A0A077Z0T1_TRITR Loading...

Enoyl coenzyme A hydratase, mitochondrial

AlphaFold DB , UniProt , Accession A0A077Z0T1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 277 aa.

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(Predicted Aligned Error values between residue pairs)

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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	52.4	Low	48.8	Very low	202 Å²	202	117.8 Å²	117.8	100%	0.995	61%	0.614	S	S	*	*				0	-32.6	0	-153.1	175.6	-93.3	0	0	112.8	S4	M1-S4 PolarHBondContact O-OG 2.67Å
2	F	47.5	Very low	48.4	Very low	182 Å²	182	117.6 Å²	117.6	80%	0.798	61%	0.612	S	S	*	*			trans	-72.1	-30.9	179.2	-80	-83.8	0	0	0	116.1	S4 L5	F2-S4 VanDerWaalsContact C-N 3.33Å; F2-S4 PolarHBondContact O-N 3.12Å; F2-L5 PolarHBondContact O-N 3.25Å
3	S	46.7	Very low	48.4	Very low	101 Å²	101	117.2 Å²	117.2	71%	0.706	61%	0.609	S	S	*	*	H	α-helix	trans	-71.7	-23.9	-178.3	74.8	0	0	0	0	114.2	S7	S3-S7 PolarHBondContact O-N 3.26Å
4	S	53.4	Low	48.3	Very low	61 Å²	61	115.5 Å²	115.5	43%	0.427	61%	0.606	S	S	.	*	H	α-helix	trans	-80.7	-19.1	179.5	68.5	0	0	0	0	113.7	M1 F2 S7 K8	M1-S4 PolarHBondContact O-OG 2.67Å; F2-S4 VanDerWaalsContact C-N 3.33Å; F2-S4 PolarHBondContact O-N 3.12Å; S4-S7 PolarHBondContact O-OG 3.29Å; S4-K8 WeakPolarHBondContact O-CG 3.36Å
5	L	48.6	Very low	47.9	Very low	95 Å²	95	119.7 Å²	119.7	50%	0.497	62%	0.617	S	S	.	*	H	α-helix	trans	-78.1	-41.8	173.8	-93.9	128.2	0	0	0	111.6	F2 S7 K8 F9	F2-L5 PolarHBondContact O-N 3.25Å; L5-S7 PolarHBondContact O-N 3.14Å; L5-K8 PolarHBondContact O-N 2.97Å; L5-F9 PolarHBondContact O-N 3.44Å
6	L	49.3	Very low	47.3	Very low	116 Å²	116	118.3 Å²	118.3	61%	0.607	62%	0.622	S	S	*	*	H	α-helix	trans	-62.4	-40.5	177.3	-92.2	143.3	0	0	0	112.6	F9 Q10	L6-F9 PolarHBondContact O-N 2.88Å; L6-Q10 PolarHBondContact O-N 2.75Å; L6-Q10 VanDerWaalsContact O-N 3.09Å
7	S	48.5	Very low	46.8	Very low	67 Å²	67	119.2 Å²	119.2	47%	0.469	63%	0.626	S	S	.	*	H	α-helix	trans	-68.4	-35.1	177.3	66.7	0	0	0	0	112.6	S3 S4 L5 S11	S3-S7 PolarHBondContact O-N 3.26Å; S4-S7 PolarHBondContact O-OG 3.29Å; L5-S7 PolarHBondContact O-N 3.14Å; S7-S11 WeakPolarHBondContact O-CB 3.13Å; S7-S11 PolarHBondContact O-N 2.56Å
8	K	49.7	Very low	46.2	Very low	143 Å²	143	124.9 Å²	124.9	62%	0.622	64%	0.638	S	S	*	*	H	α-helix	trans	-66.1	-42.8	174.4	-80.2	-176.7	177.7	-176.1	0	111.8	S4 L5 S11 I12	S4-K8 WeakPolarHBondContact O-CG 3.36Å; L5-K8 PolarHBondContact O-N 2.97Å; K8-S11 PolarHBondContact O-N 3.45Å; K8-S11 PolarHBondContact O-OG 3.21Å; K8-I12 WeakPolarHBondContact O-CG1 3.04Å; K8-I12 PolarHBondContact O-N 2.93Å
9	F	48	Very low	45.6	Very low	134 Å²	134	128 Å²	128	59%	0.588	65%	0.65	S	S	*	*	H	α-helix	trans	-63.1	-44.4	177.1	-96	-83.3	0	0	0	112.7	L5 L6 S11 I12 I13	L5-F9 PolarHBondContact O-N 3.44Å; L6-F9 PolarHBondContact O-N 2.88Å; F9-S11 VanDerWaalsContact C-N 3.31Å; F9-S11 PolarHBondContact O-N 3.4Å; F9-I12 PolarHBondContact O-N 3.26Å; F9-I13 PolarHBondContact O-N 3.13Å
10	Q	46.5	Very low	45.2	Very low	137 Å²	137	128.1 Å²	128.1	64%	0.64	66%	0.657	S	S	*	*	H	α-helix	trans	-63.3	-37.2	174.5	-76.7	-177.7	-26.4	0	0	112.1	L6 I12 I13 V14	L6-Q10 PolarHBondContact O-N 2.75Å; L6-Q10 VanDerWaalsContact O-N 3.09Å; Q10-I12 VanDerWaalsContact C-N 3.35Å; Q10-I12 PolarHBondContact O-N 3.03Å; Q10-I13 PolarHBondContact O-N 3.43Å; Q10-V14 VanDerWaalsContact O-CG2 3.3Å; Q10-V14 WeakPolarHBondContact O-CG2 3.27Å; Q10-V14 PolarHBondContact O-N 2.86Å; Q10-V14 VanDerWaalsContact O-N 3.09Å
11	S	46.6	Very low	44.6	Very low	58 Å²	58	126.6 Å²	126.6	41%	0.406	66%	0.658	S	S	.	*	H	α-helix	trans	-68.5	-31.7	178.3	83.6	0	0	0	0	113.6	S7 K8 F9 K15	S7-S11 WeakPolarHBondContact O-CB 3.13Å; S7-S11 PolarHBondContact O-N 2.56Å; K8-S11 PolarHBondContact O-N 3.45Å; K8-S11 PolarHBondContact O-OG 3.21Å; F9-S11 VanDerWaalsContact C-N 3.31Å; F9-S11 PolarHBondContact O-N 3.4Å; S11-K15 WeakPolarHBondContact O-CB 3.37Å; S11-K15 PolarHBondContact O-N 3.24Å; S11-K15 VanDerWaalsContact O-N 3.11Å
12	I	44.2	Very low	43.8	Very low	115 Å²	115	125.3 Å²	125.3	59%	0.59	65%	0.654	S	S	*	*	H	α-helix	trans	-72	-41	178.9	-70.6	166.3	0	0	0	110.2	K8 F9 Q10	K8-I12 WeakPolarHBondContact O-CG1 3.04Å; K8-I12 PolarHBondContact O-N 2.93Å; F9-I12 PolarHBondContact O-N 3.26Å; Q10-I12 VanDerWaalsContact C-N 3.35Å; Q10-I12 PolarHBondContact O-N 3.03Å
13	I	47.8	Very low	43.2	Very low	112 Å²	112	122.1 Å²	122.1	57%	0.574	65%	0.65	S	S	*	*	H	α-helix	trans	-69.3	-38.6	178	-64.5	174.7	0	0	0	111.2	F9 Q10	F9-I13 PolarHBondContact O-N 3.13Å; Q10-I13 PolarHBondContact O-N 3.43Å
14	V	46.8	Very low	42.7	Very low	94 Å²	94	122 Å²	122	57%	0.57	65%	0.65	S	S	*	*	H	α-helix	trans	-75.6	-30.5	-178.4	176.7	0	0	0	0	112.4	Q10	Q10-V14 VanDerWaalsContact O-CG2 3.3Å; Q10-V14 WeakPolarHBondContact O-CG2 3.27Å; Q10-V14 PolarHBondContact O-N 2.86Å; Q10-V14 VanDerWaalsContact O-N 3.09Å
15	K	42.4	Very low	42.5	Very low	178 Å²	178	127 Å²	127	77%	0.774	67%	0.671	S	S	*	*	H	α-helix	trans	-76.1	-27.2	-178.9	-86.2	-173.2	174.4	-177.5	0	114.4	S11 L17	S11-K15 WeakPolarHBondContact O-CB 3.37Å; S11-K15 PolarHBondContact O-N 3.24Å; S11-K15 VanDerWaalsContact O-N 3.11Å; K15-L17 PolarHBondContact O-N 3.4Å
16	S	39.2	Very low	43.2	Very low	98 Å²	98	127.1 Å²	127.1	69%	0.685	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-10.7	178.4	77.8	0	0	0	0	113.6
17	L	37.7	Very low	45.1	Very low	134 Å²	134	127.6 Å²	127.6	70%	0.702	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-0.4	-175.6	-75.7	167.8	0	0	0	115	K15	K15-L17 PolarHBondContact O-N 3.4Å
18	R	36.8	Very low	47.4	Very low	222 Å²	222	125 Å²	125	84%	0.838	66%	0.657	S	S	*	*	S	Bend	trans	-95.9	9.6	-175.6	-84.1	-168.3	178.1	-169.4	-0.1	116.7
19	Q	34.1	Very low	49.6	Very low	183 Å²	183	118.5 Å²	118.5	86%	0.855	63%	0.63	S	S	*	*	S	Bend	trans	-143.6	63.2	176.2	-82.2	-172.6	-32.3	0	0	113.5
20	V	37.3	Very low	52	Low	130 Å²	130	114.9 Å²	114.9	79%	0.788	62%	0.616	S	S	*	*	S	Bend	trans	-147.4	126.8	147.5	-172.4	0	0	0	0	108.6
21	S	33.2	Very low	54.5	Low	97 Å²	97	111.3 Å²	111.3	68%	0.678	60%	0.598	S	S	*	*			trans	-53.8	131.7	-179.8	47.3	0	0	0	0	115.4	T23	S21-T23 PolarHBondContact O-N 3.35Å
22	D	36.2	Very low	56.9	Low	174 Å²	174	113.3 Å²	113.3	93%	0.93	60%	0.601	S	S	*	*	S	Bend	trans	11.2	23.7	151.3	-113.5	-3.9	0	0	0	124.2
23	T	33.7	Very low	59.4	Low	115 Å²	115	112.5 Å²	112.5	71%	0.706	60%	0.595	S	S	*	*			trans	-117.6	95.4	155.9	22.7	0	0	0	0	106.3	S21 L25	S21-T23 PolarHBondContact O-N 3.35Å; T23-L25 PolarHBondContact O-N 2.86Å
24	S	37.2	Very low	61.8	Low	100 Å²	100	109.5 Å²	109.5	70%	0.699	58%	0.58	S	S	*	*			trans	-52.7	104.4	170.7	57.7	0	0	0	0	108.1	T26	S24-T26 PolarHBondContact O-N 2.84Å
25	L	47.9	Very low	64.2	Low	166 Å²	166	107.5 Å²	107.5	87%	0.869	58%	0.578	S	S	*	*			trans	-68.1	73	169.4	-71.8	165.3	0	0	0	107.1	T23 E27	T23-L25 PolarHBondContact O-N 2.86Å; L25-E27 PolarHBondContact O-N 3.17Å
26	T	63.9	Low	66.8	Low	96 Å²	96	102 Å²	102	59%	0.589	56%	0.557	S	S	*	*			trans	-65.4	124.9	171.4	43.1	0	0	0	0	107.6	S24 A28	S24-T26 PolarHBondContact O-N 2.84Å; T26-A28 PolarHBondContact O-N 3.26Å
27	E	89.3	Confident	69.7	Low	126 Å²	126	97.4 Å²	97.4	59%	0.589	53%	0.525	S	S	*	.			trans	-56.8	135.9	178	-63.6	179.5	162.1	0	0	110.7	L25 V29 L30 N43	L25-E27 PolarHBondContact O-N 3.17Å; E27-V29 PolarHBondContact O-N 2.9Å; E27-L30 HydrophobicContact CB-CD2 4.13Å; E27-N43 PolarHBondContact O-ND2 3Å
28	A	95.8	Very high	72.6	Confident	14 Å²	14	91 Å²	91	12%	0.116	49%	0.491	C	S	.	.	S	Bend	trans	-66.9	-25.1	-178.5	0	0	0	0	0	112.9	T26 N43 D54 V55	T26-A28 PolarHBondContact O-N 3.26Å; A28-N43 PolarHBondContact O-N 3.17Å; A28-D54 HydrophobicContact CB-CB 4.18Å; A28-V55 HydrophobicContact CB-CG2 3.91Å
29	V	97.6	Very high	75.5	Confident	6 Å²	6	80.8 Å²	80.8	4%	0.036	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	133.7	170.6	179.8	0	0	0	0	108.2	E27 V40 A41 L42 V55 L59 A62	E27-V29 PolarHBondContact O-N 2.9Å; V29-V40 HydrophobicContact CG1-CG1 3.61Å; V29-A41 CarbonylContact C-O 3.42Å; V29-A41 WeakPolarHBondContact CA-O 3.45Å; V29-A41 WeakPolarHBondContact CG1-O 3.1Å; V29-L42 HydrophobicContact CG2-CD2 4.2Å; V29-V55 HydrophobicContact CG2-CG1 4.19Å; V29-L59 HydrophobicContact CG1-CD2 4.02Å; V29-L59 HydrophobicContact CG2-CD2 3.87Å; V29-L59 HydrophobicContact CG2-CG 3.8Å; V29-A62 HydrophobicContact CG1-CB 4.39Å
30	L	98	Very high	78.6	Confident	58 Å²	58	72.1 Å²	72.1	30%	0.304	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	145	174.5	-56.7	170.4	0	0	0	110.2	E27 V40 A41 N43	E27-L30 HydrophobicContact CB-CD2 4.13Å; L30-V40 WeakPolarHBondContact O-CA 3.36Å; L30-A41 HydrophobicContact CB-CB 4.13Å; L30-A41 PolarHBondContact N-O 3.31Å; L30-A41 PolarHBondContact O-N 3.46Å; L30-N43 HydrophobicContact CD1-CB 4.05Å; L30-N43 HydrophobicContact CG-CB 3.82Å
31	F	97.9	Very high	81.5	Confident	61 Å²	61	66 Å²	66	27%	0.268	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.8	175	-170.1	-86.5	0	0	0	110.4	S38 L39 V40 A62 L65 F66 L72	F31-S38 WeakPolarHBondContact CZ-OG 3.43Å; F31-L39 WeakPolarHBondContact CA-O 3.39Å; F31-V40 HydrophobicContact CD2-CG2 3.94Å; F31-V40 HydrophobicContact CE2-CG2 4.07Å; F31-A62 HydrophobicContact CD2-CB 3.84Å; F31-A62 WeakPolarHBondContact CE2-O 3.42Å; F31-L65 HydrophobicContact CD1-CD2 3.81Å; F31-L65 HydrophobicContact CE1-CD2 3.54Å; F31-L65 HydrophobicContact CE1-CG 4.3Å; F31-L65 HydrophobicContact CE2-CD2 4.35Å; F31-L65 HydrophobicContact CG-CD2 4.3Å; F31-L65 HydrophobicContact CZ-CD2 3.82Å; F31-L65 HydrophobicContact CZ-CG 4.16Å; F31-F66 HydrophobicContact CE2-CB 4.24Å; F31-L72 HydrophobicContact CE1-CD1 4.19Å; F31-L72 HydrophobicContact CZ-CD1 3.76Å
32	E	97.8	Very high	84.6	Confident	101 Å²	101	61.4 Å²	61.4	47%	0.472	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.5	177.4	-179.3	-174.4	172.4	0	0	110	I34 S38 L39	E32-I34 HydrophobicContact CG-CG1 4.36Å; E32-S38 CarbonylContact O-C 3.57Å; E32-S38 WeakPolarHBondContact O-CA 3.3Å; E32-L39 HydrophobicContact CB-CB 4.27Å; E32-L39 PolarHBondContact N-O 3.43Å; E32-L39 PolarHBondContact O-N 2.9Å
33	Q	97.5	Very high	87.5	Confident	98 Å²	98	54.5 Å²	54.5	46%	0.458	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.4	173.9	174.5	173.9	2.3	0	0	110.5	G35 V37 S71 L72	Q33-G35 VanDerWaalsContact CG-O 3.24Å; Q33-G35 WeakPolarHBondContact CG-O 3.25Å; Q33-G35 PolarHBondContact NE2-O 3.48Å; Q33-V37 WeakPolarHBondContact CA-O 3.42Å; Q33-S71 PolarHBondContact NE2-OG 2.75Å; Q33-L72 HydrophobicContact CB-CD2 4.23Å; Q33-L72 HydrophobicContact CG-CD2 3.56Å
34	I	97.5	Very high	90.6	Very high	48 Å²	48	50.5 Å²	50.5	25%	0.246	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	97.2	171.1	-56.6	-176.9	0	0	0	108.3	E32 N36 V37 L39 L207	E32-I34 HydrophobicContact CG-CG1 4.36Å; I34-N36 PolarHBondContact O-N 3.01Å; I34-V37 PolarHBondContact N-O 3.2Å; I34-V37 PolarHBondContact O-N 3.4Å; I34-L39 HydrophobicContact CD1-CD1 3.54Å; I34-L39 HydrophobicContact CD1-CG 4.2Å; I34-L39 HydrophobicContact CG1-CD1 4.29Å; I34-L207 HydrophobicContact CD1-CD2 3.99Å
35	G	96.8	Very high	93.5	Very high	52 Å²	52	48 Å²	48	54%	0.536	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	-121.3	-173.4	0	0	0	0	0	111	Q33	Q33-G35 VanDerWaalsContact CG-O 3.24Å; Q33-G35 WeakPolarHBondContact CG-O 3.25Å; Q33-G35 PolarHBondContact NE2-O 3.48Å
36	N	98.1	Very high	95.8	Very high	63 Å²	63	46.7 Å²	46.7	34%	0.337	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	8.6	176.1	-56.4	107.5	0	0	0	113.7	I34 S71 K73 V74	I34-N36 PolarHBondContact O-N 3.01Å; N36-S71 WeakPolarHBondContact CA-O 3.39Å; N36-S71 WeakPolarHBondContact CB-O 3.1Å; N36-S71 PolarHBondContact ND2-O 3.4Å; N36-K73 HydrophobicContact CB-CB 4.14Å; N36-K73 HydrophobicContact CB-CD 3.86Å; N36-K73 HydrophobicContact CB-CG 4Å; N36-K73 PolarHBondContact O-N 3.5Å; N36-V74 PolarHBondContact O-N 3.29Å
37	V	98.7	Very high	97.4	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	133.6	-178.7	-178.7	0	0	0	0	110.2	Q33 I34 L39 V74 V76 L207 A210 R211	Q33-V37 WeakPolarHBondContact CA-O 3.42Å; I34-V37 PolarHBondContact N-O 3.2Å; I34-V37 PolarHBondContact O-N 3.4Å; V37-L39 HydrophobicContact CG1-CD2 4.34Å; V37-V74 CarbonylContact C-O 3.58Å; V37-V74 VanDerWaalsContact CA-O 3.28Å; V37-V74 WeakPolarHBondContact CA-O 3.23Å; V37-V76 HydrophobicContact CG1-CG2 4.06Å; V37-L207 HydrophobicContact CB-CD1 4.16Å; V37-L207 HydrophobicContact CG1-CD1 3.87Å; V37-L207 HydrophobicContact CG2-CD1 4.44Å; V37-A210 HydrophobicContact CB-CB 4.39Å; V37-A210 HydrophobicContact CG1-CB 3.66Å; V37-A210 HydrophobicContact CG2-CB 3.74Å; V37-R211 HydrophobicContact CG2-CG 4.38Å
38	S	98.6	Very high	97.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.8	169.4	-59.9	0	0	0	0	110.4	F31 E32 F66 L72 V74 A75 V76	F31-S38 WeakPolarHBondContact CZ-OG 3.43Å; E32-S38 CarbonylContact O-C 3.57Å; E32-S38 WeakPolarHBondContact O-CA 3.3Å; S38-F66 WeakPolarHBondContact OG-CD2 3.35Å; S38-L72 VanDerWaalsContact OG-CD1 3.27Å; S38-L72 WeakPolarHBondContact OG-CD1 3.24Å; S38-L72 WeakPolarHBondContact OG-CD2 3.38Å; S38-V74 PolarHBondContact N-O 3.46Å; S38-A75 CarbonylContact O-C 3.46Å; S38-A75 VanDerWaalsContact O-CA 3.28Å; S38-A75 WeakPolarHBondContact O-CA 3.32Å; S38-V76 PolarHBondContact O-N 3.25Å
39	L	98.7	Very high	97.8	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.042	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	119.5	166.2	-60.1	-171	0	0	0	108.6	F31 E32 I34 V37 V76 Y78 L203 L207	F31-L39 WeakPolarHBondContact CA-O 3.39Å; E32-L39 HydrophobicContact CB-CB 4.27Å; E32-L39 PolarHBondContact N-O 3.43Å; E32-L39 PolarHBondContact O-N 2.9Å; I34-L39 HydrophobicContact CD1-CD1 3.54Å; I34-L39 HydrophobicContact CD1-CG 4.2Å; I34-L39 HydrophobicContact CG1-CD1 4.29Å; V37-L39 HydrophobicContact CG1-CD2 4.34Å; L39-V76 HydrophobicContact CD2-CB 3.73Å; L39-V76 HydrophobicContact CD2-CG1 4.35Å; L39-V76 HydrophobicContact CD2-CG2 4.13Å; L39-Y78 HydrophobicContact CB-CE1 4.14Å; L39-L203 HydrophobicContact CD2-CD1 4.13Å; L39-L207 HydrophobicContact CD2-CD1 4.26Å
40	V	98.5	Very high	97.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	110.4	177.6	-175.2	0	0	0	0	107.5	V29 L30 F31 L59 A62 F63 V76 L77 Y78	V29-V40 HydrophobicContact CG1-CG1 3.61Å; L30-V40 WeakPolarHBondContact O-CA 3.36Å; F31-V40 HydrophobicContact CD2-CG2 3.94Å; F31-V40 HydrophobicContact CE2-CG2 4.07Å; V40-L59 HydrophobicContact CG1-CD2 4.06Å; V40-A62 HydrophobicContact CG1-CB 3.97Å; V40-F63 HydrophobicContact CB-CZ 4.42Å; V40-F63 HydrophobicContact CG1-CE2 4.11Å; V40-F63 HydrophobicContact CG1-CZ 4.31Å; V40-F63 HydrophobicContact CG2-CE1 4.37Å; V40-F63 HydrophobicContact CG2-CZ 4.33Å; V40-V76 PolarHBondContact N-O 2.94Å; V40-L77 HydrophobicContact CB-CD1 4.19Å; V40-L77 HydrophobicContact CG1-CD1 3.96Å; V40-L77 WeakPolarHBondContact O-CA 3.41Å; V40-Y78 WeakPolarHBondContact O-CD1 3.47Å; V40-Y78 PolarHBondContact O-N 2.99Å
41	A	98.6	Very high	97.6	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.1	-172.1	0	0	0	0	0	111.4	V29 L30 N43 Y78 K80	V29-A41 CarbonylContact C-O 3.42Å; V29-A41 WeakPolarHBondContact CA-O 3.45Å; V29-A41 WeakPolarHBondContact CG1-O 3.1Å; L30-A41 HydrophobicContact CB-CB 4.13Å; L30-A41 PolarHBondContact N-O 3.31Å; L30-A41 PolarHBondContact O-N 3.46Å; A41-N43 PolarHBondContact O-N 2.87Å; A41-Y78 CarbonylContact C-O 3.37Å; A41-Y78 WeakPolarHBondContact CA-O 3.31Å; A41-Y78 HydrophobicContact CB-CD1 3.98Å; A41-Y78 HydrophobicContact CB-CE1 3.3Å; A41-Y78 HydrophobicContact CB-CE2 3.96Å; A41-Y78 WeakPolarHBondContact CB-OH 3.3Å; A41-K80 HydrophobicContact CB-CG 4.12Å
42	L	98.4	Very high	97.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	125.4	162	-56.6	174.8	0	0	0	108.2	V29 N49 V55 L59 L77 Y78 K80 F84 L134	V29-L42 HydrophobicContact CG2-CD2 4.2Å; L42-N49 HydrophobicContact CB-CB 3.8Å; L42-N49 HydrophobicContact CD1-CB 4.29Å; L42-N49 PolarHBondContact O-OD1 2.96Å; L42-V55 HydrophobicContact CD2-CG1 3.74Å; L42-L59 HydrophobicContact CD2-CD1 4.07Å; L42-L59 HydrophobicContact CD2-CD2 3.85Å; L42-L59 HydrophobicContact CD2-CG 4.2Å; L42-L77 HydrophobicContact CG-CD1 4.48Å; L42-Y78 PolarHBondContact N-O 3.26Å; L42-K80 PolarHBondContact O-N 2.74Å; L42-F84 WeakPolarHBondContact CD1-O 3.47Å; L42-L134 HydrophobicContact CD1-CD1 4.28Å
43	N	98	Very high	97.1	Very high	29 Å²	29	33 Å²	33	16%	0.155	18%	0.18	C	C	.	.			trans	-127.8	54	-167.4	-172.9	47.4	0	0	0	112	E27 A28 L30 A41	E27-N43 PolarHBondContact O-ND2 3Å; A28-N43 PolarHBondContact O-N 3.17Å; L30-N43 HydrophobicContact CD1-CB 4.05Å; L30-N43 HydrophobicContact CG-CB 3.82Å; A41-N43 PolarHBondContact O-N 2.87Å
44	R	97.7	Very high	96.9	Very high	31 Å²	31	32.3 Å²	32.3	12%	0.117	18%	0.18	C	C	.	.			trans	-130	54.4	170.3	-58.8	179.4	68.9	-142.4	5.6	110.5	Q46 K47 T48 N49 A50 V55 D89	R44-Q46 VanDerWaalsContact C-OE1 3.26Å; R44-Q46 PolarHBondContact O-N 2.92Å; R44-Q46 VanDerWaalsContact O-N 3.13Å; R44-K47 CarbonylContact O-C 3.52Å; R44-K47 PolarHBondContact O-N 2.85Å; R44-T48 PolarHBondContact O-N 3.31Å; R44-N49 WeakPolarHBondContact CA-OD1 3.29Å; R44-N49 PolarHBondContact N-OD1 3.03Å; R44-N49 PolarHBondContact O-N 2.82Å; R44-N49 PolarHBondContact O-OD1 2.82Å; R44-A50 PolarHBondContact NH1-O 3.03Å; R44-V55 VanDerWaalsContact CD-CG2 3.42Å; R44-V55 HydrophobicContact CG-CG2 4.25Å; R44-D89 IonicContact CZ-OD2 2.74Å; R44-D89 VanDerWaalsContact CZ-OD2 3.23Å; R44-D89 IonicContact NH1-OD2 3.23Å; R44-D89 PolarHBondContact NH1-OD2 3.4Å; R44-D89 IonicContact NH2-OD2 3.87Å; R44-D89 PolarHBondContact NH2-OD2 3.14Å
45	P	97.6	Very high	96.8	Very high	49 Å²	49	30.1 Å²	30.1	32%	0.318	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-56.8	-32.4	-174.1	24.4	-36	0	0	0	113.5	K47 T48	P45-K47 PolarHBondContact O-N 2.9Å; P45-T48 PolarHBondContact O-N 3.12Å
46	Q	96.7	Very high	96.6	Very high	137 Å²	137	27.9 Å²	27.9	64%	0.64	15%	0.145	S	C	*	.	G	3₁₀ helix	trans	-64.2	-17	175.9	71	-73.8	-2.2	0	0	114.5	R44	R44-Q46 VanDerWaalsContact C-OE1 3.26Å; R44-Q46 PolarHBondContact O-N 2.92Å; R44-Q46 VanDerWaalsContact O-N 3.13Å
47	K	96.8	Very high	96.3	Very high	85 Å²	85	30.3 Å²	30.3	37%	0.37	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-120.3	25.8	174	-67.9	-73.3	-166.6	163.8	0	110.3	R44 P45 N49 A50 E91	R44-K47 CarbonylContact O-C 3.52Å; R44-K47 PolarHBondContact O-N 2.85Å; P45-K47 PolarHBondContact O-N 2.9Å; K47-N49 PolarHBondContact O-N 2.81Å; K47-N49 VanDerWaalsContact O-N 3.08Å; K47-A50 HydrophobicContact CB-CB 4.33Å; K47-A50 VanDerWaalsContact O-CB 3.29Å; K47-A50 WeakPolarHBondContact O-CB 3.31Å; K47-A50 PolarHBondContact O-N 3.37Å; K47-E91 IonicContact NZ-OE2 2.68Å; K47-E91 PolarHBondContact NZ-OE2 3.06Å
48	T	97.4	Very high	96.1	Very high	45 Å²	45	31.9 Å²	31.9	28%	0.276	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	36.1	-179.4	-43.7	0	0	0	0	112.4	R44 P45 A50 N83 S85 S86 Y126	R44-T48 PolarHBondContact O-N 3.31Å; P45-T48 PolarHBondContact O-N 3.12Å; T48-A50 PolarHBondContact O-N 3.03Å; T48-N83 HydrophobicContact CG2-CB 3.63Å; T48-S85 CarbonylContact O-C 3.59Å; T48-S85 WeakPolarHBondContact O-CA 3.27Å; T48-S86 PolarHBondContact O-N 2.88Å; T48-S86 PolarHBondContact O-OG 3.48Å; T48-Y126 HydrophobicContact CG2-CD2 4.08Å
49	N	98	Very high	95.9	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.011	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	35.9	-176.9	-62.1	-38.3	0	0	0	113.9	L42 R44 K47 G79 K80 N83 F84 S85	L42-N49 HydrophobicContact CB-CB 3.8Å; L42-N49 HydrophobicContact CD1-CB 4.29Å; L42-N49 PolarHBondContact O-OD1 2.96Å; R44-N49 WeakPolarHBondContact CA-OD1 3.29Å; R44-N49 PolarHBondContact N-OD1 3.03Å; R44-N49 PolarHBondContact O-N 2.82Å; R44-N49 PolarHBondContact O-OD1 2.82Å; K47-N49 PolarHBondContact O-N 2.81Å; K47-N49 VanDerWaalsContact O-N 3.08Å; N49-G79 VanDerWaalsContact ND2-CA 3.34Å; N49-G79 WeakPolarHBondContact ND2-CA 3.39Å; N49-K80 PolarHBondContact ND2-N 2.81Å; N49-K80 PolarHBondContact ND2-O 2.84Å; N49-N83 PolarHBondContact ND2-O 2.76Å; N49-F84 WeakPolarHBondContact CB-O 3.33Å; N49-F84 PolarHBondContact ND2-O 2.9Å; N49-S85 WeakPolarHBondContact O-CB 3.47Å; N49-S85 PolarHBondContact O-OG 2.85Å
50	A	96.5	Very high	95.6	Very high	6 Å²	6	33.1 Å²	33.1	5%	0.05	17%	0.166	C	C	.	.			trans	-56.3	143.3	172.5	0	0	0	0	0	111.7	R44 K47 T48 G87 D89	R44-A50 PolarHBondContact NH1-O 3.03Å; K47-A50 HydrophobicContact CB-CB 4.33Å; K47-A50 VanDerWaalsContact O-CB 3.29Å; K47-A50 WeakPolarHBondContact O-CB 3.31Å; K47-A50 PolarHBondContact O-N 3.37Å; T48-A50 PolarHBondContact O-N 3.03Å; A50-G87 CarbonylContact C-O 3.59Å; A50-G87 VanDerWaalsContact CA-O 3.29Å; A50-G87 WeakPolarHBondContact CA-O 3.43Å; A50-D89 HydrophobicContact CB-CB 4.08Å
51	I	94.1	Very high	95.4	Very high	11 Å²	11	38 Å²	38	6%	0.056	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-92.8	108.7	-172.7	-59.8	158.6	0	0	0	108.4	V55 V56 G87 D89 E130 L134	I51-V55 HydrophobicContact CG1-CG1 4.41Å; I51-V55 HydrophobicContact CG2-CG1 4.19Å; I51-V56 HydrophobicContact CG2-CG2 3.62Å; I51-G87 PolarHBondContact N-O 2.78Å; I51-D89 PolarHBondContact O-N 3.48Å; I51-E130 HydrophobicContact CD1-CB 3.66Å; I51-L134 HydrophobicContact CD1-CD1 3.45Å; I51-L134 VanDerWaalsContact CD1-CD1 3.45Å; I51-L134 HydrophobicContact CD1-CG 4.12Å; I51-L134 HydrophobicContact CG1-CD1 4.09Å
52	N	92.9	Very high	95.3	Very high	18 Å²	18	38.3 Å²	38.3	10%	0.096	20%	0.195	C	C	.	.			trans	-112.6	178.1	174	78.5	-17.9	0	0	0	109.6	D54 V55 V56 D89 E92	N52-D54 PolarHBondContact O-N 3.35Å; N52-D54 PolarHBondContact OD1-N 3.02Å; N52-V55 PolarHBondContact O-N 3.04Å; N52-V55 VanDerWaalsContact O-N 3.14Å; N52-V55 WeakPolarHBondContact OD1-CG2 3.25Å; N52-V55 PolarHBondContact OD1-N 2.89Å; N52-V56 PolarHBondContact O-N 3.2Å; N52-D89 HydrophobicContact CB-CB 3.72Å; N52-E92 WeakPolarHBondContact CA-OE2 3.44Å; N52-E92 WeakPolarHBondContact CB-OE2 3.42Å
53	S	92.2	Very high	95.1	Very high	9 Å²	9	38.2 Å²	38.2	6%	0.063	20%	0.195	C	C	.	.	H	α-helix	trans	-55.7	-35.6	178.4	-60	0	0	0	0	113.5	V56 R57 E92 L99	S53-V56 PolarHBondContact O-N 3.11Å; S53-R57 WeakPolarHBondContact O-CB 3.35Å; S53-R57 PolarHBondContact O-N 2.98Å; S53-E92 WeakPolarHBondContact CB-OE1 3.45Å; S53-E92 PolarHBondContact N-OE2 2.82Å; S53-E92 PolarHBondContact OG-OE1 3.22Å; S53-L99 WeakPolarHBondContact OG-CD1 3.41Å
54	D	93.3	Very high	95	Very high	82 Å²	82	39.2 Å²	39.2	44%	0.439	20%	0.202	S	C	.	.	H	α-helix	trans	-71.5	-39.2	179	-64.5	-29.6	0	0	0	112.1	A28 N52 R57 S58	A28-D54 HydrophobicContact CB-CB 4.18Å; N52-D54 PolarHBondContact O-N 3.35Å; N52-D54 PolarHBondContact OD1-N 3.02Å; D54-R57 PolarHBondContact O-N 3.11Å; D54-R57 IonicContact OD1-CZ 2.96Å; D54-R57 IonicContact OD1-NH1 3.07Å; D54-R57 PolarHBondContact OD1-NH1 2.65Å; D54-S58 VanDerWaalsContact O-CB 3.31Å; D54-S58 WeakPolarHBondContact O-CB 3.25Å; D54-S58 PolarHBondContact O-N 3.15Å; D54-S58 PolarHBondContact O-OG 3.5Å; D54-S58 VanDerWaalsContact O-OG 3.1Å
55	V	94.5	Very high	94.9	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.012	22%	0.215	C	C	.	.	H	α-helix	trans	-59.6	-47.7	171.8	170	0	0	0	0	110.1	A28 V29 L42 R44 I51 N52 R57 S58 L59	A28-V55 HydrophobicContact CB-CG2 3.91Å; V29-V55 HydrophobicContact CG2-CG1 4.19Å; L42-V55 HydrophobicContact CD2-CG1 3.74Å; R44-V55 VanDerWaalsContact CD-CG2 3.42Å; R44-V55 HydrophobicContact CG-CG2 4.25Å; I51-V55 HydrophobicContact CG1-CG1 4.41Å; I51-V55 HydrophobicContact CG2-CG1 4.19Å; N52-V55 PolarHBondContact O-N 3.04Å; N52-V55 VanDerWaalsContact O-N 3.14Å; N52-V55 WeakPolarHBondContact OD1-CG2 3.25Å; N52-V55 PolarHBondContact OD1-N 2.89Å; V55-R57 PolarHBondContact O-N 2.82Å; V55-S58 PolarHBondContact O-N 3.42Å; V55-L59 HydrophobicContact CG1-CD1 3.82Å; V55-L59 HydrophobicContact CG1-CG 4.12Å; V55-L59 WeakPolarHBondContact O-CB 3.33Å; V55-L59 VanDerWaalsContact O-CG 3.27Å; V55-L59 WeakPolarHBondContact O-CG 3.31Å; V55-L59 PolarHBondContact O-N 3.14Å
56	V	92.5	Very high	94.9	Very high	6 Å²	6	39 Å²	39	4%	0.036	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-47.6	-179.9	177.7	0	0	0	0	111	I51 N52 S53 S58 L59 I60 L103 E106 F108	I51-V56 HydrophobicContact CG2-CG2 3.62Å; N52-V56 PolarHBondContact O-N 3.2Å; S53-V56 PolarHBondContact O-N 3.11Å; V56-S58 PolarHBondContact O-N 3.41Å; V56-L59 PolarHBondContact O-N 3.15Å; V56-I60 HydrophobicContact CG1-CD1 4.05Å; V56-I60 WeakPolarHBondContact O-CG1 3.32Å; V56-I60 PolarHBondContact O-N 3.18Å; V56-L103 HydrophobicContact CB-CD2 4.08Å; V56-L103 HydrophobicContact CG1-CD2 4.4Å; V56-L103 HydrophobicContact CG2-CD1 4.16Å; V56-L103 HydrophobicContact CG2-CD2 3.86Å; V56-L103 HydrophobicContact CG2-CG 4.42Å; V56-E106 HydrophobicContact CG1-CB 4.32Å; V56-E106 VanDerWaalsContact CG1-OE2 3.26Å; V56-E106 WeakPolarHBondContact CG1-OE2 3.09Å; V56-F108 HydrophobicContact CG1-CB 3.87Å; V56-F108 HydrophobicContact CG1-CG 4.26Å
57	R	91.9	Very high	94.9	Very high	113 Å²	113	36 Å²	36	43%	0.426	19%	0.185	S	C	.	.	H	α-helix	trans	-60.8	-43.4	177	-166.5	-179	-54.6	106.8	11	112.5	S53 D54 V55 I60 N61	S53-R57 WeakPolarHBondContact O-CB 3.35Å; S53-R57 PolarHBondContact O-N 2.98Å; D54-R57 PolarHBondContact O-N 3.11Å; D54-R57 IonicContact OD1-CZ 2.96Å; D54-R57 IonicContact OD1-NH1 3.07Å; D54-R57 PolarHBondContact OD1-NH1 2.65Å; V55-R57 PolarHBondContact O-N 2.82Å; R57-I60 PolarHBondContact O-N 3.04Å; R57-N61 PolarHBondContact O-N 3.36Å
58	S	94.2	Very high	94.8	Very high	34 Å²	34	37.3 Å²	37.3	24%	0.238	20%	0.196	C	C	.	.	H	α-helix	trans	-69.1	-35.7	177.9	-65.9	0	0	0	0	112.3	D54 V55 V56 N61 A62	D54-S58 VanDerWaalsContact O-CB 3.31Å; D54-S58 WeakPolarHBondContact O-CB 3.25Å; D54-S58 PolarHBondContact O-N 3.15Å; D54-S58 PolarHBondContact O-OG 3.5Å; D54-S58 VanDerWaalsContact O-OG 3.1Å; V55-S58 PolarHBondContact O-N 3.42Å; V56-S58 PolarHBondContact O-N 3.41Å; S58-N61 PolarHBondContact O-N 2.86Å; S58-A62 VanDerWaalsContact O-CB 3.31Å; S58-A62 WeakPolarHBondContact O-CB 3.37Å; S58-A62 PolarHBondContact O-N 2.92Å
59	L	94.8	Very high	94.8	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-43.8	171.9	-74.7	175.2	0	0	0	111.2	V29 V40 L42 V55 V56 N61 A62 F63 L77 F108 L134	V29-L59 HydrophobicContact CG1-CD2 4.02Å; V29-L59 HydrophobicContact CG2-CD2 3.87Å; V29-L59 HydrophobicContact CG2-CG 3.8Å; V40-L59 HydrophobicContact CG1-CD2 4.06Å; L42-L59 HydrophobicContact CD2-CD1 4.07Å; L42-L59 HydrophobicContact CD2-CD2 3.85Å; L42-L59 HydrophobicContact CD2-CG 4.2Å; V55-L59 HydrophobicContact CG1-CD1 3.82Å; V55-L59 HydrophobicContact CG1-CG 4.12Å; V55-L59 WeakPolarHBondContact O-CB 3.33Å; V55-L59 VanDerWaalsContact O-CG 3.27Å; V55-L59 WeakPolarHBondContact O-CG 3.31Å; V55-L59 PolarHBondContact O-N 3.14Å; V56-L59 PolarHBondContact O-N 3.15Å; L59-N61 VanDerWaalsContact C-N 3.32Å; L59-N61 PolarHBondContact O-N 3.33Å; L59-A62 PolarHBondContact O-N 3.49Å; L59-F63 HydrophobicContact CB-CD2 4.49Å; L59-F63 HydrophobicContact CD2-CD2 4.42Å; L59-F63 HydrophobicContact CD2-CE2 4.03Å; L59-F63 WeakPolarHBondContact O-CB 3.22Å; L59-F63 WeakPolarHBondContact O-CD2 3.49Å; L59-F63 PolarHBondContact O-N 2.77Å; L59-L77 HydrophobicContact CD2-CD1 4.11Å; L59-F108 HydrophobicContact CB-CD2 4.04Å; L59-F108 HydrophobicContact CB-CE2 3.43Å; L59-F108 VanDerWaalsContact CB-CE2 3.43Å; L59-F108 HydrophobicContact CB-CZ 3.93Å; L59-F108 HydrophobicContact CD1-CE1 4.23Å; L59-F108 HydrophobicContact CD1-CE2 4.09Å; L59-F108 HydrophobicContact CD1-CZ 3.67Å; L59-F108 HydrophobicContact CG-CE2 4.32Å; L59-F108 HydrophobicContact CG-CZ 4.33Å; L59-L134 HydrophobicContact CD1-CD1 4.38Å; L59-L134 HydrophobicContact CD1-CD2 4.28Å
60	I	93	Very high	94.7	Very high	33 Å²	33	43.6 Å²	43.6	17%	0.169	24%	0.238	C	C	.	.	H	α-helix	trans	-56.2	-48.1	174.7	-71.3	167.9	0	0	0	110.4	V56 R57 T64 E106 F108 L111	V56-I60 HydrophobicContact CG1-CD1 4.05Å; V56-I60 WeakPolarHBondContact O-CG1 3.32Å; V56-I60 PolarHBondContact O-N 3.18Å; R57-I60 PolarHBondContact O-N 3.04Å; I60-T64 WeakPolarHBondContact O-CB 3.11Å; I60-T64 PolarHBondContact O-N 2.84Å; I60-T64 PolarHBondContact O-OG1 3.29Å; I60-E106 HydrophobicContact CD1-CB 3.81Å; I60-E106 WeakPolarHBondContact CD1-O 3.26Å; I60-F108 HydrophobicContact CD1-CB 4.09Å; I60-F108 HydrophobicContact CG1-CB 3.9Å; I60-F108 HydrophobicContact CG1-CD2 3.73Å; I60-F108 HydrophobicContact CG1-CG 4.27Å; I60-L111 HydrophobicContact CB-CD2 4.29Å; I60-L111 HydrophobicContact CG1-CD2 4.45Å; I60-L111 HydrophobicContact CG2-CD2 4.15Å; I60-L111 WeakPolarHBondContact O-CD2 3.41Å
61	N	93.7	Very high	94.7	Very high	102 Å²	102	45.7 Å²	45.7	55%	0.545	25%	0.252	S	S	.	.	H	α-helix	trans	-62.5	-48.9	179	-70.5	-16.9	0	0	0	111.9	R57 S58 L59 F63 T64 L65	R57-N61 PolarHBondContact O-N 3.36Å; S58-N61 PolarHBondContact O-N 2.86Å; L59-N61 VanDerWaalsContact C-N 3.32Å; L59-N61 PolarHBondContact O-N 3.33Å; N61-F63 PolarHBondContact O-N 3.29Å; N61-T64 PolarHBondContact O-N 2.77Å; N61-L65 WeakPolarHBondContact O-CB 3.3Å; N61-L65 PolarHBondContact O-N 3.03Å
62	A	96	Very high	94.9	Very high	8 Å²	8	45.3 Å²	45.3	7%	0.066	25%	0.25	C	S	.	.	H	α-helix	trans	-58.3	-46.8	179	0	0	0	0	0	112.3	V29 F31 V40 S58 L59 L65 F66	V29-A62 HydrophobicContact CG1-CB 4.39Å; F31-A62 HydrophobicContact CD2-CB 3.84Å; F31-A62 WeakPolarHBondContact CE2-O 3.42Å; V40-A62 HydrophobicContact CG1-CB 3.97Å; S58-A62 VanDerWaalsContact O-CB 3.31Å; S58-A62 WeakPolarHBondContact O-CB 3.37Å; S58-A62 PolarHBondContact O-N 2.92Å; L59-A62 PolarHBondContact O-N 3.49Å; A62-L65 PolarHBondContact O-N 3.31Å; A62-F66 PolarHBondContact O-N 2.68Å
63	F	96.2	Very high	95.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-78	-26.8	-178.3	-81.2	-65.5	0	0	0	113.4	V40 L59 N61 F66 K67 A75 L77 F108 L111 L112 I115 I119	V40-F63 HydrophobicContact CB-CZ 4.42Å; V40-F63 HydrophobicContact CG1-CE2 4.11Å; V40-F63 HydrophobicContact CG1-CZ 4.31Å; V40-F63 HydrophobicContact CG2-CE1 4.37Å; V40-F63 HydrophobicContact CG2-CZ 4.33Å; L59-F63 HydrophobicContact CB-CD2 4.49Å; L59-F63 HydrophobicContact CD2-CD2 4.42Å; L59-F63 HydrophobicContact CD2-CE2 4.03Å; L59-F63 WeakPolarHBondContact O-CB 3.22Å; L59-F63 WeakPolarHBondContact O-CD2 3.49Å; L59-F63 PolarHBondContact O-N 2.77Å; N61-F63 PolarHBondContact O-N 3.29Å; F63-F66 HydrophobicContact CD1-CD1 4.12Å; F63-F66 PolarHBondContact O-N 2.89Å; F63-K67 VanDerWaalsContact O-CB 3.26Å; F63-K67 WeakPolarHBondContact O-CB 3.05Å; F63-K67 PolarHBondContact O-N 3.31Å; F63-A75 HydrophobicContact CE1-CB 4.17Å; F63-L77 HydrophobicContact CE2-CD1 4.4Å; F63-L77 HydrophobicContact CZ-CB 4.41Å; F63-L77 HydrophobicContact CZ-CD1 4.4Å; F63-L77 HydrophobicContact CZ-CD2 4.46Å; F63-F108 HydrophobicContact CD2-CE2 4.12Å; F63-L111 HydrophobicContact CB-CD2 3.85Å; F63-L111 HydrophobicContact CB-CG 4.44Å; F63-L112 HydrophobicContact CB-CD2 4.17Å; F63-L112 HydrophobicContact CD1-CD2 3.68Å; F63-L112 HydrophobicContact CD2-CD2 3.59Å; F63-L112 HydrophobicContact CE1-CD2 3.89Å; F63-L112 HydrophobicContact CE2-CD2 3.77Å; F63-L112 HydrophobicContact CG-CD2 3.53Å; F63-L112 HydrophobicContact CZ-CD2 3.92Å; F63-I115 HydrophobicContact CB-CD1 3.85Å; F63-I115 HydrophobicContact CD1-CD1 3.79Å; F63-I115 HydrophobicContact CG-CD1 4.15Å; F63-I119 HydrophobicContact CD1-CD1 4.19Å; F63-I119 HydrophobicContact CE1-CD1 3.76Å; F63-I119 HydrophobicContact CE1-CG1 4.36Å; F63-I119 HydrophobicContact CE1-CG2 4.14Å; F63-I119 HydrophobicContact CZ-CG2 4.31Å
64	T	94.9	Very high	95.5	Very high	50 Å²	50	47 Å²	47	31%	0.307	26%	0.255	S	S	.	.	H	α-helix	trans	-65.7	-44.2	169.5	-61.8	0	0	0	0	110.7	I60 N61 K67 N68	I60-T64 WeakPolarHBondContact O-CB 3.11Å; I60-T64 PolarHBondContact O-N 2.84Å; I60-T64 PolarHBondContact O-OG1 3.29Å; N61-T64 PolarHBondContact O-N 2.77Å; T64-K67 PolarHBondContact O-N 2.83Å; T64-N68 PolarHBondContact O-N 2.89Å; T64-N68 VanDerWaalsContact O-N 3.08Å; T64-N68 PolarHBondContact O-ND2 3.08Å
65	L	95.9	Very high	95.8	Very high	75 Å²	75	43 Å²	43	39%	0.393	23%	0.234	S	C	.	.	H	α-helix	trans	-59.7	-51.4	172.9	-179.4	67.1	0	0	0	110.6	F31 N61 A62 K67 N68 E69	F31-L65 HydrophobicContact CD1-CD2 3.81Å; F31-L65 HydrophobicContact CE1-CD2 3.54Å; F31-L65 HydrophobicContact CE1-CG 4.3Å; F31-L65 HydrophobicContact CE2-CD2 4.35Å; F31-L65 HydrophobicContact CG-CD2 4.3Å; F31-L65 HydrophobicContact CZ-CD2 3.82Å; F31-L65 HydrophobicContact CZ-CG 4.16Å; N61-L65 WeakPolarHBondContact O-CB 3.3Å; N61-L65 PolarHBondContact O-N 3.03Å; A62-L65 PolarHBondContact O-N 3.31Å; L65-K67 VanDerWaalsContact C-N 3.29Å; L65-K67 PolarHBondContact O-N 2.86Å; L65-N68 PolarHBondContact O-N 3.21Å; L65-E69 HydrophobicContact CD1-CG 3.54Å; L65-E69 HydrophobicContact CG-CG 4.06Å; L65-E69 WeakPolarHBondContact O-CB 3.31Å; L65-E69 WeakPolarHBondContact O-CG 3.44Å; L65-E69 PolarHBondContact O-N 2.9Å
66	F	97.4	Very high	96	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-54.7	-43.8	177	173.4	-116.5	0	0	0	112.9	F31 S38 A62 F63 L72 V74 A75 I115 K117 I119	F31-F66 HydrophobicContact CE2-CB 4.24Å; S38-F66 WeakPolarHBondContact OG-CD2 3.35Å; A62-F66 PolarHBondContact O-N 2.68Å; F63-F66 HydrophobicContact CD1-CD1 4.12Å; F63-F66 PolarHBondContact O-N 2.89Å; F66-L72 HydrophobicContact CD2-CB 3.82Å; F66-L72 HydrophobicContact CD2-CD1 4.47Å; F66-L72 HydrophobicContact CE2-CB 4.06Å; F66-V74 VanDerWaalsContact CE2-C 3.43Å; F66-A75 HydrophobicContact CD1-CB 3.98Å; F66-A75 HydrophobicContact CD2-CB 4.07Å; F66-A75 HydrophobicContact CE1-CB 3.7Å; F66-A75 HydrophobicContact CE2-CB 3.82Å; F66-A75 HydrophobicContact CG-CB 4.14Å; F66-A75 HydrophobicContact CZ-CB 3.61Å; F66-A75 VanDerWaalsContact CZ-N 3.31Å; F66-I115 HydrophobicContact CD1-CD1 4.38Å; F66-I115 HydrophobicContact CD1-CG2 4.08Å; F66-I115 HydrophobicContact CE1-CG2 3.78Å; F66-K117 HydrophobicContact CD2-CD 4.49Å; F66-K117 HydrophobicContact CE1-CB 3.57Å; F66-K117 HydrophobicContact CE1-CD 4.08Å; F66-K117 HydrophobicContact CE1-CG 4.46Å; F66-K117 HydrophobicContact CE2-CB 4.38Å; F66-K117 HydrophobicContact CE2-CD 3.97Å; F66-K117 HydrophobicContact CZ-CB 3.39Å; F66-K117 HydrophobicContact CZ-CD 3.75Å; F66-K117 HydrophobicContact CZ-CG 4.21Å; F66-K117 PolarHBondContact O-NZ 3.22Å; F66-I119 HydrophobicContact CE1-CG1 4.18Å
67	K	96.1	Very high	96.3	Very high	73 Å²	73	42.7 Å²	42.7	32%	0.317	23%	0.232	S	C	.	.	H	α-helix	trans	-59.9	-49.5	178.4	-177.2	175	173.1	164	0	111.6	F63 T64 L65 L111 N114 I115 K117	F63-K67 VanDerWaalsContact O-CB 3.26Å; F63-K67 WeakPolarHBondContact O-CB 3.05Å; F63-K67 PolarHBondContact O-N 3.31Å; T64-K67 PolarHBondContact O-N 2.83Å; L65-K67 VanDerWaalsContact C-N 3.29Å; L65-K67 PolarHBondContact O-N 2.86Å; K67-L111 HydrophobicContact CD-CD1 4.4Å; K67-N114 VanDerWaalsContact CE-O 3.31Å; K67-N114 WeakPolarHBondContact CE-O 3.49Å; K67-N114 PolarHBondContact NZ-O 3Å; K67-I115 HydrophobicContact CB-CG1 4.13Å; K67-I115 HydrophobicContact CD-CG1 4.19Å; K67-I115 HydrophobicContact CG-CG1 4.3Å; K67-K117 WeakPolarHBondContact O-CE 3.18Å; K67-K117 PolarHBondContact O-NZ 2.68Å
68	N	95.8	Very high	96.6	Very high	114 Å²	114	38.1 Å²	38.1	61%	0.61	22%	0.215	S	C	*	.	H	α-helix	trans	-84.1	-24.5	-169.4	-65.2	-24	0	0	0	113.8	T64 L65 A70	T64-N68 PolarHBondContact O-N 2.89Å; T64-N68 VanDerWaalsContact O-N 3.08Å; T64-N68 PolarHBondContact O-ND2 3.08Å; L65-N68 PolarHBondContact O-N 3.21Å; N68-A70 PolarHBondContact O-N 3.11Å
69	E	97.2	Very high	96.8	Very high	88 Å²	88	36.7 Å²	36.7	41%	0.411	21%	0.206	S	C	.	.			trans	-77.7	107.7	-179.1	-75.1	-59.6	147.3	0	0	112.4	L65 S71 L72 K117	L65-E69 HydrophobicContact CD1-CG 3.54Å; L65-E69 HydrophobicContact CG-CG 4.06Å; L65-E69 WeakPolarHBondContact O-CB 3.31Å; L65-E69 WeakPolarHBondContact O-CG 3.44Å; L65-E69 PolarHBondContact O-N 2.9Å; E69-S71 PolarHBondContact O-N 2.97Å; E69-L72 HydrophobicContact CB-CB 4.31Å; E69-L72 HydrophobicContact CB-CD1 3.53Å; E69-L72 HydrophobicContact CB-CG 3.87Å; E69-L72 HydrophobicContact CG-CD1 4.12Å; E69-L72 PolarHBondContact O-N 3.21Å; E69-K117 PolarHBondContact O-NZ 3.26Å
70	A	95.9	Very high	96.9	Very high	91 Å²	91	40.2 Å²	40.2	75%	0.752	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-26	-176.9	0	0	0	0	0	113.7	N68 L72	N68-A70 PolarHBondContact O-N 3.11Å; A70-L72 PolarHBondContact O-N 3.45Å
71	S	96.8	Very high	97.1	Very high	50 Å²	50	41.3 Å²	41.3	35%	0.35	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-20.2	176.4	71.9	0	0	0	0	112.9	Q33 N36 E69	Q33-S71 PolarHBondContact NE2-OG 2.75Å; N36-S71 WeakPolarHBondContact CA-O 3.39Å; N36-S71 WeakPolarHBondContact CB-O 3.1Å; N36-S71 PolarHBondContact ND2-O 3.4Å; E69-S71 PolarHBondContact O-N 2.97Å
72	L	98.5	Very high	97.2	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	24%	0.237	C	C	.	.			trans	-95.2	129.2	-178	-57.5	173.4	0	0	0	109.9	F31 Q33 S38 F66 E69 A70 K117	F31-L72 HydrophobicContact CE1-CD1 4.19Å; F31-L72 HydrophobicContact CZ-CD1 3.76Å; Q33-L72 HydrophobicContact CB-CD2 4.23Å; Q33-L72 HydrophobicContact CG-CD2 3.56Å; S38-L72 VanDerWaalsContact OG-CD1 3.27Å; S38-L72 WeakPolarHBondContact OG-CD1 3.24Å; S38-L72 WeakPolarHBondContact OG-CD2 3.38Å; F66-L72 HydrophobicContact CD2-CB 3.82Å; F66-L72 HydrophobicContact CD2-CD1 4.47Å; F66-L72 HydrophobicContact CE2-CB 4.06Å; E69-L72 HydrophobicContact CB-CB 4.31Å; E69-L72 HydrophobicContact CB-CD1 3.53Å; E69-L72 HydrophobicContact CB-CG 3.87Å; E69-L72 HydrophobicContact CG-CD1 4.12Å; E69-L72 PolarHBondContact O-N 3.21Å; A70-L72 PolarHBondContact O-N 3.45Å; L72-K117 VanDerWaalsContact O-CD 3.32Å; L72-K117 WeakPolarHBondContact O-CD 3.35Å; L72-K117 VanDerWaalsContact O-CE 3.27Å; L72-K117 WeakPolarHBondContact O-CE 3.36Å; L72-K117 PolarHBondContact O-NZ 2.92Å
73	K	98.5	Very high	97.3	Very high	61 Å²	61	39.9 Å²	39.9	27%	0.265	24%	0.243	S	C	.	.			trans	-117.3	-34.7	-171.9	-68.3	179.9	177.8	174.6	0	113.1	N36 P118 S214 Q218	N36-K73 HydrophobicContact CB-CB 4.14Å; N36-K73 HydrophobicContact CB-CD 3.86Å; N36-K73 HydrophobicContact CB-CG 4Å; N36-K73 PolarHBondContact O-N 3.5Å; K73-P118 WeakPolarHBondContact O-CD 3.37Å; K73-S214 WeakPolarHBondContact CD-O 3.13Å; K73-S214 PolarHBondContact NZ-O 2.82Å; K73-Q218 HydrophobicContact CD-CG 3.82Å; K73-Q218 HydrophobicContact CG-CG 4.2Å
74	V	98.7	Very high	97.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	139.5	-176.8	-174.5	0	0	0	0	109.6	N36 V37 S38 F66 P118 I120 A210 I213	N36-V74 PolarHBondContact O-N 3.29Å; V37-V74 CarbonylContact C-O 3.58Å; V37-V74 VanDerWaalsContact CA-O 3.28Å; V37-V74 WeakPolarHBondContact CA-O 3.23Å; S38-V74 PolarHBondContact N-O 3.46Å; F66-V74 VanDerWaalsContact CE2-C 3.43Å; V74-P118 WeakPolarHBondContact CA-O 3.16Å; V74-P118 HydrophobicContact CG1-CB 4.3Å; V74-I120 HydrophobicContact CG1-CD1 4.19Å; V74-I120 HydrophobicContact CG1-CG1 4.25Å; V74-A210 HydrophobicContact CB-CB 4.17Å; V74-A210 HydrophobicContact CG1-CB 3.68Å; V74-I213 HydrophobicContact CG2-CB 3.87Å; V74-I213 HydrophobicContact CG2-CG2 3.44Å; V74-I213 VanDerWaalsContact CG2-CG2 3.44Å
75	A	98.7	Very high	97.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	147.4	172.8	0	0	0	0	0	111.5	S38 F63 F66 P118 I119 I120	S38-A75 CarbonylContact O-C 3.46Å; S38-A75 VanDerWaalsContact O-CA 3.28Å; S38-A75 WeakPolarHBondContact O-CA 3.32Å; F63-A75 HydrophobicContact CE1-CB 4.17Å; F66-A75 HydrophobicContact CD1-CB 3.98Å; F66-A75 HydrophobicContact CD2-CB 4.07Å; F66-A75 HydrophobicContact CE1-CB 3.7Å; F66-A75 HydrophobicContact CE2-CB 3.82Å; F66-A75 HydrophobicContact CG-CB 4.14Å; F66-A75 HydrophobicContact CZ-CB 3.61Å; F66-A75 VanDerWaalsContact CZ-N 3.31Å; A75-P118 PolarHBondContact N-O 2.93Å; A75-I119 HydrophobicContact CB-CG1 4.33Å; A75-I119 HydrophobicContact CB-CG2 4.24Å; A75-I119 CarbonylContact O-C 3.56Å; A75-I119 WeakPolarHBondContact O-CA 3.18Å; A75-I120 PolarHBondContact O-N 3.38Å
76	V	98.9	Very high	97.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	112.1	167.4	-179.8	0	0	0	0	108	V37 S38 L39 V40 I120 A122 L203 A206 A210	V37-V76 HydrophobicContact CG1-CG2 4.06Å; S38-V76 PolarHBondContact O-N 3.25Å; L39-V76 HydrophobicContact CD2-CB 3.73Å; L39-V76 HydrophobicContact CD2-CG1 4.35Å; L39-V76 HydrophobicContact CD2-CG2 4.13Å; V40-V76 PolarHBondContact N-O 2.94Å; V76-I120 CarbonylContact C-O 3.58Å; V76-I120 VanDerWaalsContact CA-O 3.26Å; V76-I120 WeakPolarHBondContact CA-O 3.45Å; V76-I120 HydrophobicContact CG2-CB 4.45Å; V76-A122 HydrophobicContact CG1-CB 4Å; V76-L203 HydrophobicContact CG1-CD1 3.95Å; V76-A206 HydrophobicContact CG1-CB 3.65Å; V76-A206 HydrophobicContact CG2-CB 4.27Å; V76-A210 HydrophobicContact CG2-CB 3.76Å
77	L	98.7	Very high	97.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	128.4	172.6	179.7	61.4	0	0	0	109.2	V40 L42 L59 F63 F84 I119 I120 A121 A122 L134	V40-L77 HydrophobicContact CB-CD1 4.19Å; V40-L77 HydrophobicContact CG1-CD1 3.96Å; V40-L77 WeakPolarHBondContact O-CA 3.41Å; L42-L77 HydrophobicContact CG-CD1 4.48Å; L59-L77 HydrophobicContact CD2-CD1 4.11Å; F63-L77 HydrophobicContact CE2-CD1 4.4Å; F63-L77 HydrophobicContact CZ-CB 4.41Å; F63-L77 HydrophobicContact CZ-CD1 4.4Å; F63-L77 HydrophobicContact CZ-CD2 4.46Å; L77-F84 HydrophobicContact CD2-CE2 4.49Å; L77-F84 HydrophobicContact CD2-CZ 3.95Å; L77-F84 HydrophobicContact CG-CE2 4.04Å; L77-F84 HydrophobicContact CG-CZ 4Å; L77-I119 HydrophobicContact CB-CG2 4.49Å; L77-I120 PolarHBondContact N-O 3Å; L77-A121 CarbonylContact O-C 3.5Å; L77-A121 WeakPolarHBondContact O-CA 3.3Å; L77-A122 PolarHBondContact O-N 3.43Å; L77-L134 HydrophobicContact CD2-CB 4.49Å
78	Y	98.7	Very high	97.3	Very high	17 Å²	17	32.9 Å²	32.9	7%	0.067	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	171.6	179.2	77.3	-74.6	0	0	0	111.2	L39 V40 A41 L42 K80 L203	L39-Y78 HydrophobicContact CB-CE1 4.14Å; V40-Y78 WeakPolarHBondContact O-CD1 3.47Å; V40-Y78 PolarHBondContact O-N 2.99Å; A41-Y78 CarbonylContact C-O 3.37Å; A41-Y78 WeakPolarHBondContact CA-O 3.31Å; A41-Y78 HydrophobicContact CB-CD1 3.98Å; A41-Y78 HydrophobicContact CB-CE1 3.3Å; A41-Y78 HydrophobicContact CB-CE2 3.96Å; A41-Y78 WeakPolarHBondContact CB-OH 3.3Å; L42-Y78 PolarHBondContact N-O 3.26Å; Y78-K80 HydrophobicContact CE2-CD 4.02Å; Y78-K80 HydrophobicContact CE2-CG 4.44Å; Y78-K80 VanDerWaalsContact OH-CE 3.23Å; Y78-K80 WeakPolarHBondContact OH-CE 3.48Å; Y78-K80 PolarHBondContact OH-NZ 2.71Å; Y78-K80 VanDerWaalsContact OH-NZ 3.14Å; Y78-L203 HydrophobicContact CD1-CD1 3.77Å; Y78-L203 HydrophobicContact CD2-CD1 4.14Å; Y78-L203 HydrophobicContact CD2-CD2 3.92Å; Y78-L203 HydrophobicContact CD2-CG 4.44Å; Y78-L203 HydrophobicContact CE1-CD1 4Å; Y78-L203 HydrophobicContact CE1-CD2 4.36Å; Y78-L203 HydrophobicContact CE2-CD1 4.37Å; Y78-L203 HydrophobicContact CE2-CD2 3.58Å; Y78-L203 HydrophobicContact CG-CD1 3.83Å; Y78-L203 HydrophobicContact CG-CD2 4.45Å
79	G	98.6	Very high	97.2	Very high	5 Å²	5	27.9 Å²	27.9	5%	0.052	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	141.6	172.6	0	0	0	0	0	112.8	N49 N83	N49-G79 VanDerWaalsContact ND2-CA 3.34Å; N49-G79 WeakPolarHBondContact ND2-CA 3.39Å; G79-N83 CarbonylContact C-O 3.51Å; G79-N83 VanDerWaalsContact CA-O 3.27Å; G79-N83 WeakPolarHBondContact CA-O 3.44Å
80	K	97.9	Very high	96.9	Very high	74 Å²	74	29.5 Å²	29.5	32%	0.322	19%	0.194	S	C	.	.	S	Bend	trans	-75.4	152.3	171.2	-72.2	-72.3	-167.8	-174.5	0	110.4	A41 L42 N49 Y78	A41-K80 HydrophobicContact CB-CG 4.12Å; L42-K80 PolarHBondContact O-N 2.74Å; N49-K80 PolarHBondContact ND2-N 2.81Å; N49-K80 PolarHBondContact ND2-O 2.84Å; Y78-K80 HydrophobicContact CE2-CD 4.02Å; Y78-K80 HydrophobicContact CE2-CG 4.44Å; Y78-K80 VanDerWaalsContact OH-CE 3.23Å; Y78-K80 WeakPolarHBondContact OH-CE 3.48Å; Y78-K80 PolarHBondContact OH-NZ 2.71Å; Y78-K80 VanDerWaalsContact OH-NZ 3.14Å
81	G	96.3	Very high	96.9	Very high	56 Å²	56	29.3 Å²	29.3	58%	0.577	18%	0.178	S	C	*	.	S	Bend	trans	75.7	30.4	174.6	0	0	0	0	0	115.2	N83	G81-N83 VanDerWaalsContact C-N 3.32Å; G81-N83 PolarHBondContact O-N 2.8Å; G81-N83 PolarHBondContact O-ND2 3.16Å
82	G	95.9	Very high	96.7	Very high	46 Å²	46	29 Å²	29	47%	0.474	17%	0.171	S	C	.	.	S	Bend	trans	75.9	14.6	168.3	0	0	0	0	0	115.5	G125	G82-G125 VanDerWaalsContact O-CA 3.32Å; G82-G125 WeakPolarHBondContact O-CA 3.37Å; G82-G125 PolarHBondContact O-N 3.41Å
83	N	98.2	Very high	96.4	Very high	34 Å²	34	31.4 Å²	31.4	18%	0.182	18%	0.184	C	C	.	.			trans	-137.5	142.1	175.9	-67.7	-78.4	0	0	0	109.6	T48 N49 G79 G81 S124 Y126	T48-N83 HydrophobicContact CG2-CB 3.63Å; N49-N83 PolarHBondContact ND2-O 2.76Å; G79-N83 CarbonylContact C-O 3.51Å; G79-N83 VanDerWaalsContact CA-O 3.27Å; G79-N83 WeakPolarHBondContact CA-O 3.44Å; G81-N83 VanDerWaalsContact C-N 3.32Å; G81-N83 PolarHBondContact O-N 2.8Å; G81-N83 PolarHBondContact O-ND2 3.16Å; N83-S124 CarbonylContact C-O 3.5Å; N83-S124 WeakPolarHBondContact CA-O 3.46Å; N83-S124 PolarHBondContact N-OG 3.34Å; N83-Y126 WeakPolarHBondContact OD1-CD2 3.2Å; N83-Y126 PolarHBondContact OD1-N 3.04Å; N83-Y126 VanDerWaalsContact OD1-N 3.12Å
84	F	98.6	Very high	96.1	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-73.3	-69.8	174.7	-173.3	-108.2	0	0	0	109.8	L42 N49 L77 A121 A122 I123 S124 Y126 A127 G131 L134 A135	L42-F84 WeakPolarHBondContact CD1-O 3.47Å; N49-F84 WeakPolarHBondContact CB-O 3.33Å; N49-F84 PolarHBondContact ND2-O 2.9Å; L77-F84 HydrophobicContact CD2-CE2 4.49Å; L77-F84 HydrophobicContact CD2-CZ 3.95Å; L77-F84 HydrophobicContact CG-CE2 4.04Å; L77-F84 HydrophobicContact CG-CZ 4Å; F84-A121 HydrophobicContact CE2-CB 4.38Å; F84-A121 HydrophobicContact CZ-CB 4.3Å; F84-A122 WeakPolarHBondContact CD2-O 3.37Å; F84-I123 HydrophobicContact CB-CG2 4.08Å; F84-I123 HydrophobicContact CD1-CG1 4.48Å; F84-I123 HydrophobicContact CD2-CG1 4.12Å; F84-I123 HydrophobicContact CE2-CG1 4.36Å; F84-I123 HydrophobicContact CG-CG1 4.18Å; F84-I123 HydrophobicContact CG-CG2 4.41Å; F84-S124 PolarHBondContact N-O 3.42Å; F84-Y126 WeakPolarHBondContact CA-O 3.29Å; F84-Y126 WeakPolarHBondContact CB-O 3.34Å; F84-Y126 PolarHBondContact N-O 3.14Å; F84-Y126 VanDerWaalsContact N-O 3.11Å; F84-A127 HydrophobicContact CB-CB 4.4Å; F84-A127 HydrophobicContact CD1-CB 4.07Å; F84-G131 VanDerWaalsContact CE1-O 3.26Å; F84-G131 WeakPolarHBondContact CE1-O 3.42Å; F84-L134 HydrophobicContact CE1-CB 4.12Å; F84-L134 HydrophobicContact CZ-CB 4.45Å; F84-A135 HydrophobicContact CE1-CB 3.97Å; F84-A135 HydrophobicContact CZ-CB 4.4Å
85	S	97.8	Very high	95.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-165.4	139.5	173.6	-177.6	0	0	0	0	111.5	T48 N49 G87 Y126 A127 V128	T48-S85 CarbonylContact O-C 3.59Å; T48-S85 WeakPolarHBondContact O-CA 3.27Å; N49-S85 WeakPolarHBondContact O-CB 3.47Å; N49-S85 PolarHBondContact O-OG 2.85Å; S85-G87 VanDerWaalsContact C-N 3.25Å; S85-G87 PolarHBondContact O-N 3.21Å; S85-G87 PolarHBondContact OG-N 3Å; S85-Y126 CarbonylContact C-O 3.53Å; S85-Y126 PolarHBondContact N-O 3.48Å; S85-Y126 CarbonylContact O-C 3.51Å; S85-Y126 VanDerWaalsContact O-O 3.12Å; S85-A127 CarbonylContact O-C 3.43Å; S85-A127 VanDerWaalsContact O-CA 3.28Å; S85-A127 WeakPolarHBondContact O-CA 3.46Å; S85-V128 PolarHBondContact O-N 3.15Å
86	S	96	Very high	95.3	Very high	42 Å²	42	41.4 Å²	41.4	29%	0.294	24%	0.24	S	C	.	.			trans	-84.1	13.3	171.1	62.8	0	0	0	0	114.4	T48	T48-S86 PolarHBondContact O-N 2.88Å; T48-S86 PolarHBondContact O-OG 3.48Å
87	G	94.1	Very high	94.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	86.1	-155.2	-179.7	0	0	0	0	0	113.2	A50 I51 S85 V128	A50-G87 CarbonylContact C-O 3.59Å; A50-G87 VanDerWaalsContact CA-O 3.29Å; A50-G87 WeakPolarHBondContact CA-O 3.43Å; I51-G87 PolarHBondContact N-O 2.78Å; S85-G87 VanDerWaalsContact C-N 3.25Å; S85-G87 PolarHBondContact O-N 3.21Å; S85-G87 PolarHBondContact OG-N 3Å; G87-V128 WeakPolarHBondContact CA-O 3.46Å; G87-V128 PolarHBondContact N-O 3.33Å
88	L	93.1	Very high	94.2	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.052	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-58.4	142.6	-178.4	-165.5	66.3	0	0	0	112.6	L90 L93 L99 I100 L103 E130	L88-L90 PolarHBondContact O-N 3.22Å; L88-L93 HydrophobicContact CD2-CB 4.26Å; L88-L93 HydrophobicContact CD2-CD1 3.99Å; L88-L93 HydrophobicContact CD2-CD2 4.01Å; L88-L93 HydrophobicContact CD2-CG 4.29Å; L88-L99 HydrophobicContact CD1-CD2 4.07Å; L88-L99 HydrophobicContact CD2-CD2 4.41Å; L88-L99 HydrophobicContact CG-CD2 4.31Å; L88-I100 HydrophobicContact CD2-CD1 4.16Å; L88-I100 HydrophobicContact CD2-CG1 3.74Å; L88-L103 HydrophobicContact CD1-CD1 3.58Å; L88-E130 HydrophobicContact CB-CG 4.45Å; L88-E130 WeakPolarHBondContact CB-OE2 3.48Å; L88-E130 PolarHBondContact N-OE2 2.92Å
89	D	93.9	Very high	93.5	Very high	9 Å²	9	48.6 Å²	48.6	5%	0.048	29%	0.293	C	S	.	.			trans	-69.9	99.9	173.1	-167.1	-38.1	0	0	0	110.5	R44 A50 I51 N52 E91 E92 L93	R44-D89 IonicContact CZ-OD2 2.74Å; R44-D89 VanDerWaalsContact CZ-OD2 3.23Å; R44-D89 IonicContact NH1-OD2 3.23Å; R44-D89 PolarHBondContact NH1-OD2 3.4Å; R44-D89 IonicContact NH2-OD2 3.87Å; R44-D89 PolarHBondContact NH2-OD2 3.14Å; A50-D89 HydrophobicContact CB-CB 4.08Å; I51-D89 PolarHBondContact O-N 3.48Å; N52-D89 HydrophobicContact CB-CB 3.72Å; D89-E91 PolarHBondContact O-N 3.2Å; D89-E91 VanDerWaalsContact OD1-CB 3.27Å; D89-E91 WeakPolarHBondContact OD1-CB 3.28Å; D89-E91 PolarHBondContact OD1-N 3.13Å; D89-E92 HydrophobicContact CB-CB 4.21Å; D89-E92 PolarHBondContact O-N 2.94Å; D89-E92 VanDerWaalsContact O-N 3.13Å; D89-E92 PolarHBondContact OD1-N 3.17Å; D89-L93 PolarHBondContact O-N 3.32Å
90	L	92.4	Very high	92.8	Very high	121 Å²	121	51.4 Å²	51.4	63%	0.634	31%	0.306	S	S	*	.	H	α-helix	trans	-61.5	-26.4	-179	-58.2	-177	0	0	0	112.9	L88 L93 S94	L88-L90 PolarHBondContact O-N 3.22Å; L90-L93 HydrophobicContact CD2-CD2 4.31Å; L90-S94 WeakPolarHBondContact O-CB 3.35Å; L90-S94 PolarHBondContact O-N 2.77Å; L90-S94 PolarHBondContact O-OG 3.41Å
91	E	93.9	Very high	92.2	Very high	88 Å²	88	53.2 Å²	53.2	41%	0.411	32%	0.316	S	S	.	.	H	α-helix	trans	-70.2	-43.8	176	-166.5	-171.5	150.8	0	0	110.6	K47 D89 S94 K95	K47-E91 IonicContact NZ-OE2 2.68Å; K47-E91 PolarHBondContact NZ-OE2 3.06Å; D89-E91 PolarHBondContact O-N 3.2Å; D89-E91 VanDerWaalsContact OD1-CB 3.27Å; D89-E91 WeakPolarHBondContact OD1-CB 3.28Å; D89-E91 PolarHBondContact OD1-N 3.13Å; E91-S94 PolarHBondContact O-OG 3.37Å; E91-K95 WeakPolarHBondContact O-CG 3.48Å; E91-K95 IonicContact OE1-NZ 2.81Å; E91-K95 PolarHBondContact OE1-NZ 3.39Å
92	E	93.7	Very high	91.5	Very high	44 Å²	44	55.7 Å²	55.7	21%	0.206	31%	0.308	C	S	.	.	H	α-helix	trans	-66.6	-42.4	174.3	-167	-178.2	-167.6	0	0	111.3	N52 S53 D89 S94 K95 N96 L99	N52-E92 WeakPolarHBondContact CA-OE2 3.44Å; N52-E92 WeakPolarHBondContact CB-OE2 3.42Å; S53-E92 WeakPolarHBondContact CB-OE1 3.45Å; S53-E92 PolarHBondContact N-OE2 2.82Å; S53-E92 PolarHBondContact OG-OE1 3.22Å; D89-E92 HydrophobicContact CB-CB 4.21Å; D89-E92 PolarHBondContact O-N 2.94Å; D89-E92 VanDerWaalsContact O-N 3.13Å; D89-E92 PolarHBondContact OD1-N 3.17Å; E92-S94 VanDerWaalsContact C-N 3.33Å; E92-S94 PolarHBondContact O-N 3.14Å; E92-K95 PolarHBondContact O-N 2.75Å; E92-K95 VanDerWaalsContact O-N 3.17Å; E92-N96 PolarHBondContact O-N 3.46Å; E92-L99 HydrophobicContact CB-CD2 3.93Å; E92-L99 HydrophobicContact CG-CD1 4.13Å; E92-L99 HydrophobicContact CG-CD2 3.84Å
93	L	90.9	Very high	90.8	Very high	52 Å²	52	54.5 Å²	54.5	27%	0.272	29%	0.29	S	S	.	.	H	α-helix	trans	-58.7	-44.6	177.7	-179	66.4	0	0	0	111.6	L88 D89 L90 K95 N96 L99 I100	L88-L93 HydrophobicContact CD2-CB 4.26Å; L88-L93 HydrophobicContact CD2-CD1 3.99Å; L88-L93 HydrophobicContact CD2-CD2 4.01Å; L88-L93 HydrophobicContact CD2-CG 4.29Å; D89-L93 PolarHBondContact O-N 3.32Å; L90-L93 HydrophobicContact CD2-CD2 4.31Å; L93-K95 PolarHBondContact O-N 2.87Å; L93-K95 VanDerWaalsContact O-N 3.14Å; L93-N96 CarbonylContact O-C 3.5Å; L93-N96 VanDerWaalsContact O-C 3.27Å; L93-N96 PolarHBondContact O-N 3.12Å; L93-L99 HydrophobicContact CB-CD2 4.11Å; L93-L99 HydrophobicContact CD1-CB 4.23Å; L93-L99 HydrophobicContact CD1-CD2 4.47Å; L93-I100 HydrophobicContact CD1-CD1 4.26Å; L93-I100 HydrophobicContact CD1-CG1 4.21Å
94	S	92.2	Very high	89.9	Confident	94 Å²	94	60 Å²	60	66%	0.657	31%	0.309	S	S	*	.	H	α-helix	trans	-60	-26.1	-179.7	73.5	0	0	0	0	113.6	L90 E91 E92	L90-S94 WeakPolarHBondContact O-CB 3.35Å; L90-S94 PolarHBondContact O-N 2.77Å; L90-S94 PolarHBondContact O-OG 3.41Å; E91-S94 PolarHBondContact O-OG 3.37Å; E92-S94 VanDerWaalsContact C-N 3.33Å; E92-S94 PolarHBondContact O-N 3.14Å
95	K	93.7	Very high	89	Confident	151 Å²	151	66.7 Å²	66.7	66%	0.657	34%	0.338	S	S	*	.	H	α-helix	trans	-92.8	-13.3	179.8	-63.1	170.9	-168.4	169.8	0	112.4	E91 E92 L93	E91-K95 WeakPolarHBondContact O-CG 3.48Å; E91-K95 IonicContact OE1-NZ 2.81Å; E91-K95 PolarHBondContact OE1-NZ 3.39Å; E92-K95 PolarHBondContact O-N 2.75Å; E92-K95 VanDerWaalsContact O-N 3.17Å; L93-K95 PolarHBondContact O-N 2.87Å; L93-K95 VanDerWaalsContact O-N 3.14Å
96	N	88.9	Confident	87.9	Confident	27 Å²	27	69.3 Å²	69.3	14%	0.144	35%	0.35	C	S	.	.			trans	-152.1	91.4	-170.2	179	16.1	0	0	0	111.7	E92 L93 S98 L99 R102	E92-N96 PolarHBondContact O-N 3.46Å; L93-N96 CarbonylContact O-C 3.5Å; L93-N96 VanDerWaalsContact O-C 3.27Å; L93-N96 PolarHBondContact O-N 3.12Å; N96-S98 PolarHBondContact O-N 3Å; N96-S98 VanDerWaalsContact O-N 3.12Å; N96-S98 PolarHBondContact OD1-N 3.46Å; N96-S98 PolarHBondContact OD1-OG 2.76Å; N96-L99 HydrophobicContact CB-CB 4.44Å; N96-L99 WeakPolarHBondContact O-CB 3.29Å; N96-L99 PolarHBondContact O-N 3.03Å; N96-R102 PolarHBondContact ND2-NH1 2.93Å; N96-R102 PolarHBondContact ND2-NH2 3.07Å; N96-R102 PolarHBondContact OD1-NH2 2.72Å
97	S	85.7	Confident	86.6	Confident	121 Å²	121	70.2 Å²	70.2	85%	0.846	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.9	178.5	56	0	0	0	0	114.2	L99	S97-L99 VanDerWaalsContact C-N 3.3Å
98	S	87.9	Confident	85.6	Confident	47 Å²	47	71 Å²	71	33%	0.329	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	2.3	175.9	73.7	0	0	0	0	114	N96 I100 E101 R102	N96-S98 PolarHBondContact O-N 3Å; N96-S98 VanDerWaalsContact O-N 3.12Å; N96-S98 PolarHBondContact OD1-N 3.46Å; N96-S98 PolarHBondContact OD1-OG 2.76Å; S98-I100 PolarHBondContact O-N 3.03Å; S98-E101 PolarHBondContact O-N 3.02Å; S98-R102 WeakPolarHBondContact O-CB 3.29Å; S98-R102 PolarHBondContact O-N 3.49Å; S98-R102 PolarHBondContact OG-NH2 3.23Å; S98-R102 VanDerWaalsContact OG-NH2 3.12Å
99	L	84.7	Confident	84.5	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-55.8	-50.9	-173.9	179.7	63	0	0	0	111.9	S53 L88 E92 L93 N96 S97 E101 R102 L103	S53-L99 WeakPolarHBondContact OG-CD1 3.41Å; L88-L99 HydrophobicContact CD1-CD2 4.07Å; L88-L99 HydrophobicContact CD2-CD2 4.41Å; L88-L99 HydrophobicContact CG-CD2 4.31Å; E92-L99 HydrophobicContact CB-CD2 3.93Å; E92-L99 HydrophobicContact CG-CD1 4.13Å; E92-L99 HydrophobicContact CG-CD2 3.84Å; L93-L99 HydrophobicContact CB-CD2 4.11Å; L93-L99 HydrophobicContact CD1-CB 4.23Å; L93-L99 HydrophobicContact CD1-CD2 4.47Å; N96-L99 HydrophobicContact CB-CB 4.44Å; N96-L99 WeakPolarHBondContact O-CB 3.29Å; N96-L99 PolarHBondContact O-N 3.03Å; S97-L99 VanDerWaalsContact C-N 3.3Å; L99-E101 VanDerWaalsContact C-N 3.34Å; L99-E101 PolarHBondContact O-N 3.1Å; L99-R102 WeakPolarHBondContact O-CB 3.27Å; L99-R102 PolarHBondContact O-N 3.13Å; L99-R102 VanDerWaalsContact O-N 3.09Å; L99-L103 HydrophobicContact CD1-CD1 4.04Å; L99-L103 HydrophobicContact CD1-CD2 4.07Å; L99-L103 HydrophobicContact CD1-CG 3.89Å; L99-L103 HydrophobicContact CG-CD1 3.99Å; L99-L103 HydrophobicContact CG-CG 4.18Å; L99-L103 WeakPolarHBondContact O-CG 3.41Å; L99-L103 PolarHBondContact O-N 3.43Å
100	I	82.6	Confident	83.6	Confident	64 Å²	64	75.3 Å²	75.3	33%	0.328	38%	0.382	S	S	.	.	H	α-helix	trans	-58.5	-46.6	-177.4	-63.7	172	0	0	0	111.2	L88 L93 S98 R102 L103 R104 V156	L88-I100 HydrophobicContact CD2-CD1 4.16Å; L88-I100 HydrophobicContact CD2-CG1 3.74Å; L93-I100 HydrophobicContact CD1-CD1 4.26Å; L93-I100 HydrophobicContact CD1-CG1 4.21Å; S98-I100 PolarHBondContact O-N 3.03Å; I100-R102 VanDerWaalsContact C-N 3.3Å; I100-R102 PolarHBondContact O-N 2.87Å; I100-L103 PolarHBondContact O-N 3.28Å; I100-R104 WeakPolarHBondContact O-CB 3.03Å; I100-R104 PolarHBondContact O-N 3.39Å; I100-V156 HydrophobicContact CG2-CB 4.42Å; I100-V156 HydrophobicContact CG2-CG1 4.43Å; I100-V156 HydrophobicContact CG2-CG2 3.89Å
101	E	84.8	Confident	83.1	Confident	111 Å²	111	70.9 Å²	70.9	52%	0.519	36%	0.359	S	S	.	.	H	α-helix	trans	-62.6	-40.1	178	-168.7	-170	159.7	0	0	111.4	S98 L99 R104 K105	S98-E101 PolarHBondContact O-N 3.02Å; L99-E101 VanDerWaalsContact C-N 3.34Å; L99-E101 PolarHBondContact O-N 3.1Å; E101-R104 PolarHBondContact O-N 3.32Å; E101-K105 WeakPolarHBondContact O-CG 3.26Å; E101-K105 PolarHBondContact O-N 2.83Å; E101-K105 WeakPolarHBondContact OE1-CE 3.3Å; E101-K105 IonicContact OE1-NZ 2.76Å; E101-K105 PolarHBondContact OE1-NZ 3.45Å
102	R	83	Confident	82.4	Confident	108 Å²	108	66.9 Å²	66.9	41%	0.408	34%	0.34	S	S	.	.	H	α-helix	trans	-64.7	-50	177.4	-170.5	-174.6	-53.7	165.9	5.5	111.8	N96 S98 L99 I100 R104 K105 E106	N96-R102 PolarHBondContact ND2-NH1 2.93Å; N96-R102 PolarHBondContact ND2-NH2 3.07Å; N96-R102 PolarHBondContact OD1-NH2 2.72Å; S98-R102 WeakPolarHBondContact O-CB 3.29Å; S98-R102 PolarHBondContact O-N 3.49Å; S98-R102 PolarHBondContact OG-NH2 3.23Å; S98-R102 VanDerWaalsContact OG-NH2 3.12Å; L99-R102 WeakPolarHBondContact O-CB 3.27Å; L99-R102 PolarHBondContact O-N 3.13Å; L99-R102 VanDerWaalsContact O-N 3.09Å; I100-R102 VanDerWaalsContact C-N 3.3Å; I100-R102 PolarHBondContact O-N 2.87Å; R102-R104 VanDerWaalsContact C-N 3.26Å; R102-R104 PolarHBondContact O-N 3.36Å; R102-K105 WeakPolarHBondContact O-CA 3.43Å; R102-K105 WeakPolarHBondContact O-CB 3.4Å; R102-K105 PolarHBondContact O-N 2.84Å; R102-E106 PolarHBondContact O-N 3.44Å; R102-E106 VanDerWaalsContact O-N 3.12Å
103	L	81.5	Confident	81.8	Confident	21 Å²	21	69.8 Å²	69.8	11%	0.11	35%	0.354	C	S	.	.	H	α-helix	trans	-60.7	-37.9	178.9	-63.3	-176.2	0	0	0	111.2	V56 L88 L99 I100 K105 E106	V56-L103 HydrophobicContact CB-CD2 4.08Å; V56-L103 HydrophobicContact CG1-CD2 4.4Å; V56-L103 HydrophobicContact CG2-CD1 4.16Å; V56-L103 HydrophobicContact CG2-CD2 3.86Å; V56-L103 HydrophobicContact CG2-CG 4.42Å; L88-L103 HydrophobicContact CD1-CD1 3.58Å; L99-L103 HydrophobicContact CD1-CD1 4.04Å; L99-L103 HydrophobicContact CD1-CD2 4.07Å; L99-L103 HydrophobicContact CD1-CG 3.89Å; L99-L103 HydrophobicContact CG-CD1 3.99Å; L99-L103 HydrophobicContact CG-CG 4.18Å; L99-L103 WeakPolarHBondContact O-CG 3.41Å; L99-L103 PolarHBondContact O-N 3.43Å; I100-L103 PolarHBondContact O-N 3.28Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 3.22Å; L103-E106 PolarHBondContact O-N 2.88Å
104	R	78	Confident	81.5	Confident	150 Å²	150	72.3 Å²	72.3	57%	0.566	37%	0.367	S	S	*	.	H	α-helix	trans	-61.7	-40.2	173.3	-166.8	-176	-174.1	103.5	2	112	I100 E101 R102 E106 C107 V156	I100-R104 WeakPolarHBondContact O-CB 3.03Å; I100-R104 PolarHBondContact O-N 3.39Å; E101-R104 PolarHBondContact O-N 3.32Å; R102-R104 VanDerWaalsContact C-N 3.26Å; R102-R104 PolarHBondContact O-N 3.36Å; R104-E106 VanDerWaalsContact C-N 3.28Å; R104-E106 PolarHBondContact O-N 2.85Å; R104-C107 PolarHBondContact O-N 2.86Å; R104-V156 PolarHBondContact NH1-O 2.99Å
105	K	79.5	Confident	81.6	Confident	141 Å²	141	67.9 Å²	67.9	61%	0.613	34%	0.337	S	S	*	.	H	α-helix	trans	-67.8	-24.5	177.1	-74.1	173.2	-176.4	171.1	0	113.4	E101 R102 L103 C107	E101-K105 WeakPolarHBondContact O-CG 3.26Å; E101-K105 PolarHBondContact O-N 2.83Å; E101-K105 WeakPolarHBondContact OE1-CE 3.3Å; E101-K105 IonicContact OE1-NZ 2.76Å; E101-K105 PolarHBondContact OE1-NZ 3.45Å; R102-K105 WeakPolarHBondContact O-CA 3.43Å; R102-K105 WeakPolarHBondContact O-CB 3.4Å; R102-K105 PolarHBondContact O-N 2.84Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 3.22Å; K105-C107 PolarHBondContact O-N 2.81Å; K105-C107 PolarHBondContact O-SG 3.49Å
106	E	75.9	Confident	81.7	Confident	55 Å²	55	64.2 Å²	64.2	26%	0.257	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-4.5	173.1	-60.4	-166.4	175.7	0	0	112.9	V56 I60 R102 L103 R104 F108	V56-E106 HydrophobicContact CG1-CB 4.32Å; V56-E106 VanDerWaalsContact CG1-OE2 3.26Å; V56-E106 WeakPolarHBondContact CG1-OE2 3.09Å; I60-E106 HydrophobicContact CD1-CB 3.81Å; I60-E106 WeakPolarHBondContact CD1-O 3.26Å; R102-E106 PolarHBondContact O-N 3.44Å; R102-E106 VanDerWaalsContact O-N 3.12Å; L103-E106 PolarHBondContact O-N 2.88Å; R104-E106 VanDerWaalsContact C-N 3.28Å; R104-E106 PolarHBondContact O-N 2.85Å; E106-F108 PolarHBondContact O-N 2.76Å; E106-F108 VanDerWaalsContact O-N 3.1Å
107	C	68.6	Low	82.1	Confident	60 Å²	60	63.3 Å²	63.3	41%	0.405	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	22.9	171.9	-66.4	0	0	0	0	113.9	R104 K105 L109 N110 L111	R104-C107 PolarHBondContact O-N 2.86Å; K105-C107 PolarHBondContact O-N 2.81Å; K105-C107 PolarHBondContact O-SG 3.49Å; C107-L109 VanDerWaalsContact C-N 3.31Å; C107-L109 PolarHBondContact O-N 2.79Å; C107-N110 HydrophobicContact CB-CB 4.2Å; C107-N110 WeakPolarHBondContact O-CB 3.34Å; C107-N110 PolarHBondContact O-N 3.37Å; C107-N110 VanDerWaalsContact O-N 3.12Å; C107-L111 PolarHBondContact O-N 3.05Å
108	F	71.9	Confident	82.7	Confident	16 Å²	16	57.9 Å²	57.9	7%	0.07	28%	0.281	C	S	.	.	H	α-helix	trans	-58.1	-40.5	178.9	171.4	-108	0	0	0	112.9	V56 L59 I60 F63 E106 L111 L112 L134	V56-F108 HydrophobicContact CG1-CB 3.87Å; V56-F108 HydrophobicContact CG1-CG 4.26Å; L59-F108 HydrophobicContact CB-CD2 4.04Å; L59-F108 HydrophobicContact CB-CE2 3.43Å; L59-F108 VanDerWaalsContact CB-CE2 3.43Å; L59-F108 HydrophobicContact CB-CZ 3.93Å; L59-F108 HydrophobicContact CD1-CE1 4.23Å; L59-F108 HydrophobicContact CD1-CE2 4.09Å; L59-F108 HydrophobicContact CD1-CZ 3.67Å; L59-F108 HydrophobicContact CG-CE2 4.32Å; L59-F108 HydrophobicContact CG-CZ 4.33Å; I60-F108 HydrophobicContact CD1-CB 4.09Å; I60-F108 HydrophobicContact CG1-CB 3.9Å; I60-F108 HydrophobicContact CG1-CD2 3.73Å; I60-F108 HydrophobicContact CG1-CG 4.27Å; F63-F108 HydrophobicContact CD2-CE2 4.12Å; E106-F108 PolarHBondContact O-N 2.76Å; E106-F108 VanDerWaalsContact O-N 3.1Å; F108-L111 WeakPolarHBondContact O-CB 3.26Å; F108-L111 PolarHBondContact O-N 2.77Å; F108-L112 HydrophobicContact CE1-CD1 3.74Å; F108-L112 HydrophobicContact CE1-CG 4.44Å; F108-L112 HydrophobicContact CE2-CD1 4Å; F108-L112 HydrophobicContact CE2-CD2 4.44Å; F108-L112 HydrophobicContact CE2-CG 3.98Å; F108-L112 HydrophobicContact CZ-CD1 3.36Å; F108-L112 HydrophobicContact CZ-CD2 4.5Å; F108-L112 HydrophobicContact CZ-CG 3.88Å; F108-L112 PolarHBondContact O-N 2.73Å; F108-L112 VanDerWaalsContact O-N 3.14Å; F108-L134 HydrophobicContact CE1-CD2 3.35Å; F108-L134 HydrophobicContact CZ-CD2 3.68Å
109	L	71	Confident	83.2	Confident	27 Å²	27	55.7 Å²	55.7	14%	0.141	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-45.8	174.7	-56	178.1	0	0	0	111.5	C107 L111 L112 E113 L137 N157	C107-L109 VanDerWaalsContact C-N 3.31Å; C107-L109 PolarHBondContact O-N 2.79Å; L109-L111 PolarHBondContact O-N 3.3Å; L109-L112 PolarHBondContact O-N 2.82Å; L109-E113 WeakPolarHBondContact O-CB 3.16Å; L109-E113 WeakPolarHBondContact O-CG 3.42Å; L109-E113 PolarHBondContact O-N 2.6Å; L109-L137 HydrophobicContact CD2-CD1 3.41Å; L109-L137 VanDerWaalsContact CD2-CD1 3.41Å; L109-L137 HydrophobicContact CD2-CD2 4.46Å; L109-N157 HydrophobicContact CD1-CB 3.56Å; L109-N157 WeakPolarHBondContact CD1-OD1 3.35Å; L109-N157 HydrophobicContact CD2-CB 3.74Å; L109-N157 HydrophobicContact CG-CB 4.24Å
110	N	75.1	Confident	83.9	Confident	83 Å²	83	55.7 Å²	55.7	44%	0.444	27%	0.265	S	S	.	.	H	α-helix	trans	-61.2	-35.1	177.5	-61.1	1.9	0	0	0	110.4	C107 N114	C107-N110 HydrophobicContact CB-CB 4.2Å; C107-N110 WeakPolarHBondContact O-CB 3.34Å; C107-N110 PolarHBondContact O-N 3.37Å; C107-N110 VanDerWaalsContact O-N 3.12Å; N110-N114 VanDerWaalsContact O-CB 3.25Å; N110-N114 WeakPolarHBondContact O-CB 3.33Å; N110-N114 VanDerWaalsContact O-CG 3.23Å; N110-N114 PolarHBondContact O-N 3.04Å; N110-N114 VanDerWaalsContact O-N 3.09Å; N110-N114 PolarHBondContact O-ND2 3.47Å
111	L	80.7	Confident	84.6	Confident	28 Å²	28	52.7 Å²	52.7	15%	0.147	25%	0.25	C	C	.	.	H	α-helix	trans	-62	-53.5	175.4	177.4	66.8	0	0	0	110.9	I60 F63 K67 C107 F108 L109 E113 N114 I115	I60-L111 HydrophobicContact CB-CD2 4.29Å; I60-L111 HydrophobicContact CG1-CD2 4.45Å; I60-L111 HydrophobicContact CG2-CD2 4.15Å; I60-L111 WeakPolarHBondContact O-CD2 3.41Å; F63-L111 HydrophobicContact CB-CD2 3.85Å; F63-L111 HydrophobicContact CB-CG 4.44Å; K67-L111 HydrophobicContact CD-CD1 4.4Å; C107-L111 PolarHBondContact O-N 3.05Å; F108-L111 WeakPolarHBondContact O-CB 3.26Å; F108-L111 PolarHBondContact O-N 2.77Å; L109-L111 PolarHBondContact O-N 3.3Å; L111-E113 VanDerWaalsContact C-N 3.32Å; L111-E113 PolarHBondContact O-N 2.75Å; L111-N114 CarbonylContact O-C 3.51Å; L111-N114 PolarHBondContact O-N 3.39Å; L111-I115 WeakPolarHBondContact O-CG1 3.25Å; L111-I115 PolarHBondContact O-N 2.85Å
112	L	80.8	Confident	85.3	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-40.2	-179.2	-73.4	-176	0	0	0	112.4	F63 F108 L109 N114 I115 I119 L137	F63-L112 HydrophobicContact CB-CD2 4.17Å; F63-L112 HydrophobicContact CD1-CD2 3.68Å; F63-L112 HydrophobicContact CD2-CD2 3.59Å; F63-L112 HydrophobicContact CE1-CD2 3.89Å; F63-L112 HydrophobicContact CE2-CD2 3.77Å; F63-L112 HydrophobicContact CG-CD2 3.53Å; F63-L112 HydrophobicContact CZ-CD2 3.92Å; F108-L112 HydrophobicContact CE1-CD1 3.74Å; F108-L112 HydrophobicContact CE1-CG 4.44Å; F108-L112 HydrophobicContact CE2-CD1 4Å; F108-L112 HydrophobicContact CE2-CD2 4.44Å; F108-L112 HydrophobicContact CE2-CG 3.98Å; F108-L112 HydrophobicContact CZ-CD1 3.36Å; F108-L112 HydrophobicContact CZ-CD2 4.5Å; F108-L112 HydrophobicContact CZ-CG 3.88Å; F108-L112 PolarHBondContact O-N 2.73Å; F108-L112 VanDerWaalsContact O-N 3.14Å; L109-L112 PolarHBondContact O-N 2.82Å; L112-N114 PolarHBondContact O-N 3.34Å; L112-I115 HydrophobicContact CD2-CD1 3.93Å; L112-I115 PolarHBondContact O-N 3.09Å; L112-I119 HydrophobicContact CD2-CD1 3.9Å; L112-L137 HydrophobicContact CD1-CB 3.93Å; L112-L137 HydrophobicContact CD1-CD1 3.8Å; L112-L137 HydrophobicContact CD1-CG 4.42Å
113	E	79.6	Confident	86.1	Confident	104 Å²	104	42.3 Å²	42.3	49%	0.486	21%	0.206	S	C	.	.	H	α-helix	trans	-66.3	-24.1	175.9	-70.5	179	178.5	0	0	113.1	L109 L111 L137 R162	L109-E113 WeakPolarHBondContact O-CB 3.16Å; L109-E113 WeakPolarHBondContact O-CG 3.42Å; L109-E113 PolarHBondContact O-N 2.6Å; L111-E113 VanDerWaalsContact C-N 3.32Å; L111-E113 PolarHBondContact O-N 2.75Å; E113-L137 HydrophobicContact CG-CD2 4.4Å; E113-R162 IonicContact OE1-CZ 2.77Å; E113-R162 IonicContact OE1-NH1 3.7Å; E113-R162 IonicContact OE1-NH2 2.73Å; E113-R162 PolarHBondContact OE1-NH2 3.48Å
114	N	86	Confident	86.9	Confident	105 Å²	105	42 Å²	42	56%	0.561	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	12.5	178.1	-73.9	-53.1	0	0	0	113.6	K67 N110 L111 L112	K67-N114 VanDerWaalsContact CE-O 3.31Å; K67-N114 WeakPolarHBondContact CE-O 3.49Å; K67-N114 PolarHBondContact NZ-O 3Å; N110-N114 VanDerWaalsContact O-CB 3.25Å; N110-N114 WeakPolarHBondContact O-CB 3.33Å; N110-N114 VanDerWaalsContact O-CG 3.23Å; N110-N114 PolarHBondContact O-N 3.04Å; N110-N114 VanDerWaalsContact O-N 3.09Å; N110-N114 PolarHBondContact O-ND2 3.47Å; L111-N114 CarbonylContact O-C 3.51Å; L111-N114 PolarHBondContact O-N 3.39Å; L112-N114 PolarHBondContact O-N 3.34Å
115	I	94.7	Very high	87.8	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	19%	0.187	C	C	.	.			trans	-91.1	127.9	169.7	-68.5	168.6	0	0	0	108	F63 F66 K67 L111 L112 K117 I119 R225	F63-I115 HydrophobicContact CB-CD1 3.85Å; F63-I115 HydrophobicContact CD1-CD1 3.79Å; F63-I115 HydrophobicContact CG-CD1 4.15Å; F66-I115 HydrophobicContact CD1-CD1 4.38Å; F66-I115 HydrophobicContact CD1-CG2 4.08Å; F66-I115 HydrophobicContact CE1-CG2 3.78Å; K67-I115 HydrophobicContact CB-CG1 4.13Å; K67-I115 HydrophobicContact CD-CG1 4.19Å; K67-I115 HydrophobicContact CG-CG1 4.3Å; L111-I115 WeakPolarHBondContact O-CG1 3.25Å; L111-I115 PolarHBondContact O-N 2.85Å; L112-I115 HydrophobicContact CD2-CD1 3.93Å; L112-I115 PolarHBondContact O-N 3.09Å; I115-K117 HydrophobicContact CG2-CB 3.99Å; I115-K117 WeakPolarHBondContact CG2-O 3.28Å; I115-I119 HydrophobicContact CD1-CD1 4.2Å; I115-I119 HydrophobicContact CG2-CD1 4.32Å; I115-R225 PolarHBondContact O-NH1 3.49Å
116	D	94.4	Very high	88.7	Confident	73 Å²	73	34.4 Å²	34.4	39%	0.39	18%	0.179	S	C	.	.			trans	-86.8	-17.1	178.2	66.4	-32.6	0	0	0	112.6	K222 R225	D116-K222 WeakPolarHBondContact O-CG 3.46Å; D116-K222 IonicContact OD1-NZ 2.69Å; D116-K222 WeakPolarHBondContact OD2-CD 3.07Å; D116-K222 WeakPolarHBondContact OD2-CE 3.49Å; D116-K222 IonicContact OD2-NZ 3.92Å; D116-K222 PolarHBondContact OD2-NZ 3.31Å; D116-R225 PolarHBondContact O-NH1 3.37Å
117	K	97.7	Very high	89.8	Confident	9 Å²	9	31.8 Å²	31.8	4%	0.039	17%	0.167	C	C	.	.	S	Bend	trans	-85.5	146.3	-178	-61.8	171.7	-170	-177.4	0	112.7	F66 K67 E69 L72 I115	F66-K117 HydrophobicContact CD2-CD 4.49Å; F66-K117 HydrophobicContact CE1-CB 3.57Å; F66-K117 HydrophobicContact CE1-CD 4.08Å; F66-K117 HydrophobicContact CE1-CG 4.46Å; F66-K117 HydrophobicContact CE2-CB 4.38Å; F66-K117 HydrophobicContact CE2-CD 3.97Å; F66-K117 HydrophobicContact CZ-CB 3.39Å; F66-K117 HydrophobicContact CZ-CD 3.75Å; F66-K117 HydrophobicContact CZ-CG 4.21Å; F66-K117 PolarHBondContact O-NZ 3.22Å; K67-K117 WeakPolarHBondContact O-CE 3.18Å; K67-K117 PolarHBondContact O-NZ 2.68Å; E69-K117 PolarHBondContact O-NZ 3.26Å; L72-K117 VanDerWaalsContact O-CD 3.32Å; L72-K117 WeakPolarHBondContact O-CD 3.35Å; L72-K117 VanDerWaalsContact O-CE 3.27Å; L72-K117 WeakPolarHBondContact O-CE 3.36Å; L72-K117 PolarHBondContact O-NZ 2.92Å; I115-K117 HydrophobicContact CG2-CB 3.99Å; I115-K117 WeakPolarHBondContact CG2-O 3.28Å
118	P	98.3	Very high	91.1	Very high	7 Å²	7	29.8 Å²	29.8	5%	0.045	15%	0.153	C	C	.	.			trans	-64.7	143.5	179.3	-24.6	35.5	0	0	0	114.6	K73 V74 A75 D139 I213 L221	K73-P118 WeakPolarHBondContact O-CD 3.37Å; V74-P118 WeakPolarHBondContact CA-O 3.16Å; V74-P118 HydrophobicContact CG1-CB 4.3Å; A75-P118 PolarHBondContact N-O 2.93Å; P118-D139 WeakPolarHBondContact CA-OD2 3.45Å; P118-I213 HydrophobicContact CB-CG2 4.22Å; P118-I213 HydrophobicContact CG-CG2 3.98Å; P118-L221 HydrophobicContact CG-CD2 3.28Å
119	I	98.5	Very high	92.1	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.8	176.4	-49.6	176.6	0	0	0	109.2	F63 F66 A75 L77 L112 I115 C138 D139 L140	F63-I119 HydrophobicContact CD1-CD1 4.19Å; F63-I119 HydrophobicContact CE1-CD1 3.76Å; F63-I119 HydrophobicContact CE1-CG1 4.36Å; F63-I119 HydrophobicContact CE1-CG2 4.14Å; F63-I119 HydrophobicContact CZ-CG2 4.31Å; F66-I119 HydrophobicContact CE1-CG1 4.18Å; A75-I119 HydrophobicContact CB-CG1 4.33Å; A75-I119 HydrophobicContact CB-CG2 4.24Å; A75-I119 CarbonylContact O-C 3.56Å; A75-I119 WeakPolarHBondContact O-CA 3.18Å; L77-I119 HydrophobicContact CB-CG2 4.49Å; L112-I119 HydrophobicContact CD2-CD1 3.9Å; I115-I119 HydrophobicContact CD1-CD1 4.2Å; I115-I119 HydrophobicContact CG2-CD1 4.32Å; I119-C138 HydrophobicContact CB-CB 4.44Å; I119-C138 HydrophobicContact CG2-CB 4.17Å; I119-D139 PolarHBondContact N-OD2 3.09Å; I119-D139 PolarHBondContact O-N 2.68Å; I119-L140 PolarHBondContact O-N 3.28Å
120	I	98.8	Very high	93.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.5	177.1	-48.4	178	0	0	0	108.8	V74 A75 V76 L77 L140 I142 A206 L209 A210 I213	V74-I120 HydrophobicContact CG1-CD1 4.19Å; V74-I120 HydrophobicContact CG1-CG1 4.25Å; A75-I120 PolarHBondContact O-N 3.38Å; V76-I120 CarbonylContact C-O 3.58Å; V76-I120 VanDerWaalsContact CA-O 3.26Å; V76-I120 WeakPolarHBondContact CA-O 3.45Å; V76-I120 HydrophobicContact CG2-CB 4.45Å; L77-I120 PolarHBondContact N-O 3Å; I120-L140 CarbonylContact C-O 3.48Å; I120-L140 WeakPolarHBondContact CA-O 3.37Å; I120-L140 HydrophobicContact CG1-CB 4.33Å; I120-L140 HydrophobicContact CG1-CD1 4.48Å; I120-L140 HydrophobicContact CG2-CB 4.23Å; I120-I142 HydrophobicContact CG2-CG1 4.16Å; I120-A206 HydrophobicContact CG2-CB 3.97Å; I120-L209 HydrophobicContact CD1-CB 4.15Å; I120-L209 HydrophobicContact CD1-CD2 4.15Å; I120-L209 HydrophobicContact CD1-CG 3.96Å; I120-A210 HydrophobicContact CD1-CB 3.9Å; I120-I213 HydrophobicContact CD1-CD1 4.01Å
121	A	98.8	Very high	94.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	124.7	166.7	0	0	0	0	0	110.1	L77 F84 I123 A135 C138 L140 R141 I142	L77-A121 CarbonylContact O-C 3.5Å; L77-A121 WeakPolarHBondContact O-CA 3.3Å; F84-A121 HydrophobicContact CE2-CB 4.38Å; F84-A121 HydrophobicContact CZ-CB 4.3Å; A121-I123 HydrophobicContact CB-CD1 3.96Å; A121-I123 HydrophobicContact CB-CG1 3.96Å; A121-A135 HydrophobicContact CB-CB 4.31Å; A121-C138 HydrophobicContact CB-CB 3.92Å; A121-L140 PolarHBondContact N-O 3.03Å; A121-R141 HydrophobicContact CB-CG 4Å; A121-R141 WeakPolarHBondContact O-CA 3.48Å; A121-I142 PolarHBondContact O-N 3.46Å
122	A	98.9	Very high	94.8	Very high	2 Å²	2	23.3 Å²	23.3	2%	0.017	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	104.8	169.8	0	0	0	0	0	109.4	V76 L77 F84 I142 A202 A206	V76-A122 HydrophobicContact CG1-CB 4Å; L77-A122 PolarHBondContact O-N 3.43Å; F84-A122 WeakPolarHBondContact CD2-O 3.37Å; A122-I142 WeakPolarHBondContact CA-O 3.19Å; A122-A202 HydrophobicContact CB-CB 4.22Å; A122-A206 HydrophobicContact CB-CB 3.7Å
123	I	98.9	Very high	95.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	112.6	-164	-59.9	167.6	0	0	0	109.3	F84 A121 A127 A135 R141 I142 V143 E144 A147 Y149	F84-I123 HydrophobicContact CB-CG2 4.08Å; F84-I123 HydrophobicContact CD1-CG1 4.48Å; F84-I123 HydrophobicContact CD2-CG1 4.12Å; F84-I123 HydrophobicContact CE2-CG1 4.36Å; F84-I123 HydrophobicContact CG-CG1 4.18Å; F84-I123 HydrophobicContact CG-CG2 4.41Å; A121-I123 HydrophobicContact CB-CD1 3.96Å; A121-I123 HydrophobicContact CB-CG1 3.96Å; I123-A127 HydrophobicContact CG2-CB 3.96Å; I123-A135 HydrophobicContact CD1-CB 3.62Å; I123-A135 HydrophobicContact CG1-CB 4.46Å; I123-R141 HydrophobicContact CD1-CB 4.17Å; I123-R141 HydrophobicContact CD1-CG 3.88Å; I123-I142 PolarHBondContact N-O 2.87Å; I123-V143 HydrophobicContact CB-CB 4.37Å; I123-V143 HydrophobicContact CB-CG2 4.06Å; I123-V143 HydrophobicContact CG2-CG2 4Å; I123-E144 PolarHBondContact O-N 2.94Å; I123-A147 HydrophobicContact CG2-CB 4.2Å; I123-Y149 HydrophobicContact CD1-CE1 4.08Å; I123-Y149 WeakPolarHBondContact CD1-OH 3.42Å
124	S	98.5	Very high	96	Very high	13 Å²	13	18.7 Å²	18.7	9%	0.091	10%	0.098	C	C	.	.			trans	-115.6	154.9	172.4	55.7	0	0	0	0	109.3	N83 F84 Y126 E144	N83-S124 CarbonylContact C-O 3.5Å; N83-S124 WeakPolarHBondContact CA-O 3.46Å; N83-S124 PolarHBondContact N-OG 3.34Å; F84-S124 PolarHBondContact N-O 3.42Å; S124-Y126 PolarHBondContact O-N 2.99Å; S124-E144 VanDerWaalsContact CB-CD 3.47Å; S124-E144 WeakPolarHBondContact CB-OE2 3.5Å
125	G	98.3	Very high	96.5	Very high	17 Å²	17	13.7 Å²	13.7	18%	0.175	7%	0.071	C	C	.	.	S	Bend	trans	49.4	-127.5	177.1	0	0	0	0	0	113.1	G82 A147 T148	G82-G125 VanDerWaalsContact O-CA 3.32Å; G82-G125 WeakPolarHBondContact O-CA 3.37Å; G82-G125 PolarHBondContact O-N 3.41Å; G125-A147 CarbonylContact O-C 3.51Å; G125-A147 WeakPolarHBondContact O-CA 3.2Å; G125-A147 VanDerWaalsContact O-CB 3.31Å; G125-A147 WeakPolarHBondContact O-CB 3.23Å; G125-T148 PolarHBondContact O-N 2.8Å
126	Y	98.1	Very high	96.5	Very high	116 Å²	116	14 Å²	14	46%	0.455	7%	0.073	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	134.9	-176.6	-63.6	-68	0	0	0	113.9	T48 N83 F84 S85 S124 V128 T148	T48-Y126 HydrophobicContact CG2-CD2 4.08Å; N83-Y126 WeakPolarHBondContact OD1-CD2 3.2Å; N83-Y126 PolarHBondContact OD1-N 3.04Å; N83-Y126 VanDerWaalsContact OD1-N 3.12Å; F84-Y126 WeakPolarHBondContact CA-O 3.29Å; F84-Y126 WeakPolarHBondContact CB-O 3.34Å; F84-Y126 PolarHBondContact N-O 3.14Å; F84-Y126 VanDerWaalsContact N-O 3.11Å; S85-Y126 CarbonylContact C-O 3.53Å; S85-Y126 PolarHBondContact N-O 3.48Å; S85-Y126 CarbonylContact O-C 3.51Å; S85-Y126 VanDerWaalsContact O-O 3.12Å; S124-Y126 PolarHBondContact O-N 2.99Å; Y126-V128 HydrophobicContact CD1-CG2 4.45Å; Y126-T148 HydrophobicContact CD1-CG2 4.35Å; Y126-T148 HydrophobicContact CE1-CG2 4.44Å
127	A	97.8	Very high	96.5	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	99.7	159	0	0	0	0	0	107.8	F84 S85 I123 I132 T148 Y149 Y150	F84-A127 HydrophobicContact CB-CB 4.4Å; F84-A127 HydrophobicContact CD1-CB 4.07Å; S85-A127 CarbonylContact O-C 3.43Å; S85-A127 VanDerWaalsContact O-CA 3.28Å; S85-A127 WeakPolarHBondContact O-CA 3.46Å; I123-A127 HydrophobicContact CG2-CB 3.96Å; A127-I132 HydrophobicContact CB-CG1 4.42Å; A127-I132 WeakPolarHBondContact O-CD1 3.46Å; A127-I132 WeakPolarHBondContact O-CG1 3.36Å; A127-T148 PolarHBondContact N-O 2.96Å; A127-Y149 HydrophobicContact CB-CD1 3.98Å; A127-Y149 HydrophobicContact CB-CE1 4.08Å; A127-Y149 VanDerWaalsContact O-CA 3.31Å; A127-Y149 WeakPolarHBondContact O-CA 3.4Å; A127-Y150 PolarHBondContact O-N 3.17Å
128	V	95.7	Very high	96.4	Very high	18 Å²	18	10.7 Å²	10.7	11%	0.109	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140.1	-170.8	-179.1	0	0	0	0	110.1	S85 G87 Y126 E130 G131 Y150	S85-V128 PolarHBondContact O-N 3.15Å; G87-V128 WeakPolarHBondContact CA-O 3.46Å; G87-V128 PolarHBondContact N-O 3.33Å; Y126-V128 HydrophobicContact CD1-CG2 4.45Å; V128-E130 PolarHBondContact O-N 3.44Å; V128-E130 VanDerWaalsContact O-N 3.15Å; V128-G131 WeakPolarHBondContact O-CA 3.47Å; V128-G131 PolarHBondContact O-N 3.07Å; V128-Y150 VanDerWaalsContact CA-O 3.3Å; V128-Y150 WeakPolarHBondContact CA-O 3.39Å; V128-Y150 HydrophobicContact CG1-CD1 3.88Å; V128-Y150 WeakPolarHBondContact CG1-O 3.44Å
129	A	93.4	Very high	96.4	Very high	3 Å²	3	11.7 Å²	11.7	3%	0.025	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	-115.6	175.1	0	0	0	0	0	113.2	G131 I132 E133 Y150 E151 I153	A129-G131 PolarHBondContact O-N 3.49Å; A129-I132 WeakPolarHBondContact O-CA 3.17Å; A129-I132 VanDerWaalsContact O-CB 3.28Å; A129-I132 WeakPolarHBondContact O-CB 3.32Å; A129-I132 PolarHBondContact O-N 2.87Å; A129-E133 PolarHBondContact O-N 3.27Å; A129-E133 VanDerWaalsContact O-N 3.14Å; A129-Y150 PolarHBondContact N-O 3.3Å; A129-E151 WeakPolarHBondContact CA-OE2 3.38Å; A129-I153 HydrophobicContact CB-CD1 3.77Å; A129-I153 HydrophobicContact CB-CG1 3.68Å
130	E	92.8	Very high	96.4	Very high	14 Å²	14	13.9 Å²	13.9	7%	0.065	7%	0.072	C	C	.	.	H	α-helix	trans	-58.8	-22.6	177.7	-66.8	79.2	179	0	0	113.4	I51 L88 V128 E133 L134	I51-E130 HydrophobicContact CD1-CB 3.66Å; L88-E130 HydrophobicContact CB-CG 4.45Å; L88-E130 WeakPolarHBondContact CB-OE2 3.48Å; L88-E130 PolarHBondContact N-OE2 2.92Å; V128-E130 PolarHBondContact O-N 3.44Å; V128-E130 VanDerWaalsContact O-N 3.15Å; E130-E133 PolarHBondContact O-N 3.27Å; E130-L134 WeakPolarHBondContact O-CG 3.12Å; E130-L134 PolarHBondContact O-N 3.49Å
131	G	94.8	Very high	96.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65.9	-36.2	169.5	0	0	0	0	0	112.9	F84 V128 A129 A135	F84-G131 VanDerWaalsContact CE1-O 3.26Å; F84-G131 WeakPolarHBondContact CE1-O 3.42Å; V128-G131 WeakPolarHBondContact O-CA 3.47Å; V128-G131 PolarHBondContact O-N 3.07Å; A129-G131 PolarHBondContact O-N 3.49Å; G131-A135 PolarHBondContact O-N 2.65Å; G131-A135 VanDerWaalsContact O-N 3.16Å
132	I	95.1	Very high	96.4	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-66.8	-45.4	170.2	-58.1	-177.2	0	0	0	109.3	A127 A129 L134 A135 L136 Y149 Y150 E151	A127-I132 HydrophobicContact CB-CG1 4.42Å; A127-I132 WeakPolarHBondContact O-CD1 3.46Å; A127-I132 WeakPolarHBondContact O-CG1 3.36Å; A129-I132 WeakPolarHBondContact O-CA 3.17Å; A129-I132 VanDerWaalsContact O-CB 3.28Å; A129-I132 WeakPolarHBondContact O-CB 3.32Å; A129-I132 PolarHBondContact O-N 2.87Å; I132-L134 VanDerWaalsContact C-N 3.32Å; I132-L134 PolarHBondContact O-N 2.89Å; I132-A135 CarbonylContact O-C 3.54Å; I132-A135 WeakPolarHBondContact O-CA 3.09Å; I132-A135 WeakPolarHBondContact O-CB 3.33Å; I132-A135 PolarHBondContact O-N 3.16Å; I132-L136 HydrophobicContact CG2-CD1 3.72Å; I132-L136 HydrophobicContact CG2-CG 4.01Å; I132-L136 WeakPolarHBondContact O-CB 3.29Å; I132-L136 VanDerWaalsContact O-CG 3.25Å; I132-L136 WeakPolarHBondContact O-CG 3.36Å; I132-L136 PolarHBondContact O-N 3.1Å; I132-Y149 HydrophobicContact CD1-CD1 4.31Å; I132-Y149 HydrophobicContact CG1-CD1 4.04Å; I132-Y149 HydrophobicContact CG2-CD1 4.44Å; I132-Y150 VanDerWaalsContact CD1-O 3.22Å; I132-Y150 WeakPolarHBondContact CD1-O 3.33Å; I132-E151 HydrophobicContact CD1-CG 3.73Å
133	E	93.1	Very high	96.4	Very high	4 Å²	4	14.6 Å²	14.6	2%	0.019	7%	0.074	C	C	.	.	H	α-helix	trans	-59	-42.8	179.4	-63.8	179.7	134.6	0	0	111.9	A129 E130 A135 L136 L137 S155 V156 N157 G158 A159	A129-E133 PolarHBondContact O-N 3.27Å; A129-E133 VanDerWaalsContact O-N 3.14Å; E130-E133 PolarHBondContact O-N 3.27Å; E133-A135 PolarHBondContact O-N 2.76Å; E133-L136 PolarHBondContact O-N 3.46Å; E133-L137 VanDerWaalsContact O-CG 3.29Å; E133-L137 WeakPolarHBondContact O-CG 3.41Å; E133-L137 PolarHBondContact O-N 2.83Å; E133-S155 WeakPolarHBondContact OE1-CA 3.3Å; E133-S155 VanDerWaalsContact OE1-CB 3.3Å; E133-S155 WeakPolarHBondContact OE1-CB 3.26Å; E133-V156 PolarHBondContact OE1-N 2.76Å; E133-V156 VanDerWaalsContact OE1-N 3.1Å; E133-N157 HydrophobicContact CB-CB 4.1Å; E133-N157 VanDerWaalsContact CD-CB 3.48Å; E133-N157 HydrophobicContact CG-CB 4.29Å; E133-N157 WeakPolarHBondContact OE1-CA 3.49Å; E133-N157 PolarHBondContact OE1-N 2.87Å; E133-N157 WeakPolarHBondContact OE2-CB 3.39Å; E133-N157 PolarHBondContact OE2-ND2 3.49Å; E133-G158 PolarHBondContact OE1-N 2.85Å; E133-A159 HydrophobicContact CG-CB 3.82Å
134	L	94.1	Very high	96.4	Very high	8 Å²	8	15.1 Å²	15.1	4%	0.042	8%	0.077	C	C	.	.	H	α-helix	trans	-57.5	-46.1	171.3	-77.3	-178.1	0	0	0	112.7	L42 I51 L59 L77 F84 F108 E130 I132 L136 L137 C138	L42-L134 HydrophobicContact CD1-CD1 4.28Å; I51-L134 HydrophobicContact CD1-CD1 3.45Å; I51-L134 VanDerWaalsContact CD1-CD1 3.45Å; I51-L134 HydrophobicContact CD1-CG 4.12Å; I51-L134 HydrophobicContact CG1-CD1 4.09Å; L59-L134 HydrophobicContact CD1-CD1 4.38Å; L59-L134 HydrophobicContact CD1-CD2 4.28Å; L77-L134 HydrophobicContact CD2-CB 4.49Å; F84-L134 HydrophobicContact CE1-CB 4.12Å; F84-L134 HydrophobicContact CZ-CB 4.45Å; F108-L134 HydrophobicContact CE1-CD2 3.35Å; F108-L134 HydrophobicContact CZ-CD2 3.68Å; E130-L134 WeakPolarHBondContact O-CG 3.12Å; E130-L134 PolarHBondContact O-N 3.49Å; I132-L134 VanDerWaalsContact C-N 3.32Å; I132-L134 PolarHBondContact O-N 2.89Å; L134-L136 VanDerWaalsContact C-N 3.31Å; L134-L136 PolarHBondContact O-N 2.85Å; L134-L137 PolarHBondContact O-N 3.41Å; L134-C138 PolarHBondContact O-SG 3.14Å; L134-C138 VanDerWaalsContact O-SG 3.37Å
135	A	96.4	Very high	96.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.3	-34	177.6	0	0	0	0	0	112.8	F84 A121 I123 G131 I132 E133 C138 R141	F84-A135 HydrophobicContact CE1-CB 3.97Å; F84-A135 HydrophobicContact CZ-CB 4.4Å; A121-A135 HydrophobicContact CB-CB 4.31Å; I123-A135 HydrophobicContact CD1-CB 3.62Å; I123-A135 HydrophobicContact CG1-CB 4.46Å; G131-A135 PolarHBondContact O-N 2.65Å; G131-A135 VanDerWaalsContact O-N 3.16Å; I132-A135 CarbonylContact O-C 3.54Å; I132-A135 WeakPolarHBondContact O-CA 3.09Å; I132-A135 WeakPolarHBondContact O-CB 3.33Å; I132-A135 PolarHBondContact O-N 3.16Å; E133-A135 PolarHBondContact O-N 2.76Å; A135-C138 WeakPolarHBondContact O-CB 3.43Å; A135-C138 PolarHBondContact O-N 3.43Å; A135-R141 WeakPolarHBondContact O-CD 3.34Å; A135-R141 PolarHBondContact O-NH1 3.47Å
136	L	95.2	Very high	96.3	Very high	8 Å²	8	21.3 Å²	21.3	4%	0.042	11%	0.105	C	C	.	.	H	α-helix	trans	-75.1	-24	178.1	-70.1	175.8	0	0	0	113.1	I132 E133 L134 C138 A159 R162 L163 L166 L192	I132-L136 HydrophobicContact CG2-CD1 3.72Å; I132-L136 HydrophobicContact CG2-CG 4.01Å; I132-L136 WeakPolarHBondContact O-CB 3.29Å; I132-L136 VanDerWaalsContact O-CG 3.25Å; I132-L136 WeakPolarHBondContact O-CG 3.36Å; I132-L136 PolarHBondContact O-N 3.1Å; E133-L136 PolarHBondContact O-N 3.46Å; L134-L136 VanDerWaalsContact C-N 3.31Å; L134-L136 PolarHBondContact O-N 2.85Å; L136-C138 VanDerWaalsContact C-N 3.29Å; L136-A159 HydrophobicContact CD1-CB 4.1Å; L136-R162 HydrophobicContact CB-CB 4.3Å; L136-R162 HydrophobicContact CD1-CB 4.25Å; L136-L163 HydrophobicContact CD1-CD2 3.93Å; L136-L163 HydrophobicContact CD1-CG 3.75Å; L136-L163 HydrophobicContact CD2-CD2 4.18Å; L136-L166 HydrophobicContact CD2-CD2 3.67Å; L136-L192 HydrophobicContact CD2-CD1 3.73Å
137	L	93.3	Very high	96.3	Very high	10 Å²	10	15.8 Å²	15.8	5%	0.052	8%	0.084	C	C	.	.	H	α-helix	trans	-73.8	-22.2	172.2	-70.4	161.9	0	0	0	112.5	L109 L112 E113 E133 L134 R162	L109-L137 HydrophobicContact CD2-CD1 3.41Å; L109-L137 VanDerWaalsContact CD2-CD1 3.41Å; L109-L137 HydrophobicContact CD2-CD2 4.46Å; L112-L137 HydrophobicContact CD1-CB 3.93Å; L112-L137 HydrophobicContact CD1-CD1 3.8Å; L112-L137 HydrophobicContact CD1-CG 4.42Å; E113-L137 HydrophobicContact CG-CD2 4.4Å; E133-L137 VanDerWaalsContact O-CG 3.29Å; E133-L137 WeakPolarHBondContact O-CG 3.41Å; E133-L137 PolarHBondContact O-N 2.83Å; L134-L137 PolarHBondContact O-N 3.41Å; L137-R162 VanDerWaalsContact CD2-CZ 3.5Å
138	C	96.5	Very high	96.3	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.014	9%	0.09	C	C	.	.	S	Bend	trans	-73.5	153.7	173.1	-58.9	0	0	0	0	111	I119 A121 L134 A135 L136 R141	I119-C138 HydrophobicContact CB-CB 4.44Å; I119-C138 HydrophobicContact CG2-CB 4.17Å; A121-C138 HydrophobicContact CB-CB 3.92Å; L134-C138 PolarHBondContact O-SG 3.14Å; L134-C138 VanDerWaalsContact O-SG 3.37Å; A135-C138 WeakPolarHBondContact O-CB 3.43Å; A135-C138 PolarHBondContact O-N 3.43Å; L136-C138 VanDerWaalsContact C-N 3.29Å; C138-R141 PolarHBondContact O-NH1 2.97Å
139	D	97.5	Very high	96.3	Very high	29 Å²	29	16 Å²	16	16%	0.155	9%	0.085	C	C	.	.	S	Bend	trans	-71.4	-46.4	178.9	-58.3	-69.9	0	0	0	111.4	P118 I119 R141 R225 Y229	P118-D139 WeakPolarHBondContact CA-OD2 3.45Å; I119-D139 PolarHBondContact N-OD2 3.09Å; I119-D139 PolarHBondContact O-N 2.68Å; D139-R141 PolarHBondContact O-NH2 3.33Å; D139-R225 IonicContact OD1-CZ 3.84Å; D139-R225 VanDerWaalsContact OD1-CZ 3.23Å; D139-R225 IonicContact OD1-NE 3.4Å; D139-R225 PolarHBondContact OD1-NE 3.36Å; D139-R225 IonicContact OD1-NH2 3.65Å; D139-R225 PolarHBondContact OD1-NH2 2.95Å; D139-R225 IonicContact OD2-CZ 2.68Å; D139-R225 IonicContact OD2-NE 3.23Å; D139-R225 PolarHBondContact OD2-NE 3.23Å; D139-R225 VanDerWaalsContact OD2-NE 3.07Å; D139-R225 IonicContact OD2-NH2 2.65Å; D139-R225 PolarHBondContact OD2-NH2 2.83Å; D139-Y229 WeakPolarHBondContact OD1-CE2 3.43Å; D139-Y229 PolarHBondContact OD1-OH 3.41Å
140	L	98.6	Very high	96.3	Very high	47 Å²	47	19.2 Å²	19.2	25%	0.246	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	148.8	-174	-57.7	176.5	0	0	0	110.6	I119 I120 A121 N194 L209 I213	I119-L140 PolarHBondContact O-N 3.28Å; I120-L140 CarbonylContact C-O 3.48Å; I120-L140 WeakPolarHBondContact CA-O 3.37Å; I120-L140 HydrophobicContact CG1-CB 4.33Å; I120-L140 HydrophobicContact CG1-CD1 4.48Å; I120-L140 HydrophobicContact CG2-CB 4.23Å; A121-L140 PolarHBondContact N-O 3.03Å; L140-N194 VanDerWaalsContact CA-OD1 3.26Å; L140-N194 WeakPolarHBondContact CA-OD1 3.21Å; L140-L209 HydrophobicContact CD1-CD2 4.08Å; L140-I213 HydrophobicContact CD1-CD1 3.75Å
141	R	98.7	Very high	96	Very high	15 Å²	15	18.9 Å²	18.9	6%	0.057	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	122.1	178.1	-74.8	157.3	-69.2	-69.3	-12.2	109.7	A121 I123 A135 C138 D139 L192 A193 N194 R195	A121-R141 HydrophobicContact CB-CG 4Å; A121-R141 WeakPolarHBondContact O-CA 3.48Å; I123-R141 HydrophobicContact CD1-CB 4.17Å; I123-R141 HydrophobicContact CD1-CG 3.88Å; A135-R141 WeakPolarHBondContact O-CD 3.34Å; A135-R141 PolarHBondContact O-NH1 3.47Å; C138-R141 PolarHBondContact O-NH1 2.97Å; D139-R141 PolarHBondContact O-NH2 3.33Å; R141-L192 VanDerWaalsContact CD-O 3.3Å; R141-L192 WeakPolarHBondContact CD-O 3.31Å; R141-L192 PolarHBondContact NE-O 2.74Å; R141-A193 HydrophobicContact CB-CB 4.23Å; R141-N194 PolarHBondContact N-OD1 3.47Å; R141-N194 PolarHBondContact O-N 2.95Å; R141-R195 PolarHBondContact O-N 3.35Å
142	I	98.8	Very high	95.3	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	120.9	166.1	-56.7	-167.6	0	0	0	106.9	I120 A121 A122 I123 R195 V197 Q205 A206 L209	I120-I142 HydrophobicContact CG2-CG1 4.16Å; A121-I142 PolarHBondContact O-N 3.46Å; A122-I142 WeakPolarHBondContact CA-O 3.19Å; I123-I142 PolarHBondContact N-O 2.87Å; I142-R195 WeakPolarHBondContact CA-O 3.37Å; I142-R195 HydrophobicContact CG1-CB 4.26Å; I142-R195 HydrophobicContact CG2-CB 4.26Å; I142-V197 HydrophobicContact CG2-CG1 3.73Å; I142-V197 HydrophobicContact CG2-CG2 3.97Å; I142-Q205 HydrophobicContact CD1-CB 4.3Å; I142-Q205 HydrophobicContact CG2-CB 4.16Å; I142-A206 HydrophobicContact CD1-CB 4.02Å; I142-L209 HydrophobicContact CD1-CB 4.24Å; I142-L209 HydrophobicContact CD1-CD2 3.93Å; I142-L209 HydrophobicContact CG1-CD2 4.46Å
143	V	98.8	Very high	94.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	140.9	-172.4	69.8	0	0	0	0	111.3	I123 A147 Y149 G184 A193 R195 V196 V197	I123-V143 HydrophobicContact CB-CB 4.37Å; I123-V143 HydrophobicContact CB-CG2 4.06Å; I123-V143 HydrophobicContact CG2-CG2 4Å; V143-A147 HydrophobicContact CG2-CB 3.48Å; V143-A147 VanDerWaalsContact CG2-CB 3.48Å; V143-Y149 HydrophobicContact CG2-CE2 3.86Å; V143-G184 WeakPolarHBondContact CG1-O 3.31Å; V143-A193 HydrophobicContact CB-CB 4.02Å; V143-A193 HydrophobicContact CG1-CB 3.42Å; V143-A193 VanDerWaalsContact CG1-CB 3.42Å; V143-R195 PolarHBondContact N-O 3.36Å; V143-V196 HydrophobicContact CG1-CB 4.28Å; V143-V196 HydrophobicContact CG1-CG2 4.48Å; V143-V196 CarbonylContact O-C 3.6Å; V143-V196 VanDerWaalsContact O-CA 3.25Å; V143-V196 WeakPolarHBondContact O-CA 3.33Å; V143-V197 PolarHBondContact O-N 3.46Å
144	E	98.8	Very high	94.2	Very high	12 Å²	12	31.5 Å²	31.5	6%	0.056	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	141.8	169	-59.4	-172	168.8	0	0	110.3	I123 S124 T146 A147 G184 V197 T199 G200 T201 A202	I123-E144 PolarHBondContact O-N 2.94Å; S124-E144 VanDerWaalsContact CB-CD 3.47Å; S124-E144 WeakPolarHBondContact CB-OE2 3.5Å; E144-T146 PolarHBondContact O-N 3.35Å; E144-A147 HydrophobicContact CB-CB 4.42Å; E144-A147 VanDerWaalsContact O-CB 3.25Å; E144-A147 WeakPolarHBondContact O-CB 3.4Å; E144-A147 PolarHBondContact O-N 2.89Å; E144-G184 WeakPolarHBondContact O-CA 3.44Å; E144-V197 CarbonylContact C-O 3.3Å; E144-V197 WeakPolarHBondContact CA-O 3.5Å; E144-V197 HydrophobicContact CG-CG2 4.32Å; E144-T199 WeakPolarHBondContact OE2-CA 3.45Å; E144-G200 WeakPolarHBondContact OE1-CA 3.48Å; E144-G200 PolarHBondContact OE1-N 3.04Å; E144-G200 PolarHBondContact OE2-N 3.24Å; E144-T201 PolarHBondContact OE1-N 3.42Å; E144-A202 HydrophobicContact CG-CB 3.55Å; E144-A202 PolarHBondContact OE1-N 3.34Å
145	E	98	Very high	93.7	Very high	78 Å²	78	32.3 Å²	32.3	36%	0.364	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-36.3	-177.8	176.1	157.5	-144.5	0	0	113.5	G184 R185 V196 V197	E145-G184 PolarHBondContact O-N 2.87Å; E145-R185 HydrophobicContact CG-CB 4.33Å; E145-R185 PolarHBondContact O-N 3.34Å; E145-R185 IonicContact OE1-CZ 3.3Å; E145-R185 VanDerWaalsContact OE1-CZ 3.3Å; E145-R185 IonicContact OE1-NE 3.03Å; E145-R185 PolarHBondContact OE1-NE 2.97Å; E145-R185 IonicContact OE1-NH2 2.75Å; E145-R185 PolarHBondContact OE1-NH2 3.39Å; E145-R185 IonicContact OE2-NH2 3.26Å; E145-R185 PolarHBondContact OE2-NH2 3.43Å; E145-V196 HydrophobicContact CB-CG2 3.88Å; E145-V197 PolarHBondContact N-O 3.31Å
146	T	97.2	Very high	93.1	Very high	82 Å²	82	34.6 Å²	34.6	50%	0.503	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	2.3	-179.4	60.8	0	0	0	0	114.3	E144 T199	E144-T146 PolarHBondContact O-N 3.35Å; T146-T199 PolarHBondContact OG1-OG1 3.2Å
147	A	97.9	Very high	92.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.195	C	C	.	.			trans	-65	154.1	175.3	0	0	0	0	0	110.3	I123 G125 V143 E144 N183 G184	I123-A147 HydrophobicContact CG2-CB 4.2Å; G125-A147 CarbonylContact O-C 3.51Å; G125-A147 WeakPolarHBondContact O-CA 3.2Å; G125-A147 VanDerWaalsContact O-CB 3.31Å; G125-A147 WeakPolarHBondContact O-CB 3.23Å; V143-A147 HydrophobicContact CG2-CB 3.48Å; V143-A147 VanDerWaalsContact CG2-CB 3.48Å; E144-A147 HydrophobicContact CB-CB 4.42Å; E144-A147 VanDerWaalsContact O-CB 3.25Å; E144-A147 WeakPolarHBondContact O-CB 3.4Å; E144-A147 PolarHBondContact O-N 2.89Å; A147-N183 CarbonylContact O-C 3.57Å; A147-N183 VanDerWaalsContact O-C 3.3Å; A147-N183 WeakPolarHBondContact O-CA 3.28Å; A147-G184 PolarHBondContact O-N 3.19Å
148	T	97.9	Very high	92.3	Very high	22 Å²	22	35.9 Å²	35.9	14%	0.135	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	120.2	-176.8	-63.4	0	0	0	0	110.2	G125 Y126 A127 Q181	G125-T148 PolarHBondContact O-N 2.8Å; Y126-T148 HydrophobicContact CD1-CG2 4.35Å; Y126-T148 HydrophobicContact CE1-CG2 4.44Å; A127-T148 PolarHBondContact N-O 2.96Å; T148-Q181 HydrophobicContact CG2-CB 3.9Å; T148-Q181 HydrophobicContact CG2-CG 3.92Å
149	Y	95.5	Very high	92.1	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	133.3	163.8	-60.7	-95.1	0	0	0	109.7	I123 A127 I132 V143 Q181 V182 A187 L192	I123-Y149 HydrophobicContact CD1-CE1 4.08Å; I123-Y149 WeakPolarHBondContact CD1-OH 3.42Å; A127-Y149 HydrophobicContact CB-CD1 3.98Å; A127-Y149 HydrophobicContact CB-CE1 4.08Å; A127-Y149 VanDerWaalsContact O-CA 3.31Å; A127-Y149 WeakPolarHBondContact O-CA 3.4Å; I132-Y149 HydrophobicContact CD1-CD1 4.31Å; I132-Y149 HydrophobicContact CG1-CD1 4.04Å; I132-Y149 HydrophobicContact CG2-CD1 4.44Å; V143-Y149 HydrophobicContact CG2-CE2 3.86Å; Y149-Q181 WeakPolarHBondContact O-CA 3.32Å; Y149-V182 PolarHBondContact N-O 3.38Å; Y149-V182 PolarHBondContact O-N 3.01Å; Y149-A187 HydrophobicContact CD2-CB 3.78Å; Y149-A187 HydrophobicContact CE2-CB 3.39Å; Y149-L192 HydrophobicContact CD1-CD2 4.01Å; Y149-L192 HydrophobicContact CD2-CD2 4.17Å; Y149-L192 HydrophobicContact CE1-CD2 4.14Å; Y149-L192 HydrophobicContact CE2-CD2 4.26Å; Y149-L192 HydrophobicContact CG-CD2 4.04Å
150	Y	92.5	Very high	91.9	Very high	70 Å²	70	38.2 Å²	38.2	28%	0.275	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	129	177.2	177.5	-122.6	0	0	0	110.6	A127 V128 A129 I132 D152 G179 Q181	A127-Y150 PolarHBondContact O-N 3.17Å; V128-Y150 VanDerWaalsContact CA-O 3.3Å; V128-Y150 WeakPolarHBondContact CA-O 3.39Å; V128-Y150 HydrophobicContact CG1-CD1 3.88Å; V128-Y150 WeakPolarHBondContact CG1-O 3.44Å; A129-Y150 PolarHBondContact N-O 3.3Å; I132-Y150 VanDerWaalsContact CD1-O 3.22Å; I132-Y150 WeakPolarHBondContact CD1-O 3.33Å; Y150-D152 HydrophobicContact CD1-CB 4.28Å; Y150-D152 HydrophobicContact CE1-CB 3.49Å; Y150-D152 VanDerWaalsContact CE1-CB 3.49Å; Y150-D152 WeakPolarHBondContact CE1-OD2 3.41Å; Y150-D152 HydrophobicContact CE2-CB 4.2Å; Y150-D152 VanDerWaalsContact CZ-CB 3.44Å; Y150-D152 WeakPolarHBondContact OH-CB 3.18Å; Y150-G179 VanDerWaalsContact CD2-O 3.27Å; Y150-G179 WeakPolarHBondContact CD2-O 3.46Å; Y150-G179 WeakPolarHBondContact CE2-O 3.3Å; Y150-Q181 HydrophobicContact CD2-CG 3.9Å; Y150-Q181 HydrophobicContact CG-CG 4.25Å
151	E	87	Confident	91.6	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.028	23%	0.225	C	C	.	.			trans	-113.4	125.4	172	-77.6	-69.3	-168.9	0	0	108.2	A129 I132 A159	A129-E151 WeakPolarHBondContact CA-OE2 3.38Å; I132-E151 HydrophobicContact CD1-CG 3.73Å; E151-A159 WeakPolarHBondContact OE1-CB 3.48Å
152	D	81.5	Confident	91.5	Very high	90 Å²	90	40.1 Å²	40.1	48%	0.481	23%	0.227	S	C	.	.			trans	-135.9	-5.9	-178.4	64.9	-15.7	0	0	0	114.5	Y150	Y150-D152 HydrophobicContact CD1-CB 4.28Å; Y150-D152 HydrophobicContact CE1-CB 3.49Å; Y150-D152 VanDerWaalsContact CE1-CB 3.49Å; Y150-D152 WeakPolarHBondContact CE1-OD2 3.41Å; Y150-D152 HydrophobicContact CE2-CB 4.2Å; Y150-D152 VanDerWaalsContact CZ-CB 3.44Å; Y150-D152 WeakPolarHBondContact OH-CB 3.18Å
153	I	81.2	Confident	91.3	Very high	66 Å²	66	40 Å²	40	34%	0.338	23%	0.226	S	C	.	.	S	Bend	trans	-128.3	156.9	178.6	59.4	172.3	0	0	0	110.5	A129 S155	A129-I153 HydrophobicContact CB-CD1 3.77Å; A129-I153 HydrophobicContact CB-CG1 3.68Å; I153-S155 PolarHBondContact O-N 2.86Å; I153-S155 VanDerWaalsContact O-N 3.11Å
154	P	82.8	Confident	91.2	Very high	115 Å²	115	41.6 Å²	41.6	75%	0.747	24%	0.236	S	C	*	.			trans	-56.8	119.1	175.8	-25.7	35.2	0	0	0	111.7	V156	P154-V156 PolarHBondContact O-N 2.83Å
155	S	83.3	Confident	91	Very high	25 Å²	25	47.4 Å²	47.4	18%	0.175	26%	0.262	C	S	.	.			trans	-67.2	126.6	178	-41.3	0	0	0	0	110.9	E133 I153 A159	E133-S155 WeakPolarHBondContact OE1-CA 3.3Å; E133-S155 VanDerWaalsContact OE1-CB 3.3Å; E133-S155 WeakPolarHBondContact OE1-CB 3.26Å; I153-S155 PolarHBondContact O-N 2.86Å; I153-S155 VanDerWaalsContact O-N 3.11Å; S155-A159 WeakPolarHBondContact OG-CB 3.36Å
156	V	83.8	Confident	91	Very high	48 Å²	48	46.3 Å²	46.3	29%	0.291	26%	0.258	S	S	.	.			trans	-113.8	-11.6	-176.2	-68.2	0	0	0	0	113.2	I100 R104 E133 P154	I100-V156 HydrophobicContact CG2-CB 4.42Å; I100-V156 HydrophobicContact CG2-CG1 4.43Å; I100-V156 HydrophobicContact CG2-CG2 3.89Å; R104-V156 PolarHBondContact NH1-O 2.99Å; E133-V156 PolarHBondContact OE1-N 2.76Å; E133-V156 VanDerWaalsContact OE1-N 3.1Å; P154-V156 PolarHBondContact O-N 2.83Å
157	N	84.3	Confident	91	Very high	31 Å²	31	42.7 Å²	42.7	17%	0.166	24%	0.235	C	C	.	.	S	Bend	trans	-115.5	23.1	-176.6	-48.6	-54.2	0	0	0	113	L109 E133 R162	L109-N157 HydrophobicContact CD1-CB 3.56Å; L109-N157 WeakPolarHBondContact CD1-OD1 3.35Å; L109-N157 HydrophobicContact CD2-CB 3.74Å; L109-N157 HydrophobicContact CG-CB 4.24Å; E133-N157 HydrophobicContact CB-CB 4.1Å; E133-N157 VanDerWaalsContact CD-CB 3.48Å; E133-N157 HydrophobicContact CG-CB 4.29Å; E133-N157 WeakPolarHBondContact OE1-CA 3.49Å; E133-N157 PolarHBondContact OE1-N 2.87Å; E133-N157 WeakPolarHBondContact OE2-CB 3.39Å; E133-N157 PolarHBondContact OE2-ND2 3.49Å; N157-R162 PolarHBondContact O-NH1 3.31Å
158	G	88.3	Confident	91	Very high	14 Å²	14	44.2 Å²	44.2	14%	0.144	25%	0.251	C	S	.	.	S	Bend	trans	98.4	16.7	164.8	0	0	0	0	0	115.5	E133 T160 V161 R162	E133-G158 PolarHBondContact OE1-N 2.85Å; G158-T160 VanDerWaalsContact C-N 3.3Å; G158-T160 PolarHBondContact O-N 2.75Å; G158-V161 WeakPolarHBondContact O-CB 3.42Å; G158-V161 PolarHBondContact O-N 3.22Å; G158-V161 VanDerWaalsContact O-N 3.07Å; G158-R162 PolarHBondContact O-N 2.79Å
159	A	91.4	Very high	91	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56.6	-45.3	172.3	0	0	0	0	0	111.5	E133 L136 E151 S155 V161 R162 L163	E133-A159 HydrophobicContact CG-CB 3.82Å; L136-A159 HydrophobicContact CD1-CB 4.1Å; E151-A159 WeakPolarHBondContact OE1-CB 3.48Å; S155-A159 WeakPolarHBondContact OG-CB 3.36Å; A159-V161 PolarHBondContact O-N 2.83Å; A159-V161 VanDerWaalsContact O-N 3.14Å; A159-R162 PolarHBondContact O-N 2.87Å; A159-L163 HydrophobicContact CB-CD1 3.95Å; A159-L163 HydrophobicContact CB-CG 4.44Å; A159-L163 VanDerWaalsContact O-CB 3.23Å; A159-L163 WeakPolarHBondContact O-CB 3.36Å; A159-L163 WeakPolarHBondContact O-CG 3.45Å; A159-L163 PolarHBondContact O-N 3.46Å
160	T	93.3	Very high	91.1	Very high	79 Å²	79	53.2 Å²	53.2	49%	0.485	31%	0.306	S	S	.	.	H	α-helix	trans	-63.4	-18	177	52.6	0	0	0	0	114	G158 P164 I176	G158-T160 VanDerWaalsContact C-N 3.3Å; G158-T160 PolarHBondContact O-N 2.75Å; T160-P164 WeakPolarHBondContact O-CD 3.2Å; T160-P164 VanDerWaalsContact O-CG 3.3Å; T160-P164 WeakPolarHBondContact O-CG 3.5Å; T160-I176 HydrophobicContact CG2-CD1 4.16Å
161	V	93.3	Very high	91.3	Very high	78 Å²	78	54.7 Å²	54.7	47%	0.473	31%	0.311	S	S	.	.	H	α-helix	trans	-90.2	-42.8	175.5	-178.9	0	0	0	0	110.7	G158 A159 K165 F233	G158-V161 WeakPolarHBondContact O-CB 3.42Å; G158-V161 PolarHBondContact O-N 3.22Å; G158-V161 VanDerWaalsContact O-N 3.07Å; A159-V161 PolarHBondContact O-N 2.83Å; A159-V161 VanDerWaalsContact O-N 3.14Å; V161-K165 WeakPolarHBondContact O-CG 3.19Å; V161-F233 HydrophobicContact CG1-CD1 4.26Å; V161-F233 HydrophobicContact CG1-CE1 4.18Å
162	R	95.2	Very high	91.8	Very high	24 Å²	24	54.5 Å²	54.5	9%	0.091	31%	0.311	C	S	.	.	H	α-helix	trans	-86.1	-46.3	-172.5	-68.5	178.2	170.4	86.7	6.2	112.8	E113 L136 L137 N157 G158 A159 K165 L166 F233	E113-R162 IonicContact OE1-CZ 2.77Å; E113-R162 IonicContact OE1-NH1 3.7Å; E113-R162 IonicContact OE1-NH2 2.73Å; E113-R162 PolarHBondContact OE1-NH2 3.48Å; L136-R162 HydrophobicContact CB-CB 4.3Å; L136-R162 HydrophobicContact CD1-CB 4.25Å; L137-R162 VanDerWaalsContact CD2-CZ 3.5Å; N157-R162 PolarHBondContact O-NH1 3.31Å; G158-R162 PolarHBondContact O-N 2.79Å; A159-R162 PolarHBondContact O-N 2.87Å; R162-K165 WeakPolarHBondContact O-CB 3.27Å; R162-K165 PolarHBondContact O-N 3.03Å; R162-L166 WeakPolarHBondContact O-CD1 3.39Å; R162-L166 PolarHBondContact O-N 2.88Å; R162-L166 VanDerWaalsContact O-N 3.11Å; R162-F233 HydrophobicContact CG-CE1 4.17Å; R162-F233 HydrophobicContact CG-CZ 4.08Å
163	L	95.2	Very high	92.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-49.7	-54.6	-179.1	-75.7	169.3	0	0	0	113.2	L136 A159 K165 L166 I167 A172 I176 L192	L136-L163 HydrophobicContact CD1-CD2 3.93Å; L136-L163 HydrophobicContact CD1-CG 3.75Å; L136-L163 HydrophobicContact CD2-CD2 4.18Å; A159-L163 HydrophobicContact CB-CD1 3.95Å; A159-L163 HydrophobicContact CB-CG 4.44Å; A159-L163 VanDerWaalsContact O-CB 3.23Å; A159-L163 WeakPolarHBondContact O-CB 3.36Å; A159-L163 WeakPolarHBondContact O-CG 3.45Å; A159-L163 PolarHBondContact O-N 3.46Å; L163-K165 PolarHBondContact O-N 3.14Å; L163-K165 VanDerWaalsContact O-N 3.15Å; L163-L166 PolarHBondContact O-N 3.46Å; L163-I167 HydrophobicContact CD2-CD1 4.22Å; L163-I167 VanDerWaalsContact O-CG1 3.24Å; L163-I167 WeakPolarHBondContact O-CG1 3.26Å; L163-I167 PolarHBondContact O-N 3Å; L163-A172 HydrophobicContact CB-CB 3.95Å; L163-I176 HydrophobicContact CD1-CD1 4.1Å; L163-I176 HydrophobicContact CD1-CG1 4.41Å; L163-L192 HydrophobicContact CD2-CD1 3.86Å
164	P	96.2	Very high	93.1	Very high	32 Å²	32	54.4 Å²	54.4	21%	0.208	31%	0.307	C	S	.	.	H	α-helix	trans	-64.3	-24.7	-177.3	25.8	-35.5	0	0	0	113.2	T160 G168 L169 A172	T160-P164 WeakPolarHBondContact O-CD 3.2Å; T160-P164 VanDerWaalsContact O-CG 3.3Å; T160-P164 WeakPolarHBondContact O-CG 3.5Å; P164-G168 CarbonylContact O-C 3.27Å; P164-G168 WeakPolarHBondContact O-CA 3.38Å; P164-G168 PolarHBondContact O-N 3.2Å; P164-L169 HydrophobicContact CB-CB 4.5Å; P164-L169 HydrophobicContact CB-CD1 4.21Å; P164-A172 HydrophobicContact CB-CB 4.18Å
165	K	96.2	Very high	93.7	Very high	135 Å²	135	49 Å²	49	59%	0.587	27%	0.271	S	S	*	.	H	α-helix	trans	-75.7	-28.3	174.3	-63.2	-68.3	-173.7	167.6	0	112.5	V161 R162 L163 V232 F233	V161-K165 WeakPolarHBondContact O-CG 3.19Å; R162-K165 WeakPolarHBondContact O-CB 3.27Å; R162-K165 PolarHBondContact O-N 3.03Å; L163-K165 PolarHBondContact O-N 3.14Å; L163-K165 VanDerWaalsContact O-N 3.15Å; K165-V232 HydrophobicContact CB-CG1 4.17Å; K165-V232 HydrophobicContact CD-CG1 4.16Å; K165-V232 HydrophobicContact CG-CG1 4.12Å; K165-F233 HydrophobicContact CG-CE1 4.32Å
166	L	96.5	Very high	94.2	Very high	54 Å²	54	50.7 Å²	50.7	28%	0.283	28%	0.278	S	S	.	.	H	α-helix	trans	-87.2	-46	179.6	-86.9	70	0	0	0	112.5	L136 R162 L163 L192	L136-L166 HydrophobicContact CD2-CD2 3.67Å; R162-L166 WeakPolarHBondContact O-CD1 3.39Å; R162-L166 PolarHBondContact O-N 2.88Å; R162-L166 VanDerWaalsContact O-N 3.11Å; L163-L166 PolarHBondContact O-N 3.46Å; L166-L192 HydrophobicContact CD2-CD1 4.25Å
167	I	97.5	Very high	94.7	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-116.4	2.3	-171.4	60.8	172.7	0	0	0	114.2	L163 R171 A172 M175 W190 L192	L163-I167 HydrophobicContact CD2-CD1 4.22Å; L163-I167 VanDerWaalsContact O-CG1 3.24Å; L163-I167 WeakPolarHBondContact O-CG1 3.26Å; L163-I167 PolarHBondContact O-N 3Å; I167-R171 HydrophobicContact CB-CB 4.16Å; I167-R171 HydrophobicContact CD1-CB 3.81Å; I167-R171 HydrophobicContact CG1-CB 4.03Å; I167-R171 VanDerWaalsContact O-CD 3.31Å; I167-R171 WeakPolarHBondContact O-CD 3.36Å; I167-A172 HydrophobicContact CD1-CB 4.4Å; I167-A172 HydrophobicContact CG1-CB 4.36Å; I167-M175 HydrophobicContact CD1-SD 3.56Å; I167-M175 VanDerWaalsContact CD1-SD 3.56Å; I167-W190 HydrophobicContact CB-CB 4.47Å; I167-W190 HydrophobicContact CD1-CE3 4.23Å; I167-W190 HydrophobicContact CG2-CB 4.01Å; I167-L192 HydrophobicContact CG2-CB 3.64Å; I167-L192 HydrophobicContact CG2-CD1 4.35Å
168	G	98	Very high	95.1	Very high	33 Å²	33	57.4 Å²	57.4	34%	0.34	31%	0.314	S	S	.	.			trans	79.1	154	-173.3	0	0	0	0	0	112.8	P164 S170 R171 A172	P164-G168 CarbonylContact O-C 3.27Å; P164-G168 WeakPolarHBondContact O-CA 3.38Å; P164-G168 PolarHBondContact O-N 3.2Å; G168-S170 VanDerWaalsContact C-N 3.33Å; G168-S170 PolarHBondContact O-N 2.96Å; G168-R171 PolarHBondContact O-N 2.69Å; G168-A172 PolarHBondContact O-N 3.4Å
169	L	97.6	Very high	95.3	Very high	114 Å²	114	57.7 Å²	57.7	60%	0.597	32%	0.318	S	S	*	.	H	α-helix	trans	-59.5	-40	-173.9	-177.1	60.7	0	0	0	113.2	P164 R171 A172 M173	P164-L169 HydrophobicContact CB-CB 4.5Å; P164-L169 HydrophobicContact CB-CD1 4.21Å; L169-R171 PolarHBondContact O-N 2.92Å; L169-A172 PolarHBondContact O-N 3.34Å; L169-M173 HydrophobicContact CD1-CE 4.06Å; L169-M173 HydrophobicContact CD1-CG 4.13Å; L169-M173 HydrophobicContact CG-CG 4.32Å; L169-M173 WeakPolarHBondContact O-CB 3.39Å; L169-M173 VanDerWaalsContact O-CG 3.31Å; L169-M173 WeakPolarHBondContact O-CG 3.35Å; L169-M173 PolarHBondContact O-N 3.17Å
170	S	97.8	Very high	95.5	Very high	98 Å²	98	63.2 Å²	63.2	69%	0.685	34%	0.338	S	S	*	.	H	α-helix	trans	-62.5	-43.9	-177	-169.7	0	0	0	0	112.7	G168 M173 E174	G168-S170 VanDerWaalsContact C-N 3.33Å; G168-S170 PolarHBondContact O-N 2.96Å; S170-M173 PolarHBondContact O-N 3.07Å; S170-E174 PolarHBondContact O-N 2.91Å
171	R	97.4	Very high	95.6	Very high	100 Å²	100	65 Å²	65	38%	0.377	34%	0.341	S	S	.	.	H	α-helix	trans	-73.9	-36.9	-179.4	-61.7	179.9	-176.9	144.9	-5.3	111.2	I167 G168 L169 M173 E174 M175 W190	I167-R171 HydrophobicContact CB-CB 4.16Å; I167-R171 HydrophobicContact CD1-CB 3.81Å; I167-R171 HydrophobicContact CG1-CB 4.03Å; I167-R171 VanDerWaalsContact O-CD 3.31Å; I167-R171 WeakPolarHBondContact O-CD 3.36Å; G168-R171 PolarHBondContact O-N 2.69Å; L169-R171 PolarHBondContact O-N 2.92Å; R171-M173 VanDerWaalsContact C-N 3.33Å; R171-M173 PolarHBondContact O-N 3.14Å; R171-E174 PolarHBondContact O-N 3.2Å; R171-M175 WeakPolarHBondContact O-CG 3.34Å; R171-M175 PolarHBondContact O-N 3.24Å; R171-W190 HydrophobicContact CB-CD2 4.34Å; R171-W190 HydrophobicContact CB-CE3 4.04Å; R171-W190 HydrophobicContact CB-CH2 4.48Å; R171-W190 HydrophobicContact CB-CZ3 4.11Å; R171-W190 HydrophobicContact CG-CD2 4.25Å; R171-W190 HydrophobicContact CG-CE3 4.45Å; R171-W190 PolarHBondContact NH1-O 3.12Å
172	A	96.1	Very high	95.8	Very high	3 Å²	3	61.2 Å²	61.2	3%	0.025	32%	0.319	C	S	.	.	H	α-helix	trans	-60	-44.2	171.8	0	0	0	0	0	111.5	L163 P164 I167 G168 L169 M175 I176	L163-A172 HydrophobicContact CB-CB 3.95Å; P164-A172 HydrophobicContact CB-CB 4.18Å; I167-A172 HydrophobicContact CD1-CB 4.4Å; I167-A172 HydrophobicContact CG1-CB 4.36Å; G168-A172 PolarHBondContact O-N 3.4Å; L169-A172 PolarHBondContact O-N 3.34Å; A172-M175 PolarHBondContact O-N 2.95Å; A172-I176 WeakPolarHBondContact O-CB 3.49Å; A172-I176 VanDerWaalsContact O-CG1 3.29Å; A172-I176 WeakPolarHBondContact O-CG1 3.47Å; A172-I176 PolarHBondContact O-N 3.49Å
173	M	95.9	Very high	96	Very high	89 Å²	89	63.9 Å²	63.9	44%	0.438	33%	0.334	S	S	.	.	H	α-helix	trans	-63.3	-42.1	174.9	-76.2	-64.3	-172.1	0	0	112.2	L169 S170 R171 M175 I176 I177	L169-M173 HydrophobicContact CD1-CE 4.06Å; L169-M173 HydrophobicContact CD1-CG 4.13Å; L169-M173 HydrophobicContact CG-CG 4.32Å; L169-M173 WeakPolarHBondContact O-CB 3.39Å; L169-M173 VanDerWaalsContact O-CG 3.31Å; L169-M173 WeakPolarHBondContact O-CG 3.35Å; L169-M173 PolarHBondContact O-N 3.17Å; S170-M173 PolarHBondContact O-N 3.07Å; R171-M173 VanDerWaalsContact C-N 3.33Å; R171-M173 PolarHBondContact O-N 3.14Å; M173-M175 PolarHBondContact O-N 3.42Å; M173-I176 PolarHBondContact O-N 3.42Å; M173-I177 HydrophobicContact CB-CD1 4.29Å; M173-I177 HydrophobicContact CG-CD1 4.49Å; M173-I177 VanDerWaalsContact O-CB 3.3Å; M173-I177 WeakPolarHBondContact O-CB 3.49Å; M173-I177 PolarHBondContact O-N 3.12Å; M173-I177 HydrophobicContact SD-CD1 3.57Å; M173-I177 VanDerWaalsContact SD-CD1 3.57Å; M173-I177 HydrophobicContact SD-CG1 4.15Å
174	E	95.1	Very high	96.1	Very high	64 Å²	64	63.9 Å²	63.9	30%	0.299	33%	0.334	S	S	.	.	H	α-helix	trans	-58	-48.6	176	-172.5	179.9	170.3	0	0	111.1	S170 R171 T178 R180	S170-E174 PolarHBondContact O-N 2.91Å; R171-E174 PolarHBondContact O-N 3.2Å; E174-T178 WeakPolarHBondContact O-CB 3.42Å; E174-T178 PolarHBondContact O-N 3.3Å; E174-T178 PolarHBondContact O-OG1 3.34Å; E174-R180 WeakPolarHBondContact OE1-CD 3.46Å; E174-R180 IonicContact OE1-CZ 3.65Å; E174-R180 IonicContact OE1-NE 3.91Å; E174-R180 IonicContact OE1-NH1 2.67Å; E174-R180 PolarHBondContact OE1-NH1 3.12Å
175	M	95	Very high	96.2	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-59.4	-51.9	177	-69.5	179.9	67.9	0	0	112.2	I167 R171 A172 M173 G179 V182 W190 L192	I167-M175 HydrophobicContact CD1-SD 3.56Å; I167-M175 VanDerWaalsContact CD1-SD 3.56Å; R171-M175 WeakPolarHBondContact O-CG 3.34Å; R171-M175 PolarHBondContact O-N 3.24Å; A172-M175 PolarHBondContact O-N 2.95Å; M173-M175 PolarHBondContact O-N 3.42Å; M175-G179 WeakPolarHBondContact O-CA 3.36Å; M175-G179 PolarHBondContact O-N 3.1Å; M175-G179 VanDerWaalsContact O-N 3.14Å; M175-V182 HydrophobicContact CE-CB 4.31Å; M175-V182 HydrophobicContact CE-CG2 4.02Å; M175-V182 HydrophobicContact CG-CG2 3.65Å; M175-V182 HydrophobicContact SD-CG2 3.93Å; M175-W190 HydrophobicContact CG-CZ3 3.79Å; M175-W190 HydrophobicContact SD-CE3 4.35Å; M175-W190 HydrophobicContact SD-CZ3 3.92Å; M175-L192 HydrophobicContact CE-CD2 4.33Å
176	I	93.8	Very high	96.3	Very high	62 Å²	62	62.1 Å²	62.1	32%	0.318	32%	0.322	S	S	.	.	H	α-helix	trans	-75.4	-44	-168.9	-66.6	168	0	0	0	112.1	T160 L163 A172 M173	T160-I176 HydrophobicContact CG2-CD1 4.16Å; L163-I176 HydrophobicContact CD1-CD1 4.1Å; L163-I176 HydrophobicContact CD1-CG1 4.41Å; A172-I176 WeakPolarHBondContact O-CB 3.49Å; A172-I176 VanDerWaalsContact O-CG1 3.29Å; A172-I176 WeakPolarHBondContact O-CG1 3.47Å; A172-I176 PolarHBondContact O-N 3.49Å; M173-I176 PolarHBondContact O-N 3.42Å
177	I	94.1	Very high	96.4	Very high	127 Å²	127	59.5 Å²	59.5	65%	0.651	31%	0.309	S	S	*	.	H	α-helix	trans	-77.3	-40.1	-174.5	-66	177.3	0	0	0	111.1	M173	M173-I177 HydrophobicContact CB-CD1 4.29Å; M173-I177 HydrophobicContact CG-CD1 4.49Å; M173-I177 VanDerWaalsContact O-CB 3.3Å; M173-I177 WeakPolarHBondContact O-CB 3.49Å; M173-I177 PolarHBondContact O-N 3.12Å; M173-I177 HydrophobicContact SD-CD1 3.57Å; M173-I177 VanDerWaalsContact SD-CD1 3.57Å; M173-I177 HydrophobicContact SD-CG1 4.15Å
178	T	94.1	Very high	96.5	Very high	92 Å²	92	64.2 Å²	64.2	56%	0.564	33%	0.327	S	S	*	.	H	α-helix	trans	-89.4	-13.2	-174.9	73.9	0	0	0	0	113	E174 R180	E174-T178 WeakPolarHBondContact O-CB 3.42Å; E174-T178 PolarHBondContact O-N 3.3Å; E174-T178 PolarHBondContact O-OG1 3.34Å; T178-R180 PolarHBondContact O-N 3.43Å; T178-R180 WeakPolarHBondContact OG1-CB 3.46Å; T178-R180 PolarHBondContact OG1-N 3.22Å; T178-R180 VanDerWaalsContact OG1-N 3.12Å
179	G	92	Very high	96.5	Very high	21 Å²	21	67.1 Å²	67.1	22%	0.216	34%	0.335	C	S	.	.			trans	60	24.1	-167.9	0	0	0	0	0	112	Y150 M175 Q181	Y150-G179 VanDerWaalsContact CD2-O 3.27Å; Y150-G179 WeakPolarHBondContact CD2-O 3.46Å; Y150-G179 WeakPolarHBondContact CE2-O 3.3Å; M175-G179 WeakPolarHBondContact O-CA 3.36Å; M175-G179 PolarHBondContact O-N 3.1Å; M175-G179 VanDerWaalsContact O-N 3.14Å; G179-Q181 PolarHBondContact O-N 3.45Å
180	R	94.3	Very high	96.5	Very high	115 Å²	115	63.1 Å²	63.1	43%	0.434	31%	0.312	S	S	.	.			trans	-64.8	127.7	-178.6	173.1	177.9	178.4	-177	2.7	109.7	E174 T178	E174-R180 WeakPolarHBondContact OE1-CD 3.46Å; E174-R180 IonicContact OE1-CZ 3.65Å; E174-R180 IonicContact OE1-NE 3.91Å; E174-R180 IonicContact OE1-NH1 2.67Å; E174-R180 PolarHBondContact OE1-NH1 3.12Å; T178-R180 PolarHBondContact O-N 3.43Å; T178-R180 WeakPolarHBondContact OG1-CB 3.46Å; T178-R180 PolarHBondContact OG1-N 3.22Å; T178-R180 VanDerWaalsContact OG1-N 3.12Å
181	Q	96.7	Very high	96.5	Very high	116 Å²	116	60.4 Å²	60.4	54%	0.542	30%	0.299	S	S	.	.			trans	-66.2	132.3	168.7	-68.1	-175.7	-1.3	0	0	111	T148 Y149 Y150 G179	T148-Q181 HydrophobicContact CG2-CB 3.9Å; T148-Q181 HydrophobicContact CG2-CG 3.92Å; Y149-Q181 WeakPolarHBondContact O-CA 3.32Å; Y150-Q181 HydrophobicContact CD2-CG 3.9Å; Y150-Q181 HydrophobicContact CG-CG 4.25Å; G179-Q181 PolarHBondContact O-N 3.45Å
182	V	97.8	Very high	96.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117.6	176.9	173.9	0	0	0	0	108.3	Y149 M175 L186 A187 W190	Y149-V182 PolarHBondContact N-O 3.38Å; Y149-V182 PolarHBondContact O-N 3.01Å; M175-V182 HydrophobicContact CE-CB 4.31Å; M175-V182 HydrophobicContact CE-CG2 4.02Å; M175-V182 HydrophobicContact CG-CG2 3.65Å; M175-V182 HydrophobicContact SD-CG2 3.93Å; V182-L186 HydrophobicContact CG1-CB 4.05Å; V182-L186 HydrophobicContact CG1-CD2 4.18Å; V182-L186 HydrophobicContact CG1-CG 4.13Å; V182-L186 HydrophobicContact CG2-CD2 4.49Å; V182-A187 HydrophobicContact CG1-CB 4.08Å; V182-W190 HydrophobicContact CG1-CE3 4.2Å; V182-W190 HydrophobicContact CG1-CZ3 4.21Å; V182-W190 HydrophobicContact CG2-CE3 4.31Å; V182-W190 HydrophobicContact CG2-CH2 3.92Å; V182-W190 HydrophobicContact CG2-CZ3 3.51Å
183	N	98.2	Very high	96.6	Very high	79 Å²	79	55.7 Å²	55.7	42%	0.422	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	168.4	177.6	70.9	18.2	0	0	0	112.1	A147 R185 L186 A187	A147-N183 CarbonylContact O-C 3.57Å; A147-N183 VanDerWaalsContact O-C 3.3Å; A147-N183 WeakPolarHBondContact O-CA 3.28Å; N183-R185 VanDerWaalsContact C-N 3.33Å; N183-R185 PolarHBondContact O-N 2.9Å; N183-R185 PolarHBondContact OD1-N 3.48Å; N183-L186 PolarHBondContact O-N 2.88Å; N183-L186 VanDerWaalsContact OD1-CB 3.25Å; N183-L186 WeakPolarHBondContact OD1-CB 3.48Å; N183-L186 PolarHBondContact OD1-N 3.47Å; N183-A187 WeakPolarHBondContact O-CB 3.28Å; N183-A187 PolarHBondContact O-N 3.07Å
184	G	98.4	Very high	96.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.4	-36	-177.3	0	0	0	0	0	114.4	V143 E144 E145 A147 A187 Y188	V143-G184 WeakPolarHBondContact CG1-O 3.31Å; E144-G184 WeakPolarHBondContact O-CA 3.44Å; E145-G184 PolarHBondContact O-N 2.87Å; A147-G184 PolarHBondContact O-N 3.19Å; G184-A187 PolarHBondContact O-N 3.34Å; G184-Y188 PolarHBondContact O-N 3.48Å
185	R	98.4	Very high	96.9	Very high	95 Å²	95	57 Å²	57	36%	0.358	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-52.5	173.5	178.7	66.3	66	-168.3	0.7	111.2	E145 N183 A187 Y188 D189	E145-R185 HydrophobicContact CG-CB 4.33Å; E145-R185 PolarHBondContact O-N 3.34Å; E145-R185 IonicContact OE1-CZ 3.3Å; E145-R185 VanDerWaalsContact OE1-CZ 3.3Å; E145-R185 IonicContact OE1-NE 3.03Å; E145-R185 PolarHBondContact OE1-NE 2.97Å; E145-R185 IonicContact OE1-NH2 2.75Å; E145-R185 PolarHBondContact OE1-NH2 3.39Å; E145-R185 IonicContact OE2-NH2 3.26Å; E145-R185 PolarHBondContact OE2-NH2 3.43Å; N183-R185 VanDerWaalsContact C-N 3.33Å; N183-R185 PolarHBondContact O-N 2.9Å; N183-R185 PolarHBondContact OD1-N 3.48Å; R185-A187 VanDerWaalsContact C-N 3.31Å; R185-A187 PolarHBondContact O-N 3.36Å; R185-Y188 WeakPolarHBondContact O-CB 3.36Å; R185-Y188 PolarHBondContact O-N 2.96Å; R185-Y188 VanDerWaalsContact O-N 3.13Å; R185-D189 VanDerWaalsContact O-CG 3.3Å; R185-D189 PolarHBondContact O-N 3.33Å
186	L	98	Very high	97.1	Very high	35 Å²	35	58.2 Å²	58.2	18%	0.183	29%	0.292	C	S	.	.	H	α-helix	trans	-65.1	-37.3	-179.3	-171.1	63	0	0	0	111.4	V182 N183 Y188 D189 W190	V182-L186 HydrophobicContact CG1-CB 4.05Å; V182-L186 HydrophobicContact CG1-CD2 4.18Å; V182-L186 HydrophobicContact CG1-CG 4.13Å; V182-L186 HydrophobicContact CG2-CD2 4.49Å; N183-L186 PolarHBondContact O-N 2.88Å; N183-L186 VanDerWaalsContact OD1-CB 3.25Å; N183-L186 WeakPolarHBondContact OD1-CB 3.48Å; N183-L186 PolarHBondContact OD1-N 3.47Å; L186-Y188 VanDerWaalsContact C-N 3.31Å; L186-Y188 PolarHBondContact O-N 2.92Å; L186-D189 PolarHBondContact O-N 3.18Å; L186-W190 HydrophobicContact CD1-CD2 4.32Å; L186-W190 HydrophobicContact CD1-CG 4.46Å; L186-W190 HydrophobicContact CD1-CZ2 4.05Å; L186-W190 VanDerWaalsContact CD1-NE1 3.26Å; L186-W190 HydrophobicContact CD2-CH2 4.06Å; L186-W190 HydrophobicContact CD2-CZ2 3.69Å; L186-W190 HydrophobicContact CG-CD2 3.99Å; L186-W190 HydrophobicContact CG-CG 4.42Å; L186-W190 HydrophobicContact CG-CH2 4.46Å; L186-W190 HydrophobicContact CG-CZ2 3.88Å; L186-W190 WeakPolarHBondContact O-CB 3.4Å; L186-W190 VanDerWaalsContact O-CG 3.24Å; L186-W190 PolarHBondContact O-N 2.74Å
187	A	98.5	Very high	97.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-58.9	-41.5	172.9	0	0	0	0	0	111.8	Y149 V182 N183 G184 R185 G191 L192 A193	Y149-A187 HydrophobicContact CD2-CB 3.78Å; Y149-A187 HydrophobicContact CE2-CB 3.39Å; V182-A187 HydrophobicContact CG1-CB 4.08Å; N183-A187 WeakPolarHBondContact O-CB 3.28Å; N183-A187 PolarHBondContact O-N 3.07Å; G184-A187 PolarHBondContact O-N 3.34Å; R185-A187 VanDerWaalsContact C-N 3.31Å; R185-A187 PolarHBondContact O-N 3.36Å; A187-G191 PolarHBondContact O-N 3.43Å; A187-L192 HydrophobicContact CB-CB 4.07Å; A187-L192 HydrophobicContact CB-CD2 4.06Å; A187-L192 HydrophobicContact CB-CG 4.37Å; A187-L192 WeakPolarHBondContact O-CA 3.41Å; A187-L192 VanDerWaalsContact O-CB 3.26Å; A187-L192 WeakPolarHBondContact O-CB 3.35Å; A187-L192 PolarHBondContact O-N 2.88Å; A187-A193 HydrophobicContact CB-CB 4.42Å; A187-A193 PolarHBondContact O-N 2.74Å
188	Y	98.6	Very high	97.6	Very high	104 Å²	104	54.1 Å²	54.1	41%	0.408	28%	0.279	S	S	.	.	H	α-helix	trans	-65.6	-48.8	172.9	171.4	-102.3	0	0	0	112	G184 R185 L186 W190 G191 N194 V196	G184-Y188 PolarHBondContact O-N 3.48Å; R185-Y188 WeakPolarHBondContact O-CB 3.36Å; R185-Y188 PolarHBondContact O-N 2.96Å; R185-Y188 VanDerWaalsContact O-N 3.13Å; L186-Y188 VanDerWaalsContact C-N 3.31Å; L186-Y188 PolarHBondContact O-N 2.92Å; Y188-W190 PolarHBondContact O-N 2.85Å; Y188-G191 PolarHBondContact O-N 3.37Å; Y188-N194 WeakPolarHBondContact CE2-O 3.4Å; Y188-V196 HydrophobicContact CD1-CB 4.49Å; Y188-V196 HydrophobicContact CD1-CG1 3.65Å; Y188-V196 HydrophobicContact CD2-CG1 4.32Å; Y188-V196 HydrophobicContact CE1-CG1 4.26Å; Y188-V196 HydrophobicContact CG-CB 4.05Å; Y188-V196 HydrophobicContact CG-CG1 3.67Å
189	D	98.4	Very high	97.7	Very high	95 Å²	95	53.8 Å²	53.8	51%	0.508	28%	0.277	S	S	.	.	H	α-helix	trans	-60.8	-29.3	-179	-64.3	-19.1	0	0	0	112.5	R185 L186	R185-D189 VanDerWaalsContact O-CG 3.3Å; R185-D189 PolarHBondContact O-N 3.33Å; L186-D189 PolarHBondContact O-N 3.18Å
190	W	98	Very high	98	Very high	30 Å²	30	56 Å²	56	11%	0.114	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-12.9	176.9	-72.2	1.6	0	0	0	114.5	I167 R171 M175 V182 L186 Y188	I167-W190 HydrophobicContact CB-CB 4.47Å; I167-W190 HydrophobicContact CD1-CE3 4.23Å; I167-W190 HydrophobicContact CG2-CB 4.01Å; R171-W190 HydrophobicContact CB-CD2 4.34Å; R171-W190 HydrophobicContact CB-CE3 4.04Å; R171-W190 HydrophobicContact CB-CH2 4.48Å; R171-W190 HydrophobicContact CB-CZ3 4.11Å; R171-W190 HydrophobicContact CG-CD2 4.25Å; R171-W190 HydrophobicContact CG-CE3 4.45Å; R171-W190 PolarHBondContact NH1-O 3.12Å; M175-W190 HydrophobicContact CG-CZ3 3.79Å; M175-W190 HydrophobicContact SD-CE3 4.35Å; M175-W190 HydrophobicContact SD-CZ3 3.92Å; V182-W190 HydrophobicContact CG1-CE3 4.2Å; V182-W190 HydrophobicContact CG1-CZ3 4.21Å; V182-W190 HydrophobicContact CG2-CE3 4.31Å; V182-W190 HydrophobicContact CG2-CH2 3.92Å; V182-W190 HydrophobicContact CG2-CZ3 3.51Å; L186-W190 HydrophobicContact CD1-CD2 4.32Å; L186-W190 HydrophobicContact CD1-CG 4.46Å; L186-W190 HydrophobicContact CD1-CZ2 4.05Å; L186-W190 VanDerWaalsContact CD1-NE1 3.26Å; L186-W190 HydrophobicContact CD2-CH2 4.06Å; L186-W190 HydrophobicContact CD2-CZ2 3.69Å; L186-W190 HydrophobicContact CG-CD2 3.99Å; L186-W190 HydrophobicContact CG-CG 4.42Å; L186-W190 HydrophobicContact CG-CH2 4.46Å; L186-W190 HydrophobicContact CG-CZ2 3.88Å; L186-W190 WeakPolarHBondContact O-CB 3.4Å; L186-W190 VanDerWaalsContact O-CG 3.24Å; L186-W190 PolarHBondContact O-N 2.74Å; Y188-W190 PolarHBondContact O-N 2.85Å
191	G	97.8	Very high	98.2	Very high	41 Å²	41	53 Å²	53	42%	0.423	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	8.1	-172	0	0	0	0	0	114.3	A187 Y188 A193	A187-G191 PolarHBondContact O-N 3.43Å; Y188-G191 PolarHBondContact O-N 3.37Å; G191-A193 VanDerWaalsContact C-N 3.32Å
192	L	97.9	Very high	98.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-67.1	-36.9	171.8	-176.1	57.4	0	0	0	110.8	L136 R141 Y149 L163 L166 I167 M175 A187	L136-L192 HydrophobicContact CD2-CD1 3.73Å; R141-L192 VanDerWaalsContact CD-O 3.3Å; R141-L192 WeakPolarHBondContact CD-O 3.31Å; R141-L192 PolarHBondContact NE-O 2.74Å; Y149-L192 HydrophobicContact CD1-CD2 4.01Å; Y149-L192 HydrophobicContact CD2-CD2 4.17Å; Y149-L192 HydrophobicContact CE1-CD2 4.14Å; Y149-L192 HydrophobicContact CE2-CD2 4.26Å; Y149-L192 HydrophobicContact CG-CD2 4.04Å; L163-L192 HydrophobicContact CD2-CD1 3.86Å; L166-L192 HydrophobicContact CD2-CD1 4.25Å; I167-L192 HydrophobicContact CG2-CB 3.64Å; I167-L192 HydrophobicContact CG2-CD1 4.35Å; M175-L192 HydrophobicContact CE-CD2 4.33Å; A187-L192 HydrophobicContact CB-CB 4.07Å; A187-L192 HydrophobicContact CB-CD2 4.06Å; A187-L192 HydrophobicContact CB-CG 4.37Å; A187-L192 WeakPolarHBondContact O-CA 3.41Å; A187-L192 VanDerWaalsContact O-CB 3.26Å; A187-L192 WeakPolarHBondContact O-CB 3.35Å; A187-L192 PolarHBondContact O-N 2.88Å
193	A	98.6	Very high	98.4	Very high	4 Å²	4	50.2 Å²	50.2	3%	0.033	28%	0.283	C	S	.	.			trans	-114.7	148.6	175.6	0	0	0	0	0	111.9	R141 V143 A187 G191	R141-A193 HydrophobicContact CB-CB 4.23Å; V143-A193 HydrophobicContact CB-CB 4.02Å; V143-A193 HydrophobicContact CG1-CB 3.42Å; V143-A193 VanDerWaalsContact CG1-CB 3.42Å; A187-A193 HydrophobicContact CB-CB 4.42Å; A187-A193 PolarHBondContact O-N 2.74Å; G191-A193 VanDerWaalsContact C-N 3.32Å
194	N	98.6	Very high	98.4	Very high	70 Å²	70	48.2 Å²	48.2	37%	0.374	28%	0.281	S	S	.	.	S	Bend	trans	-85.3	-26.5	-179.5	-57.1	88.8	0	0	0	112.4	L140 R141 Y188	L140-N194 VanDerWaalsContact CA-OD1 3.26Å; L140-N194 WeakPolarHBondContact CA-OD1 3.21Å; R141-N194 PolarHBondContact N-OD1 3.47Å; R141-N194 PolarHBondContact O-N 2.95Å; Y188-N194 WeakPolarHBondContact CE2-O 3.4Å
195	R	98.6	Very high	98.4	Very high	110 Å²	110	51.9 Å²	51.9	42%	0.415	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	140.2	177.2	-62.2	-175.9	-179.5	-171.8	-1.8	110	R141 I142 V143	R141-R195 PolarHBondContact O-N 3.35Å; I142-R195 WeakPolarHBondContact CA-O 3.37Å; I142-R195 HydrophobicContact CG1-CB 4.26Å; I142-R195 HydrophobicContact CG2-CB 4.26Å; V143-R195 PolarHBondContact N-O 3.36Å
196	V	98.7	Very high	98.4	Very high	27 Å²	27	47.4 Å²	47.4	16%	0.164	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	137.8	166.2	58.3	0	0	0	0	109.9	V143 E145 Y188	V143-V196 HydrophobicContact CG1-CB 4.28Å; V143-V196 HydrophobicContact CG1-CG2 4.48Å; V143-V196 CarbonylContact O-C 3.6Å; V143-V196 VanDerWaalsContact O-CA 3.25Å; V143-V196 WeakPolarHBondContact O-CA 3.33Å; E145-V196 HydrophobicContact CB-CG2 3.88Å; Y188-V196 HydrophobicContact CD1-CB 4.49Å; Y188-V196 HydrophobicContact CD1-CG1 3.65Å; Y188-V196 HydrophobicContact CD2-CG1 4.32Å; Y188-V196 HydrophobicContact CE1-CG1 4.26Å; Y188-V196 HydrophobicContact CG-CB 4.05Å; Y188-V196 HydrophobicContact CG-CG1 3.67Å
197	V	98.8	Very high	98.4	Very high	22 Å²	22	46.7 Å²	46.7	13%	0.133	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	166.6	-175.3	-56.8	0	0	0	0	111.1	I142 V143 E144 E145 T201 A202 Q205	I142-V197 HydrophobicContact CG2-CG1 3.73Å; I142-V197 HydrophobicContact CG2-CG2 3.97Å; V143-V197 PolarHBondContact O-N 3.46Å; E144-V197 CarbonylContact C-O 3.3Å; E144-V197 WeakPolarHBondContact CA-O 3.5Å; E144-V197 HydrophobicContact CG-CG2 4.32Å; E145-V197 PolarHBondContact N-O 3.31Å; V197-T201 WeakPolarHBondContact CB-OG1 3.4Å; V197-T201 WeakPolarHBondContact CG2-OG1 3.45Å; V197-A202 HydrophobicContact CG2-CB 4.13Å; V197-Q205 HydrophobicContact CB-CG 4.32Å; V197-Q205 HydrophobicContact CG1-CB 4.08Å; V197-Q205 HydrophobicContact CG1-CG 3.88Å
198	S	98.5	Very high	98.4	Very high	80 Å²	80	50.5 Å²	50.5	56%	0.559	30%	0.298	S	S	*	.			trans	-65.1	149.7	176.4	-54	0	0	0	0	111.9	T201	S198-T201 WeakPolarHBondContact O-CB 3.44Å; S198-T201 PolarHBondContact O-N 3.27Å; S198-T201 VanDerWaalsContact O-N 3.15Å; S198-T201 PolarHBondContact O-OG1 3.47Å
199	T	97.9	Very high	98.4	Very high	86 Å²	86	46.5 Å²	46.5	53%	0.528	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	137.9	176.1	-50.4	0	0	0	0	111.9	E144 T146 T201	E144-T199 WeakPolarHBondContact OE2-CA 3.45Å; T146-T199 PolarHBondContact OG1-OG1 3.2Å; T199-T201 VanDerWaalsContact C-N 3.32Å; T199-T201 PolarHBondContact O-N 2.84Å
200	G	97.9	Very high	98.5	Very high	67 Å²	67	42 Å²	42	69%	0.691	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	1.1	-176	0	0	0	0	0	115.7	E144	E144-G200 WeakPolarHBondContact OE1-CA 3.48Å; E144-G200 PolarHBondContact OE1-N 3.04Å; E144-G200 PolarHBondContact OE2-N 3.24Å
201	T	98.4	Very high	98.5	Very high	53 Å²	53	46 Å²	46	33%	0.325	27%	0.274	S	S	.	.			trans	-112.9	-5	-173.5	74	0	0	0	0	115.2	E144 V197 S198 T199 L203 G204 Q205	E144-T201 PolarHBondContact OE1-N 3.42Å; V197-T201 WeakPolarHBondContact CB-OG1 3.4Å; V197-T201 WeakPolarHBondContact CG2-OG1 3.45Å; S198-T201 WeakPolarHBondContact O-CB 3.44Å; S198-T201 PolarHBondContact O-N 3.27Å; S198-T201 VanDerWaalsContact O-N 3.15Å; S198-T201 PolarHBondContact O-OG1 3.47Å; T199-T201 VanDerWaalsContact C-N 3.32Å; T199-T201 PolarHBondContact O-N 2.84Å; T201-L203 PolarHBondContact O-N 2.74Å; T201-G204 PolarHBondContact O-N 3.28Å; T201-Q205 WeakPolarHBondContact O-CG 3.3Å; T201-Q205 PolarHBondContact O-N 3.1Å
202	A	98.7	Very high	98.5	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-57.4	-45.6	-174.2	0	0	0	0	0	113.5	A122 E144 V197 G204 Q205 A206	A122-A202 HydrophobicContact CB-CB 4.22Å; E144-A202 HydrophobicContact CG-CB 3.55Å; E144-A202 PolarHBondContact OE1-N 3.34Å; V197-A202 HydrophobicContact CG2-CB 4.13Å; A202-G204 PolarHBondContact O-N 3.46Å; A202-Q205 PolarHBondContact O-N 2.85Å; A202-A206 VanDerWaalsContact O-CB 3.29Å; A202-A206 WeakPolarHBondContact O-CB 3.46Å; A202-A206 PolarHBondContact O-N 2.9Å
203	L	98.7	Very high	98.5	Very high	55 Å²	55	48.8 Å²	48.8	29%	0.288	28%	0.282	S	S	.	.	H	α-helix	trans	-61.5	-46.8	179.3	175.9	60.7	0	0	0	112	L39 V76 Y78 T201 Q205 A206 L207	L39-L203 HydrophobicContact CD2-CD1 4.13Å; V76-L203 HydrophobicContact CG1-CD1 3.95Å; Y78-L203 HydrophobicContact CD1-CD1 3.77Å; Y78-L203 HydrophobicContact CD2-CD1 4.14Å; Y78-L203 HydrophobicContact CD2-CD2 3.92Å; Y78-L203 HydrophobicContact CD2-CG 4.44Å; Y78-L203 HydrophobicContact CE1-CD1 4Å; Y78-L203 HydrophobicContact CE1-CD2 4.36Å; Y78-L203 HydrophobicContact CE2-CD1 4.37Å; Y78-L203 HydrophobicContact CE2-CD2 3.58Å; Y78-L203 HydrophobicContact CG-CD1 3.83Å; Y78-L203 HydrophobicContact CG-CD2 4.45Å; T201-L203 PolarHBondContact O-N 2.74Å; L203-Q205 VanDerWaalsContact C-N 3.34Å; L203-Q205 PolarHBondContact O-N 3.08Å; L203-A206 PolarHBondContact O-N 3.35Å; L203-L207 WeakPolarHBondContact O-CB 3.46Å; L203-L207 PolarHBondContact O-N 2.92Å
204	G	98.5	Very high	98.5	Very high	37 Å²	37	49.1 Å²	49.1	38%	0.381	28%	0.284	S	S	.	.	H	α-helix	trans	-62.7	-42	-179.9	0	0	0	0	0	112	T201 A202 L207 N208	T201-G204 PolarHBondContact O-N 3.28Å; A202-G204 PolarHBondContact O-N 3.46Å; G204-L207 PolarHBondContact O-N 2.89Å; G204-N208 VanDerWaalsContact O-CG 3.31Å; G204-N208 PolarHBondContact O-N 3.04Å; G204-N208 PolarHBondContact O-ND2 3.38Å
205	Q	98.8	Very high	98.3	Very high	78 Å²	78	47.7 Å²	47.7	36%	0.364	28%	0.282	S	S	.	.	H	α-helix	trans	-68.6	-36.5	177.2	-65.9	-63.6	-27.1	0	0	112.2	I142 V197 T201 A202 L203 N208 L209	I142-Q205 HydrophobicContact CD1-CB 4.3Å; I142-Q205 HydrophobicContact CG2-CB 4.16Å; V197-Q205 HydrophobicContact CB-CG 4.32Å; V197-Q205 HydrophobicContact CG1-CB 4.08Å; V197-Q205 HydrophobicContact CG1-CG 3.88Å; T201-Q205 WeakPolarHBondContact O-CG 3.3Å; T201-Q205 PolarHBondContact O-N 3.1Å; A202-Q205 PolarHBondContact O-N 2.85Å; L203-Q205 VanDerWaalsContact C-N 3.34Å; L203-Q205 PolarHBondContact O-N 3.08Å; Q205-N208 PolarHBondContact O-N 2.94Å; Q205-L209 PolarHBondContact O-N 3.45Å
206	A	98.8	Very high	98.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.1	-41.3	175.1	0	0	0	0	0	112.1	V76 I120 A122 I142 A202 L203 N208 L209 A210	V76-A206 HydrophobicContact CG1-CB 3.65Å; V76-A206 HydrophobicContact CG2-CB 4.27Å; I120-A206 HydrophobicContact CG2-CB 3.97Å; A122-A206 HydrophobicContact CB-CB 3.7Å; I142-A206 HydrophobicContact CD1-CB 4.02Å; A202-A206 VanDerWaalsContact O-CB 3.29Å; A202-A206 WeakPolarHBondContact O-CB 3.46Å; A202-A206 PolarHBondContact O-N 2.9Å; L203-A206 PolarHBondContact O-N 3.35Å; A206-N208 VanDerWaalsContact C-N 3.34Å; A206-N208 PolarHBondContact O-N 2.7Å; A206-L209 PolarHBondContact O-N 3.43Å; A206-A210 VanDerWaalsContact O-CB 3.3Å; A206-A210 WeakPolarHBondContact O-CB 3.38Å; A206-A210 PolarHBondContact O-N 2.9Å
207	L	98.6	Very high	97.8	Very high	21 Å²	21	48.5 Å²	48.5	11%	0.11	30%	0.297	C	S	.	.	H	α-helix	trans	-62.3	-41.2	174.2	178	57.9	0	0	0	111.8	I34 V37 L39 L203 G204 A210 R211	I34-L207 HydrophobicContact CD1-CD2 3.99Å; V37-L207 HydrophobicContact CB-CD1 4.16Å; V37-L207 HydrophobicContact CG1-CD1 3.87Å; V37-L207 HydrophobicContact CG2-CD1 4.44Å; L39-L207 HydrophobicContact CD2-CD1 4.26Å; L203-L207 WeakPolarHBondContact O-CB 3.46Å; L203-L207 PolarHBondContact O-N 2.92Å; G204-L207 PolarHBondContact O-N 2.89Å; L207-A210 PolarHBondContact O-N 3.43Å; L207-R211 WeakPolarHBondContact O-CG 3.35Å; L207-R211 PolarHBondContact O-N 3.4Å
208	N	98.5	Very high	97.5	Very high	79 Å²	79	48.8 Å²	48.8	42%	0.422	30%	0.297	S	S	.	.	H	α-helix	trans	-62.5	-44.5	175.5	-73.7	-19.1	0	0	0	111.8	G204 Q205 A206 R211 V212	G204-N208 VanDerWaalsContact O-CG 3.31Å; G204-N208 PolarHBondContact O-N 3.04Å; G204-N208 PolarHBondContact O-ND2 3.38Å; Q205-N208 PolarHBondContact O-N 2.94Å; A206-N208 VanDerWaalsContact C-N 3.34Å; A206-N208 PolarHBondContact O-N 2.7Å; N208-R211 PolarHBondContact O-N 2.88Å; N208-R211 PolarHBondContact OD1-NH1 3.26Å; N208-V212 PolarHBondContact O-N 2.89Å
209	L	98.7	Very high	97.2	Very high	21 Å²	21	48.9 Å²	48.9	11%	0.11	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-42.2	174.9	-178.3	56.5	0	0	0	111.8	I120 L140 I142 Q205 A206 R211 V212 I213	I120-L209 HydrophobicContact CD1-CB 4.15Å; I120-L209 HydrophobicContact CD1-CD2 4.15Å; I120-L209 HydrophobicContact CD1-CG 3.96Å; L140-L209 HydrophobicContact CD1-CD2 4.08Å; I142-L209 HydrophobicContact CD1-CB 4.24Å; I142-L209 HydrophobicContact CD1-CD2 3.93Å; I142-L209 HydrophobicContact CG1-CD2 4.46Å; Q205-L209 PolarHBondContact O-N 3.45Å; A206-L209 PolarHBondContact O-N 3.43Å; L209-R211 VanDerWaalsContact C-N 3.31Å; L209-R211 PolarHBondContact O-N 2.81Å; L209-V212 WeakPolarHBondContact O-CB 3.26Å; L209-V212 PolarHBondContact O-N 3.06Å; L209-I213 HydrophobicContact CD1-CD1 4.14Å; L209-I213 HydrophobicContact CD1-CG1 4.3Å; L209-I213 HydrophobicContact CG-CD1 3.89Å; L209-I213 HydrophobicContact CG-CG1 4.48Å; L209-I213 WeakPolarHBondContact O-CG1 3.25Å; L209-I213 PolarHBondContact O-N 3.38Å
210	A	98.7	Very high	96.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.7	-39	178.1	0	0	0	0	0	112.3	V37 V74 V76 I120 A206 L207 I213 S214	V37-A210 HydrophobicContact CB-CB 4.39Å; V37-A210 HydrophobicContact CG1-CB 3.66Å; V37-A210 HydrophobicContact CG2-CB 3.74Å; V74-A210 HydrophobicContact CB-CB 4.17Å; V74-A210 HydrophobicContact CG1-CB 3.68Å; V76-A210 HydrophobicContact CG2-CB 3.76Å; I120-A210 HydrophobicContact CD1-CB 3.9Å; A206-A210 VanDerWaalsContact O-CB 3.3Å; A206-A210 WeakPolarHBondContact O-CB 3.38Å; A206-A210 PolarHBondContact O-N 2.9Å; L207-A210 PolarHBondContact O-N 3.43Å; A210-I213 PolarHBondContact O-N 3.48Å; A210-S214 VanDerWaalsContact O-CB 3.32Å; A210-S214 WeakPolarHBondContact O-CB 3.42Å; A210-S214 PolarHBondContact O-N 3.38Å; A210-S214 PolarHBondContact O-OG 3.4Å
211	R	98.4	Very high	96.7	Very high	115 Å²	115	45.6 Å²	45.6	43%	0.434	26%	0.257	S	S	.	.	H	α-helix	trans	-60.8	-46.3	174	-75	174	178.6	142.3	-3.2	111.8	V37 L207 N208 L209 I213 S214 A215	V37-R211 HydrophobicContact CG2-CG 4.38Å; L207-R211 WeakPolarHBondContact O-CG 3.35Å; L207-R211 PolarHBondContact O-N 3.4Å; N208-R211 PolarHBondContact O-N 2.88Å; N208-R211 PolarHBondContact OD1-NH1 3.26Å; L209-R211 VanDerWaalsContact C-N 3.31Å; L209-R211 PolarHBondContact O-N 2.81Å; R211-I213 PolarHBondContact O-N 3.23Å; R211-S214 PolarHBondContact O-N 2.94Å; R211-S214 PolarHBondContact O-OG 3.39Å; R211-A215 PolarHBondContact O-N 3.37Å
212	V	98.1	Very high	96.5	Very high	79 Å²	79	45.1 Å²	45.1	48%	0.479	25%	0.251	S	S	.	.	H	α-helix	trans	-58.9	-48	176.1	174.9	0	0	0	0	110.7	N208 L209 S214 A215 M216	N208-V212 PolarHBondContact O-N 2.89Å; L209-V212 WeakPolarHBondContact O-CB 3.26Å; L209-V212 PolarHBondContact O-N 3.06Å; V212-S214 VanDerWaalsContact C-N 3.32Å; V212-S214 PolarHBondContact O-N 3.21Å; V212-A215 PolarHBondContact O-N 2.98Å; V212-M216 HydrophobicContact CG1-CE 3.74Å
213	I	98.2	Very high	96.3	Very high	19 Å²	19	45.2 Å²	45.2	10%	0.097	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-39.3	179.5	-66.2	171.2	0	0	0	111.1	V74 P118 I120 L140 L209 A210 R211 A215 M216 Q218 L221	V74-I213 HydrophobicContact CG2-CB 3.87Å; V74-I213 HydrophobicContact CG2-CG2 3.44Å; V74-I213 VanDerWaalsContact CG2-CG2 3.44Å; P118-I213 HydrophobicContact CB-CG2 4.22Å; P118-I213 HydrophobicContact CG-CG2 3.98Å; I120-I213 HydrophobicContact CD1-CD1 4.01Å; L140-I213 HydrophobicContact CD1-CD1 3.75Å; L209-I213 HydrophobicContact CD1-CD1 4.14Å; L209-I213 HydrophobicContact CD1-CG1 4.3Å; L209-I213 HydrophobicContact CG-CD1 3.89Å; L209-I213 HydrophobicContact CG-CG1 4.48Å; L209-I213 WeakPolarHBondContact O-CG1 3.25Å; L209-I213 PolarHBondContact O-N 3.38Å; A210-I213 PolarHBondContact O-N 3.48Å; R211-I213 PolarHBondContact O-N 3.23Å; I213-A215 PolarHBondContact O-N 2.97Å; I213-M216 WeakPolarHBondContact O-CB 3.4Å; I213-M216 PolarHBondContact O-N 3.12Å; I213-M216 VanDerWaalsContact O-N 3.08Å; I213-Q218 PolarHBondContact O-NE2 2.95Å; I213-L221 HydrophobicContact CG2-CD1 3.8Å
214	S	97.7	Very high	96.2	Very high	11 Å²	11	47 Å²	47	8%	0.077	26%	0.261	C	S	.	.	H	α-helix	trans	-66.3	-20.3	-179.7	76.4	0	0	0	0	114.1	K73 A210 R211 V212 Q218	K73-S214 WeakPolarHBondContact CD-O 3.13Å; K73-S214 PolarHBondContact NZ-O 2.82Å; A210-S214 VanDerWaalsContact O-CB 3.32Å; A210-S214 WeakPolarHBondContact O-CB 3.42Å; A210-S214 PolarHBondContact O-N 3.38Å; A210-S214 PolarHBondContact O-OG 3.4Å; R211-S214 PolarHBondContact O-N 2.94Å; R211-S214 PolarHBondContact O-OG 3.39Å; V212-S214 VanDerWaalsContact C-N 3.32Å; V212-S214 PolarHBondContact O-N 3.21Å; S214-Q218 PolarHBondContact O-NE2 3.37Å
215	A	95.9	Very high	96.1	Very high	40 Å²	40	46.6 Å²	46.6	33%	0.331	25%	0.248	S	C	.	.	H	α-helix	trans	-87.4	-15.3	175.5	0	0	0	0	0	112.9	R211 V212 I213 M276	R211-A215 PolarHBondContact O-N 3.37Å; V212-A215 PolarHBondContact O-N 2.98Å; I213-A215 PolarHBondContact O-N 2.97Å; A215-M276 HydrophobicContact CB-CB 4.25Å; A215-M276 HydrophobicContact CB-CE 3.82Å; A215-M276 HydrophobicContact CB-CG 4.33Å; A215-M276 HydrophobicContact CB-SD 3.86Å
216	M	93.7	Very high	96	Very high	70 Å²	70	45.5 Å²	45.5	35%	0.345	25%	0.248	S	C	.	.	S	Bend	trans	-66.8	157.8	178.1	-64.6	-63.5	150.9	0	0	111.9	V212 I213 Q218 L221 M276	V212-M216 HydrophobicContact CG1-CE 3.74Å; I213-M216 WeakPolarHBondContact O-CB 3.4Å; I213-M216 PolarHBondContact O-N 3.12Å; I213-M216 VanDerWaalsContact O-N 3.08Å; M216-Q218 PolarHBondContact O-N 2.99Å; M216-Q218 PolarHBondContact O-NE2 2.72Å; M216-L221 HydrophobicContact CB-CD1 3.99Å; M216-L221 HydrophobicContact CG-CD1 4.4Å; M216-M276 HydrophobicContact CE-CE 3.29Å; M216-M276 HydrophobicContact SD-CE 3.68Å
217	P	91.7	Very high	95.9	Very high	85 Å²	85	45.8 Å²	45.8	55%	0.552	25%	0.25	S	S	*	.			trans	-58.4	101.3	170.3	-22.1	33.9	0	0	0	110.7	D219 S220 L221	P217-D219 VanDerWaalsContact C-N 3.34Å; P217-D219 PolarHBondContact O-N 3.31Å; P217-S220 PolarHBondContact O-N 3.26Å; P217-L221 WeakPolarHBondContact O-CB 3.24Å; P217-L221 PolarHBondContact O-N 3.06Å
218	Q	93.1	Very high	95.8	Very high	27 Å²	27	50.5 Å²	50.5	13%	0.126	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-38.8	-167	-66.1	-59.7	-69.3	0	0	112.7	K73 I213 S214 M216 L221 K222	K73-Q218 HydrophobicContact CD-CG 3.82Å; K73-Q218 HydrophobicContact CG-CG 4.2Å; I213-Q218 PolarHBondContact O-NE2 2.95Å; S214-Q218 PolarHBondContact O-NE2 3.37Å; M216-Q218 PolarHBondContact O-N 2.99Å; M216-Q218 PolarHBondContact O-NE2 2.72Å; Q218-L221 PolarHBondContact O-N 3.09Å; Q218-K222 WeakPolarHBondContact O-CB 2.9Å; Q218-K222 WeakPolarHBondContact O-CG 3.47Å; Q218-K222 PolarHBondContact O-N 2.9Å
219	D	91.4	Very high	95.7	Very high	83 Å²	83	50 Å²	50	44%	0.444	27%	0.268	S	S	.	.	H	α-helix	trans	-61.3	-49.2	-179.9	-67.7	-14.7	0	0	0	111.7	P217 K222 A223 F252	P217-D219 VanDerWaalsContact C-N 3.34Å; P217-D219 PolarHBondContact O-N 3.31Å; D219-K222 PolarHBondContact O-N 2.72Å; D219-A223 WeakPolarHBondContact O-CB 3.41Å; D219-A223 PolarHBondContact O-N 3.1Å; D219-F252 HydrophobicContact CB-CD1 3.67Å; D219-F252 HydrophobicContact CB-CE1 4.16Å; D219-F252 HydrophobicContact CB-CG 4.38Å
220	S	91.5	Very high	95.6	Very high	40 Å²	40	51.2 Å²	51.2	28%	0.28	27%	0.271	S	S	.	.	H	α-helix	trans	-61.9	-46	177	-54.7	0	0	0	0	111.5	P217 K222 A223 D224	P217-S220 PolarHBondContact O-N 3.26Å; S220-K222 VanDerWaalsContact C-N 3.33Å; S220-K222 PolarHBondContact O-N 3.06Å; S220-A223 WeakPolarHBondContact O-CB 3.27Å; S220-A223 PolarHBondContact O-N 3.33Å; S220-D224 PolarHBondContact O-N 3.45Å
221	L	94.5	Very high	95.5	Very high	43 Å²	43	54.3 Å²	54.3	23%	0.225	29%	0.293	C	S	.	.	H	α-helix	trans	-60.8	-43.2	179.9	-175.9	151.4	0	0	0	112.1	P118 I213 M216 P217 Q218 D224 R225	P118-L221 HydrophobicContact CG-CD2 3.28Å; I213-L221 HydrophobicContact CG2-CD1 3.8Å; M216-L221 HydrophobicContact CB-CD1 3.99Å; M216-L221 HydrophobicContact CG-CD1 4.4Å; P217-L221 WeakPolarHBondContact O-CB 3.24Å; P217-L221 PolarHBondContact O-N 3.06Å; Q218-L221 PolarHBondContact O-N 3.09Å; L221-D224 PolarHBondContact O-N 3.43Å; L221-R225 VanDerWaalsContact O-CB 3.3Å; L221-R225 WeakPolarHBondContact O-CB 3.4Å; L221-R225 PolarHBondContact O-N 2.83Å
222	K	94.9	Very high	95.4	Very high	44 Å²	44	51.8 Å²	51.8	19%	0.191	29%	0.29	C	S	.	.	H	α-helix	trans	-67	-38	178.5	-71.8	173.5	169.7	-158.8	0	111.8	D116 Q218 D219 S220 C226	D116-K222 WeakPolarHBondContact O-CG 3.46Å; D116-K222 IonicContact OD1-NZ 2.69Å; D116-K222 WeakPolarHBondContact OD2-CD 3.07Å; D116-K222 WeakPolarHBondContact OD2-CE 3.49Å; D116-K222 IonicContact OD2-NZ 3.92Å; D116-K222 PolarHBondContact OD2-NZ 3.31Å; Q218-K222 WeakPolarHBondContact O-CB 2.9Å; Q218-K222 WeakPolarHBondContact O-CG 3.47Å; Q218-K222 PolarHBondContact O-N 2.9Å; D219-K222 PolarHBondContact O-N 2.72Å; S220-K222 VanDerWaalsContact C-N 3.33Å; S220-K222 PolarHBondContact O-N 3.06Å; K222-C226 WeakPolarHBondContact O-CB 3.47Å; K222-C226 PolarHBondContact O-N 3.42Å
223	A	94.6	Very high	95.2	Very high	3 Å²	3	51.7 Å²	51.7	3%	0.025	28%	0.283	C	S	.	.	H	α-helix	trans	-60	-53.1	174.1	0	0	0	0	0	110.5	D219 S220 R225 C226 S227 N248 F252	D219-A223 WeakPolarHBondContact O-CB 3.41Å; D219-A223 PolarHBondContact O-N 3.1Å; S220-A223 WeakPolarHBondContact O-CB 3.27Å; S220-A223 PolarHBondContact O-N 3.33Å; A223-R225 VanDerWaalsContact C-N 3.33Å; A223-R225 PolarHBondContact O-N 3.06Å; A223-C226 WeakPolarHBondContact O-CB 3.33Å; A223-C226 PolarHBondContact O-N 3.2Å; A223-C226 VanDerWaalsContact O-N 3.12Å; A223-S227 PolarHBondContact O-N 3Å; A223-S227 PolarHBondContact O-OG 3.39Å; A223-N248 WeakPolarHBondContact CA-ND2 3.47Å; A223-N248 PolarHBondContact O-ND2 3.33Å; A223-F252 HydrophobicContact CB-CD2 3.54Å; A223-F252 HydrophobicContact CB-CE2 3.7Å; A223-F252 HydrophobicContact CB-CG 4.41Å
224	D	96	Very high	95.1	Very high	91 Å²	91	58.2 Å²	58.2	49%	0.487	31%	0.311	S	S	.	.	H	α-helix	trans	-60.8	-43.2	-180	-65.5	-16.1	0	0	0	111.6	S220 L221 C226 S227 L228	S220-D224 PolarHBondContact O-N 3.45Å; L221-D224 PolarHBondContact O-N 3.43Å; D224-C226 VanDerWaalsContact C-N 3.34Å; D224-C226 PolarHBondContact O-N 3.44Å; D224-S227 PolarHBondContact O-N 2.87Å; D224-L228 WeakPolarHBondContact O-CG 3.3Å; D224-L228 PolarHBondContact O-N 3Å
225	R	96.5	Very high	95.1	Very high	30 Å²	30	59 Å²	59	11%	0.113	32%	0.318	C	S	.	.	H	α-helix	trans	-56.6	-47.5	174.3	-179.9	-178	176.5	-85.2	-9.7	111.6	I115 D116 D139 L221 A223 S227 L228 Y229	I115-R225 PolarHBondContact O-NH1 3.49Å; D116-R225 PolarHBondContact O-NH1 3.37Å; D139-R225 IonicContact OD1-CZ 3.84Å; D139-R225 VanDerWaalsContact OD1-CZ 3.23Å; D139-R225 IonicContact OD1-NE 3.4Å; D139-R225 PolarHBondContact OD1-NE 3.36Å; D139-R225 IonicContact OD1-NH2 3.65Å; D139-R225 PolarHBondContact OD1-NH2 2.95Å; D139-R225 IonicContact OD2-CZ 2.68Å; D139-R225 IonicContact OD2-NE 3.23Å; D139-R225 PolarHBondContact OD2-NE 3.23Å; D139-R225 VanDerWaalsContact OD2-NE 3.07Å; D139-R225 IonicContact OD2-NH2 2.65Å; D139-R225 PolarHBondContact OD2-NH2 2.83Å; L221-R225 VanDerWaalsContact O-CB 3.3Å; L221-R225 WeakPolarHBondContact O-CB 3.4Å; L221-R225 PolarHBondContact O-N 2.83Å; A223-R225 VanDerWaalsContact C-N 3.33Å; A223-R225 PolarHBondContact O-N 3.06Å; R225-S227 VanDerWaalsContact C-N 3.35Å; R225-S227 PolarHBondContact O-N 3.28Å; R225-L228 PolarHBondContact O-N 2.84Å; R225-Y229 HydrophobicContact CG-CD2 4.12Å; R225-Y229 HydrophobicContact CG-CE2 4.03Å; R225-Y229 WeakPolarHBondContact O-CD2 3.34Å; R225-Y229 PolarHBondContact O-N 3.19Å; R225-Y229 VanDerWaalsContact O-N 3.17Å
226	C	95.5	Very high	95.1	Very high	54 Å²	54	61.8 Å²	61.8	37%	0.365	34%	0.335	S	S	.	.	H	α-helix	trans	-60.3	-44.9	178.1	-172.1	0	0	0	0	111.4	K222 A223 D224 L228 Y229 Y230	K222-C226 WeakPolarHBondContact O-CB 3.47Å; K222-C226 PolarHBondContact O-N 3.42Å; A223-C226 WeakPolarHBondContact O-CB 3.33Å; A223-C226 PolarHBondContact O-N 3.2Å; A223-C226 VanDerWaalsContact O-N 3.12Å; D224-C226 VanDerWaalsContact C-N 3.34Å; D224-C226 PolarHBondContact O-N 3.44Å; C226-L228 PolarHBondContact O-N 3.23Å; C226-Y229 PolarHBondContact O-N 3.08Å; C226-Y230 WeakPolarHBondContact O-CB 3.41Å; C226-Y230 PolarHBondContact O-N 3.38Å
227	S	97.3	Very high	95.3	Very high	6 Å²	6	61.7 Å²	61.7	4%	0.042	34%	0.339	C	S	.	.	H	α-helix	trans	-62.7	-39.4	177.4	-65.9	0	0	0	0	112.7	A223 D224 R225 Y230 S231 N248	A223-S227 PolarHBondContact O-N 3Å; A223-S227 PolarHBondContact O-OG 3.39Å; D224-S227 PolarHBondContact O-N 2.87Å; R225-S227 VanDerWaalsContact C-N 3.35Å; R225-S227 PolarHBondContact O-N 3.28Å; S227-Y230 PolarHBondContact O-N 3.22Å; S227-S231 WeakPolarHBondContact O-CB 3.32Å; S227-S231 PolarHBondContact O-N 2.92Å; S227-N248 PolarHBondContact OG-ND2 3.28Å; S227-N248 VanDerWaalsContact OG-ND2 3.1Å
228	L	97.1	Very high	95.6	Very high	121 Å²	121	62.1 Å²	62.1	63%	0.634	34%	0.339	S	S	*	.	H	α-helix	trans	-60.4	-48.1	174.6	-73.7	169.8	0	0	0	111.9	D224 R225 C226 Y230 S231 V232	D224-L228 WeakPolarHBondContact O-CG 3.3Å; D224-L228 PolarHBondContact O-N 3Å; R225-L228 PolarHBondContact O-N 2.84Å; C226-L228 PolarHBondContact O-N 3.23Å; L228-Y230 PolarHBondContact O-N 2.9Å; L228-S231 PolarHBondContact O-N 2.82Å; L228-V232 WeakPolarHBondContact O-CG2 3.34Å; L228-V232 PolarHBondContact O-N 2.74Å; L228-V232 VanDerWaalsContact O-N 3.14Å
229	Y	95.5	Very high	95.9	Very high	68 Å²	68	67.2 Å²	67.2	27%	0.267	36%	0.363	S	S	.	.	H	α-helix	trans	-64	-41	177.2	-84.4	-72.9	0	0	0	112.5	D139 R225 C226 V232 F233	D139-Y229 WeakPolarHBondContact OD1-CE2 3.43Å; D139-Y229 PolarHBondContact OD1-OH 3.41Å; R225-Y229 HydrophobicContact CG-CD2 4.12Å; R225-Y229 HydrophobicContact CG-CE2 4.03Å; R225-Y229 WeakPolarHBondContact O-CD2 3.34Å; R225-Y229 PolarHBondContact O-N 3.19Å; R225-Y229 VanDerWaalsContact O-N 3.17Å; C226-Y229 PolarHBondContact O-N 3.08Å; Y229-V232 PolarHBondContact O-N 2.73Å; Y229-F233 AromaticContact CD1-CD2 3.82Å; Y229-F233 HydrophobicContact CD1-CD2 3.82Å; Y229-F233 AromaticContact CD1-CE2 3.79Å; Y229-F233 HydrophobicContact CD1-CE2 3.79Å; Y229-F233 HydrophobicContact CE1-CE2 4.13Å; Y229-F233 PolarHBondContact O-N 3.37Å; Y229-F233 VanDerWaalsContact O-N 3.07Å
230	Y	96.6	Very high	96.2	Very high	47 Å²	47	65.2 Å²	65.2	18%	0.184	35%	0.353	C	S	.	.	H	α-helix	trans	-61	-49.8	177.2	-174.2	-87.7	0	0	0	111.2	C226 S227 L228 V232 F233 K234 A235 D240 F244	C226-Y230 WeakPolarHBondContact O-CB 3.41Å; C226-Y230 PolarHBondContact O-N 3.38Å; S227-Y230 PolarHBondContact O-N 3.22Å; L228-Y230 PolarHBondContact O-N 2.9Å; Y230-V232 VanDerWaalsContact C-N 3.31Å; Y230-V232 PolarHBondContact O-N 3.04Å; Y230-F233 PolarHBondContact O-N 2.87Å; Y230-K234 HydrophobicContact CD2-CB 3.78Å; Y230-K234 HydrophobicContact CD2-CD 3.92Å; Y230-K234 HydrophobicContact CD2-CG 4.44Å; Y230-K234 HydrophobicContact CE2-CB 3.93Å; Y230-K234 HydrophobicContact CE2-CD 4.41Å; Y230-K234 HydrophobicContact CG-CB 4.21Å; Y230-K234 CarbonylContact O-C 3.55Å; Y230-K234 WeakPolarHBondContact O-CA 3.37Å; Y230-K234 WeakPolarHBondContact O-CB 3.27Å; Y230-K234 PolarHBondContact O-N 3.29Å; Y230-A235 HydrophobicContact CD1-CB 3.99Å; Y230-A235 HydrophobicContact CE1-CB 3.8Å; Y230-A235 PolarHBondContact O-N 2.94Å; Y230-D240 PolarHBondContact OH-OD1 3.35Å; Y230-F244 VanDerWaalsContact CB-CE1 3.46Å; Y230-F244 HydrophobicContact CD1-CB 3.52Å; Y230-F244 AromaticContact CD1-CD1 3.56Å; Y230-F244 HydrophobicContact CD1-CD1 3.56Å; Y230-F244 HydrophobicContact CD1-CD2 4.04Å; Y230-F244 HydrophobicContact CD1-CE1 4.3Å; Y230-F244 AromaticContact CD1-CG 3.41Å; Y230-F244 HydrophobicContact CD1-CG 3.41Å; Y230-F244 VanDerWaalsContact CD1-CG 3.41Å; Y230-F244 AromaticContact CD2-CD1 3.99Å; Y230-F244 HydrophobicContact CD2-CD1 3.99Å; Y230-F244 AromaticContact CD2-CD2 3.56Å; Y230-F244 HydrophobicContact CD2-CD2 3.56Å; Y230-F244 HydrophobicContact CD2-CE1 4.02Å; Y230-F244 AromaticContact CD2-CE2 3.57Å; Y230-F244 HydrophobicContact CD2-CE2 3.57Å; Y230-F244 AromaticContact CD2-CG 3.77Å; Y230-F244 HydrophobicContact CD2-CG 3.77Å; Y230-F244 AromaticContact CD2-CZ 3.81Å; Y230-F244 HydrophobicContact CD2-CZ 3.81Å; Y230-F244 HydrophobicContact CE1-CB 3.37Å; Y230-F244 HydrophobicContact CE1-CD1 4.25Å; Y230-F244 HydrophobicContact CE1-CD2 4.01Å; Y230-F244 AromaticContact CE1-CG 3.61Å; Y230-F244 HydrophobicContact CE1-CG 3.61Å; Y230-F244 HydrophobicContact CE2-CB 4.47Å; Y230-F244 AromaticContact CE2-CD2 3.53Å; Y230-F244 HydrophobicContact CE2-CD2 3.53Å; Y230-F244 AromaticContact CE2-CE2 3.86Å; Y230-F244 HydrophobicContact CE2-CE2 3.86Å; Y230-F244 AromaticContact CE2-CG 3.96Å; Y230-F244 HydrophobicContact CE2-CG 3.96Å; Y230-F244 HydrophobicContact CG-CB 4.15Å; Y230-F244 AromaticContact CG-CD1 3.41Å; Y230-F244 HydrophobicContact CG-CD1 3.41Å; Y230-F244 VanDerWaalsContact CG-CD1 3.41Å; Y230-F244 AromaticContact CG-CD2 3.82Å; Y230-F244 HydrophobicContact CG-CD2 3.82Å; Y230-F244 AromaticContact CG-CE1 3.67Å; Y230-F244 HydrophobicContact CG-CE1 3.67Å; Y230-F244 HydrophobicContact CG-CE2 4.04Å; Y230-F244 AromaticContact CG-CG 3.49Å; Y230-F244 HydrophobicContact CG-CG 3.49Å; Y230-F244 VanDerWaalsContact CG-CG 3.49Å; Y230-F244 AromaticContact CG-CZ 3.97Å; Y230-F244 HydrophobicContact CG-CZ 3.97Å; Y230-F244 AromaticContact CZ-CD2 3.76Å; Y230-F244 AromaticContact CZ-CG 3.88Å
231	S	97.5	Very high	96.5	Very high	65 Å²	65	64 Å²	64	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-56.8	-42.7	179.5	178.7	0	0	0	0	112.7	S227 L228	S227-S231 WeakPolarHBondContact O-CB 3.32Å; S227-S231 PolarHBondContact O-N 2.92Å; L228-S231 PolarHBondContact O-N 2.82Å
232	V	96.1	Very high	96.7	Very high	62 Å²	62	67.4 Å²	67.4	38%	0.376	36%	0.361	S	S	.	.	H	α-helix	trans	-79.1	-37.3	-174.6	175.5	0	0	0	0	113.1	K165 L228 Y229 Y230	K165-V232 HydrophobicContact CB-CG1 4.17Å; K165-V232 HydrophobicContact CD-CG1 4.16Å; K165-V232 HydrophobicContact CG-CG1 4.12Å; L228-V232 WeakPolarHBondContact O-CG2 3.34Å; L228-V232 PolarHBondContact O-N 2.74Å; L228-V232 VanDerWaalsContact O-N 3.14Å; Y229-V232 PolarHBondContact O-N 2.73Å; Y230-V232 VanDerWaalsContact C-N 3.31Å; Y230-V232 PolarHBondContact O-N 3.04Å
233	F	94	Very high	96.8	Very high	77 Å²	77	71.4 Å²	71.4	34%	0.338	38%	0.378	S	S	.	.	H	α-helix	trans	-118	-14.7	-166.3	-62.4	-72.7	0	0	0	115.4	V161 R162 K165 Y229 Y230	V161-F233 HydrophobicContact CG1-CD1 4.26Å; V161-F233 HydrophobicContact CG1-CE1 4.18Å; R162-F233 HydrophobicContact CG-CE1 4.17Å; R162-F233 HydrophobicContact CG-CZ 4.08Å; K165-F233 HydrophobicContact CG-CE1 4.32Å; Y229-F233 AromaticContact CD1-CD2 3.82Å; Y229-F233 HydrophobicContact CD1-CD2 3.82Å; Y229-F233 AromaticContact CD1-CE2 3.79Å; Y229-F233 HydrophobicContact CD1-CE2 3.79Å; Y229-F233 HydrophobicContact CE1-CE2 4.13Å; Y229-F233 PolarHBondContact O-N 3.37Å; Y229-F233 VanDerWaalsContact O-N 3.07Å; Y230-F233 PolarHBondContact O-N 2.87Å
234	K	95.5	Very high	97	Very high	155 Å²	155	73.6 Å²	73.6	67%	0.674	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.7	-34.4	-172.4	-61.9	-176.6	178.8	178.3	0	113.7	Y230	Y230-K234 HydrophobicContact CD2-CB 3.78Å; Y230-K234 HydrophobicContact CD2-CD 3.92Å; Y230-K234 HydrophobicContact CD2-CG 4.44Å; Y230-K234 HydrophobicContact CE2-CB 3.93Å; Y230-K234 HydrophobicContact CE2-CD 4.41Å; Y230-K234 HydrophobicContact CG-CB 4.21Å; Y230-K234 CarbonylContact O-C 3.55Å; Y230-K234 WeakPolarHBondContact O-CA 3.37Å; Y230-K234 WeakPolarHBondContact O-CB 3.27Å; Y230-K234 PolarHBondContact O-N 3.29Å
235	A	97.5	Very high	97.1	Very high	27 Å²	27	74.2 Å²	74.2	22%	0.223	39%	0.388	C	S	.	.			trans	-64.8	135.9	-176.7	0	0	0	0	0	111.6	Y230 D240 A241	Y230-A235 HydrophobicContact CD1-CB 3.99Å; Y230-A235 HydrophobicContact CE1-CB 3.8Å; Y230-A235 PolarHBondContact O-N 2.94Å; A235-D240 WeakPolarHBondContact CA-OD2 3.5Å; A235-A241 HydrophobicContact CB-CB 3.67Å
236	S	96.8	Very high	97	Very high	99 Å²	99	79.6 Å²	79.6	69%	0.692	41%	0.412	S	S	*	.	S	Bend	trans	-86.7	-31.6	178.6	56.8	0	0	0	0	112.8	D240	S236-D240 PolarHBondContact N-OD2 3.49Å; S236-D240 PolarHBondContact OG-OD2 2.95Å
237	T	98.1	Very high	97	Very high	69 Å²	69	81.6 Å²	81.6	42%	0.423	42%	0.416	S	S	.	.	S	Bend	trans	-140.3	172.9	175.6	79.9	0	0	0	0	111	E239 D240 A241	T237-E239 VanDerWaalsContact C-N 3.32Å; T237-E239 WeakPolarHBondContact CB-OE2 3.36Å; T237-E239 PolarHBondContact OG1-N 2.99Å; T237-E239 PolarHBondContact OG1-OE2 2.98Å; T237-D240 PolarHBondContact O-N 3.2Å; T237-D240 PolarHBondContact OG1-N 3.36Å; T237-D240 VanDerWaalsContact OG1-N 3.16Å; T237-A241 PolarHBondContact O-N 3.46Å; T237-A241 VanDerWaalsContact O-N 3.1Å
238	V	97.9	Very high	96.8	Very high	93 Å²	93	82.5 Å²	82.5	56%	0.564	42%	0.42	S	S	*	.	H	α-helix	trans	-65.6	-38.5	174	176.2	0	0	0	0	110.7	D240 A241 M242	V238-D240 VanDerWaalsContact C-N 3.35Å; V238-D240 PolarHBondContact O-N 2.77Å; V238-A241 PolarHBondContact O-N 3.09Å; V238-M242 HydrophobicContact CG1-CE 3.74Å; V238-M242 HydrophobicContact CG1-CG 4.34Å; V238-M242 HydrophobicContact CG1-SD 4.09Å; V238-M242 WeakPolarHBondContact O-CG 3.14Å; V238-M242 PolarHBondContact O-N 3.32Å
239	E	98.3	Very high	96.5	Very high	134 Å²	134	78.1 Å²	78.1	63%	0.626	40%	0.402	S	S	*	.	H	α-helix	trans	-64.1	-40.3	177.8	-59.4	73.6	-161.4	0	0	111.6	T237 M242 K243	T237-E239 VanDerWaalsContact C-N 3.32Å; T237-E239 WeakPolarHBondContact CB-OE2 3.36Å; T237-E239 PolarHBondContact OG1-N 2.99Å; T237-E239 PolarHBondContact OG1-OE2 2.98Å; E239-M242 PolarHBondContact O-N 3.08Å; E239-K243 VanDerWaalsContact O-CB 3.3Å; E239-K243 WeakPolarHBondContact O-CB 3.41Å; E239-K243 PolarHBondContact O-N 2.99Å
240	D	98.5	Very high	96.2	Very high	42 Å²	42	77.5 Å²	77.5	23%	0.225	41%	0.405	C	S	.	.	H	α-helix	trans	-61	-47.3	173.3	-176.3	31.8	0	0	0	111.2	Y230 A235 S236 T237 V238 M242 K243 F244	Y230-D240 PolarHBondContact OH-OD1 3.35Å; A235-D240 WeakPolarHBondContact CA-OD2 3.5Å; S236-D240 PolarHBondContact N-OD2 3.49Å; S236-D240 PolarHBondContact OG-OD2 2.95Å; T237-D240 PolarHBondContact O-N 3.2Å; T237-D240 PolarHBondContact OG1-N 3.36Å; T237-D240 VanDerWaalsContact OG1-N 3.16Å; V238-D240 VanDerWaalsContact C-N 3.35Å; V238-D240 PolarHBondContact O-N 2.77Å; D240-M242 PolarHBondContact O-N 2.89Å; D240-K243 PolarHBondContact O-N 3.35Å; D240-F244 PolarHBondContact O-N 2.89Å
241	A	98.3	Very high	95.6	Very high	14 Å²	14	82.1 Å²	82.1	12%	0.116	43%	0.428	C	S	.	.	H	α-helix	trans	-60.1	-45.5	175.6	0	0	0	0	0	112.6	A235 T237 V238 F244 E245	A235-A241 HydrophobicContact CB-CB 3.67Å; T237-A241 PolarHBondContact O-N 3.46Å; T237-A241 VanDerWaalsContact O-N 3.1Å; V238-A241 PolarHBondContact O-N 3.09Å; A241-F244 PolarHBondContact O-N 3.37Å; A241-E245 WeakPolarHBondContact O-CB 3.41Å; A241-E245 PolarHBondContact O-N 2.76Å
242	M	98.2	Very high	94.8	Very high	115 Å²	115	81.9 Å²	81.9	57%	0.567	42%	0.419	S	S	*	.	H	α-helix	trans	-66.7	-38.5	179.3	-74.1	-179.6	172.9	0	0	112.2	V238 E239 D240 E245 F246	V238-M242 HydrophobicContact CG1-CE 3.74Å; V238-M242 HydrophobicContact CG1-CG 4.34Å; V238-M242 HydrophobicContact CG1-SD 4.09Å; V238-M242 WeakPolarHBondContact O-CG 3.14Å; V238-M242 PolarHBondContact O-N 3.32Å; E239-M242 PolarHBondContact O-N 3.08Å; D240-M242 PolarHBondContact O-N 2.89Å; M242-E245 PolarHBondContact O-N 3.22Å; M242-F246 WeakPolarHBondContact O-CB 3.43Å; M242-F246 PolarHBondContact O-N 3.05Å
243	K	98.1	Very high	93.9	Very high	127 Å²	127	83.6 Å²	83.6	55%	0.552	43%	0.425	S	S	*	.	H	α-helix	trans	-62.4	-49.2	175.4	-178.9	-179	173.2	-174.1	0	110.6	E239 D240 E245 F246 E247	E239-K243 VanDerWaalsContact O-CB 3.3Å; E239-K243 WeakPolarHBondContact O-CB 3.41Å; E239-K243 PolarHBondContact O-N 2.99Å; D240-K243 PolarHBondContact O-N 3.35Å; K243-E245 VanDerWaalsContact C-N 3.32Å; K243-E245 PolarHBondContact O-N 2.74Å; K243-F246 PolarHBondContact O-N 3.03Å; K243-E247 WeakPolarHBondContact CE-OE1 3.4Å; K243-E247 IonicContact NZ-OE1 3.91Å; K243-E247 WeakPolarHBondContact O-CG 3.34Å; K243-E247 PolarHBondContact O-N 2.76Å
244	F	98	Very high	92.7	Very high	50 Å²	50	83.2 Å²	83.2	22%	0.219	43%	0.427	C	S	.	.	H	α-helix	trans	-58.6	-45.2	176	179.7	-88.7	0	0	0	111.5	Y230 D240 A241 F246 E247 N248	Y230-F244 VanDerWaalsContact CB-CE1 3.46Å; Y230-F244 HydrophobicContact CD1-CB 3.52Å; Y230-F244 AromaticContact CD1-CD1 3.56Å; Y230-F244 HydrophobicContact CD1-CD1 3.56Å; Y230-F244 HydrophobicContact CD1-CD2 4.04Å; Y230-F244 HydrophobicContact CD1-CE1 4.3Å; Y230-F244 AromaticContact CD1-CG 3.41Å; Y230-F244 HydrophobicContact CD1-CG 3.41Å; Y230-F244 VanDerWaalsContact CD1-CG 3.41Å; Y230-F244 AromaticContact CD2-CD1 3.99Å; Y230-F244 HydrophobicContact CD2-CD1 3.99Å; Y230-F244 AromaticContact CD2-CD2 3.56Å; Y230-F244 HydrophobicContact CD2-CD2 3.56Å; Y230-F244 HydrophobicContact CD2-CE1 4.02Å; Y230-F244 AromaticContact CD2-CE2 3.57Å; Y230-F244 HydrophobicContact CD2-CE2 3.57Å; Y230-F244 AromaticContact CD2-CG 3.77Å; Y230-F244 HydrophobicContact CD2-CG 3.77Å; Y230-F244 AromaticContact CD2-CZ 3.81Å; Y230-F244 HydrophobicContact CD2-CZ 3.81Å; Y230-F244 HydrophobicContact CE1-CB 3.37Å; Y230-F244 HydrophobicContact CE1-CD1 4.25Å; Y230-F244 HydrophobicContact CE1-CD2 4.01Å; Y230-F244 AromaticContact CE1-CG 3.61Å; Y230-F244 HydrophobicContact CE1-CG 3.61Å; Y230-F244 HydrophobicContact CE2-CB 4.47Å; Y230-F244 AromaticContact CE2-CD2 3.53Å; Y230-F244 HydrophobicContact CE2-CD2 3.53Å; Y230-F244 AromaticContact CE2-CE2 3.86Å; Y230-F244 HydrophobicContact CE2-CE2 3.86Å; Y230-F244 AromaticContact CE2-CG 3.96Å; Y230-F244 HydrophobicContact CE2-CG 3.96Å; Y230-F244 HydrophobicContact CG-CB 4.15Å; Y230-F244 AromaticContact CG-CD1 3.41Å; Y230-F244 HydrophobicContact CG-CD1 3.41Å; Y230-F244 VanDerWaalsContact CG-CD1 3.41Å; Y230-F244 AromaticContact CG-CD2 3.82Å; Y230-F244 HydrophobicContact CG-CD2 3.82Å; Y230-F244 AromaticContact CG-CE1 3.67Å; Y230-F244 HydrophobicContact CG-CE1 3.67Å; Y230-F244 HydrophobicContact CG-CE2 4.04Å; Y230-F244 AromaticContact CG-CG 3.49Å; Y230-F244 HydrophobicContact CG-CG 3.49Å; Y230-F244 VanDerWaalsContact CG-CG 3.49Å; Y230-F244 AromaticContact CG-CZ 3.97Å; Y230-F244 HydrophobicContact CG-CZ 3.97Å; Y230-F244 AromaticContact CZ-CD2 3.76Å; Y230-F244 AromaticContact CZ-CG 3.88Å; D240-F244 PolarHBondContact O-N 2.89Å; A241-F244 PolarHBondContact O-N 3.37Å; F244-F246 PolarHBondContact O-N 3.33Å; F244-E247 PolarHBondContact O-N 3.41Å; F244-N248 HydrophobicContact CD1-CB 4.43Å; F244-N248 HydrophobicContact CE1-CB 4.14Å; F244-N248 HydrophobicContact CZ-CB 4.48Å; F244-N248 WeakPolarHBondContact O-CB 3.2Å; F244-N248 PolarHBondContact O-N 3.45Å
245	E	97.2	Very high	91.1	Very high	104 Å²	104	84.8 Å²	84.8	49%	0.486	43%	0.434	S	S	.	.	H	α-helix	trans	-57	-49.2	178.1	179.8	-177.3	-113.8	0	0	111.8	A241 M242 K243 N248 A249	A241-E245 WeakPolarHBondContact O-CB 3.41Å; A241-E245 PolarHBondContact O-N 2.76Å; M242-E245 PolarHBondContact O-N 3.22Å; K243-E245 VanDerWaalsContact C-N 3.32Å; K243-E245 PolarHBondContact O-N 2.74Å; E245-N248 PolarHBondContact O-N 3.45Å; E245-A249 VanDerWaalsContact O-CB 3.26Å; E245-A249 WeakPolarHBondContact O-CB 3.31Å; E245-A249 PolarHBondContact O-N 2.89Å
246	F	95.8	Very high	89.8	Confident	143 Å²	143	85.1 Å²	85.1	63%	0.627	44%	0.44	S	S	*	.	H	α-helix	trans	-61.4	-48.9	179	-177.1	-92	0	0	0	112.1	M242 K243 F244 N248 T250	M242-F246 WeakPolarHBondContact O-CB 3.43Å; M242-F246 PolarHBondContact O-N 3.05Å; K243-F246 PolarHBondContact O-N 3.03Å; F244-F246 PolarHBondContact O-N 3.33Å; F246-N248 VanDerWaalsContact C-N 3.33Å; F246-N248 PolarHBondContact O-N 3.15Å; F246-T250 HydrophobicContact CD1-CG2 4.21Å; F246-T250 HydrophobicContact CD2-CG2 4.21Å; F246-T250 HydrophobicContact CE1-CG2 3.94Å; F246-T250 HydrophobicContact CE2-CG2 3.95Å; F246-T250 HydrophobicContact CG-CG2 4.34Å; F246-T250 HydrophobicContact CZ-CG2 3.81Å; F246-T250 WeakPolarHBondContact O-CB 3.25Å; F246-T250 WeakPolarHBondContact O-CG2 3.19Å; F246-T250 PolarHBondContact O-N 3.04Å; F246-T250 PolarHBondContact O-OG1 3.2Å
247	E	95.3	Very high	88.7	Confident	96 Å²	96	83.4 Å²	83.4	45%	0.449	42%	0.422	S	S	.	.	H	α-helix	trans	-64.7	-36.9	-179.6	-72	176.8	175.1	0	0	112.3	K243 F244 T250 Q251	K243-E247 WeakPolarHBondContact CE-OE1 3.4Å; K243-E247 IonicContact NZ-OE1 3.91Å; K243-E247 WeakPolarHBondContact O-CG 3.34Å; K243-E247 PolarHBondContact O-N 2.76Å; F244-E247 PolarHBondContact O-N 3.41Å; E247-T250 PolarHBondContact O-OG1 3.25Å; E247-Q251 WeakPolarHBondContact O-CG 3.26Å; E247-Q251 PolarHBondContact O-NE2 3.46Å
248	N	93.2	Very high	87.8	Confident	24 Å²	24	84.4 Å²	84.4	13%	0.128	42%	0.424	C	S	.	.	H	α-helix	trans	-71.9	-48.3	177.7	-179	54.1	0	0	0	111.5	A223 S227 F244 E245 F246 F252	A223-N248 WeakPolarHBondContact CA-ND2 3.47Å; A223-N248 PolarHBondContact O-ND2 3.33Å; S227-N248 PolarHBondContact OG-ND2 3.28Å; S227-N248 VanDerWaalsContact OG-ND2 3.1Å; F244-N248 HydrophobicContact CD1-CB 4.43Å; F244-N248 HydrophobicContact CE1-CB 4.14Å; F244-N248 HydrophobicContact CZ-CB 4.48Å; F244-N248 WeakPolarHBondContact O-CB 3.2Å; F244-N248 PolarHBondContact O-N 3.45Å; E245-N248 PolarHBondContact O-N 3.45Å; F246-N248 VanDerWaalsContact C-N 3.33Å; F246-N248 PolarHBondContact O-N 3.15Å; N248-F252 VanDerWaalsContact O-CD2 3.25Å; N248-F252 WeakPolarHBondContact O-CD2 3.36Å
249	A	90.6	Very high	86.8	Confident	30 Å²	30	82.2 Å²	82.2	25%	0.248	41%	0.413	C	S	.	.	H	α-helix	trans	-68.3	-40.5	-176.3	0	0	0	0	0	113	E245 Q251 F252 I253	E245-A249 VanDerWaalsContact O-CB 3.26Å; E245-A249 WeakPolarHBondContact O-CB 3.31Å; E245-A249 PolarHBondContact O-N 2.89Å; A249-Q251 PolarHBondContact O-N 2.91Å; A249-F252 PolarHBondContact O-N 3.28Å; A249-I253 PolarHBondContact O-N 3.39Å
250	T	88.9	Confident	85.8	Confident	55 Å²	55	80.1 Å²	80.1	34%	0.337	41%	0.406	S	S	.	.	H	α-helix	trans	-64.8	-24.4	-175.1	50.3	0	0	0	0	113.8	F246 E247 F252 I253	F246-T250 HydrophobicContact CD1-CG2 4.21Å; F246-T250 HydrophobicContact CD2-CG2 4.21Å; F246-T250 HydrophobicContact CE1-CG2 3.94Å; F246-T250 HydrophobicContact CE2-CG2 3.95Å; F246-T250 HydrophobicContact CG-CG2 4.34Å; F246-T250 HydrophobicContact CZ-CG2 3.81Å; F246-T250 WeakPolarHBondContact O-CB 3.25Å; F246-T250 WeakPolarHBondContact O-CG2 3.19Å; F246-T250 PolarHBondContact O-N 3.04Å; F246-T250 PolarHBondContact O-OG1 3.2Å; E247-T250 PolarHBondContact O-OG1 3.25Å; T250-F252 PolarHBondContact O-N 3.29Å; T250-I253 HydrophobicContact CG2-CD1 4.13Å; T250-I253 PolarHBondContact O-N 2.9Å
251	Q	84.6	Confident	85	Confident	144 Å²	144	80.6 Å²	80.6	67%	0.673	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-28.5	172.9	-65.2	172.8	32.6	0	0	112.5	E247 A249	E247-Q251 WeakPolarHBondContact O-CG 3.26Å; E247-Q251 PolarHBondContact O-NE2 3.46Å; A249-Q251 PolarHBondContact O-N 2.91Å
252	F	80.5	Confident	84.4	Confident	59 Å²	59	86 Å²	86	26%	0.259	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-8.4	179.1	-58.9	-77.3	0	0	0	113.2	D219 A223 N248 A249 T250 N254 I257	D219-F252 HydrophobicContact CB-CD1 3.67Å; D219-F252 HydrophobicContact CB-CE1 4.16Å; D219-F252 HydrophobicContact CB-CG 4.38Å; A223-F252 HydrophobicContact CB-CD2 3.54Å; A223-F252 HydrophobicContact CB-CE2 3.7Å; A223-F252 HydrophobicContact CB-CG 4.41Å; N248-F252 VanDerWaalsContact O-CD2 3.25Å; N248-F252 WeakPolarHBondContact O-CD2 3.36Å; A249-F252 PolarHBondContact O-N 3.28Å; T250-F252 PolarHBondContact O-N 3.29Å; F252-N254 PolarHBondContact O-N 3.33Å; F252-I257 WeakPolarHBondContact O-CD1 3.42Å
253	I	76.1	Confident	83.6	Confident	99 Å²	99	85 Å²	85	51%	0.508	43%	0.429	S	S	.	.			trans	-72.1	72	167.9	-55.5	178	0	0	0	108.5	A249 T250	A249-I253 PolarHBondContact O-N 3.39Å; T250-I253 HydrophobicContact CG2-CD1 4.13Å; T250-I253 PolarHBondContact O-N 2.9Å
254	N	69.3	Low	82.8	Confident	69 Å²	69	83.7 Å²	83.7	37%	0.369	42%	0.423	S	S	.	.			trans	-97.1	178.2	-178.9	65.4	27.9	0	0	0	110.8	F252 G256 I257 I258	F252-N254 PolarHBondContact O-N 3.33Å; N254-G256 PolarHBondContact O-N 3.33Å; N254-G256 WeakPolarHBondContact OD1-CA 3.39Å; N254-G256 PolarHBondContact OD1-N 2.9Å; N254-I257 PolarHBondContact O-N 3.17Å; N254-I257 VanDerWaalsContact O-N 3.15Å; N254-I257 PolarHBondContact OD1-N 3.47Å; N254-I257 VanDerWaalsContact OD1-N 3.14Å; N254-I258 PolarHBondContact O-N 3.43Å
255	K	62.3	Low	82.2	Confident	187 Å²	187	87 Å²	87	81%	0.813	44%	0.443	S	S	*	.	H	α-helix	trans	-55	-25.3	174.6	-69.1	-177.5	180	177.3	0	113	S259	K255-S259 WeakPolarHBondContact O-CB 3.35Å; K255-S259 PolarHBondContact O-N 2.88Å
256	G	69.2	Low	81.7	Confident	34 Å²	34	89.3 Å²	89.3	35%	0.351	45%	0.454	S	S	.	.	H	α-helix	trans	-67.2	-47.5	176.4	0	0	0	0	0	112.8	N254 I258 S259 N260	N254-G256 PolarHBondContact O-N 3.33Å; N254-G256 WeakPolarHBondContact OD1-CA 3.39Å; N254-G256 PolarHBondContact OD1-N 2.9Å; G256-I258 VanDerWaalsContact C-N 3.34Å; G256-I258 PolarHBondContact O-N 3.04Å; G256-S259 WeakPolarHBondContact O-CB 3.27Å; G256-S259 PolarHBondContact O-N 3.49Å; G256-N260 WeakPolarHBondContact O-CB 3.44Å; G256-N260 VanDerWaalsContact O-CG 3.31Å; G256-N260 PolarHBondContact O-N 3.21Å
257	I	74.3	Confident	81	Confident	63 Å²	63	84.1 Å²	84.1	32%	0.323	44%	0.44	S	S	.	.	H	α-helix	trans	-62.2	-44.5	174.1	-63.3	-168.3	0	0	0	110.4	F252 N254 S259 N260 A261	F252-I257 WeakPolarHBondContact O-CD1 3.42Å; N254-I257 PolarHBondContact O-N 3.17Å; N254-I257 VanDerWaalsContact O-N 3.15Å; N254-I257 PolarHBondContact OD1-N 3.47Å; N254-I257 VanDerWaalsContact OD1-N 3.14Å; I257-S259 VanDerWaalsContact C-N 3.29Å; I257-S259 PolarHBondContact O-N 2.83Å; I257-N260 PolarHBondContact O-N 3.22Å; I257-A261 PolarHBondContact O-N 3.5Å
258	I	78.8	Confident	79.8	Confident	90 Å²	90	84 Å²	84	46%	0.462	45%	0.446	S	S	.	.	H	α-helix	trans	-61	-40.3	176.4	-61.3	171.5	0	0	0	110.9	N254 G256 A261 K262	N254-I258 PolarHBondContact O-N 3.43Å; G256-I258 VanDerWaalsContact C-N 3.34Å; G256-I258 PolarHBondContact O-N 3.04Å; I258-A261 PolarHBondContact O-N 3.38Å; I258-K262 WeakPolarHBondContact O-CG 3.5Å; I258-K262 PolarHBondContact O-N 3.25Å
259	S	77.4	Confident	78.7	Confident	47 Å²	47	83.1 Å²	83.1	33%	0.329	44%	0.443	S	S	.	.	H	α-helix	trans	-65.8	-42.6	175.8	-177.6	0	0	0	0	112	K255 G256 I257 A261 K262 K263	K255-S259 WeakPolarHBondContact O-CB 3.35Å; K255-S259 PolarHBondContact O-N 2.88Å; G256-S259 WeakPolarHBondContact O-CB 3.27Å; G256-S259 PolarHBondContact O-N 3.49Å; I257-S259 VanDerWaalsContact C-N 3.29Å; I257-S259 PolarHBondContact O-N 2.83Å; S259-A261 VanDerWaalsContact C-N 3.33Å; S259-A261 PolarHBondContact O-N 2.81Å; S259-K262 WeakPolarHBondContact O-CB 3.43Å; S259-K262 PolarHBondContact O-N 3.14Å; S259-K263 WeakPolarHBondContact O-CG 3.45Å; S259-K263 PolarHBondContact O-N 2.81Å
260	N	77.8	Confident	77.6	Confident	90 Å²	90	87 Å²	87	48%	0.481	45%	0.451	S	S	.	.	H	α-helix	trans	-64	-38.8	175.6	-71.6	-17.7	0	0	0	111.7	G256 I257 K262 K263 F264	G256-N260 WeakPolarHBondContact O-CB 3.44Å; G256-N260 VanDerWaalsContact O-CG 3.31Å; G256-N260 PolarHBondContact O-N 3.21Å; I257-N260 PolarHBondContact O-N 3.22Å; N260-K262 VanDerWaalsContact C-N 3.34Å; N260-K262 PolarHBondContact O-N 3.15Å; N260-K263 PolarHBondContact O-N 3.06Å; N260-F264 WeakPolarHBondContact O-CB 3.42Å; N260-F264 PolarHBondContact O-N 3.22Å
261	A	81.7	Confident	76.7	Confident	52 Å²	52	93.5 Å²	93.5	43%	0.43	48%	0.477	S	S	.	.	H	α-helix	trans	-60.8	-42.6	172.4	0	0	0	0	0	111.6	I257 I258 S259 F264 L265	I257-A261 PolarHBondContact O-N 3.5Å; I258-A261 PolarHBondContact O-N 3.38Å; S259-A261 VanDerWaalsContact C-N 3.33Å; S259-A261 PolarHBondContact O-N 2.81Å; A261-F264 PolarHBondContact O-N 3.32Å; A261-L265 WeakPolarHBondContact O-CG 3.3Å; A261-L265 PolarHBondContact O-N 3.46Å
262	K	84.9	Confident	75.6	Confident	127 Å²	127	89.7 Å²	89.7	55%	0.552	48%	0.477	S	S	*	.	H	α-helix	trans	-61.2	-48.6	173.8	-71.1	177.6	179.6	-172.8	0	112.1	I258 S259 N260 F264 L265 E266	I258-K262 WeakPolarHBondContact O-CG 3.5Å; I258-K262 PolarHBondContact O-N 3.25Å; S259-K262 WeakPolarHBondContact O-CB 3.43Å; S259-K262 PolarHBondContact O-N 3.14Å; N260-K262 VanDerWaalsContact C-N 3.34Å; N260-K262 PolarHBondContact O-N 3.15Å; K262-F264 VanDerWaalsContact C-N 3.26Å; K262-F264 PolarHBondContact O-N 3.09Å; K262-L265 CarbonylContact O-C 3.6Å; K262-L265 WeakPolarHBondContact O-CB 3.16Å; K262-L265 PolarHBondContact O-N 3.11Å; K262-L265 VanDerWaalsContact O-N 3.09Å; K262-E266 WeakPolarHBondContact O-CG 3.4Å; K262-E266 PolarHBondContact O-N 3.03Å
263	K	81.9	Confident	74.5	Confident	95 Å²	95	90.8 Å²	90.8	41%	0.413	49%	0.492	S	S	.	.	H	α-helix	trans	-58.9	-37.4	176.7	-70.4	176	-176.7	176.3	0	112.6	S259 N260 E266 G267 T268	S259-K263 WeakPolarHBondContact O-CG 3.45Å; S259-K263 PolarHBondContact O-N 2.81Å; N260-K263 PolarHBondContact O-N 3.06Å; K263-E266 CarbonylContact O-C 3.55Å; K263-E266 PolarHBondContact O-N 2.75Å; K263-G267 PolarHBondContact O-N 3.47Å; K263-G267 VanDerWaalsContact O-N 3.15Å; K263-T268 VanDerWaalsContact O-CB 3.27Å; K263-T268 WeakPolarHBondContact O-CB 3.14Å; K263-T268 PolarHBondContact O-N 3.09Å; K263-T268 PolarHBondContact O-OG1 3.31Å
264	F	81.9	Confident	73.5	Confident	99 Å²	99	93.2 Å²	93.2	43%	0.434	50%	0.499	S	S	.	.	H	α-helix	trans	-66.2	-42.3	175.3	-177.8	-93.7	0	0	0	112.2	N260 A261 K262 E266 G267 T268 R270	N260-F264 WeakPolarHBondContact O-CB 3.42Å; N260-F264 PolarHBondContact O-N 3.22Å; A261-F264 PolarHBondContact O-N 3.32Å; K262-F264 VanDerWaalsContact C-N 3.26Å; K262-F264 PolarHBondContact O-N 3.09Å; F264-E266 PolarHBondContact O-N 3.49Å; F264-G267 PolarHBondContact O-N 3.23Å; F264-G267 VanDerWaalsContact O-N 3.08Å; F264-T268 VanDerWaalsContact CA-O 3.3Å; F264-T268 WeakPolarHBondContact CA-O 3.44Å; F264-T268 WeakPolarHBondContact CD2-O 3.34Å; F264-R270 HydrophobicContact CE2-CG 4.39Å; F264-R270 HydrophobicContact CZ-CG 4.39Å; F264-R270 PolarHBondContact O-NE 3.04Å
265	L	84.7	Confident	72.5	Confident	120 Å²	120	99.3 Å²	99.3	63%	0.628	52%	0.522	S	S	*	.	H	α-helix	trans	-63	-32	172.6	-68.7	173.3	0	0	0	112	A261 K262 G267 R270	A261-L265 WeakPolarHBondContact O-CG 3.3Å; A261-L265 PolarHBondContact O-N 3.46Å; K262-L265 CarbonylContact O-C 3.6Å; K262-L265 WeakPolarHBondContact O-CB 3.16Å; K262-L265 PolarHBondContact O-N 3.11Å; K262-L265 VanDerWaalsContact O-N 3.09Å; L265-G267 VanDerWaalsContact C-N 3.28Å; L265-G267 PolarHBondContact O-N 3.48Å; L265-R270 PolarHBondContact O-NH2 2.87Å
266	E	87.1	Confident	71.8	Confident	153 Å²	153	94.6 Å²	94.6	72%	0.715	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-5.4	174.8	-68.2	164.5	-173.4	0	0	113.9	K262 K263 F264	K262-E266 WeakPolarHBondContact O-CG 3.4Å; K262-E266 PolarHBondContact O-N 3.03Å; K263-E266 CarbonylContact O-C 3.55Å; K263-E266 PolarHBondContact O-N 2.75Å; F264-E266 PolarHBondContact O-N 3.49Å
267	G	79.8	Confident	70.5	Confident	33 Å²	33	103.7 Å²	103.7	34%	0.34	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	117.8	-13	173.1	0	0	0	0	0	115.6	K263 F264 L265 G269 R270	K263-G267 PolarHBondContact O-N 3.47Å; K263-G267 VanDerWaalsContact O-N 3.15Å; F264-G267 PolarHBondContact O-N 3.23Å; F264-G267 VanDerWaalsContact O-N 3.08Å; L265-G267 VanDerWaalsContact C-N 3.28Å; L265-G267 PolarHBondContact O-N 3.48Å; G267-G269 PolarHBondContact O-N 3.42Å; G267-R270 PolarHBondContact O-N 3.41Å
268	T	71.8	Confident	70.3	Confident	93 Å²	93	105.8 Å²	105.8	57%	0.571	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	116.1	-178.9	-51.3	0	0	0	0	110.5	K263 F264 R270	K263-T268 VanDerWaalsContact O-CB 3.27Å; K263-T268 WeakPolarHBondContact O-CB 3.14Å; K263-T268 PolarHBondContact O-N 3.09Å; K263-T268 PolarHBondContact O-OG1 3.31Å; F264-T268 VanDerWaalsContact CA-O 3.3Å; F264-T268 WeakPolarHBondContact CA-O 3.44Å; F264-T268 WeakPolarHBondContact CD2-O 3.34Å; T268-R270 VanDerWaalsContact C-N 3.34Å
269	G	70.1	Confident	69.9	Low	6 Å²	6	106.6 Å²	106.6	6%	0.062	56%	0.561	C	S	.	*	T	Hydrogen-bonded Turn	trans	85.4	-2	-178.7	0	0	0	0	0	115	G267 G272 S273	G267-G269 PolarHBondContact O-N 3.42Å; G269-G272 PolarHBondContact O-N 3.24Å; G269-S273 WeakPolarHBondContact CA-O 3.49Å
270	R	66.2	Low	69.5	Low	112 Å²	112	109.9 Å²	109.9	42%	0.423	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	-60.2	140.8	167.5	-69.1	-168.1	-178.5	-167.1	-3.9	108.9	F264 L265 G267 T268 G272 S273	F264-R270 HydrophobicContact CE2-CG 4.39Å; F264-R270 HydrophobicContact CZ-CG 4.39Å; F264-R270 PolarHBondContact O-NE 3.04Å; L265-R270 PolarHBondContact O-NH2 2.87Å; G267-R270 PolarHBondContact O-N 3.41Å; T268-R270 VanDerWaalsContact C-N 3.34Å; R270-G272 VanDerWaalsContact C-N 3.33Å; R270-G272 PolarHBondContact O-N 3.39Å; R270-S273 PolarHBondContact O-OG 3.06Å
271	H	70.8	Confident	69	Low	191 Å²	191	111.1 Å²	111.1	88%	0.884	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	68.8	20	-176.9	-43.2	-72.5	0	0	0	115.9	S273	H271-S273 VanDerWaalsContact C-N 3.28Å; H271-S273 PolarHBondContact O-N 3.25Å
272	G	61.5	Low	68.2	Low	65 Å²	65	114.8 Å²	114.8	67%	0.67	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	79.8	4.3	173.3	0	0	0	0	0	114.7	G269 R270 F274	G269-G272 PolarHBondContact O-N 3.24Å; R270-G272 VanDerWaalsContact C-N 3.33Å; R270-G272 PolarHBondContact O-N 3.39Å; G272-F274 PolarHBondContact O-N 3.45Å
273	S	57	Low	67	Low	81 Å²	81	113.9 Å²	113.9	57%	0.566	59%	0.591	S	S	*	*			trans	-80.4	82.1	175.4	57.1	0	0	0	0	111	G269 R270 H271	G269-S273 WeakPolarHBondContact CA-O 3.49Å; R270-S273 PolarHBondContact O-OG 3.06Å; H271-S273 VanDerWaalsContact C-N 3.28Å; H271-S273 PolarHBondContact O-N 3.25Å
274	F	55.9	Low	66	Low	150 Å²	150	115.3 Å²	115.3	66%	0.658	60%	0.604	S	S	*	*			trans	-89.6	108.6	165.3	-83.8	-92.5	0	0	0	109.2	G272 M276	G272-F274 PolarHBondContact O-N 3.45Å; F274-M276 PolarHBondContact O-N 3.28Å
275	K	47.3	Very low	64.8	Low	197 Å²	197	116.5 Å²	116.5	86%	0.857	62%	0.617	S	S	*	*			trans	-78.2	96	161.2	-76	-170.4	177.6	-177.1	0	107.5	N277	K275-N277 PolarHBondContact O-N 3.25Å
276	M	47.8	Very low	63.1	Low	89 Å²	89	116.3 Å²	116.3	44%	0.438	62%	0.616	S	S	.	*			trans	-74	108.2	167.1	-62.8	-86.2	-133.8	0	0	106.6	A215 M216 F274	A215-M276 HydrophobicContact CB-CB 4.25Å; A215-M276 HydrophobicContact CB-CE 3.82Å; A215-M276 HydrophobicContact CB-CG 4.33Å; A215-M276 HydrophobicContact CB-SD 3.86Å; M216-M276 HydrophobicContact CE-CE 3.29Å; M216-M276 HydrophobicContact SD-CE 3.68Å; F274-M276 PolarHBondContact O-N 3.28Å
277	N	42.1	Very low	60.9	Low	225 Å²	225	112.9 Å²	112.9	100%	1.203	61%	0.607	S	S	*	*			trans	-70.4	0	170.4	-75.1	-9.4	0	0	0	110.8	K275	K275-N277 PolarHBondContact O-N 3.25Å

Retrieved 277 of 277 residues in 315.3 ms (Link to these results)

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