T267	M122-I227 HydrophobicContact CE-CD1 3.71Å; I227-P234 WeakPolarHBondContact O-CA 3.46Å; I227-F235 HydrophobicContact CB-CE1 4.37Å; I227-F235 HydrophobicContact CG2-CD1 4.39Å; I227-F235 HydrophobicContact CG2-CE1 3.52Å; I227-F235 HydrophobicContact CG2-CZ 3.77Å; I227-F235 PolarHBondContact O-N 3.07Å; I227-A236 HydrophobicContact CB-CB 4.09Å; I227-A236 HydrophobicContact CD1-CB 3.79Å; I227-A236 HydrophobicContact CG1-CB 4.48Å; I227-A236 PolarHBondContact N-O 3.01Å; I227-I238 HydrophobicContact CD1-CD1 3.98Å; I227-I238 HydrophobicContact CD1-CG1 3.58Å; I227-I238 HydrophobicContact CG1-CD1 4.31Å; I227-I238 HydrophobicContact CG1-CG1 4.08Å; I227-A263 HydrophobicContact CG1-CB 4.33Å; I227-V266 HydrophobicContact CB-CG1 4.47Å; I227-V266 HydrophobicContact CD1-CB 4.11Å; I227-V266 HydrophobicContact CD1-CG1 3.46Å; I227-V266 VanDerWaalsContact CD1-CG1 3.46Å; I227-V266 HydrophobicContact CG1-CB 4.16Å; I227-V266 HydrophobicContact CG1-CG1 3.86Å; I227-V266 HydrophobicContact CG2-CB 4.49Å; I227-V266 HydrophobicContact CG2-CG1 3.75Å; I227-T267 WeakPolarHBondContact CA-OG1 3.2Å
228	F	92.5	Very high	93.6	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.035	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	152	-177.1	-59	-92	0	0	0	111.4	Q168 C226 R232 E233 P234 T267 M273 R274	Q168-F228 HydrophobicContact CG-CE1 4.2Å; Q168-F228 HydrophobicContact CG-CZ 4.28Å; C226-F228 HydrophobicContact CB-CE1 4.36Å; C226-F228 HydrophobicContact CB-CE2 3.82Å; C226-F228 HydrophobicContact CB-CZ 3.72Å; C226-F228 WeakPolarHBondContact O-CE2 3.41Å; F228-R232 WeakPolarHBondContact CD1-O 3.43Å; F228-E233 WeakPolarHBondContact CA-O 3.45Å; F228-P234 HydrophobicContact CD1-CB 4.15Å; F228-P234 HydrophobicContact CE1-CB 3.97Å; F228-T267 HydrophobicContact CB-CG2 4.07Å; F228-T267 PolarHBondContact N-OG1 3.44Å; F228-M273 VanDerWaalsContact CB-O 3.32Å; F228-M273 WeakPolarHBondContact CB-O 3.48Å; F228-R274 HydrophobicContact CD2-CB 4.05Å; F228-R274 HydrophobicContact CD2-CG 4.02Å; F228-R274 HydrophobicContact CE2-CB 4.33Å; F228-R274 HydrophobicContact CE2-CG 3.81Å; F228-R274 HydrophobicContact CG-CB 4.48Å; F228-R274 HydrophobicContact CZ-CG 4.13Å
229	D	85	Confident	93.7	Very high	26 Å²	26	30.5 Å²	30.5	14%	0.139	15%	0.148	C	C	.	.			trans	-90.3	-174.6	173.7	70.2	9.8	0	0	0	112.5	H231 R232 E233 F235 Y270 G272 M273	D229-H231 PolarHBondContact O-N 2.8Å; D229-H231 VanDerWaalsContact O-N 3.15Å; D229-H231 VanDerWaalsContact OD1-CA 3.31Å; D229-H231 WeakPolarHBondContact OD1-CA 3.47Å; D229-H231 WeakPolarHBondContact OD1-CB 3.29Å; D229-H231 PolarHBondContact OD1-N 3.26Å; D229-R232 PolarHBondContact O-N 3.41Å; D229-R232 VanDerWaalsContact O-N 3.16Å; D229-R232 PolarHBondContact OD1-N 3.43Å; D229-R232 VanDerWaalsContact OD1-N 3.15Å; D229-E233 PolarHBondContact N-O 2.85Å; D229-E233 PolarHBondContact OD1-N 3.15Å; D229-F235 HydrophobicContact CB-CD1 3.86Å; D229-F235 HydrophobicContact CB-CE1 4.31Å; D229-Y270 HydrophobicContact CB-CE1 3.83Å; D229-G272 WeakPolarHBondContact O-CA 3.43Å; D229-M273 PolarHBondContact O-N 3.24Å; D229-M273 VanDerWaalsContact O-N 3.07Å
230	E	82	Confident	93.8	Very high	71 Å²	71	29.2 Å²	29.2	33%	0.332	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-15.7	176.8	58.7	-92.5	-148.2	0	0	114.2	R99	R99-E230 IonicContact CZ-OE1 2.68Å; R99-E230 IonicContact CZ-OE2 3.55Å; R99-E230 IonicContact NH1-OE1 3.98Å; R99-E230 PolarHBondContact NH1-OE1 3.33Å; R99-E230 VanDerWaalsContact NH1-OE1 3.13Å; R99-E230 IonicContact NH1-OE2 3.97Å; R99-E230 PolarHBondContact NH1-OE2 2.98Å; R99-E230 IonicContact NH2-OE1 3.44Å; R99-E230 PolarHBondContact NH2-OE1 3.47Å; R99-E230 IonicContact NH2-OE2 2.95Å
231	H	83.8	Confident	93.8	Very high	138 Å²	138	28 Å²	28	64%	0.639	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.2	5.3	179.7	-60.3	-52.5	0	0	0	113.4	D229 E233	D229-H231 PolarHBondContact O-N 2.8Å; D229-H231 VanDerWaalsContact O-N 3.15Å; D229-H231 VanDerWaalsContact OD1-CA 3.31Å; D229-H231 WeakPolarHBondContact OD1-CA 3.47Å; D229-H231 WeakPolarHBondContact OD1-CB 3.29Å; D229-H231 PolarHBondContact OD1-N 3.26Å; H231-E233 HydrophobicContact CB-CG 4.4Å; H231-E233 PolarHBondContact O-N 3.01Å
232	R	89.8	Confident	93.8	Very high	140 Å²	140	26.9 Å²	26.9	53%	0.528	12%	0.124	S	C	.	.	S	Bend	trans	66.5	20.3	-173.5	-49.7	176.5	-169.3	-172	3.2	113.6	F228 D229 M273	F228-R232 WeakPolarHBondContact CD1-O 3.43Å; D229-R232 PolarHBondContact O-N 3.41Å; D229-R232 VanDerWaalsContact O-N 3.16Å; D229-R232 PolarHBondContact OD1-N 3.43Å; D229-R232 VanDerWaalsContact OD1-N 3.15Å; R232-M273 WeakPolarHBondContact CA-O 3.08Å; R232-M273 HydrophobicContact CG-CG 3.76Å; R232-M273 WeakPolarHBondContact CG-O 3.32Å; R232-M273 HydrophobicContact CG-SD 4.48Å; R232-M273 VanDerWaalsContact NH2-CE 3.29Å
233	E	89.2	Confident	93.7	Very high	108 Å²	108	27.2 Å²	27.2	51%	0.505	13%	0.126	S	C	.	.			trans	-89.9	133.6	175.5	-69	-64.7	150.7	0	0	109.8	F228 D229 H231 F235	F228-E233 WeakPolarHBondContact CA-O 3.45Å; D229-E233 PolarHBondContact N-O 2.85Å; D229-E233 PolarHBondContact OD1-N 3.15Å; H231-E233 HydrophobicContact CB-CG 4.4Å; H231-E233 PolarHBondContact O-N 3.01Å; E233-F235 PolarHBondContact O-N 2.93Å
234	P	92.7	Very high	93.6	Very high	14 Å²	14	30.1 Å²	30.1	9%	0.091	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	112.7	176.7	31.5	-35.3	0	0	0	110	F165 Q168 C226 I227 F228	F165-P234 HydrophobicContact CD1-CB 4.35Å; Q168-P234 HydrophobicContact CB-CB 4.34Å; Q168-P234 HydrophobicContact CB-CG 3.68Å; Q168-P234 HydrophobicContact CG-CB 3.92Å; Q168-P234 HydrophobicContact CG-CG 3.83Å; C226-P234 HydrophobicContact CB-CB 4.09Å; I227-P234 WeakPolarHBondContact O-CA 3.46Å; F228-P234 HydrophobicContact CD1-CB 4.15Å; F228-P234 HydrophobicContact CE1-CB 3.97Å
235	F	87.9	Confident	93.5	Very high	32 Å²	32	33.9 Å²	33.9	14%	0.14	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-21.8	179.2	79.9	-87.2	0	0	0	113.1	L101 V124 L125 I227 D229 E233 Y270	L101-F235 HydrophobicContact CD1-CZ 4.29Å; L101-F235 HydrophobicContact CD2-CE2 3.75Å; L101-F235 HydrophobicContact CD2-CZ 4.23Å; V124-F235 WeakPolarHBondContact CA-O 3.44Å; L125-F235 PolarHBondContact N-O 3.17Å; I227-F235 HydrophobicContact CB-CE1 4.37Å; I227-F235 HydrophobicContact CG2-CD1 4.39Å; I227-F235 HydrophobicContact CG2-CE1 3.52Å; I227-F235 HydrophobicContact CG2-CZ 3.77Å; I227-F235 PolarHBondContact O-N 3.07Å; D229-F235 HydrophobicContact CB-CD1 3.86Å; D229-F235 HydrophobicContact CB-CE1 4.31Å; E233-F235 PolarHBondContact O-N 2.93Å; F235-Y270 HydrophobicContact CD1-CE1 4.16Å; F235-Y270 AromaticContact CE1-CD1 3.61Å; F235-Y270 HydrophobicContact CE1-CD1 3.61Å; F235-Y270 AromaticContact CE1-CE1 3.44Å; F235-Y270 HydrophobicContact CE1-CE1 3.44Å; F235-Y270 VanDerWaalsContact CE1-CE1 3.44Å; F235-Y270 HydrophobicContact CE1-CE2 4.47Å; F235-Y270 HydrophobicContact CE1-CG 4.2Å; F235-Y270 AromaticContact CE1-CZ 3.84Å; F235-Y270 HydrophobicContact CE2-CE1 4.48Å; F235-Y270 HydrophobicContact CE2-CE2 4.28Å; F235-Y270 AromaticContact CZ-CD1 3.82Å; F235-Y270 HydrophobicContact CZ-CD1 3.82Å; F235-Y270 HydrophobicContact CZ-CD2 4.05Å; F235-Y270 AromaticContact CZ-CE1 3.64Å; F235-Y270 HydrophobicContact CZ-CE1 3.64Å; F235-Y270 AromaticContact CZ-CE2 3.81Å; F235-Y270 HydrophobicContact CZ-CE2 3.81Å; F235-Y270 AromaticContact CZ-CG 3.97Å; F235-Y270 HydrophobicContact CZ-CG 3.97Å; F235-Y270 AromaticContact CZ-CZ 3.56Å
236	A	93.3	Very high	93.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	169.7	179	0	0	0	0	0	112	M122 A123 V124 F165 C226 I227	M122-A236 HydrophobicContact CE-CB 3.81Å; A123-A236 CarbonylContact O-C 2.86Å; A123-A236 WeakPolarHBondContact O-CA 3.32Å; A123-A236 WeakPolarHBondContact O-CB 3.24Å; V124-A236 HydrophobicContact CG1-CB 4.28Å; F165-A236 WeakPolarHBondContact CE1-O 3.23Å; F165-A236 VanDerWaalsContact CZ-C 3.41Å; C226-A236 CarbonylContact C-O 3.59Å; C226-A236 WeakPolarHBondContact CA-O 3.32Å; I227-A236 HydrophobicContact CB-CB 4.09Å; I227-A236 HydrophobicContact CD1-CB 3.79Å; I227-A236 HydrophobicContact CG1-CB 4.48Å; I227-A236 PolarHBondContact N-O 3.01Å
237	A	96.8	Very high	93.3	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.008	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	144.5	174.1	0	0	0	0	0	110.2	M122 A123 A161 F165 A225	M122-A237 WeakPolarHBondContact CA-O 3.19Å; A123-A237 PolarHBondContact N-O 2.68Å; A123-A237 PolarHBondContact O-N 3.19Å; A161-A237 HydrophobicContact CB-CB 4.13Å; F165-A237 HydrophobicContact CE1-CB 4.01Å; F165-A237 HydrophobicContact CE2-CB 3.97Å; F165-A237 HydrophobicContact CZ-CB 3.61Å; A225-A237 VanDerWaalsContact O-CA 3.27Å; A225-A237 WeakPolarHBondContact O-CA 3.44Å
238	I	97.3	Very high	93.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138.1	171	-57.4	177.7	0	0	0	108	L109 L112 V120 N121 A224 A225 I227 A262 V266	L109-I238 HydrophobicContact CD2-CD1 4.35Å; L109-I238 HydrophobicContact CD2-CG1 4.26Å; L109-I238 HydrophobicContact CD2-CG2 3.85Å; L112-I238 HydrophobicContact CD2-CG2 3.58Å; V120-I238 HydrophobicContact CG1-CG2 3.81Å; N121-I238 CarbonylContact O-C 3.44Å; N121-I238 WeakPolarHBondContact O-CA 3.26Å; A224-I238 CarbonylContact C-O 3.59Å; A224-I238 WeakPolarHBondContact CA-O 3.24Å; A224-I238 WeakPolarHBondContact CB-O 3.36Å; A225-I238 PolarHBondContact N-O 2.81Å; A225-I238 PolarHBondContact O-N 3.44Å; I227-I238 HydrophobicContact CD1-CD1 3.98Å; I227-I238 HydrophobicContact CD1-CG1 3.58Å; I227-I238 HydrophobicContact CG1-CD1 4.31Å; I227-I238 HydrophobicContact CG1-CG1 4.08Å; I238-A262 HydrophobicContact CD1-CB 4.16Å; I238-V266 HydrophobicContact CD1-CB 4.11Å; I238-V266 HydrophobicContact CD1-CG2 3.55Å
239	S	98.5	Very high	93.7	Very high	5 Å²	5	42.7 Å²	42.7	4%	0.035	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.3	175.7	73.2	0	0	0	0	113.8	V120 N121 L223	V120-S239 CarbonylContact C-O 3.4Å; V120-S239 VanDerWaalsContact CA-O 3.28Å; V120-S239 WeakPolarHBondContact CA-O 3.26Å; N121-S239 PolarHBondContact N-O 3.35Å; N121-S239 PolarHBondContact O-N 2.84Å; L223-S239 CarbonylContact O-C 3.57Å; L223-S239 WeakPolarHBondContact O-CA 3.42Å; L223-S239 VanDerWaalsContact O-CB 3.25Å; L223-S239 WeakPolarHBondContact O-CB 3.25Å
240	I	98.5	Very high	94.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	133	162.2	-72.9	168.1	0	0	0	107.9	L112 E118 V120 C222 L223 I247 F255 M258 V259	L112-I240 HydrophobicContact CD1-CD1 3.89Å; L112-I240 HydrophobicContact CD1-CG1 4.47Å; L112-I240 HydrophobicContact CD2-CD1 4.39Å; L112-I240 HydrophobicContact CD2-CG1 4.14Å; L112-I240 HydrophobicContact CG-CD1 4.1Å; L112-I240 HydrophobicContact CG-CG1 4.15Å; E118-I240 HydrophobicContact CB-CG2 3.74Å; E118-I240 HydrophobicContact CG-CG2 4.39Å; V120-I240 HydrophobicContact CG2-CG1 4.14Å; C222-I240 CarbonylContact C-O 3.42Å; C222-I240 VanDerWaalsContact CA-O 3.27Å; C222-I240 WeakPolarHBondContact CA-O 3.49Å; L223-I240 PolarHBondContact N-O 3.2Å; L223-I240 PolarHBondContact O-N 2.91Å; I240-I247 HydrophobicContact CG2-CD1 4.12Å; I240-F255 HydrophobicContact CD1-CB 4.26Å; I240-F255 HydrophobicContact CD1-CD1 4.07Å; I240-F255 HydrophobicContact CD1-CG 4.41Å; I240-M258 HydrophobicContact CD1-CB 4.15Å; I240-V259 HydrophobicContact CB-CG1 4.04Å; I240-V259 HydrophobicContact CD1-CG1 3.71Å; I240-V259 HydrophobicContact CG1-CG1 3.69Å
241	S	98	Very high	94.9	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	129.1	-179	-59.8	0	0	0	0	111.4	T119 N121 R221 C222	T119-S241 PolarHBondContact N-O 3.36Å; T119-S241 PolarHBondContact O-N 2.97Å; N121-S241 PolarHBondContact ND2-OG 3.29Å; R221-S241 WeakPolarHBondContact O-CA 3.05Å; C222-S241 PolarHBondContact SG-OG 2.92Å
242	G	97.4	Very high	95.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	171.5	-175.3	0	0	0	0	0	112.4	R221 I247	R221-G242 PolarHBondContact N-O 3.49Å; R221-G242 PolarHBondContact O-N 3.08Å; R221-G242 VanDerWaalsContact O-N 3.08Å; G242-I247 VanDerWaalsContact N-CD1 3.33Å
243	P	96.9	Very high	95.9	Very high	13 Å²	13	39.5 Å²	39.5	8%	0.084	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	152.1	-177.2	30.3	-33.2	0	0	0	112.1	M144 G219 S245 R246 I247	M144-P243 HydrophobicContact CE-CB 3.75Å; M144-P243 HydrophobicContact CE-CG 4.03Å; G219-P243 CarbonylContact O-C 3.51Å; G219-P243 WeakPolarHBondContact O-CA 3.4Å; P243-S245 PolarHBondContact O-N 2.82Å; P243-R246 VanDerWaalsContact CD-CZ 3.46Å; P243-R246 HydrophobicContact CG-CB 4.3Å; P243-R246 HydrophobicContact CG-CG 4.22Å; P243-R246 PolarHBondContact O-N 3.08Å; P243-I247 PolarHBondContact O-N 2.8Å
244	I	96.6	Very high	96.4	Very high	62 Å²	62	38.4 Å²	38.4	32%	0.318	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.3	179.5	65.6	168.2	0	0	0	113.3	E214 G219 R221 R246 I247	E214-I244 HydrophobicContact CG-CG2 3.56Å; G219-I244 PolarHBondContact O-N 2.95Å; R221-I244 HydrophobicContact CG-CG2 3.7Å; I244-R246 PolarHBondContact O-N 2.58Å; I244-I247 CarbonylContact O-C 3.59Å
245	S	95.8	Very high	96.6	Very high	78 Å²	78	37.7 Å²	37.7	55%	0.545	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-14	177.2	57.8	0	0	0	0	114.1	P243	P243-S245 PolarHBondContact O-N 2.82Å
246	R	96.1	Very high	97.1	Very high	52 Å²	52	36.2 Å²	36.2	20%	0.196	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-27.7	177.4	-62.5	-164.9	-55.4	-100	3.1	113.2	E118 M144 P243 I244 T248 R251	E118-R246 VanDerWaalsContact OE1-CB 3.26Å; E118-R246 WeakPolarHBondContact OE1-CB 3.44Å; E118-R246 WeakPolarHBondContact OE1-CD 3.45Å; E118-R246 IonicContact OE1-CZ 2.8Å; E118-R246 IonicContact OE1-NE 3.23Å; E118-R246 PolarHBondContact OE1-NE 3.22Å; E118-R246 IonicContact OE1-NH2 3.27Å; E118-R246 PolarHBondContact OE1-NH2 2.66Å; E118-R246 IonicContact OE2-CZ 2.73Å; E118-R246 IonicContact OE2-NE 2.66Å; E118-R246 IonicContact OE2-NH2 2.65Å; E118-R246 PolarHBondContact OE2-NH2 2.69Å; M144-R246 PolarHBondContact O-NH1 3.19Å; M144-R246 PolarHBondContact O-NH2 3.22Å; P243-R246 VanDerWaalsContact CD-CZ 3.46Å; P243-R246 HydrophobicContact CG-CB 4.3Å; P243-R246 HydrophobicContact CG-CG 4.22Å; P243-R246 PolarHBondContact O-N 3.08Å; I244-R246 PolarHBondContact O-N 2.58Å; R246-T248 VanDerWaalsContact C-N 3.33Å; R246-T248 PolarHBondContact O-N 3.44Å; R246-R251 PolarHBondContact O-NH1 3.21Å
247	I	97.3	Very high	97.4	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-94.3	68.8	167.3	-51.9	-163.9	0	0	0	108.3	E118 R221 L223 I240 G242 P243 I244 F255	E118-I247 HydrophobicContact CG-CD1 4.41Å; E118-I247 HydrophobicContact CG-CG1 4.37Å; R221-I247 HydrophobicContact CB-CB 3.96Å; R221-I247 HydrophobicContact CB-CD1 4.35Å; R221-I247 HydrophobicContact CB-CG2 3.78Å; R221-I247 WeakPolarHBondContact CD-O 3.3Å; R221-I247 PolarHBondContact NH1-O 3.28Å; L223-I247 HydrophobicContact CD1-CD1 4.39Å; L223-I247 HydrophobicContact CD1-CG2 3.77Å; I240-I247 HydrophobicContact CG2-CD1 4.12Å; G242-I247 VanDerWaalsContact N-CD1 3.33Å; P243-I247 PolarHBondContact O-N 2.8Å; I244-I247 CarbonylContact O-C 3.59Å; I247-F255 HydrophobicContact CB-CD2 4.47Å; I247-F255 HydrophobicContact CB-CE2 4.18Å; I247-F255 HydrophobicContact CD1-CD2 4.43Å; I247-F255 HydrophobicContact CD1-CE2 4.29Å; I247-F255 HydrophobicContact CG1-CD2 4.24Å; I247-F255 HydrophobicContact CG1-CE2 3.75Å; I247-F255 HydrophobicContact CG2-CD2 3.93Å; I247-F255 HydrophobicContact CG2-CE2 4.14Å
248	T	97.4	Very high	97.5	Very high	43 Å²	43	40.4 Å²	40.4	26%	0.264	23%	0.225	S	C	.	.			trans	-76.5	162.7	178.3	52.8	0	0	0	0	111	R246 D250 R251 V252	R246-T248 VanDerWaalsContact C-N 3.33Å; R246-T248 PolarHBondContact O-N 3.44Å; T248-D250 WeakPolarHBondContact CB-OD1 3.39Å; T248-D250 PolarHBondContact O-N 3.25Å; T248-D250 PolarHBondContact OG1-OD1 3.16Å; T248-R251 PolarHBondContact O-N 2.98Å; T248-V252 PolarHBondContact O-N 3.35Å
249	D	96.8	Very high	97.5	Very high	113 Å²	113	40.4 Å²	40.4	60%	0.604	23%	0.225	S	C	*	.	H	α-helix	trans	-58	-35.5	-174.8	-64.2	-12.9	0	0	0	112.9	R221 R251 V252	R221-D249 IonicContact CZ-OD1 3.07Å; R221-D249 VanDerWaalsContact CZ-OD1 3.27Å; R221-D249 IonicContact NH1-OD1 3.78Å; R221-D249 PolarHBondContact NH1-OD1 2.92Å; R221-D249 IonicContact NH2-OD1 3.24Å; R221-D249 PolarHBondContact NH2-OD1 2.86Å; D249-R251 PolarHBondContact O-N 3Å; D249-V252 PolarHBondContact O-N 2.99Å
250	D	96.3	Very high	97.5	Very high	130 Å²	130	41.6 Å²	41.6	70%	0.695	23%	0.23	S	C	*	.	H	α-helix	trans	-68	-21.4	176.6	60.8	-54.1	0	0	0	113.3	T248	T248-D250 WeakPolarHBondContact CB-OD1 3.39Å; T248-D250 PolarHBondContact O-N 3.25Å; T248-D250 PolarHBondContact OG1-OD1 3.16Å
251	R	97.2	Very high	97.5	Very high	64 Å²	64	46.8 Å²	46.8	24%	0.242	25%	0.253	C	S	.	.	H	α-helix	trans	-97.3	-11.3	178.9	-61.2	-166.9	70.9	-159.5	5.1	114.2	R246 T248 D249 T253 E254 F255	R246-R251 PolarHBondContact O-NH1 3.21Å; T248-R251 PolarHBondContact O-N 2.98Å; D249-R251 PolarHBondContact O-N 3Å; R251-T253 VanDerWaalsContact C-N 3.28Å; R251-T253 PolarHBondContact O-N 3.34Å; R251-E254 IonicContact CZ-OE2 2.58Å; R251-E254 IonicContact NE-OE2 3.08Å; R251-E254 PolarHBondContact NE-OE2 2.95Å; R251-E254 VanDerWaalsContact NE-OE2 3.07Å; R251-E254 IonicContact NH2-OE1 3.61Å; R251-E254 IonicContact NH2-OE2 3.22Å; R251-E254 WeakPolarHBondContact O-CB 3.42Å; R251-E254 PolarHBondContact O-N 3.13Å; R251-F255 HydrophobicContact CB-CD2 4.17Å; R251-F255 HydrophobicContact CB-CE2 4.03Å; R251-F255 VanDerWaalsContact NH1-CZ 3.33Å; R251-F255 VanDerWaalsContact NH2-CE1 3.29Å; R251-F255 PolarHBondContact O-N 3.22Å
252	V	97.6	Very high	97.5	Very high	14 Å²	14	46.9 Å²	46.9	9%	0.085	25%	0.254	C	S	.	.	H	α-helix	trans	-56.8	-43.2	179.9	170	0	0	0	0	111.3	Y209 F211 L223 T248 D249 G256	Y209-V252 HydrophobicContact CE2-CG1 4.21Å; F211-V252 HydrophobicContact CD1-CG1 4.32Å; F211-V252 HydrophobicContact CD2-CG1 4.39Å; F211-V252 HydrophobicContact CE1-CG1 4.44Å; F211-V252 HydrophobicContact CE1-CG2 4.28Å; F211-V252 HydrophobicContact CE2-CG2 4Å; F211-V252 HydrophobicContact CG-CG1 4.29Å; F211-V252 HydrophobicContact CZ-CG2 3.8Å; L223-V252 HydrophobicContact CD2-CG1 3.94Å; L223-V252 WeakPolarHBondContact CD2-O 3.33Å; T248-V252 PolarHBondContact O-N 3.35Å; D249-V252 PolarHBondContact O-N 2.99Å; V252-G256 PolarHBondContact O-N 3.15Å
253	T	97.4	Very high	97.5	Very high	99 Å²	99	47 Å²	47	61%	0.607	26%	0.255	S	S	*	.	H	α-helix	trans	-69.5	-39.5	-179.8	-56.7	0	0	0	0	111.7	R251 G256 A257	R251-T253 VanDerWaalsContact C-N 3.28Å; R251-T253 PolarHBondContact O-N 3.34Å; T253-G256 PolarHBondContact O-N 2.85Å; T253-A257 PolarHBondContact O-N 3.48Å
254	E	98.1	Very high	97.4	Very high	85 Å²	85	52 Å²	52	40%	0.397	28%	0.276	S	S	.	.	H	α-helix	trans	-58.3	-55.7	175.4	178.1	-166.3	-172.4	0	0	110.5	R251 G256 A257 M258	R251-E254 IonicContact CZ-OE2 2.58Å; R251-E254 IonicContact NE-OE2 3.08Å; R251-E254 PolarHBondContact NE-OE2 2.95Å; R251-E254 VanDerWaalsContact NE-OE2 3.07Å; R251-E254 IonicContact NH2-OE1 3.61Å; R251-E254 IonicContact NH2-OE2 3.22Å; R251-E254 WeakPolarHBondContact O-CB 3.42Å; R251-E254 PolarHBondContact O-N 3.13Å; E254-G256 VanDerWaalsContact C-N 3.3Å; E254-G256 PolarHBondContact O-N 3.36Å; E254-A257 WeakPolarHBondContact O-CB 3.28Å; E254-A257 PolarHBondContact O-N 3.1Å; E254-A257 VanDerWaalsContact O-N 3.17Å; E254-M258 HydrophobicContact CG-CE 3.81Å; E254-M258 WeakPolarHBondContact O-CG 3.26Å; E254-M258 PolarHBondContact O-N 2.93Å; E254-M258 WeakPolarHBondContact OE1-CE 3.44Å
255	F	98.4	Very high	97.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.8	-34	179	-68.2	-36.2	0	0	0	113	E118 L223 I240 I247 R251 A257 M258 V259	E118-F255 HydrophobicContact CG-CZ 4.35Å; L223-F255 HydrophobicContact CD1-CB 3.91Å; L223-F255 HydrophobicContact CD1-CD2 4.28Å; L223-F255 HydrophobicContact CD2-CB 3.94Å; L223-F255 HydrophobicContact CG-CB 4.42Å; I240-F255 HydrophobicContact CD1-CB 4.26Å; I240-F255 HydrophobicContact CD1-CD1 4.07Å; I240-F255 HydrophobicContact CD1-CG 4.41Å; I247-F255 HydrophobicContact CB-CD2 4.47Å; I247-F255 HydrophobicContact CB-CE2 4.18Å; I247-F255 HydrophobicContact CD1-CD2 4.43Å; I247-F255 HydrophobicContact CD1-CE2 4.29Å; I247-F255 HydrophobicContact CG1-CD2 4.24Å; I247-F255 HydrophobicContact CG1-CE2 3.75Å; I247-F255 HydrophobicContact CG2-CD2 3.93Å; I247-F255 HydrophobicContact CG2-CE2 4.14Å; R251-F255 HydrophobicContact CB-CD2 4.17Å; R251-F255 HydrophobicContact CB-CE2 4.03Å; R251-F255 VanDerWaalsContact NH1-CZ 3.33Å; R251-F255 VanDerWaalsContact NH2-CE1 3.29Å; R251-F255 PolarHBondContact O-N 3.22Å; F255-A257 VanDerWaalsContact C-N 3.31Å; F255-A257 PolarHBondContact O-N 3.42Å; F255-M258 HydrophobicContact CD1-SD 3.76Å; F255-M258 HydrophobicContact CE1-SD 4.27Å; F255-M258 PolarHBondContact O-N 2.56Å; F255-V259 PolarHBondContact O-N 3.25Å
256	G	98.5	Very high	97.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.4	-43.5	174	0	0	0	0	0	111.7	V252 T253 E254 V259 I260	V252-G256 PolarHBondContact O-N 3.15Å; T253-G256 PolarHBondContact O-N 2.85Å; E254-G256 VanDerWaalsContact C-N 3.3Å; E254-G256 PolarHBondContact O-N 3.36Å; G256-V259 VanDerWaalsContact O-CG2 3.25Å; G256-V259 WeakPolarHBondContact O-CG2 3.38Å; G256-I260 WeakPolarHBondContact O-CD1 3.41Å; G256-I260 VanDerWaalsContact O-CG1 3.28Å; G256-I260 WeakPolarHBondContact O-CG1 3.45Å; G256-I260 PolarHBondContact O-N 3.22Å; G256-I260 VanDerWaalsContact O-N 3.15Å
257	A	98.5	Very high	97.1	Very high	60 Å²	60	47.5 Å²	47.5	50%	0.496	25%	0.248	S	C	.	.	H	α-helix	trans	-65.8	-40.4	174.6	0	0	0	0	0	112.1	T253 E254 F255 I260 K261	T253-A257 PolarHBondContact O-N 3.48Å; E254-A257 WeakPolarHBondContact O-CB 3.28Å; E254-A257 PolarHBondContact O-N 3.1Å; E254-A257 VanDerWaalsContact O-N 3.17Å; F255-A257 VanDerWaalsContact C-N 3.31Å; F255-A257 PolarHBondContact O-N 3.42Å; A257-I260 PolarHBondContact O-N 3.33Å; A257-K261 WeakPolarHBondContact O-CB 3.49Å; A257-K261 PolarHBondContact O-N 3.35Å
258	M	98.6	Very high	96.7	Very high	29 Å²	29	53.8 Å²	53.8	14%	0.143	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-47.9	177.3	-67.8	179.1	176.4	0	0	112.1	L112 I240 E254 F255 I260 K261 A262	L112-M258 HydrophobicContact CD1-CB 3.71Å; I240-M258 HydrophobicContact CD1-CB 4.15Å; E254-M258 HydrophobicContact CG-CE 3.81Å; E254-M258 WeakPolarHBondContact O-CG 3.26Å; E254-M258 PolarHBondContact O-N 2.93Å; E254-M258 WeakPolarHBondContact OE1-CE 3.44Å; F255-M258 HydrophobicContact CD1-SD 3.76Å; F255-M258 HydrophobicContact CE1-SD 4.27Å; F255-M258 PolarHBondContact O-N 2.56Å; M258-I260 VanDerWaalsContact C-N 3.33Å; M258-I260 PolarHBondContact O-N 3.41Å; M258-K261 PolarHBondContact O-N 3.41Å; M258-A262 PolarHBondContact O-N 3.05Å
259	V	98.6	Very high	96.2	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.8	-35.2	178.1	-62.3	0	0	0	0	112.4	L112 L223 A225 I240 F255 G256 A263	L112-V259 HydrophobicContact CD2-CG1 4.47Å; L223-V259 HydrophobicContact CB-CG2 4.38Å; A225-V259 HydrophobicContact CB-CB 4.36Å; A225-V259 HydrophobicContact CB-CG2 4.14Å; I240-V259 HydrophobicContact CB-CG1 4.04Å; I240-V259 HydrophobicContact CD1-CG1 3.71Å; I240-V259 HydrophobicContact CG1-CG1 3.69Å; F255-V259 PolarHBondContact O-N 3.25Å; G256-V259 VanDerWaalsContact O-CG2 3.25Å; G256-V259 WeakPolarHBondContact O-CG2 3.38Å; V259-A263 WeakPolarHBondContact O-CB 3.45Å; V259-A263 PolarHBondContact O-N 2.73Å
260	I	98.4	Very high	95.5	Very high	30 Å²	30	50.7 Å²	50.7	15%	0.154	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-46	173.8	-72.4	167.9	0	0	0	110.9	R207 G208 Y209 A225 G256 A257 M258 A263 K264	R207-I260 WeakPolarHBondContact O-CD1 3.43Å; G208-I260 WeakPolarHBondContact O-CG1 3.44Å; Y209-I260 HydrophobicContact CD1-CD1 3.77Å; Y209-I260 HydrophobicContact CG-CD1 4.48Å; A225-I260 HydrophobicContact CB-CG1 4.24Å; G256-I260 WeakPolarHBondContact O-CD1 3.41Å; G256-I260 VanDerWaalsContact O-CG1 3.28Å; G256-I260 WeakPolarHBondContact O-CG1 3.45Å; G256-I260 PolarHBondContact O-N 3.22Å; G256-I260 VanDerWaalsContact O-N 3.15Å; A257-I260 PolarHBondContact O-N 3.33Å; M258-I260 VanDerWaalsContact C-N 3.33Å; M258-I260 PolarHBondContact O-N 3.41Å; I260-A263 PolarHBondContact O-N 2.66Å; I260-K264 HydrophobicContact CG2-CD 4.08Å; I260-K264 WeakPolarHBondContact O-CB 3.45Å; I260-K264 WeakPolarHBondContact O-CG 3.43Å; I260-K264 PolarHBondContact O-N 2.97Å
261	K	98.1	Very high	94.6	Very high	109 Å²	109	47 Å²	47	47%	0.474	26%	0.259	S	S	.	.	H	α-helix	trans	-59.2	-52	178.9	178.3	-168.3	165.3	-158	0	110.1	E115 A257 M258 A263 K264 E265	E115-K261 IonicContact OE1-NZ 2.69Å; E115-K261 PolarHBondContact OE1-NZ 3.37Å; E115-K261 IonicContact OE2-NZ 3.6Å; E115-K261 PolarHBondContact OE2-NZ 2.92Å; A257-K261 WeakPolarHBondContact O-CB 3.49Å; A257-K261 PolarHBondContact O-N 3.35Å; M258-K261 PolarHBondContact O-N 3.41Å; K261-A263 PolarHBondContact O-N 2.85Å; K261-K264 PolarHBondContact O-N 2.91Å; K261-E265 PolarHBondContact O-N 2.92Å
262	A	97.5	Very high	93.8	Very high	4 Å²	4	44.4 Å²	44.4	3%	0.033	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-44.5	179	0	0	0	0	0	112.4	I108 L112 I238 M258 K264 E265 V266	I108-A262 HydrophobicContact CG2-CB 4.15Å; L112-A262 HydrophobicContact CB-CB 4.46Å; L112-A262 HydrophobicContact CD1-CB 4.16Å; L112-A262 HydrophobicContact CD2-CB 3.64Å; L112-A262 HydrophobicContact CG-CB 4.31Å; I238-A262 HydrophobicContact CD1-CB 4.16Å; M258-A262 PolarHBondContact O-N 3.05Å; A262-K264 VanDerWaalsContact C-N 3.32Å; A262-K264 PolarHBondContact O-N 3.42Å; A262-E265 PolarHBondContact O-N 2.74Å; A262-V266 WeakPolarHBondContact O-CG2 3.06Å; A262-V266 PolarHBondContact O-N 3.15Å
263	A	97	Very high	92.9	Very high	3 Å²	3	48 Å²	48	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-64.1	-36.2	179	0	0	0	0	0	112.5	A225 I227 V259 I260 K261 T267	A225-A263 HydrophobicContact CB-CB 3.73Å; I227-A263 HydrophobicContact CG1-CB 4.33Å; V259-A263 WeakPolarHBondContact O-CB 3.45Å; V259-A263 PolarHBondContact O-N 2.73Å; I260-A263 PolarHBondContact O-N 2.66Å; K261-A263 PolarHBondContact O-N 2.85Å; A263-T267 VanDerWaalsContact O-CB 3.31Å; A263-T267 WeakPolarHBondContact O-CB 3.39Å; A263-T267 PolarHBondContact O-N 2.6Å; A263-T267 PolarHBondContact O-OG1 3.01Å
264	K	96	Very high	92	Very high	117 Å²	117	50.3 Å²	50.3	51%	0.509	27%	0.266	S	S	.	.	H	α-helix	trans	-66.2	-43.7	172.6	-77.6	175.3	176.6	179.4	0	112.1	I260 K261 A262 V266 T267 L268	I260-K264 HydrophobicContact CG2-CD 4.08Å; I260-K264 WeakPolarHBondContact O-CB 3.45Å; I260-K264 WeakPolarHBondContact O-CG 3.43Å; I260-K264 PolarHBondContact O-N 2.97Å; K261-K264 PolarHBondContact O-N 2.91Å; A262-K264 VanDerWaalsContact C-N 3.32Å; A262-K264 PolarHBondContact O-N 3.42Å; K264-V266 VanDerWaalsContact C-N 3.33Å; K264-V266 PolarHBondContact O-N 3.16Å; K264-T267 PolarHBondContact O-N 3.33Å; K264-L268 WeakPolarHBondContact O-CG 3.49Å; K264-L268 PolarHBondContact O-N 3.37Å
265	E	95.2	Very high	91.7	Very high	89 Å²	89	48.6 Å²	48.6	42%	0.416	26%	0.259	S	S	.	.	H	α-helix	trans	-60.4	-45.2	177.7	-167.7	176.9	167.3	0	0	110.9	I108 K261 A262 L268 A269	I108-E265 HydrophobicContact CD1-CB 4.31Å; I108-E265 HydrophobicContact CD1-CG 3.77Å; I108-E265 HydrophobicContact CG1-CG 4.22Å; I108-E265 HydrophobicContact CG2-CB 4.38Å; I108-E265 HydrophobicContact CG2-CG 4.5Å; K261-E265 PolarHBondContact O-N 2.92Å; A262-E265 PolarHBondContact O-N 2.74Å; E265-L268 PolarHBondContact O-N 3.23Å; E265-A269 WeakPolarHBondContact O-CB 3.22Å; E265-A269 PolarHBondContact O-N 3.31Å
266	V	92.8	Very high	91.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.8	-43	174.8	172.5	0	0	0	0	112.1	V105 I108 I227 I238 A262 K264 L268 A269 Y270	V105-V266 HydrophobicContact CB-CG1 4.37Å; V105-V266 HydrophobicContact CB-CG2 4.27Å; V105-V266 HydrophobicContact CG1-CB 4.48Å; V105-V266 HydrophobicContact CG1-CG1 4.02Å; V105-V266 HydrophobicContact CG1-CG2 3.59Å; V105-V266 HydrophobicContact CG2-CB 4.22Å; V105-V266 HydrophobicContact CG2-CG1 3.39Å; V105-V266 HydrophobicContact CG2-CG2 3.95Å; I108-V266 HydrophobicContact CB-CG2 4.08Å; I108-V266 HydrophobicContact CD1-CG2 3.64Å; I108-V266 HydrophobicContact CG1-CG2 4.46Å; I108-V266 HydrophobicContact CG2-CG2 3.88Å; I227-V266 HydrophobicContact CB-CG1 4.47Å; I227-V266 HydrophobicContact CD1-CB 4.11Å; I227-V266 HydrophobicContact CD1-CG1 3.46Å; I227-V266 VanDerWaalsContact CD1-CG1 3.46Å; I227-V266 HydrophobicContact CG1-CB 4.16Å; I227-V266 HydrophobicContact CG1-CG1 3.86Å; I227-V266 HydrophobicContact CG2-CB 4.49Å; I227-V266 HydrophobicContact CG2-CG1 3.75Å; I238-V266 HydrophobicContact CD1-CB 4.11Å; I238-V266 HydrophobicContact CD1-CG2 3.55Å; A262-V266 WeakPolarHBondContact O-CG2 3.06Å; A262-V266 PolarHBondContact O-N 3.15Å; K264-V266 VanDerWaalsContact C-N 3.33Å; K264-V266 PolarHBondContact O-N 3.16Å; V266-L268 VanDerWaalsContact C-N 3.31Å; V266-L268 PolarHBondContact O-N 3.08Å; V266-A269 PolarHBondContact O-N 3.49Å; V266-Y270 VanDerWaalsContact O-CB 3.29Å; V266-Y270 WeakPolarHBondContact O-CB 3.38Å; V266-Y270 PolarHBondContact O-N 3.08Å
267	T	92.3	Very high	90.9	Very high	9 Å²	9	53.9 Å²	53.9	6%	0.055	29%	0.288	C	S	.	.	H	α-helix	trans	-56.2	-47.6	176.3	-63.1	0	0	0	0	110.5	I227 F228 A263 K264 Y270 G271 G272	I227-T267 WeakPolarHBondContact CA-OG1 3.2Å; F228-T267 HydrophobicContact CB-CG2 4.07Å; F228-T267 PolarHBondContact N-OG1 3.44Å; A263-T267 VanDerWaalsContact O-CB 3.31Å; A263-T267 WeakPolarHBondContact O-CB 3.39Å; A263-T267 PolarHBondContact O-N 2.6Å; A263-T267 PolarHBondContact O-OG1 3.01Å; K264-T267 PolarHBondContact O-N 3.33Å; T267-Y270 PolarHBondContact O-N 3.44Å; T267-G271 PolarHBondContact O-N 3.48Å; T267-G272 WeakPolarHBondContact O-CA 3.16Å; T267-G272 PolarHBondContact O-N 2.7Å
268	L	90.2	Very high	90.5	Very high	132 Å²	132	53.6 Å²	53.6	69%	0.691	28%	0.276	S	S	*	.	H	α-helix	trans	-65.1	-44.8	177.6	-70.9	170.1	0	0	0	112.3	K264 E265 V266 Y270 G271	K264-L268 WeakPolarHBondContact O-CG 3.49Å; K264-L268 PolarHBondContact O-N 3.37Å; E265-L268 PolarHBondContact O-N 3.23Å; V266-L268 VanDerWaalsContact C-N 3.31Å; V266-L268 PolarHBondContact O-N 3.08Å; L268-Y270 PolarHBondContact O-N 2.89Å; L268-G271 PolarHBondContact O-N 2.96Å
269	A	86.8	Confident	90	Very high	46 Å²	46	55.1 Å²	55.1	38%	0.38	28%	0.284	S	S	.	.	H	α-helix	trans	-64.4	-28	-179.8	0	0	0	0	0	112.5	I104 I108 E265 V266 G271	I104-A269 HydrophobicContact CG2-CB 3.6Å; I108-A269 HydrophobicContact CD1-CB 4.48Å; E265-A269 WeakPolarHBondContact O-CB 3.22Å; E265-A269 PolarHBondContact O-N 3.31Å; V266-A269 PolarHBondContact O-N 3.49Å; A269-G271 VanDerWaalsContact C-N 3.34Å
270	Y	81.2	Confident	89.4	Confident	44 Å²	44	58.8 Å²	58.8	17%	0.173	30%	0.303	C	S	.	.	H	α-helix	trans	-79.6	-13.8	173.2	-174	-107.5	0	0	0	113.8	R99 L101 D229 F235 V266 T267 L268	R99-Y270 HydrophobicContact CB-CE2 3.99Å; R99-Y270 WeakPolarHBondContact CD-OH 3.32Å; R99-Y270 HydrophobicContact CG-CE2 4.26Å; R99-Y270 PolarHBondContact NE-OH 3.44Å; R99-Y270 PolarHBondContact NH1-OH 2.89Å; L101-Y270 HydrophobicContact CD1-CD2 3.41Å; L101-Y270 VanDerWaalsContact CD1-CD2 3.41Å; L101-Y270 HydrophobicContact CD1-CE2 3.9Å; L101-Y270 HydrophobicContact CD1-CG 4.19Å; D229-Y270 HydrophobicContact CB-CE1 3.83Å; F235-Y270 HydrophobicContact CD1-CE1 4.16Å; F235-Y270 AromaticContact CE1-CD1 3.61Å; F235-Y270 HydrophobicContact CE1-CD1 3.61Å; F235-Y270 AromaticContact CE1-CE1 3.44Å; F235-Y270 HydrophobicContact CE1-CE1 3.44Å; F235-Y270 VanDerWaalsContact CE1-CE1 3.44Å; F235-Y270 HydrophobicContact CE1-CE2 4.47Å; F235-Y270 HydrophobicContact CE1-CG 4.2Å; F235-Y270 AromaticContact CE1-CZ 3.84Å; F235-Y270 HydrophobicContact CE2-CE1 4.48Å; F235-Y270 HydrophobicContact CE2-CE2 4.28Å; F235-Y270 AromaticContact CZ-CD1 3.82Å; F235-Y270 HydrophobicContact CZ-CD1 3.82Å; F235-Y270 HydrophobicContact CZ-CD2 4.05Å; F235-Y270 AromaticContact CZ-CE1 3.64Å; F235-Y270 HydrophobicContact CZ-CE1 3.64Å; F235-Y270 AromaticContact CZ-CE2 3.81Å; F235-Y270 HydrophobicContact CZ-CE2 3.81Å; F235-Y270 AromaticContact CZ-CG 3.97Å; F235-Y270 HydrophobicContact CZ-CG 3.97Å; F235-Y270 AromaticContact CZ-CZ 3.56Å; V266-Y270 VanDerWaalsContact O-CB 3.29Å; V266-Y270 WeakPolarHBondContact O-CB 3.38Å; V266-Y270 PolarHBondContact O-N 3.08Å; T267-Y270 PolarHBondContact O-N 3.44Å; L268-Y270 PolarHBondContact O-N 2.89Å
271	G	78.4	Confident	88.8	Confident	54 Å²	54	60.9 Å²	60.9	56%	0.557	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	12.9	-172.6	0	0	0	0	0	114.1	T267 L268 A269	T267-G271 PolarHBondContact O-N 3.48Å; L268-G271 PolarHBondContact O-N 2.96Å; A269-G271 VanDerWaalsContact C-N 3.34Å
272	G	80	Confident	88	Confident	8 Å²	8	57.2 Å²	57.2	8%	0.082	30%	0.301	C	S	.	.			trans	-81.4	171.4	176.1	0	0	0	0	0	113.9	D229 T267	D229-G272 WeakPolarHBondContact O-CA 3.43Å; T267-G272 WeakPolarHBondContact O-CA 3.16Å; T267-G272 PolarHBondContact O-N 2.7Å
273	M	79.5	Confident	87.3	Confident	89 Å²	89	61.6 Å²	61.6	44%	0.438	32%	0.324	S	S	.	.			trans	-142.9	150.9	177	54.9	-178.8	-45	0	0	110.8	F228 D229 R232	F228-M273 VanDerWaalsContact CB-O 3.32Å; F228-M273 WeakPolarHBondContact CB-O 3.48Å; D229-M273 PolarHBondContact O-N 3.24Å; D229-M273 VanDerWaalsContact O-N 3.07Å; R232-M273 WeakPolarHBondContact CA-O 3.08Å; R232-M273 HydrophobicContact CG-CG 3.76Å; R232-M273 WeakPolarHBondContact CG-O 3.32Å; R232-M273 HydrophobicContact CG-SD 4.48Å; R232-M273 VanDerWaalsContact NH2-CE 3.29Å
274	R	77.5	Confident	86.4	Confident	148 Å²	148	66.9 Å²	66.9	56%	0.558	35%	0.351	S	S	*	.			trans	-106.6	0	175.8	-173.3	177.2	176.2	178.6	-3.5	110.6	F228	F228-R274 HydrophobicContact CD2-CB 4.05Å; F228-R274 HydrophobicContact CD2-CG 4.02Å; F228-R274 HydrophobicContact CE2-CB 4.33Å; F228-R274 HydrophobicContact CE2-CG 3.81Å; F228-R274 HydrophobicContact CG-CB 4.48Å; F228-R274 HydrophobicContact CZ-CG 4.13Å

Retrieved 274 of 274 residues in 256.4 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).