A0A077Z1S8_TRITR Loading...

Ras protein Rab 4B

AlphaFold DB , UniProt , Accession A0A077Z1S8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 206 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	25.9	Very low	34.3	Very low	243 Å²	243	134.4 Å²	134.4	100%	1.197	68%	0.679	S	S	*	*				0	118.3	0	-165.4	179.5	-59	0	0	106.6
2	M	26.6	Very low	34	Very low	160 Å²	160	133.8 Å²	133.8	79%	0.788	68%	0.678	S	S	*	*			trans	67.2	78.4	-176.8	-107.3	-158.2	-66.1	0	0	118.1
3	L	27	Very low	34.3	Very low	170 Å²	170	136.2 Å²	136.2	89%	0.89	68%	0.682	S	S	*	*			trans	-121.1	-1	148.4	-82.1	171.6	0	0	0	112.5
4	E	31.5	Very low	34.1	Very low	194 Å²	194	140.1 Å²	140.1	91%	0.907	69%	0.687	S	S	*	*	S	Bend	trans	-95	9.1	-169.3	-73.9	-167.7	154.8	0	0	116.3
5	T	32.1	Very low	34.3	Very low	106 Å²	106	143.3 Å²	143.3	65%	0.65	70%	0.695	S	S	*	*			trans	-120.1	66.8	178.8	42.6	0	0	0	0	111.9
6	Y	40.1	Very low	35	Very low	143 Å²	143	142.8 Å²	142.8	56%	0.561	70%	0.697	S	S	*	*	S	Bend	trans	-121.7	105.3	157.7	-83.3	-84.6	0	0	0	110.4	P204	Y6-P204 HydrophobicContact CE1-CB 4.12Å
7	S	40.5	Very low	35.7	Very low	65 Å²	65	143.4 Å²	143.4	46%	0.455	70%	0.704	S	S	.	*			trans	67.2	51.5	148.7	-171.7	0	0	0	0	119.3	A9	S7-A9 VanDerWaalsContact C-N 3.32Å; S7-A9 PolarHBondContact O-N 2.9Å
8	K	34.8	Very low	36.2	Very low	158 Å²	158	143.8 Å²	143.8	69%	0.687	71%	0.709	S	S	*	*			trans	-71.1	92.7	150.4	-79.1	-176.1	179.6	174.2	0	108.8	T10 I26	K8-T10 PolarHBondContact O-N 3.33Å; K8-I26 HydrophobicContact CB-CG2 4.48Å; K8-I26 HydrophobicContact CD-CG2 4.24Å; K8-I26 HydrophobicContact CG-CG2 3.94Å
9	A	42.3	Very low	36.7	Very low	35 Å²	35	141.6 Å²	141.6	29%	0.289	71%	0.706	S	S	.	*	B	Isolated β-bridge	trans	-87	96.7	171	0	0	0	0	0	108.8	S7 F11	S7-A9 VanDerWaalsContact C-N 3.32Å; S7-A9 PolarHBondContact O-N 2.9Å; A9-F11 HydrophobicContact CB-CD2 4.2Å; A9-F11 HydrophobicContact CB-CE2 3.92Å; A9-F11 PolarHBondContact O-N 2.95Å
10	T	36.5	Very low	37.2	Very low	87 Å²	87	143.1 Å²	143.1	53%	0.534	71%	0.711	S	S	.	*			trans	-76.8	115.2	174.9	-55.6	0	0	0	0	109.5	K8 F24	K8-T10 PolarHBondContact O-N 3.33Å; T10-F24 HydrophobicContact CG2-CD1 3.6Å; T10-F24 HydrophobicContact CG2-CE1 3.88Å
11	F	39.6	Very low	37.5	Very low	117 Å²	117	145.3 Å²	145.3	51%	0.513	72%	0.717	S	S	.	*			trans	-115.1	133.8	172.5	-80.8	-88.4	0	0	0	110.8	A9 F13	A9-F11 HydrophobicContact CB-CD2 4.2Å; A9-F11 HydrophobicContact CB-CE2 3.92Å; A9-F11 PolarHBondContact O-N 2.95Å; F11-F13 HydrophobicContact CB-CE2 4.25Å
12	L	31.4	Very low	38.5	Very low	128 Å²	128	136.9 Å²	136.9	67%	0.67	69%	0.685	S	S	*	*			trans	-83.7	120.1	176.3	-74.1	161.1	0	0	0	109.5	F24	L12-F24 HydrophobicContact CD2-CE1 3.72Å; L12-F24 HydrophobicContact CD2-CZ 4.06Å
13	F	37.2	Very low	39.5	Very low	165 Å²	165	137.7 Å²	137.7	72%	0.724	69%	0.685	S	S	*	*			trans	-112.1	111.5	162.5	-69.4	-81.1	0	0	0	108.1	F11 K15	F11-F13 HydrophobicContact CB-CE2 4.25Å; F13-K15 PolarHBondContact O-N 3.03Å
14	Y	31.3	Very low	40.7	Very low	191 Å²	191	134.7 Å²	134.7	75%	0.749	67%	0.665	S	S	*	*			trans	-79	112.6	162.9	-107	-102.1	0	0	0	106.7
15	K	37.2	Very low	42	Very low	188 Å²	188	130.1 Å²	130.1	82%	0.817	65%	0.646	S	S	*	*			trans	-86.1	111.4	159.4	-156.4	178.2	-175.5	-177.9	0	105.1	F13 D17	F13-K15 PolarHBondContact O-N 3.03Å; K15-D17 PolarHBondContact O-N 3.09Å
16	D	46	Very low	43.9	Very low	134 Å²	134	128.3 Å²	128.3	72%	0.717	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51	127.8	172.9	-64.4	-41.6	0	0	0	107.7
17	D	47.4	Very low	45.7	Very low	153 Å²	153	122.1 Å²	122.1	82%	0.818	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	107.2	1.3	174.5	-54.6	-29.4	0	0	0	120.6	K15	K15-D17 PolarHBondContact O-N 3.09Å
18	L	44.5	Very low	47.9	Very low	151 Å²	151	121.3 Å²	121.3	79%	0.791	60%	0.599	S	S	*	*			trans	-143.8	91.6	167.2	-76	171.4	0	0	0	113.8	H20	L18-H20 VanDerWaalsContact C-N 3.33Å; L18-H20 PolarHBondContact O-N 2.88Å
19	P	44.9	Very low	50.5	Low	102 Å²	102	116.9 Å²	116.9	66%	0.662	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	11.2	-173.5	25.7	-27	0	0	0	117
20	H	46.1	Very low	52.8	Low	171 Å²	171	118.5 Å²	118.5	79%	0.792	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.3	-1.5	-174.3	-80.8	-80.3	0	0	0	118	L18	L18-H20 VanDerWaalsContact C-N 3.33Å; L18-H20 PolarHBondContact O-N 2.88Å
21	F	44	Very low	55.5	Low	191 Å²	191	114.4 Å²	114.4	84%	0.838	56%	0.557	S	S	*	*			trans	-142.3	84.8	167	-94.5	-90.8	0	0	0	109.6	F23	F21-F23 VanDerWaalsContact C-N 3.33Å; F21-F23 PolarHBondContact O-N 3.37Å
22	A	46.6	Very low	58.1	Low	65 Å²	65	110.6 Å²	110.6	54%	0.537	54%	0.54	S	S	.	.			trans	-65.6	97.7	162.8	0	0	0	0	0	107.7	F24	A22-F24 HydrophobicContact CB-CE2 4.14Å; A22-F24 WeakPolarHBondContact O-CD2 3.49Å; A22-F24 PolarHBondContact O-N 3.42Å
23	F	49.2	Very low	61.1	Low	177 Å²	177	104.5 Å²	104.5	78%	0.776	51%	0.508	S	S	*	.			trans	-73.5	97.9	171.3	-160.7	-96.4	0	0	0	107.5	F21 L25	F21-F23 VanDerWaalsContact C-N 3.33Å; F21-F23 PolarHBondContact O-N 3.37Å; F23-L25 HydrophobicContact CD1-CD2 4.37Å; F23-L25 HydrophobicContact CD1-CG 4.23Å; F23-L25 HydrophobicContact CE1-CD2 4.19Å; F23-L25 PolarHBondContact O-N 3.02Å
24	F	52	Low	63.9	Low	108 Å²	108	96.7 Å²	96.7	47%	0.474	47%	0.474	S	S	.	.			trans	-66.2	101.3	172.7	-71.7	-88.5	0	0	0	108.3	T10 L12 A22 I26	T10-F24 HydrophobicContact CG2-CD1 3.6Å; T10-F24 HydrophobicContact CG2-CE1 3.88Å; L12-F24 HydrophobicContact CD2-CE1 3.72Å; L12-F24 HydrophobicContact CD2-CZ 4.06Å; A22-F24 HydrophobicContact CB-CE2 4.14Å; A22-F24 WeakPolarHBondContact O-CD2 3.49Å; A22-F24 PolarHBondContact O-N 3.42Å; F24-I26 HydrophobicContact CB-CG1 4.45Å; F24-I26 PolarHBondContact O-N 3.42Å
25	L	57.7	Low	67	Low	97 Å²	97	87.6 Å²	87.6	51%	0.508	44%	0.438	S	S	.	.			trans	-70	88.1	162.3	-80.8	165.3	0	0	0	107.3	F23 V27	F23-L25 HydrophobicContact CD1-CD2 4.37Å; F23-L25 HydrophobicContact CD1-CG 4.23Å; F23-L25 HydrophobicContact CE1-CD2 4.19Å; F23-L25 PolarHBondContact O-N 3.02Å; L25-V27 PolarHBondContact O-N 2.85Å
26	I	71.4	Confident	69.7	Low	68 Å²	68	78.7 Å²	78.7	35%	0.349	40%	0.399	S	S	.	.			trans	-63.3	120.8	166.7	-61.6	175.4	0	0	0	106.1	K8 F24 S78	K8-I26 HydrophobicContact CB-CG2 4.48Å; K8-I26 HydrophobicContact CD-CG2 4.24Å; K8-I26 HydrophobicContact CG-CG2 3.94Å; F24-I26 HydrophobicContact CB-CG1 4.45Å; F24-I26 PolarHBondContact O-N 3.42Å; I26-S78 WeakPolarHBondContact O-CB 3.41Å; I26-S78 PolarHBondContact O-OG 3.06Å
27	V	79	Confident	72	Confident	13 Å²	13	72.3 Å²	72.3	8%	0.079	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-87.6	123.5	168.7	174.3	0	0	0	0	106.8	L25 Y29 V71 K80	L25-V27 PolarHBondContact O-N 2.85Å; V27-Y29 WeakPolarHBondContact CG1-O 3.4Å; V27-V71 HydrophobicContact CG2-CG2 4.27Å; V27-K80 HydrophobicContact CG1-CB 3.61Å; V27-K80 HydrophobicContact CG2-CB 4.23Å
28	D	87	Confident	74.2	Confident	48 Å²	48	66.6 Å²	66.6	26%	0.257	34%	0.335	S	S	.	.			trans	-81.3	-36.9	178.9	-58.5	-62.7	0	0	0	110.9	K77 S78	D28-K77 HydrophobicContact CB-CB 4.47Å; D28-K77 WeakPolarHBondContact OD2-CA 3.2Å; D28-S78 PolarHBondContact N-O 3.17Å; D28-S78 PolarHBondContact OD2-N 3.03Å
29	Y	88.6	Confident	76.4	Confident	66 Å²	66	61.1 Å²	61.1	26%	0.259	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	146.4	-175.1	-61.5	-84	0	0	0	113.3	V27 F31 K77 S78 V79 K80 M192 V195	V27-Y29 WeakPolarHBondContact CG1-O 3.4Å; Y29-F31 HydrophobicContact CD1-CE1 4.3Å; Y29-F31 HydrophobicContact CG-CE1 4.2Å; Y29-F31 HydrophobicContact CG-CZ 4.43Å; Y29-K77 HydrophobicContact CD2-CB 4.22Å; Y29-K77 HydrophobicContact CE2-CB 4.18Å; Y29-K77 HydrophobicContact CE2-CD 4.22Å; Y29-K77 HydrophobicContact CE2-CG 3.98Å; Y29-S78 PolarHBondContact N-O 3.26Å; Y29-V79 CarbonylContact O-C 3.58Å; Y29-V79 WeakPolarHBondContact O-CA 3.34Å; Y29-K80 PolarHBondContact O-N 3.41Å; Y29-M192 HydrophobicContact CD2-CE 3.47Å; Y29-M192 VanDerWaalsContact CD2-CE 3.47Å; Y29-M192 HydrophobicContact CD2-SD 4.08Å; Y29-M192 HydrophobicContact CE2-CE 3.9Å; Y29-M192 HydrophobicContact CE2-SD 3.93Å; Y29-M192 HydrophobicContact CG-CE 3.95Å; Y29-V195 HydrophobicContact CD1-CG1 4.46Å; Y29-V195 HydrophobicContact CE1-CG1 3.88Å
30	L	91	Very high	78.5	Confident	69 Å²	69	58.6 Å²	58.6	36%	0.361	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	113.7	173.7	-174.2	71.4	0	0	0	109.4	K80 Q82	L30-K80 WeakPolarHBondContact CA-O 3.47Å; L30-K80 HydrophobicContact CD1-CB 3.82Å; L30-K80 HydrophobicContact CD1-CD 3.94Å; L30-K80 HydrophobicContact CD1-CG 3.86Å; L30-Q82 HydrophobicContact CD1-CG 3.71Å; L30-Q82 HydrophobicContact CG-CG 4.39Å
31	F	93.6	Very high	80.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.7	177.9	-63.1	-13	0	0	0	110.8	Y29 V79 K80 L81 Q82 A188 I191 M192 V195 F202	Y29-F31 HydrophobicContact CD1-CE1 4.3Å; Y29-F31 HydrophobicContact CG-CE1 4.2Å; Y29-F31 HydrophobicContact CG-CZ 4.43Å; F31-V79 HydrophobicContact CB-CG1 4.37Å; F31-V79 HydrophobicContact CD1-CG1 4.31Å; F31-V79 HydrophobicContact CD2-CG1 3.42Å; F31-V79 VanDerWaalsContact CD2-CG1 3.42Å; F31-V79 HydrophobicContact CE1-CG1 4.45Å; F31-V79 HydrophobicContact CE2-CG1 3.62Å; F31-V79 HydrophobicContact CE2-CG2 4.49Å; F31-V79 HydrophobicContact CG-CG1 3.78Å; F31-V79 HydrophobicContact CZ-CG1 4.15Å; F31-K80 PolarHBondContact N-O 2.92Å; F31-L81 HydrophobicContact CB-CD2 3.92Å; F31-L81 HydrophobicContact CD2-CD2 4.15Å; F31-L81 HydrophobicContact CG-CD2 4.49Å; F31-L81 CarbonylContact O-C 3.42Å; F31-L81 WeakPolarHBondContact O-CA 3.39Å; F31-Q82 PolarHBondContact O-N 3.16Å; F31-A188 HydrophobicContact CD2-CB 4.42Å; F31-A188 WeakPolarHBondContact CE2-O 3.25Å; F31-I191 HydrophobicContact CD1-CG2 3.98Å; F31-I191 HydrophobicContact CD2-CB 3.98Å; F31-I191 HydrophobicContact CD2-CD1 4.22Å; F31-I191 HydrophobicContact CD2-CG2 3.72Å; F31-I191 HydrophobicContact CE1-CG2 3.87Å; F31-I191 HydrophobicContact CE2-CB 3.83Å; F31-I191 HydrophobicContact CE2-CG2 3.58Å; F31-I191 HydrophobicContact CG-CG2 3.94Å; F31-I191 HydrophobicContact CZ-CB 4.35Å; F31-I191 HydrophobicContact CZ-CG2 3.67Å; F31-M192 HydrophobicContact CE2-CB 4.36Å; F31-M192 HydrophobicContact CE2-CE 3.98Å; F31-M192 HydrophobicContact CZ-CB 4.4Å; F31-M192 HydrophobicContact CZ-CE 3.57Å; F31-M192 HydrophobicContact CZ-SD 4.13Å; F31-V195 HydrophobicContact CE1-CG2 4.37Å; F31-V195 HydrophobicContact CZ-CG2 4.4Å; F31-F202 HydrophobicContact CD1-CE1 4.34Å; F31-F202 AromaticContact CD1-CZ 3.82Å; F31-F202 HydrophobicContact CD1-CZ 3.82Å; F31-F202 HydrophobicContact CE1-CE2 4.32Å; F31-F202 AromaticContact CE1-CZ 3.6Å; F31-F202 HydrophobicContact CE1-CZ 3.6Å
32	K	93.4	Very high	83.2	Confident	38 Å²	38	42 Å²	42	17%	0.165	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	118.8	172.5	-179.4	177.5	172.3	-174.5	0	109.8	Q82 Y99 R101 A103 A104 G105	K32-Q82 CarbonylContact C-O 3.59Å; K32-Q82 WeakPolarHBondContact CA-O 3.47Å; K32-Y99 WeakPolarHBondContact CE-O 3.44Å; K32-Y99 PolarHBondContact NZ-O 3.05Å; K32-R101 PolarHBondContact NZ-O 3.08Å; K32-A103 HydrophobicContact CG-CB 4.47Å; K32-A104 PolarHBondContact O-N 2.83Å; K32-G105 PolarHBondContact O-N 2.84Å
33	L	95.8	Very high	85.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	144.1	175.1	-56	-173.3	0	0	0	110.6	L81 Q82 I83 W84 G105 F184 I191	L33-L81 HydrophobicContact CD1-CD1 4.15Å; L33-L81 HydrophobicContact CD1-CD2 4.26Å; L33-Q82 PolarHBondContact N-O 2.94Å; L33-I83 HydrophobicContact CB-CG1 4.26Å; L33-I83 HydrophobicContact CB-CG2 4.41Å; L33-I83 HydrophobicContact CD1-CG1 4.32Å; L33-I83 WeakPolarHBondContact O-CA 3.44Å; L33-W84 PolarHBondContact O-N 3.27Å; L33-G105 WeakPolarHBondContact CA-O 3.33Å; L33-F184 HydrophobicContact CD1-CD1 4.25Å; L33-I191 HydrophobicContact CD2-CD1 3.52Å
34	L	94.8	Very high	87.5	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.7	170.8	-60.5	178.7	0	0	0	110.2	I36 W84 Y100 A103 G105 A106 I107	L34-I36 HydrophobicContact CB-CG2 4.09Å; L34-W84 HydrophobicContact CD2-CB 3.66Å; L34-W84 HydrophobicContact CD2-CG 4.09Å; L34-Y100 VanDerWaalsContact CD1-CA 3.46Å; L34-Y100 HydrophobicContact CD1-CD1 3.86Å; L34-Y100 HydrophobicContact CD1-CE1 4.35Å; L34-Y100 HydrophobicContact CD1-CG 4Å; L34-A103 HydrophobicContact CD1-CB 3.57Å; L34-A103 HydrophobicContact CG-CB 3.67Å; L34-G105 PolarHBondContact N-O 3.18Å; L34-A106 CarbonylContact O-C 3.6Å; L34-A106 WeakPolarHBondContact O-CA 3.47Å; L34-I107 PolarHBondContact O-N 2.99Å
35	V	95.8	Very high	89.5	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	116	168.1	-164.4	0	0	0	0	107.9	K43 I83 W84 T86 I107 V109 F184	V35-K43 HydrophobicContact CB-CB 4.46Å; V35-K43 HydrophobicContact CG1-CB 3.64Å; V35-K43 HydrophobicContact CG1-CD 4.13Å; V35-K43 HydrophobicContact CG1-CG 3.82Å; V35-I83 HydrophobicContact CG2-CG2 3.54Å; V35-W84 PolarHBondContact N-O 3.03Å; V35-T86 PolarHBondContact O-N 3.29Å; V35-T86 PolarHBondContact O-OG1 3.36Å; V35-I107 WeakPolarHBondContact CA-O 3.4Å; V35-I107 HydrophobicContact CG1-CB 4.29Å; V35-I107 HydrophobicContact CG1-CG2 4.31Å; V35-I107 HydrophobicContact CG2-CB 4.39Å; V35-V109 HydrophobicContact CG1-CG2 3.78Å; V35-F184 HydrophobicContact CG2-CE1 4.3Å; V35-F184 HydrophobicContact CG2-CZ 4.37Å
36	I	94.9	Very high	91.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	157	-171.6	61.7	172.8	0	0	0	111.2	L34 T86 Y100 A106 I107 L108 V109 W124 A128	L34-I36 HydrophobicContact CB-CG2 4.09Å; I36-T86 HydrophobicContact CG2-CG2 4.47Å; I36-Y100 HydrophobicContact CD1-CE1 4.13Å; I36-Y100 HydrophobicContact CG2-CE1 4.38Å; I36-A106 HydrophobicContact CD1-CB 4.16Å; I36-I107 PolarHBondContact N-O 3.31Å; I36-L108 HydrophobicContact CD1-CD1 4.06Å; I36-L108 HydrophobicContact CG1-CB 4.41Å; I36-L108 HydrophobicContact CG1-CD1 3.91Å; I36-V109 PolarHBondContact O-N 3.32Å; I36-W124 HydrophobicContact CB-CE3 3.94Å; I36-W124 HydrophobicContact CB-CZ3 4.34Å; I36-W124 HydrophobicContact CD1-CB 4.39Å; I36-A128 HydrophobicContact CD1-CB 3.94Å
37	G	94.4	Very high	92.5	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	136.5	168	-174.6	0	0	0	0	0	112.2	K43 G88 W124	G37-K43 WeakPolarHBondContact O-CE 3.18Å; G37-K43 PolarHBondContact O-NZ 3.09Å; G37-G88 WeakPolarHBondContact O-CA 3.29Å; G37-W124 VanDerWaalsContact C-CE2 3.49Å; G37-W124 WeakPolarHBondContact O-CZ2 3.24Å
38	N	92.6	Very high	93.2	Very high	33 Å²	33	19.1 Å²	19.1	18%	0.176	11%	0.114	C	C	.	.			trans	-57	159.1	-176	-83.1	11.1	0	0	0	113.3	T41 K43 A120 W124	N38-T41 HydrophobicContact CB-CG2 4.02Å; N38-T41 WeakPolarHBondContact O-CG2 3.12Å; N38-T41 PolarHBondContact O-OG1 3.37Å; N38-K43 PolarHBondContact O-NZ 3.01Å; N38-A120 WeakPolarHBondContact ND2-CB 3.15Å; N38-A120 VanDerWaalsContact OD1-CB 3.27Å; N38-A120 WeakPolarHBondContact OD1-CB 3.37Å; N38-W124 PolarHBondContact OD1-NE1 2.8Å
39	S	90.5	Very high	93.7	Very high	36 Å²	36	17.8 Å²	17.8	25%	0.252	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	146	169.9	-170.7	0	0	0	0	110.6	T41 H61 G88 Q89	S39-T41 VanDerWaalsContact C-N 3.26Å; S39-T41 PolarHBondContact O-N 2.95Å; S39-H61 PolarHBondContact OG-ND1 3.01Å; S39-G88 PolarHBondContact N-O 2.77Å; S39-G88 VanDerWaalsContact N-O 3.13Å; S39-Q89 PolarHBondContact OG-NE2 3.18Å
40	G	90.6	Very high	94.1	Very high	49 Å²	49	14.8 Å²	14.8	51%	0.505	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-2.7	176.3	0	0	0	0	0	116.3	G42 K144	G40-G42 PolarHBondContact O-N 2.89Å; G40-K144 WeakPolarHBondContact O-CE 2.9Å; G40-K144 PolarHBondContact O-NZ 3.3Å
41	T	94.2	Very high	94.3	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.006	9%	0.088	C	C	.	.	S	Bend	trans	-73.6	-8.7	177.1	61.3	0	0	0	0	114	N38 S39 D111 N143	N38-T41 HydrophobicContact CB-CG2 4.02Å; N38-T41 WeakPolarHBondContact O-CG2 3.12Å; N38-T41 PolarHBondContact O-OG1 3.37Å; S39-T41 VanDerWaalsContact C-N 3.26Å; S39-T41 PolarHBondContact O-N 2.95Å; T41-D111 HydrophobicContact CG2-CB 4.22Å; T41-N143 PolarHBondContact O-ND2 2.85Å
42	G	94.2	Very high	94.3	Very high	13 Å²	13	18.6 Å²	18.6	13%	0.134	11%	0.112	C	C	.	.			trans	89.3	23.4	177.5	0	0	0	0	0	115.2	G40 S44 C45 L46	G40-G42 PolarHBondContact O-N 2.89Å; G42-S44 PolarHBondContact O-N 3Å; G42-C45 WeakPolarHBondContact O-CB 3.34Å; G42-C45 PolarHBondContact O-N 3.49Å; G42-C45 VanDerWaalsContact O-N 3.11Å; G42-L46 WeakPolarHBondContact O-CG 3.41Å; G42-L46 PolarHBondContact O-N 2.98Å
43	K	94	Very high	94.3	Very high	8 Å²	8	22.5 Å²	22.5	4%	0.035	13%	0.13	C	C	.	.	H	α-helix	trans	-50.7	-51.2	175.3	-61.3	-173.6	-61	-67.1	0	113.4	V35 G37 N38 C45 L46 L47 D85 T86 V109	V35-K43 HydrophobicContact CB-CB 4.46Å; V35-K43 HydrophobicContact CG1-CB 3.64Å; V35-K43 HydrophobicContact CG1-CD 4.13Å; V35-K43 HydrophobicContact CG1-CG 3.82Å; G37-K43 WeakPolarHBondContact O-CE 3.18Å; G37-K43 PolarHBondContact O-NZ 3.09Å; N38-K43 PolarHBondContact O-NZ 3.01Å; K43-C45 VanDerWaalsContact C-N 3.35Å; K43-C45 PolarHBondContact O-N 3.16Å; K43-L46 PolarHBondContact O-N 3.43Å; K43-L47 PolarHBondContact O-N 3.47Å; K43-D85 WeakPolarHBondContact CB-OD1 3.39Å; K43-T86 WeakPolarHBondContact CE-O 3.27Å; K43-V109 HydrophobicContact CG-CB 4.04Å; K43-V109 HydrophobicContact CG-CG1 4.5Å; K43-V109 HydrophobicContact CG-CG2 4.12Å
44	S	92.6	Very high	93.9	Very high	10 Å²	10	29.1 Å²	29.1	7%	0.07	16%	0.159	C	C	.	.	H	α-helix	trans	-63.4	-41.6	176.8	-44.6	0	0	0	0	111.2	G42 L46 L47 H48 T62 D85	G42-S44 PolarHBondContact O-N 3Å; S44-L46 VanDerWaalsContact C-N 3.33Å; S44-L46 PolarHBondContact O-N 2.92Å; S44-L47 PolarHBondContact O-N 3.14Å; S44-H48 WeakPolarHBondContact O-CB 3.25Å; S44-H48 PolarHBondContact O-CD2 2.94Å; S44-H48 PolarHBondContact O-N 2.92Å; S44-T62 PolarHBondContact OG-OG1 3.46Å; S44-D85 WeakPolarHBondContact CA-OD2 3.48Å; S44-D85 VanDerWaalsContact CB-OD2 3.27Å; S44-D85 WeakPolarHBondContact CB-OD2 3.36Å; S44-D85 PolarHBondContact OG-OD2 3.4Å
45	C	94.4	Very high	93.6	Very high	13 Å²	13	33.2 Å²	33.2	9%	0.088	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-41.5	177	-53	0	0	0	0	111.7	G42 K43 H48 Q49 F55 K56 A174	G42-C45 WeakPolarHBondContact O-CB 3.34Å; G42-C45 PolarHBondContact O-N 3.49Å; G42-C45 VanDerWaalsContact O-N 3.11Å; K43-C45 VanDerWaalsContact C-N 3.35Å; K43-C45 PolarHBondContact O-N 3.16Å; C45-H48 PolarHBondContact O-N 3.49Å; C45-Q49 WeakPolarHBondContact O-CB 3.17Å; C45-Q49 PolarHBondContact O-N 2.87Å; C45-F55 HydrophobicContact CB-CD2 4.04Å; C45-F55 HydrophobicContact CB-CE2 3.75Å; C45-K56 PolarHBondContact SG-O 3.24Å; C45-K56 VanDerWaalsContact SG-O 3.33Å; C45-A174 HydrophobicContact CB-CB 3.6Å
46	L	96.4	Very high	92.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.2	-43.7	174.5	-73.3	169.2	0	0	0	111.8	G42 K43 S44 Q49 F50 V109 I141 N143 A172 A174 V180 F184	G42-L46 WeakPolarHBondContact O-CG 3.41Å; G42-L46 PolarHBondContact O-N 2.98Å; K43-L46 PolarHBondContact O-N 3.43Å; S44-L46 VanDerWaalsContact C-N 3.33Å; S44-L46 PolarHBondContact O-N 2.92Å; L46-Q49 PolarHBondContact O-N 3.16Å; L46-F50 WeakPolarHBondContact O-CB 3.41Å; L46-F50 PolarHBondContact O-N 3.36Å; L46-V109 HydrophobicContact CD1-CB 4.42Å; L46-V109 HydrophobicContact CD1-CG1 3.65Å; L46-V109 HydrophobicContact CD1-CG2 3.81Å; L46-I141 HydrophobicContact CD1-CD1 4.33Å; L46-I141 HydrophobicContact CD1-CG2 4.2Å; L46-N143 HydrophobicContact CD1-CB 4.17Å; L46-A172 HydrophobicContact CD2-CB 4.39Å; L46-A174 HydrophobicContact CD2-CB 3.93Å; L46-A174 HydrophobicContact CG-CB 4.1Å; L46-V180 HydrophobicContact CD2-CG1 4.24Å; L46-V180 HydrophobicContact CD2-CG2 3.74Å; L46-F184 HydrophobicContact CB-CE2 4.42Å
47	L	95.4	Very high	91.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.1	-52.8	176	177.7	63.1	0	0	0	110.8	K43 S44 Q49 F50 L51 E66 I83 D85	K43-L47 PolarHBondContact O-N 3.47Å; S44-L47 PolarHBondContact O-N 3.14Å; L47-Q49 VanDerWaalsContact C-N 3.32Å; L47-Q49 PolarHBondContact O-N 2.85Å; L47-F50 PolarHBondContact O-N 2.82Å; L47-L51 HydrophobicContact CD1-CD1 3.63Å; L47-L51 HydrophobicContact CD1-CD2 4.45Å; L47-L51 HydrophobicContact CD1-CG 3.9Å; L47-L51 HydrophobicContact CD2-CD1 4.45Å; L47-L51 HydrophobicContact CG-CD1 3.8Å; L47-L51 HydrophobicContact CG-CG 4.34Å; L47-L51 WeakPolarHBondContact O-CB 3.49Å; L47-L51 VanDerWaalsContact O-CG 3.26Å; L47-L51 WeakPolarHBondContact O-CG 3.48Å; L47-L51 PolarHBondContact O-N 3.25Å; L47-E66 HydrophobicContact CD2-CG 4.36Å; L47-I83 HydrophobicContact CD1-CB 3.78Å; L47-I83 HydrophobicContact CD1-CD1 4.01Å; L47-I83 HydrophobicContact CD1-CG1 4.5Å; L47-I83 HydrophobicContact CD1-CG2 3.58Å; L47-D85 HydrophobicContact CD2-CB 3.6Å
48	H	94	Very high	90.4	Very high	16 Å²	16	47.4 Å²	47.4	7%	0.074	26%	0.26	C	S	.	.	H	α-helix	trans	-60.7	-41.6	179.4	-82.4	-90.2	0	0	0	111.7	S44 C45 F50 L51 E52 K54 K56 E66	S44-H48 WeakPolarHBondContact O-CB 3.25Å; S44-H48 PolarHBondContact O-CD2 2.94Å; S44-H48 PolarHBondContact O-N 2.92Å; C45-H48 PolarHBondContact O-N 3.49Å; H48-F50 VanDerWaalsContact C-N 3.34Å; H48-F50 PolarHBondContact O-N 3.18Å; H48-L51 PolarHBondContact O-N 3.26Å; H48-E52 WeakPolarHBondContact O-CA 3.47Å; H48-E52 WeakPolarHBondContact O-CB 3.41Å; H48-E52 PolarHBondContact O-N 3.03Å; H48-K54 CarbonylContact C-O 3.47Å; H48-K56 HydrophobicContact CB-CB 4.18Å; H48-K56 PolarHBondContact NE2-NZ 3.37Å; H48-E66 IonicContact CD2-OE1 2.75Å; H48-E66 IonicContact CE1-OE1 3Å; H48-E66 PolarHBondContact CE1-OE1 3.35Å; H48-E66 VanDerWaalsContact CE1-OE1 3.24Å; H48-E66 VanDerWaalsContact NE2-CD 3.3Å; H48-E66 IonicContact NE2-OE1 2.89Å; H48-E66 PolarHBondContact NE2-OE1 3.44Å; H48-E66 IonicContact NE2-OE2 3.31Å; H48-E66 PolarHBondContact NE2-OE2 2.94Å
49	Q	96.1	Very high	88.9	Confident	21 Å²	21	47.6 Å²	47.6	10%	0.098	27%	0.266	C	S	.	.	H	α-helix	trans	-64.6	-38.6	176.7	-171.3	68.3	-6	0	0	111.8	C45 L46 L47 H53 K54 F55 A174 V180	C45-Q49 WeakPolarHBondContact O-CB 3.17Å; C45-Q49 PolarHBondContact O-N 2.87Å; L46-Q49 PolarHBondContact O-N 3.16Å; L47-Q49 VanDerWaalsContact C-N 3.32Å; L47-Q49 PolarHBondContact O-N 2.85Å; Q49-H53 VanDerWaalsContact O-CA 3.23Å; Q49-H53 WeakPolarHBondContact O-CA 3.06Å; Q49-H53 PolarHBondContact O-N 3.45Å; Q49-K54 PolarHBondContact N-O 2.99Å; Q49-K54 VanDerWaalsContact OE1-CA 3.24Å; Q49-K54 PolarHBondContact OE1-O 3.41Å; Q49-F55 VanDerWaalsContact OE1-N 3.09Å; Q49-A174 WeakPolarHBondContact CG-O 3.35Å; Q49-V180 HydrophobicContact CB-CG1 4.12Å; Q49-V180 HydrophobicContact CG-CB 4.23Å; Q49-V180 HydrophobicContact CG-CG1 4.11Å; Q49-V180 HydrophobicContact CG-CG2 4Å
50	F	97.4	Very high	87.4	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.009	29%	0.289	C	S	.	.	H	α-helix	trans	-69.6	-39.3	176.4	178.3	-113.2	0	0	0	113.3	L46 L47 H48 K70 V72 L81 I83 V180 E181 F184	L46-F50 WeakPolarHBondContact O-CB 3.41Å; L46-F50 PolarHBondContact O-N 3.36Å; L47-F50 PolarHBondContact O-N 2.82Å; H48-F50 VanDerWaalsContact C-N 3.34Å; H48-F50 PolarHBondContact O-N 3.18Å; F50-K70 HydrophobicContact CD1-CD 4.19Å; F50-K70 HydrophobicContact CE1-CB 4.03Å; F50-K70 HydrophobicContact CE1-CD 3.67Å; F50-K70 HydrophobicContact CE1-CG 4.41Å; F50-K70 HydrophobicContact CE2-CD 4.21Å; F50-K70 HydrophobicContact CZ-CD 3.7Å; F50-K70 PolarHBondContact O-NZ 2.84Å; F50-V72 HydrophobicContact CZ-CG1 4.11Å; F50-L81 HydrophobicContact CE1-CD1 4.04Å; F50-L81 HydrophobicContact CZ-CD1 3.94Å; F50-I83 HydrophobicContact CD1-CD1 3.6Å; F50-I83 HydrophobicContact CE1-CD1 3.59Å; F50-V180 HydrophobicContact CB-CG1 3.98Å; F50-E181 HydrophobicContact CE2-CG 4.4Å; F50-F184 HydrophobicContact CB-CD2 3.73Å; F50-F184 HydrophobicContact CB-CE2 3.77Å; F50-F184 HydrophobicContact CB-CG 4.34Å; F50-F184 HydrophobicContact CB-CZ 4.4Å; F50-F184 HydrophobicContact CD1-CB 4.19Å; F50-F184 HydrophobicContact CD1-CD1 4.04Å; F50-F184 HydrophobicContact CD1-CD2 4.14Å; F50-F184 HydrophobicContact CD1-CE1 4.46Å; F50-F184 AromaticContact CD1-CG 3.87Å; F50-F184 HydrophobicContact CD1-CG 3.87Å; F50-F184 HydrophobicContact CD2-CB 3.66Å; F50-F184 AromaticContact CD2-CD2 3.74Å; F50-F184 HydrophobicContact CD2-CD2 3.74Å; F50-F184 AromaticContact CD2-CG 3.83Å; F50-F184 HydrophobicContact CD2-CG 3.83Å; F50-F184 HydrophobicContact CE1-CB 3.97Å; F50-F184 HydrophobicContact CE1-CD1 4.23Å; F50-F184 HydrophobicContact CE1-CG 4.09Å; F50-F184 HydrophobicContact CE2-CB 3.41Å; F50-F184 VanDerWaalsContact CE2-CB 3.41Å; F50-F184 HydrophobicContact CE2-CD2 4.4Å; F50-F184 HydrophobicContact CE2-CG 4.06Å; F50-F184 HydrophobicContact CG-CB 4.04Å; F50-F184 HydrophobicContact CG-CD1 4.31Å; F50-F184 AromaticContact CG-CD2 3.58Å; F50-F184 HydrophobicContact CG-CD2 3.58Å; F50-F184 HydrophobicContact CG-CE2 4.08Å; F50-F184 AromaticContact CG-CG 3.72Å; F50-F184 HydrophobicContact CG-CG 3.72Å; F50-F184 HydrophobicContact CZ-CB 3.56Å; F50-F184 HydrophobicContact CZ-CG 4.17Å
51	L	95.3	Very high	86.3	Confident	43 Å²	43	56.1 Å²	56.1	23%	0.225	29%	0.292	C	S	.	.	H	α-helix	trans	-81.6	-42.2	-176.2	-64.5	179.7	0	0	0	112.9	L47 H48 K70 I83	L47-L51 HydrophobicContact CD1-CD1 3.63Å; L47-L51 HydrophobicContact CD1-CD2 4.45Å; L47-L51 HydrophobicContact CD1-CG 3.9Å; L47-L51 HydrophobicContact CD2-CD1 4.45Å; L47-L51 HydrophobicContact CG-CD1 3.8Å; L47-L51 HydrophobicContact CG-CG 4.34Å; L47-L51 WeakPolarHBondContact O-CB 3.49Å; L47-L51 VanDerWaalsContact O-CG 3.26Å; L47-L51 WeakPolarHBondContact O-CG 3.48Å; L47-L51 PolarHBondContact O-N 3.25Å; H48-L51 PolarHBondContact O-N 3.26Å; L51-K70 HydrophobicContact CD2-CB 3.74Å; L51-I83 HydrophobicContact CD2-CD1 4.38Å
52	E	93.3	Very high	84.6	Confident	107 Å²	107	57.7 Å²	57.7	50%	0.5	30%	0.302	S	S	.	.	H	α-helix	trans	-119.2	-4.3	-166.3	-56.7	-173.6	-174	0	0	113.6	H48 K54	H48-E52 WeakPolarHBondContact O-CA 3.47Å; H48-E52 WeakPolarHBondContact O-CB 3.41Å; H48-E52 PolarHBondContact O-N 3.03Å; E52-K54 HydrophobicContact CB-CB 4.41Å; E52-K54 PolarHBondContact O-N 3.05Å
53	H	92.7	Very high	83	Confident	120 Å²	120	63.6 Å²	63.6	56%	0.556	33%	0.329	S	S	*	.	S	Bend	trans	54.2	35.7	-172.7	-57.6	-84.1	0	0	0	112.5	Q49 E181	Q49-H53 VanDerWaalsContact O-CA 3.23Å; Q49-H53 WeakPolarHBondContact O-CA 3.06Å; Q49-H53 PolarHBondContact O-N 3.45Å; H53-E181 IonicContact CE1-OE2 2.73Å
54	K	89.3	Confident	81.7	Confident	139 Å²	139	65.1 Å²	65.1	60%	0.604	35%	0.347	S	S	*	.			trans	-134.2	135.3	179.9	-70.6	177.2	-175.8	174.9	0	112.2	H48 Q49 E52	H48-K54 CarbonylContact C-O 3.47Å; Q49-K54 PolarHBondContact N-O 2.99Å; Q49-K54 VanDerWaalsContact OE1-CA 3.24Å; Q49-K54 PolarHBondContact OE1-O 3.41Å; E52-K54 HydrophobicContact CB-CB 4.41Å; E52-K54 PolarHBondContact O-N 3.05Å
55	F	87.8	Confident	81.1	Confident	87 Å²	87	66.7 Å²	66.7	38%	0.382	35%	0.354	S	S	.	.			trans	-78.8	126.9	171.8	179.4	-111.5	0	0	0	110.8	C45 Q49 A57 A174 L175	C45-F55 HydrophobicContact CB-CD2 4.04Å; C45-F55 HydrophobicContact CB-CE2 3.75Å; Q49-F55 VanDerWaalsContact OE1-N 3.09Å; F55-A57 HydrophobicContact CD1-CB 4.21Å; F55-A57 HydrophobicContact CE1-CB 3.87Å; F55-A174 HydrophobicContact CD2-CB 4.24Å; F55-A174 WeakPolarHBondContact CD2-O 3.18Å; F55-A174 HydrophobicContact CE2-CB 4.32Å; F55-L175 HydrophobicContact CB-CD1 4.37Å; F55-L175 HydrophobicContact CD1-CD1 3.54Å; F55-L175 HydrophobicContact CD2-CB 4.35Å; F55-L175 HydrophobicContact CD2-CD1 4.39Å; F55-L175 HydrophobicContact CE1-CD1 3.83Å; F55-L175 HydrophobicContact CE2-CB 4.43Å; F55-L175 HydrophobicContact CG-CD1 3.84Å; F55-L175 HydrophobicContact CZ-CD1 4.36Å
56	K	81.5	Confident	80.8	Confident	77 Å²	77	68.9 Å²	68.9	34%	0.335	36%	0.363	S	S	.	.			trans	-95.3	96.9	175.5	-171.7	173.6	-178.3	177.5	0	109.8	C45 H48 E66	C45-K56 PolarHBondContact SG-O 3.24Å; C45-K56 VanDerWaalsContact SG-O 3.33Å; H48-K56 HydrophobicContact CB-CB 4.18Å; H48-K56 PolarHBondContact NE2-NZ 3.37Å; K56-E66 IonicContact NZ-OE2 3.82Å
57	A	72.4	Confident	80.4	Confident	77 Å²	77	73.6 Å²	73.6	64%	0.636	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-35.6	-178.4	0	0	0	0	0	113.3	F55 A59	F55-A57 HydrophobicContact CD1-CB 4.21Å; F55-A57 HydrophobicContact CE1-CB 3.87Å; A57-A59 PolarHBondContact O-N 3.24Å; A57-A59 VanDerWaalsContact O-N 3.08Å
58	D	64.2	Low	80.3	Confident	143 Å²	143	73.9 Å²	73.9	77%	0.765	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	22.5	-174.4	-62.7	-30.7	0	0	0	114.2	L60	D58-L60 PolarHBondContact O-N 3.31Å
59	A	60.6	Low	80.2	Confident	37 Å²	37	75.2 Å²	75.2	31%	0.306	40%	0.398	S	S	.	.			trans	-76.7	62.7	177.2	0	0	0	0	0	110.9	A57	A57-A59 PolarHBondContact O-N 3.24Å; A57-A59 VanDerWaalsContact O-N 3.08Å
60	L	60.1	Low	80.2	Confident	143 Å²	143	76.1 Å²	76.1	75%	0.749	40%	0.401	S	S	*	.			trans	-54.7	-58.8	-177.8	-79.2	159.6	0	0	0	110.3	D58	D58-L60 PolarHBondContact O-N 3.31Å
61	H	65.8	Low	79.9	Confident	121 Å²	121	79.1 Å²	79.1	56%	0.56	42%	0.42	S	S	*	.			trans	-159.2	139.3	170.4	-59.3	-66.4	0	0	0	111	S39 I63	S39-H61 PolarHBondContact OG-ND1 3.01Å; H61-I63 PolarHBondContact O-N 3.4Å
62	T	59.6	Low	79.9	Confident	34 Å²	34	77.7 Å²	77.7	21%	0.209	41%	0.413	C	S	.	.			trans	-79.9	107.6	173.2	-34.1	0	0	0	0	109.5	S44 G64 A87	S44-T62 PolarHBondContact OG-OG1 3.46Å; T62-G64 VanDerWaalsContact C-N 3.32Å; T62-G64 VanDerWaalsContact CG2-O 3.23Å; T62-G64 WeakPolarHBondContact CG2-O 3.3Å; T62-A87 WeakPolarHBondContact O-CB 3.43Å
63	I	59.7	Low	79.8	Confident	137 Å²	137	82 Å²	82	70%	0.703	42%	0.424	S	S	*	.	S	Bend	trans	-80.1	-18.7	177.5	-63.1	173.9	0	0	0	111.3	H61 F92	H61-I63 PolarHBondContact O-N 3.4Å; I63-F92 HydrophobicContact CG2-CZ 4.28Å
64	G	68.3	Low	79.7	Confident	40 Å²	40	76.5 Å²	76.5	41%	0.412	40%	0.399	S	S	.	.	S	Bend	trans	-129.1	-155.8	-179.9	0	0	0	0	0	113.1	T62	T62-G64 VanDerWaalsContact C-N 3.32Å; T62-G64 VanDerWaalsContact CG2-O 3.23Å; T62-G64 WeakPolarHBondContact CG2-O 3.3Å
65	I	79.5	Confident	79.6	Confident	43 Å²	43	76.5 Å²	76.5	22%	0.221	40%	0.401	C	S	.	.			trans	-115.2	127.7	175.2	-68.3	171.3	0	0	0	107.2	W84 D85 V95 Y99	I65-W84 HydrophobicContact CG2-CB 4.34Å; I65-W84 HydrophobicContact CG2-CE3 3.74Å; I65-D85 CarbonylContact C-O 3.6Å; I65-D85 VanDerWaalsContact CA-O 3.28Å; I65-D85 WeakPolarHBondContact CA-O 3.46Å; I65-D85 WeakPolarHBondContact CG2-O 3.47Å; I65-V95 HydrophobicContact CD1-CG1 3.81Å; I65-Y99 HydrophobicContact CD1-CD1 4.24Å; I65-Y99 HydrophobicContact CD1-CD2 3.26Å; I65-Y99 HydrophobicContact CD1-CE1 3.99Å; I65-Y99 HydrophobicContact CD1-CE2 2.98Å; I65-Y99 HydrophobicContact CD1-CG 3.9Å; I65-Y99 HydrophobicContact CG1-CE2 4.41Å; I65-Y99 HydrophobicContact CG2-CD1 4.36Å; I65-Y99 HydrophobicContact CG2-CE1 4.08Å
66	E	86.8	Confident	79.5	Confident	60 Å²	60	76.8 Å²	76.8	28%	0.28	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	134.7	177.4	-172.9	170.9	174.8	0	0	109.1	L47 H48 K56 D85	L47-E66 HydrophobicContact CD2-CG 4.36Å; H48-E66 IonicContact CD2-OE1 2.75Å; H48-E66 IonicContact CE1-OE1 3Å; H48-E66 PolarHBondContact CE1-OE1 3.35Å; H48-E66 VanDerWaalsContact CE1-OE1 3.24Å; H48-E66 VanDerWaalsContact NE2-CD 3.3Å; H48-E66 IonicContact NE2-OE1 2.89Å; H48-E66 PolarHBondContact NE2-OE1 3.44Å; H48-E66 IonicContact NE2-OE2 3.31Å; H48-E66 PolarHBondContact NE2-OE2 2.94Å; K56-E66 IonicContact NZ-OE2 3.82Å; E66-D85 HydrophobicContact CB-CB 4.23Å; E66-D85 PolarHBondContact N-O 2.97Å; E66-D85 PolarHBondContact O-N 3.3Å
67	F	89.3	Confident	79.8	Confident	98 Å²	98	75.8 Å²	75.8	43%	0.43	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.5	178.4	172.5	-98.8	0	0	0	109.8	Q82 W84	F67-Q82 HydrophobicContact CE2-CB 3.84Å; F67-Q82 HydrophobicContact CE2-CG 3.9Å; F67-Q82 HydrophobicContact CZ-CB 4.37Å; F67-Q82 HydrophobicContact CZ-CG 3.97Å; F67-W84 HydrophobicContact CB-CE3 4.25Å; F67-W84 HydrophobicContact CB-CZ3 4.18Å; F67-W84 AromaticContact CD2-CD2 3.91Å; F67-W84 HydrophobicContact CD2-CD2 3.91Å; F67-W84 AromaticContact CD2-CE2 3.7Å; F67-W84 HydrophobicContact CD2-CE3 4.09Å; F67-W84 AromaticContact CD2-CH2 3.97Å; F67-W84 HydrophobicContact CD2-CH2 3.97Å; F67-W84 AromaticContact CD2-CZ2 3.75Å; F67-W84 HydrophobicContact CD2-CZ2 3.75Å; F67-W84 HydrophobicContact CD2-CZ3 4.12Å; F67-W84 HydrophobicContact CE2-CZ2 4.03Å; F67-W84 HydrophobicContact CG-CZ3 4.5Å
68	G	92.2	Very high	80.5	Confident	6 Å²	6	73 Å²	73	6%	0.062	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	153.3	173.3	0	0	0	0	0	111.7	I83	G68-I83 PolarHBondContact N-O 2.93Å; G68-I83 PolarHBondContact O-N 3.26Å
69	S	93.3	Very high	81.8	Confident	45 Å²	45	66.2 Å²	66.2	32%	0.315	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	137.7	171	-166.9	0	0	0	0	111.8	K80 L81	S69-K80 WeakPolarHBondContact OG-CE 3.39Å; S69-K80 WeakPolarHBondContact OG-CG 3.21Å; S69-L81 WeakPolarHBondContact CA-O 3.43Å; S69-L81 WeakPolarHBondContact CB-O 3.46Å; S69-L81 PolarHBondContact OG-O 2.82Å
70	K	94.5	Very high	83.3	Confident	40 Å²	40	66.8 Å²	66.8	17%	0.174	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	133.7	176.1	-168.9	173.4	-173.4	179.5	0	108.6	F50 L51 V72 L81	F50-K70 HydrophobicContact CD1-CD 4.19Å; F50-K70 HydrophobicContact CE1-CB 4.03Å; F50-K70 HydrophobicContact CE1-CD 3.67Å; F50-K70 HydrophobicContact CE1-CG 4.41Å; F50-K70 HydrophobicContact CE2-CD 4.21Å; F50-K70 HydrophobicContact CZ-CD 3.7Å; F50-K70 PolarHBondContact O-NZ 2.84Å; L51-K70 HydrophobicContact CD2-CB 3.74Å; K70-V72 HydrophobicContact CD-CG1 4.36Å; K70-V72 HydrophobicContact CG-CG1 4.19Å; K70-L81 PolarHBondContact N-O 3.3Å; K70-L81 PolarHBondContact O-N 2.91Å
71	V	92.6	Very high	85	Confident	65 Å²	65	60 Å²	60	39%	0.394	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	123.1	168.5	180	0	0	0	0	107.3	V27 S78 V79 K80	V27-V71 HydrophobicContact CG2-CG2 4.27Å; V71-S78 WeakPolarHBondContact CG1-OG 3.5Å; V71-V79 CarbonylContact C-O 3.53Å; V71-V79 WeakPolarHBondContact CA-O 3.48Å; V71-K80 HydrophobicContact CG2-CB 4.2Å; V71-K80 HydrophobicContact CG2-CG 4.2Å
72	V	94.1	Very high	86.4	Confident	12 Å²	12	56.6 Å²	56.6	7%	0.073	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	155.4	176.5	-59	0	0	0	0	109.4	F50 K70 I74 V79 L81 L185	F50-V72 HydrophobicContact CZ-CG1 4.11Å; K70-V72 HydrophobicContact CD-CG1 4.36Å; K70-V72 HydrophobicContact CG-CG1 4.19Å; V72-I74 HydrophobicContact CG2-CD1 4.36Å; V72-I74 HydrophobicContact CG2-CG1 4.24Å; V72-V79 HydrophobicContact CG2-CB 4.08Å; V72-V79 PolarHBondContact N-O 3.22Å; V72-V79 PolarHBondContact O-N 3.19Å; V72-L81 HydrophobicContact CG1-CD1 4.02Å; V72-L81 HydrophobicContact CG2-CD1 3.99Å; V72-L81 HydrophobicContact CG2-CD2 4.36Å; V72-L81 HydrophobicContact CG2-CG 4Å; V72-L185 HydrophobicContact CB-CD2 3.87Å; V72-L185 HydrophobicContact CG1-CD2 3.77Å; V72-L185 HydrophobicContact CG2-CD2 4.21Å
73	R	91.4	Very high	88.1	Confident	197 Å²	197	55 Å²	55	74%	0.743	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.8	175.3	-168.3	173.7	-176.9	145.5	4	109.3	Q75 K77	R73-Q75 WeakPolarHBondContact CG-O 3.42Å; R73-Q75 PolarHBondContact NE-O 2.9Å; R73-K77 WeakPolarHBondContact CA-O 3.35Å
74	I	90.1	Very high	89.7	Confident	6 Å²	6	51.3 Å²	51.3	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	108.9	175.4	-59.1	-179	0	0	0	106	V72 D76 K77 V79 A188 Q189 M192	V72-I74 HydrophobicContact CG2-CD1 4.36Å; V72-I74 HydrophobicContact CG2-CG1 4.24Å; I74-D76 PolarHBondContact O-N 3.29Å; I74-K77 PolarHBondContact N-O 2.78Å; I74-K77 PolarHBondContact O-N 3.49Å; I74-V79 HydrophobicContact CB-CG2 4.31Å; I74-V79 HydrophobicContact CD1-CB 4.46Å; I74-V79 HydrophobicContact CD1-CG2 4.02Å; I74-V79 HydrophobicContact CG1-CG2 4.19Å; I74-A188 VanDerWaalsContact CD1-C 3.49Å; I74-A188 HydrophobicContact CD1-CB 3.52Å; I74-Q189 HydrophobicContact CD1-CG 4.32Å; I74-Q189 HydrophobicContact CG1-CG 4.45Å; I74-Q189 HydrophobicContact CG2-CG 3.99Å; I74-M192 HydrophobicContact CG2-CB 4.2Å; I74-M192 HydrophobicContact CG2-CG 4.17Å
75	Q	87.3	Confident	90.7	Very high	139 Å²	139	49.4 Å²	49.4	65%	0.65	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	-120.1	-171	-52.3	176.5	7.6	0	0	111.5	R73	R73-Q75 WeakPolarHBondContact CG-O 3.42Å; R73-Q75 PolarHBondContact NE-O 2.9Å
76	D	86.6	Confident	90.9	Very high	93 Å²	93	47.4 Å²	47.4	50%	0.497	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-0.2	176.2	72.4	-41.6	0	0	0	113.5	I74	I74-D76 PolarHBondContact O-N 3.29Å
77	K	87	Confident	90.5	Very high	56 Å²	56	44.6 Å²	44.6	24%	0.243	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	140.2	-175.8	-51.5	-54	-179.8	-152.5	0	113.2	D28 Y29 R73 I74 M192	D28-K77 HydrophobicContact CB-CB 4.47Å; D28-K77 WeakPolarHBondContact OD2-CA 3.2Å; Y29-K77 HydrophobicContact CD2-CB 4.22Å; Y29-K77 HydrophobicContact CE2-CB 4.18Å; Y29-K77 HydrophobicContact CE2-CD 4.22Å; Y29-K77 HydrophobicContact CE2-CG 3.98Å; R73-K77 WeakPolarHBondContact CA-O 3.35Å; I74-K77 PolarHBondContact N-O 2.78Å; I74-K77 PolarHBondContact O-N 3.49Å; K77-M192 HydrophobicContact CB-CE 4.21Å
78	S	88.3	Confident	89.6	Confident	18 Å²	18	40.3 Å²	40.3	13%	0.126	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	119.5	171.5	-178.5	0	0	0	0	109.9	I26 D28 Y29 V71	I26-S78 WeakPolarHBondContact O-CB 3.41Å; I26-S78 PolarHBondContact O-OG 3.06Å; D28-S78 PolarHBondContact N-O 3.17Å; D28-S78 PolarHBondContact OD2-N 3.03Å; Y29-S78 PolarHBondContact N-O 3.26Å; V71-S78 WeakPolarHBondContact CG1-OG 3.5Å
79	V	90.9	Very high	88.6	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121	-175.3	-174.3	0	0	0	0	109.6	Y29 F31 V71 V72 I74 L81 M192	Y29-V79 CarbonylContact O-C 3.58Å; Y29-V79 WeakPolarHBondContact O-CA 3.34Å; F31-V79 HydrophobicContact CB-CG1 4.37Å; F31-V79 HydrophobicContact CD1-CG1 4.31Å; F31-V79 HydrophobicContact CD2-CG1 3.42Å; F31-V79 VanDerWaalsContact CD2-CG1 3.42Å; F31-V79 HydrophobicContact CE1-CG1 4.45Å; F31-V79 HydrophobicContact CE2-CG1 3.62Å; F31-V79 HydrophobicContact CE2-CG2 4.49Å; F31-V79 HydrophobicContact CG-CG1 3.78Å; F31-V79 HydrophobicContact CZ-CG1 4.15Å; V71-V79 CarbonylContact C-O 3.53Å; V71-V79 WeakPolarHBondContact CA-O 3.48Å; V72-V79 HydrophobicContact CG2-CB 4.08Å; V72-V79 PolarHBondContact N-O 3.22Å; V72-V79 PolarHBondContact O-N 3.19Å; I74-V79 HydrophobicContact CB-CG2 4.31Å; I74-V79 HydrophobicContact CD1-CB 4.46Å; I74-V79 HydrophobicContact CD1-CG2 4.02Å; I74-V79 HydrophobicContact CG1-CG2 4.19Å; V79-L81 HydrophobicContact CG1-CD2 3.9Å; V79-M192 HydrophobicContact CG2-CE 3.27Å
80	K	92.9	Very high	87.1	Confident	49 Å²	49	48 Å²	48	21%	0.213	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	115.7	170.8	-173.9	172.1	-174.6	174.6	0	109.5	V27 Y29 L30 F31 S69 V71	V27-K80 HydrophobicContact CG1-CB 3.61Å; V27-K80 HydrophobicContact CG2-CB 4.23Å; Y29-K80 PolarHBondContact O-N 3.41Å; L30-K80 WeakPolarHBondContact CA-O 3.47Å; L30-K80 HydrophobicContact CD1-CB 3.82Å; L30-K80 HydrophobicContact CD1-CD 3.94Å; L30-K80 HydrophobicContact CD1-CG 3.86Å; F31-K80 PolarHBondContact N-O 2.92Å; S69-K80 WeakPolarHBondContact OG-CE 3.39Å; S69-K80 WeakPolarHBondContact OG-CG 3.21Å; V71-K80 HydrophobicContact CG2-CB 4.2Å; V71-K80 HydrophobicContact CG2-CG 4.2Å
81	L	95	Very high	85.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.5	171	-54.3	-176.7	0	0	0	109	F31 L33 F50 S69 K70 V72 V79 I83 A188	F31-L81 HydrophobicContact CB-CD2 3.92Å; F31-L81 HydrophobicContact CD2-CD2 4.15Å; F31-L81 HydrophobicContact CG-CD2 4.49Å; F31-L81 CarbonylContact O-C 3.42Å; F31-L81 WeakPolarHBondContact O-CA 3.39Å; L33-L81 HydrophobicContact CD1-CD1 4.15Å; L33-L81 HydrophobicContact CD1-CD2 4.26Å; F50-L81 HydrophobicContact CE1-CD1 4.04Å; F50-L81 HydrophobicContact CZ-CD1 3.94Å; S69-L81 WeakPolarHBondContact CA-O 3.43Å; S69-L81 WeakPolarHBondContact CB-O 3.46Å; S69-L81 PolarHBondContact OG-O 2.82Å; K70-L81 PolarHBondContact N-O 3.3Å; K70-L81 PolarHBondContact O-N 2.91Å; V72-L81 HydrophobicContact CG1-CD1 4.02Å; V72-L81 HydrophobicContact CG2-CD1 3.99Å; V72-L81 HydrophobicContact CG2-CD2 4.36Å; V72-L81 HydrophobicContact CG2-CG 4Å; V79-L81 HydrophobicContact CG1-CD2 3.9Å; L81-I83 HydrophobicContact CB-CD1 4.31Å; L81-I83 HydrophobicContact CB-CG1 4.09Å; L81-A188 HydrophobicContact CD1-CB 4.32Å; L81-A188 HydrophobicContact CD2-CB 3.83Å
82	Q	94.6	Very high	85	Confident	50 Å²	50	54.4 Å²	54.4	23%	0.234	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	103.6	170	-78.2	-171.8	-24.3	0	0	107.7	L30 F31 K32 L33 F67	L30-Q82 HydrophobicContact CD1-CG 3.71Å; L30-Q82 HydrophobicContact CG-CG 4.39Å; F31-Q82 PolarHBondContact O-N 3.16Å; K32-Q82 CarbonylContact C-O 3.59Å; K32-Q82 WeakPolarHBondContact CA-O 3.47Å; L33-Q82 PolarHBondContact N-O 2.94Å; F67-Q82 HydrophobicContact CE2-CB 3.84Å; F67-Q82 HydrophobicContact CE2-CG 3.9Å; F67-Q82 HydrophobicContact CZ-CB 4.37Å; F67-Q82 HydrophobicContact CZ-CG 3.97Å
83	I	95.1	Very high	83.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.1	-170.4	-48.7	172.4	0	0	0	108.3	L33 V35 L47 F50 L51 G68 L81 F184	L33-I83 HydrophobicContact CB-CG1 4.26Å; L33-I83 HydrophobicContact CB-CG2 4.41Å; L33-I83 HydrophobicContact CD1-CG1 4.32Å; L33-I83 WeakPolarHBondContact O-CA 3.44Å; V35-I83 HydrophobicContact CG2-CG2 3.54Å; L47-I83 HydrophobicContact CD1-CB 3.78Å; L47-I83 HydrophobicContact CD1-CD1 4.01Å; L47-I83 HydrophobicContact CD1-CG1 4.5Å; L47-I83 HydrophobicContact CD1-CG2 3.58Å; F50-I83 HydrophobicContact CD1-CD1 3.6Å; F50-I83 HydrophobicContact CE1-CD1 3.59Å; L51-I83 HydrophobicContact CD2-CD1 4.38Å; G68-I83 PolarHBondContact N-O 2.93Å; G68-I83 PolarHBondContact O-N 3.26Å; L81-I83 HydrophobicContact CB-CD1 4.31Å; L81-I83 HydrophobicContact CB-CG1 4.09Å; I83-F184 HydrophobicContact CD1-CD1 3.91Å; I83-F184 HydrophobicContact CD1-CE1 3.92Å; I83-F184 HydrophobicContact CG2-CE1 4.04Å
84	W	93.4	Very high	82.8	Confident	61 Å²	61	50.3 Å²	50.3	23%	0.231	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	106.9	176.7	-56.6	80.2	0	0	0	108.7	L33 L34 V35 I65 F67 Y99	L33-W84 PolarHBondContact O-N 3.27Å; L34-W84 HydrophobicContact CD2-CB 3.66Å; L34-W84 HydrophobicContact CD2-CG 4.09Å; V35-W84 PolarHBondContact N-O 3.03Å; I65-W84 HydrophobicContact CG2-CB 4.34Å; I65-W84 HydrophobicContact CG2-CE3 3.74Å; F67-W84 HydrophobicContact CB-CE3 4.25Å; F67-W84 HydrophobicContact CB-CZ3 4.18Å; F67-W84 AromaticContact CD2-CD2 3.91Å; F67-W84 HydrophobicContact CD2-CD2 3.91Å; F67-W84 AromaticContact CD2-CE2 3.7Å; F67-W84 HydrophobicContact CD2-CE3 4.09Å; F67-W84 AromaticContact CD2-CH2 3.97Å; F67-W84 HydrophobicContact CD2-CH2 3.97Å; F67-W84 AromaticContact CD2-CZ2 3.75Å; F67-W84 HydrophobicContact CD2-CZ2 3.75Å; F67-W84 HydrophobicContact CD2-CZ3 4.12Å; F67-W84 HydrophobicContact CE2-CZ2 4.03Å; F67-W84 HydrophobicContact CG-CZ3 4.5Å; W84-Y99 AromaticContact CD2-CD1 3.9Å; W84-Y99 HydrophobicContact CD2-CD1 3.9Å; W84-Y99 HydrophobicContact CD2-CE1 4.23Å; W84-Y99 AromaticContact CE3-CD1 3.63Å; W84-Y99 HydrophobicContact CE3-CD1 3.63Å; W84-Y99 AromaticContact CE3-CE1 3.52Å; W84-Y99 HydrophobicContact CE3-CE1 3.52Å; W84-Y99 HydrophobicContact CG-CD1 4.36Å; W84-Y99 HydrophobicContact CH2-CE1 4.3Å; W84-Y99 HydrophobicContact CZ3-CD1 4.09Å; W84-Y99 AromaticContact CZ3-CE1 3.57Å; W84-Y99 HydrophobicContact CZ3-CE1 3.57Å
85	D	89.8	Confident	81.8	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	125.9	169.9	173.7	40.1	0	0	0	109.5	K43 S44 L47 I65 E66	K43-D85 WeakPolarHBondContact CB-OD1 3.39Å; S44-D85 WeakPolarHBondContact CA-OD2 3.48Å; S44-D85 VanDerWaalsContact CB-OD2 3.27Å; S44-D85 WeakPolarHBondContact CB-OD2 3.36Å; S44-D85 PolarHBondContact OG-OD2 3.4Å; L47-D85 HydrophobicContact CD2-CB 3.6Å; I65-D85 CarbonylContact C-O 3.6Å; I65-D85 VanDerWaalsContact CA-O 3.28Å; I65-D85 WeakPolarHBondContact CA-O 3.46Å; I65-D85 WeakPolarHBondContact CG2-O 3.47Å; E66-D85 HydrophobicContact CB-CB 4.23Å; E66-D85 PolarHBondContact N-O 2.97Å; E66-D85 PolarHBondContact O-N 3.3Å
86	T	83.4	Confident	81.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.224	C	C	.	.			trans	-108.9	149.4	-170.2	69.1	0	0	0	0	111.8	V35 I36 K43 G88 T96	V35-T86 PolarHBondContact O-N 3.29Å; V35-T86 PolarHBondContact O-OG1 3.36Å; I36-T86 HydrophobicContact CG2-CG2 4.47Å; K43-T86 WeakPolarHBondContact CE-O 3.27Å; T86-G88 PolarHBondContact O-N 2.78Å; T86-T96 HydrophobicContact CG2-CG2 3.81Å
87	A	79.5	Confident	80.8	Confident	2 Å²	2	47.7 Å²	47.7	2%	0.017	22%	0.22	C	C	.	.			trans	-64.1	128.2	172	0	0	0	0	0	110.2	T62 Q89 F92	T62-A87 WeakPolarHBondContact O-CB 3.43Å; A87-Q89 VanDerWaalsContact C-N 3.32Å; A87-F92 HydrophobicContact CB-CB 3.77Å; A87-F92 HydrophobicContact CB-CD2 3.74Å; A87-F92 HydrophobicContact CB-CG 4.05Å
88	G	70.7	Confident	80.5	Confident	7 Å²	7	51 Å²	51	7%	0.072	24%	0.241	C	C	.	.			trans	-87.3	3	-179.4	0	0	0	0	0	114.7	G37 S39 T86	G37-G88 WeakPolarHBondContact O-CA 3.29Å; S39-G88 PolarHBondContact N-O 2.77Å; S39-G88 VanDerWaalsContact N-O 3.13Å; T86-G88 PolarHBondContact O-N 2.78Å
89	Q	70.8	Confident	80.3	Confident	76 Å²	76	53.4 Å²	53.4	36%	0.355	25%	0.248	S	C	.	.	S	Bend	trans	-87.3	138.2	179.8	-62.3	-72.5	14.1	0	0	110.7	S39 A87 R91 F92	S39-Q89 PolarHBondContact OG-NE2 3.18Å; A87-Q89 VanDerWaalsContact C-N 3.32Å; Q89-R91 VanDerWaalsContact C-N 3.27Å; Q89-R91 HydrophobicContact CB-CG 4.14Å; Q89-R91 PolarHBondContact O-N 3.47Å; Q89-F92 HydrophobicContact CB-CD2 3.85Å; Q89-F92 HydrophobicContact CB-CE2 4.32Å; Q89-F92 HydrophobicContact CG-CD2 4.49Å; Q89-F92 PolarHBondContact O-N 3.1Å
90	E	61.7	Low	80.2	Confident	136 Å²	136	53.4 Å²	53.4	64%	0.636	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-56.2	-40.2	-176.8	-168.9	-82.8	168	0	0	112.6	F92 R93	E90-F92 PolarHBondContact O-N 3.36Å; E90-R93 WeakPolarHBondContact O-CB 3.28Å; E90-R93 PolarHBondContact O-N 3.48Å
91	R	69.4	Low	79.9	Confident	193 Å²	193	60.1 Å²	60.1	73%	0.728	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-58.7	-18.2	176.9	68.5	-177.6	-67.3	-171.3	-0.3	115.3	Q89	Q89-R91 VanDerWaalsContact C-N 3.27Å; Q89-R91 HydrophobicContact CB-CG 4.14Å; Q89-R91 PolarHBondContact O-N 3.47Å
92	F	72.1	Confident	79.5	Confident	48 Å²	48	61.1 Å²	61.1	21%	0.211	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-103.9	1.9	177.6	-60.6	-56.9	0	0	0	113	I63 A87 Q89 E90 S94 V95 T96	I63-F92 HydrophobicContact CG2-CZ 4.28Å; A87-F92 HydrophobicContact CB-CB 3.77Å; A87-F92 HydrophobicContact CB-CD2 3.74Å; A87-F92 HydrophobicContact CB-CG 4.05Å; Q89-F92 HydrophobicContact CB-CD2 3.85Å; Q89-F92 HydrophobicContact CB-CE2 4.32Å; Q89-F92 HydrophobicContact CG-CD2 4.49Å; Q89-F92 PolarHBondContact O-N 3.1Å; E90-F92 PolarHBondContact O-N 3.36Å; F92-S94 VanDerWaalsContact C-N 3.27Å; F92-S94 PolarHBondContact O-N 2.83Å; F92-V95 WeakPolarHBondContact O-CA 3.14Å; F92-V95 WeakPolarHBondContact O-CB 3.26Å; F92-V95 PolarHBondContact O-N 3.03Å; F92-T96 PolarHBondContact O-N 3.03Å; F92-T96 PolarHBondContact O-OG1 3.46Å
93	R	70.2	Confident	79.4	Confident	42 Å²	42	58.7 Å²	58.7	16%	0.158	27%	0.271	C	S	.	.	H	α-helix	trans	-60.5	-33.7	-174.3	-169.4	174.5	-179.4	-166.7	-0.8	113.2	E90 V95 T96 R97 D127	E90-R93 WeakPolarHBondContact O-CB 3.28Å; E90-R93 PolarHBondContact O-N 3.48Å; R93-V95 VanDerWaalsContact C-N 3.29Å; R93-V95 PolarHBondContact O-N 3.23Å; R93-T96 PolarHBondContact O-N 2.98Å; R93-R97 VanDerWaalsContact O-CG 3.31Å; R93-R97 WeakPolarHBondContact O-CG 3.47Å; R93-R97 PolarHBondContact O-N 2.84Å; R93-D127 IonicContact CZ-OD2 2.76Å; R93-D127 IonicContact NE-OD2 3.48Å; R93-D127 PolarHBondContact NE-OD2 3.03Å; R93-D127 IonicContact NH2-OD1 2.7Å; R93-D127 PolarHBondContact NH2-OD1 3.47Å; R93-D127 IonicContact NH2-OD2 3.57Å; R93-D127 PolarHBondContact NH2-OD2 3.12Å
94	S	69.9	Low	79.4	Confident	81 Å²	81	58.8 Å²	58.8	57%	0.566	27%	0.271	S	S	*	.	H	α-helix	trans	-61.2	-38.3	174.3	55.4	0	0	0	0	112.3	F92	F92-S94 VanDerWaalsContact C-N 3.27Å; F92-S94 PolarHBondContact O-N 2.83Å
95	V	68.6	Low	79.5	Confident	66 Å²	66	55.9 Å²	55.9	40%	0.4	26%	0.26	S	S	.	.	H	α-helix	trans	-67.7	-48.1	174.3	-176.4	0	0	0	0	109.2	I65 F92 R93 R97 N98 Y99	I65-V95 HydrophobicContact CD1-CG1 3.81Å; F92-V95 WeakPolarHBondContact O-CA 3.14Å; F92-V95 WeakPolarHBondContact O-CB 3.26Å; F92-V95 PolarHBondContact O-N 3.03Å; R93-V95 VanDerWaalsContact C-N 3.29Å; R93-V95 PolarHBondContact O-N 3.23Å; V95-R97 VanDerWaalsContact C-N 3.27Å; V95-R97 PolarHBondContact O-N 2.79Å; V95-N98 PolarHBondContact O-N 2.84Å; V95-N98 VanDerWaalsContact O-N 3.13Å; V95-Y99 HydrophobicContact CG1-CE2 4Å; V95-Y99 WeakPolarHBondContact O-CD2 3.38Å
96	T	74.5	Confident	79.8	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-56.3	-39.7	179	-50.6	0	0	0	0	112.5	T86 F92 R93 N98 Y99 Y100 W124	T86-T96 HydrophobicContact CG2-CG2 3.81Å; F92-T96 PolarHBondContact O-N 3.03Å; F92-T96 PolarHBondContact O-OG1 3.46Å; R93-T96 PolarHBondContact O-N 2.98Å; T96-N98 PolarHBondContact O-N 2.9Å; T96-Y99 PolarHBondContact O-N 2.99Å; T96-Y100 HydrophobicContact CG2-CE2 3.85Å; T96-Y100 VanDerWaalsContact O-CD2 3.24Å; T96-Y100 WeakPolarHBondContact O-CD2 3.35Å; T96-W124 HydrophobicContact CG2-CZ3 4.23Å
97	R	78.2	Confident	80.5	Confident	115 Å²	115	55.9 Å²	55.9	43%	0.434	26%	0.26	S	S	.	.	H	α-helix	trans	-54.6	-35.5	177.8	-77.8	-177.7	173.5	-179.9	-4.6	113.9	R93 V95 Y99 Y100 D127 L131	R93-R97 VanDerWaalsContact O-CG 3.31Å; R93-R97 WeakPolarHBondContact O-CG 3.47Å; R93-R97 PolarHBondContact O-N 2.84Å; V95-R97 VanDerWaalsContact C-N 3.27Å; V95-R97 PolarHBondContact O-N 2.79Å; R97-Y99 PolarHBondContact O-N 2.91Å; R97-Y100 PolarHBondContact O-N 2.8Å; R97-D127 IonicContact NH2-OD1 3.56Å; R97-L131 HydrophobicContact CB-CD1 4.06Å; R97-L131 HydrophobicContact CG-CD1 3.6Å
98	N	81.6	Confident	81.4	Confident	127 Å²	127	55.8 Å²	55.8	68%	0.679	26%	0.26	S	S	*	.	H	α-helix	trans	-67.9	-22.3	179	-68.5	-25.4	0	0	0	113	V95 T96	V95-N98 PolarHBondContact O-N 2.84Å; V95-N98 VanDerWaalsContact O-N 3.13Å; T96-N98 PolarHBondContact O-N 2.9Å
99	Y	84.9	Confident	82.7	Confident	68 Å²	68	55.5 Å²	55.5	27%	0.267	26%	0.256	S	S	.	.	H	α-helix	trans	-87.5	-18.8	-177.6	-67.9	-97.8	0	0	0	113	K32 I65 W84 V95 T96 R97 R101	K32-Y99 WeakPolarHBondContact CE-O 3.44Å; K32-Y99 PolarHBondContact NZ-O 3.05Å; I65-Y99 HydrophobicContact CD1-CD1 4.24Å; I65-Y99 HydrophobicContact CD1-CD2 3.26Å; I65-Y99 HydrophobicContact CD1-CE1 3.99Å; I65-Y99 HydrophobicContact CD1-CE2 2.98Å; I65-Y99 HydrophobicContact CD1-CG 3.9Å; I65-Y99 HydrophobicContact CG1-CE2 4.41Å; I65-Y99 HydrophobicContact CG2-CD1 4.36Å; I65-Y99 HydrophobicContact CG2-CE1 4.08Å; W84-Y99 AromaticContact CD2-CD1 3.9Å; W84-Y99 HydrophobicContact CD2-CD1 3.9Å; W84-Y99 HydrophobicContact CD2-CE1 4.23Å; W84-Y99 AromaticContact CE3-CD1 3.63Å; W84-Y99 HydrophobicContact CE3-CD1 3.63Å; W84-Y99 AromaticContact CE3-CE1 3.52Å; W84-Y99 HydrophobicContact CE3-CE1 3.52Å; W84-Y99 HydrophobicContact CG-CD1 4.36Å; W84-Y99 HydrophobicContact CH2-CE1 4.3Å; W84-Y99 HydrophobicContact CZ3-CD1 4.09Å; W84-Y99 AromaticContact CZ3-CE1 3.57Å; W84-Y99 HydrophobicContact CZ3-CE1 3.57Å; V95-Y99 HydrophobicContact CG1-CE2 4Å; V95-Y99 WeakPolarHBondContact O-CD2 3.38Å; T96-Y99 PolarHBondContact O-N 2.99Å; R97-Y99 PolarHBondContact O-N 2.91Å; Y99-R101 VanDerWaalsContact C-N 3.25Å; Y99-R101 PolarHBondContact O-N 3.2Å
100	Y	88	Confident	84	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-55.6	-39.5	174.4	-77.3	-88.5	0	0	0	113.1	L34 I36 T96 R97 G102 A103 D127 A128 L131 A132	L34-Y100 VanDerWaalsContact CD1-CA 3.46Å; L34-Y100 HydrophobicContact CD1-CD1 3.86Å; L34-Y100 HydrophobicContact CD1-CE1 4.35Å; L34-Y100 HydrophobicContact CD1-CG 4Å; I36-Y100 HydrophobicContact CD1-CE1 4.13Å; I36-Y100 HydrophobicContact CG2-CE1 4.38Å; T96-Y100 HydrophobicContact CG2-CE2 3.85Å; T96-Y100 VanDerWaalsContact O-CD2 3.24Å; T96-Y100 WeakPolarHBondContact O-CD2 3.35Å; R97-Y100 PolarHBondContact O-N 2.8Å; Y100-G102 PolarHBondContact O-N 3.44Å; Y100-G102 VanDerWaalsContact O-N 3.16Å; Y100-A103 VanDerWaalsContact O-CB 3.28Å; Y100-A103 WeakPolarHBondContact O-CB 3.28Å; Y100-A103 PolarHBondContact O-N 2.95Å; Y100-D127 HydrophobicContact CE1-CB 4.32Å; Y100-D127 HydrophobicContact CE2-CB 4.4Å; Y100-A128 HydrophobicContact CD1-CB 4.29Å; Y100-A128 HydrophobicContact CE1-CB 3.76Å; Y100-L131 VanDerWaalsContact CB-CB 3.43Å; Y100-L131 HydrophobicContact CD1-CB 4.36Å; Y100-L131 HydrophobicContact CD2-CB 4.5Å; Y100-L131 HydrophobicContact CD2-CD1 4.17Å; Y100-L131 HydrophobicContact CG-CB 3.87Å; Y100-L131 HydrophobicContact CG-CD1 4.33Å; Y100-A132 HydrophobicContact CD1-CB 4.42Å; Y100-A132 VanDerWaalsContact O-CA 3.29Å; Y100-A132 WeakPolarHBondContact O-CA 3.35Å; Y100-A132 WeakPolarHBondContact O-CB 3.05Å
101	R	87.3	Confident	85.8	Confident	189 Å²	189	45.8 Å²	45.8	71%	0.713	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	123.2	-175.7	-164.5	-179.6	-149.8	134.6	5.6	111.7	K32 Y99 A103	K32-R101 PolarHBondContact NZ-O 3.08Å; Y99-R101 VanDerWaalsContact C-N 3.25Å; Y99-R101 PolarHBondContact O-N 3.2Å; R101-A103 PolarHBondContact O-N 3.2Å
102	G	86.5	Confident	87.2	Confident	21 Å²	21	36.6 Å²	36.6	22%	0.216	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	9	178.1	0	0	0	0	0	115.1	Y100 A104	Y100-G102 PolarHBondContact O-N 3.44Å; Y100-G102 VanDerWaalsContact O-N 3.16Å; G102-A104 PolarHBondContact O-N 2.85Å
103	A	92.5	Very high	88.4	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.174	C	C	.	.			trans	-65.9	125.3	169.1	0	0	0	0	0	109.8	K32 L34 Y100 R101 A132 S133	K32-A103 HydrophobicContact CG-CB 4.47Å; L34-A103 HydrophobicContact CD1-CB 3.57Å; L34-A103 HydrophobicContact CG-CB 3.67Å; Y100-A103 VanDerWaalsContact O-CB 3.28Å; Y100-A103 WeakPolarHBondContact O-CB 3.28Å; Y100-A103 PolarHBondContact O-N 2.95Å; R101-A103 PolarHBondContact O-N 3.2Å; A103-A132 HydrophobicContact CB-CB 4.25Å; A103-S133 WeakPolarHBondContact O-CB 3.34Å; A103-S133 PolarHBondContact O-N 3.5Å; A103-S133 PolarHBondContact O-OG 3.27Å
104	A	93.6	Very high	89.7	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.008	18%	0.176	C	C	.	.	S	Bend	trans	-84.2	-27.8	176	0	0	0	0	0	111.8	K32 G102 I136 V137 I191 Y200	K32-A104 PolarHBondContact O-N 2.83Å; G102-A104 PolarHBondContact O-N 2.85Å; A104-I136 WeakPolarHBondContact O-CA 3.02Å; A104-V137 PolarHBondContact O-N 3.02Å; A104-I191 HydrophobicContact CB-CD1 4.01Å; A104-I191 HydrophobicContact CB-CG1 4.47Å; A104-I191 HydrophobicContact CB-CG2 4.05Å; A104-Y200 WeakPolarHBondContact CA-OH 3.38Å; A104-Y200 HydrophobicContact CB-CE1 4.33Å; A104-Y200 HydrophobicContact CB-CE2 4.04Å; A104-Y200 VanDerWaalsContact CB-OH 3.25Å; A104-Y200 WeakPolarHBondContact CB-OH 3.26Å
105	G	96.2	Very high	91.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	160.1	171.6	0	0	0	0	0	114.2	K32 L33 L34 V137	K32-G105 PolarHBondContact O-N 2.84Å; L33-G105 WeakPolarHBondContact CA-O 3.33Å; L34-G105 PolarHBondContact N-O 3.18Å; G105-V137 CarbonylContact C-O 3.58Å; G105-V137 WeakPolarHBondContact CA-O 3.32Å
106	A	96.8	Very high	92.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	135.3	170.1	0	0	0	0	0	110.4	L34 I36 I136 V137 V138 V139	L34-A106 CarbonylContact O-C 3.6Å; L34-A106 WeakPolarHBondContact O-CA 3.47Å; I36-A106 HydrophobicContact CD1-CB 4.16Å; A106-I136 HydrophobicContact CB-CD1 3.66Å; A106-V137 PolarHBondContact N-O 2.92Å; A106-V138 HydrophobicContact CB-CG1 4.42Å; A106-V138 HydrophobicContact CB-CG2 4.35Å; A106-V138 WeakPolarHBondContact O-CA 3.45Å; A106-V139 PolarHBondContact O-N 3.07Å
107	I	98.2	Very high	93.5	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	105.2	166.9	-54.8	-55.7	0	0	0	106.4	L34 V35 I36 V109 V139 I141 F184 C187	L34-I107 PolarHBondContact O-N 2.99Å; V35-I107 WeakPolarHBondContact CA-O 3.4Å; V35-I107 HydrophobicContact CG1-CB 4.29Å; V35-I107 HydrophobicContact CG1-CG2 4.31Å; V35-I107 HydrophobicContact CG2-CB 4.39Å; I36-I107 PolarHBondContact N-O 3.31Å; I107-V109 HydrophobicContact CG2-CG2 3.84Å; I107-V139 HydrophobicContact CD1-CB 4.12Å; I107-I141 HydrophobicContact CG2-CD1 3.28Å; I107-I141 HydrophobicContact CG2-CG1 3.91Å; I107-F184 HydrophobicContact CD1-CD1 4.34Å; I107-F184 HydrophobicContact CG1-CD1 4.04Å; I107-F184 HydrophobicContact CG1-CE1 3.76Å; I107-F184 HydrophobicContact CG1-CZ 4.3Å; I107-C187 HydrophobicContact CD1-CB 3.78Å
108	L	98	Very high	94.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	116.4	-178.7	176.8	61.4	0	0	0	108.6	I36 L121 W124 L125 V138 V139 L140 I141 I167	I36-L108 HydrophobicContact CD1-CD1 4.06Å; I36-L108 HydrophobicContact CG1-CB 4.41Å; I36-L108 HydrophobicContact CG1-CD1 3.91Å; L108-L121 HydrophobicContact CD1-CD2 3.77Å; L108-L121 HydrophobicContact CD2-CD2 3.85Å; L108-L121 HydrophobicContact CG-CD2 3.56Å; L108-W124 HydrophobicContact CD1-CB 3.47Å; L108-W124 VanDerWaalsContact CD1-CB 3.47Å; L108-W124 HydrophobicContact CD1-CG 4.35Å; L108-L125 HydrophobicContact CD2-CB 3.98Å; L108-L125 HydrophobicContact CD2-CD1 4.37Å; L108-V138 HydrophobicContact CB-CG1 3.93Å; L108-V138 HydrophobicContact CD2-CG1 4.42Å; L108-V139 PolarHBondContact N-O 2.86Å; L108-L140 HydrophobicContact CB-CD1 4.39Å; L108-L140 HydrophobicContact CD2-CD1 4.07Å; L108-L140 HydrophobicContact CG-CD1 3.93Å; L108-L140 CarbonylContact O-C 3.57Å; L108-L140 WeakPolarHBondContact O-CA 3.3Å; L108-L140 WeakPolarHBondContact O-CD1 3.19Å; L108-I141 PolarHBondContact O-N 2.98Å; L108-I167 HydrophobicContact CD2-CD1 4.31Å
109	V	98.2	Very high	95.3	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.7	-168.5	-170.5	0	0	0	0	111.3	V35 I36 K43 L46 I107 I141 N143	V35-V109 HydrophobicContact CG1-CG2 3.78Å; I36-V109 PolarHBondContact O-N 3.32Å; K43-V109 HydrophobicContact CG-CB 4.04Å; K43-V109 HydrophobicContact CG-CG1 4.5Å; K43-V109 HydrophobicContact CG-CG2 4.12Å; L46-V109 HydrophobicContact CD1-CB 4.42Å; L46-V109 HydrophobicContact CD1-CG1 3.65Å; L46-V109 HydrophobicContact CD1-CG2 3.81Å; I107-V109 HydrophobicContact CG2-CG2 3.84Å; V109-I141 WeakPolarHBondContact CA-O 3.35Å; V109-N143 HydrophobicContact CG1-CB 3.93Å
110	Y	98.4	Very high	95.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	167.4	161.6	77.8	-76.6	0	0	0	110.4	V112 Y118 L121 L140 I141 N143 V153 A158 F169	Y110-V112 HydrophobicContact CE2-CG1 4.06Å; Y110-Y118 HydrophobicContact CD2-CD2 4.33Å; Y110-Y118 HydrophobicContact CE2-CD2 4.39Å; Y110-L121 HydrophobicContact CD1-CD1 3.94Å; Y110-L121 HydrophobicContact CD1-CD2 4.41Å; Y110-L121 HydrophobicContact CG-CD1 4.13Å; Y110-L140 HydrophobicContact CD1-CD1 3.73Å; Y110-L140 HydrophobicContact CD1-CG 4.24Å; Y110-L140 HydrophobicContact CE1-CD1 4.11Å; Y110-L140 HydrophobicContact CE1-CD2 4.28Å; Y110-L140 HydrophobicContact CE1-CG 4.11Å; Y110-I141 WeakPolarHBondContact CD1-O 3.48Å; Y110-I141 PolarHBondContact N-O 3.33Å; Y110-N143 PolarHBondContact O-N 3.36Å; Y110-V153 HydrophobicContact CD2-CG2 4.49Å; Y110-V153 HydrophobicContact CE2-CB 3.93Å; Y110-V153 HydrophobicContact CE2-CG1 3.77Å; Y110-V153 HydrophobicContact CE2-CG2 4.31Å; Y110-A158 HydrophobicContact CE1-CB 3.96Å; Y110-A158 WeakPolarHBondContact OH-CB 3.5Å; Y110-F169 HydrophobicContact CE1-CE2 4.09Å
111	D	98	Very high	96.2	Very high	9 Å²	9	30.6 Å²	30.6	5%	0.048	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.8	174.5	172.5	5.9	0	0	0	109.1	T41 T113 S114 S117 K144	T41-D111 HydrophobicContact CG2-CB 4.22Å; D111-T113 PolarHBondContact O-N 3.46Å; D111-T113 VanDerWaalsContact O-N 3.14Å; D111-T113 PolarHBondContact OD1-N 2.98Å; D111-T113 PolarHBondContact OD1-OG1 3.39Å; D111-T113 VanDerWaalsContact OD1-OG1 3.09Å; D111-T113 PolarHBondContact OD2-OG1 3.07Å; D111-S114 PolarHBondContact O-N 2.75Å; D111-S117 PolarHBondContact N-OG 3.09Å; D111-S117 PolarHBondContact O-OG 3.25Å; D111-K144 VanDerWaalsContact OD1-CD 3.31Å; D111-K144 WeakPolarHBondContact OD1-CD 3.39Å; D111-K144 WeakPolarHBondContact OD2-CD 3.35Å; D111-K144 WeakPolarHBondContact OD2-CE 3.37Å; D111-K144 IonicContact OD2-NZ 3.89Å; D111-K144 PolarHBondContact OD2-NZ 3.25Å
112	V	98.7	Very high	96.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22	-179.2	-58.9	0	0	0	0	112.9	Y110 N143 K144 E152 V153	Y110-V112 HydrophobicContact CE2-CG1 4.06Å; V112-N143 WeakPolarHBondContact CG1-O 3.37Å; V112-N143 WeakPolarHBondContact CG2-O 3.35Å; V112-N143 PolarHBondContact N-O 2.84Å; V112-K144 HydrophobicContact CG2-CB 4.42Å; V112-K144 VanDerWaalsContact CG2-O 3.25Å; V112-K144 WeakPolarHBondContact CG2-O 3.37Å; V112-E152 PolarHBondContact O-N 2.84Å; V112-V153 PolarHBondContact O-N 2.9Å; V112-V153 VanDerWaalsContact O-N 3.08Å
113	T	98.3	Very high	97.1	Very high	23 Å²	23	31.9 Å²	31.9	14%	0.141	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	10.1	176.4	80.5	0	0	0	0	112.9	D111 L147 Q150 E152	D111-T113 PolarHBondContact O-N 3.46Å; D111-T113 VanDerWaalsContact O-N 3.14Å; D111-T113 PolarHBondContact OD1-N 2.98Å; D111-T113 PolarHBondContact OD1-OG1 3.39Å; D111-T113 VanDerWaalsContact OD1-OG1 3.09Å; D111-T113 PolarHBondContact OD2-OG1 3.07Å; T113-L147 HydrophobicContact CG2-CB 3.53Å; T113-L147 HydrophobicContact CG2-CD1 3.96Å; T113-L147 HydrophobicContact CG2-CG 4.4Å; T113-Q150 WeakPolarHBondContact CA-O 3.41Å; T113-Q150 VanDerWaalsContact CB-O 3.26Å; T113-Q150 WeakPolarHBondContact CB-O 3.27Å; T113-Q150 HydrophobicContact CG2-CB 3.76Å; T113-E152 VanDerWaalsContact O-CD 3.22Å; T113-E152 WeakPolarHBondContact O-CG 3.19Å
114	S	98	Very high	97.2	Very high	30 Å²	30	32.5 Å²	32.5	21%	0.21	16%	0.158	C	C	.	.			trans	-136.2	100.8	-178.4	177.2	0	0	0	0	111.6	D111 E116 S117 Y118	D111-S114 PolarHBondContact O-N 2.75Å; S114-E116 PolarHBondContact O-N 2.73Å; S114-S117 PolarHBondContact O-N 2.92Å; S114-S117 VanDerWaalsContact O-N 3.13Å; S114-S117 PolarHBondContact O-OG 2.9Å; S114-S117 PolarHBondContact OG-N 2.98Å; S114-Y118 PolarHBondContact O-N 2.91Å
115	R	98	Very high	97.3	Very high	66 Å²	66	32.6 Å²	32.6	25%	0.249	16%	0.159	C	C	.	.	H	α-helix	trans	-59	-33.8	173.5	-177	56.9	63	164.2	11.9	112.5	Y118 N119 E152 E157	R115-Y118 PolarHBondContact O-N 2.87Å; R115-N119 PolarHBondContact O-N 2.78Å; R115-N119 PolarHBondContact O-ND2 3.14Å; R115-N119 PolarHBondContact O-OD1 3.1Å; R115-E152 HydrophobicContact CB-CB 4.31Å; R115-E152 WeakPolarHBondContact CB-OE2 3.49Å; R115-E152 PolarHBondContact N-OE2 2.86Å; R115-E152 PolarHBondContact NE-O 3.13Å; R115-E152 PolarHBondContact NH2-O 3.2Å; R115-E157 IonicContact CZ-OE1 3.5Å; R115-E157 VanDerWaalsContact CZ-OE1 3.23Å; R115-E157 IonicContact CZ-OE2 3.6Å; R115-E157 IonicContact NH1-OE1 3.72Å; R115-E157 PolarHBondContact NH1-OE1 2.72Å; R115-E157 IonicContact NH1-OE2 3.19Å; R115-E157 VanDerWaalsContact NH2-CD 3.29Å; R115-E157 IonicContact NH2-OE1 2.68Å; R115-E157 PolarHBondContact NH2-OE1 2.69Å; R115-E157 IonicContact NH2-OE2 3.03Å; R115-E157 PolarHBondContact NH2-OE2 3.26Å
116	E	97.3	Very high	97.2	Very high	145 Å²	145	35.1 Å²	35.1	68%	0.678	18%	0.18	S	C	*	.	H	α-helix	trans	-60.7	-45	175.6	-173.3	-171.7	162.3	0	0	111.7	S114 Y118 N119 A120	S114-E116 PolarHBondContact O-N 2.73Å; E116-Y118 VanDerWaalsContact C-N 3.29Å; E116-Y118 PolarHBondContact O-N 2.81Å; E116-N119 PolarHBondContact O-N 3.25Å; E116-A120 PolarHBondContact O-N 3.34Å
117	S	97	Very high	97	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-35.9	179.3	78	0	0	0	0	112.5	D111 S114 A120	D111-S117 PolarHBondContact N-OG 3.09Å; D111-S117 PolarHBondContact O-OG 3.25Å; S114-S117 PolarHBondContact O-N 2.92Å; S114-S117 VanDerWaalsContact O-N 3.13Å; S114-S117 PolarHBondContact O-OG 2.9Å; S114-S117 PolarHBondContact OG-N 2.98Å; S117-A120 PolarHBondContact O-N 2.94Å
118	Y	98.6	Very high	96.7	Very high	36 Å²	36	35.6 Å²	35.6	14%	0.141	18%	0.183	C	C	.	.	H	α-helix	trans	-67.4	-46.7	174.1	172.5	-95.6	0	0	0	112	Y110 S114 R115 E116 A120 L121 V153 E157 A158 F161	Y110-Y118 HydrophobicContact CD2-CD2 4.33Å; Y110-Y118 HydrophobicContact CE2-CD2 4.39Å; S114-Y118 PolarHBondContact O-N 2.91Å; R115-Y118 PolarHBondContact O-N 2.87Å; E116-Y118 VanDerWaalsContact C-N 3.29Å; E116-Y118 PolarHBondContact O-N 2.81Å; Y118-A120 PolarHBondContact O-N 2.9Å; Y118-A120 VanDerWaalsContact O-N 3.1Å; Y118-L121 HydrophobicContact CD2-CD1 3.48Å; Y118-L121 VanDerWaalsContact CD2-CD1 3.48Å; Y118-L121 HydrophobicContact CE2-CD1 3.97Å; Y118-L121 HydrophobicContact CG-CD1 4.2Å; Y118-L121 WeakPolarHBondContact O-CB 3.32Å; Y118-L121 WeakPolarHBondContact O-CD1 3.2Å; Y118-L121 WeakPolarHBondContact O-CG 3.23Å; Y118-L121 PolarHBondContact O-N 2.74Å; Y118-V153 HydrophobicContact CD1-CG1 4.47Å; Y118-V153 HydrophobicContact CD2-CG1 3.61Å; Y118-V153 HydrophobicContact CE2-CG1 4.01Å; Y118-V153 HydrophobicContact CG-CG1 3.87Å; Y118-V153 HydrophobicContact CG-CG2 4.01Å; Y118-E157 PolarHBondContact OH-O 2.9Å; Y118-A158 HydrophobicContact CE2-CB 4.25Å; Y118-F161 HydrophobicContact CE2-CB 4.24Å
119	N	97.9	Very high	96.5	Very high	105 Å²	105	40.1 Å²	40.1	56%	0.561	21%	0.206	S	C	*	.	H	α-helix	trans	-61.9	-23.2	179.2	-69.6	-13	0	0	0	112.9	R115 E116	R115-N119 PolarHBondContact O-N 2.78Å; R115-N119 PolarHBondContact O-ND2 3.14Å; R115-N119 PolarHBondContact O-OD1 3.1Å; E116-N119 PolarHBondContact O-N 3.25Å
120	A	96.1	Very high	96.2	Very high	13 Å²	13	46.5 Å²	46.5	11%	0.107	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.6	175.6	0	0	0	0	0	114	N38 E116 S117 Y118 T122 R123 W124	N38-A120 WeakPolarHBondContact ND2-CB 3.15Å; N38-A120 VanDerWaalsContact OD1-CB 3.27Å; N38-A120 WeakPolarHBondContact OD1-CB 3.37Å; E116-A120 PolarHBondContact O-N 3.34Å; S117-A120 PolarHBondContact O-N 2.94Å; Y118-A120 PolarHBondContact O-N 2.9Å; Y118-A120 VanDerWaalsContact O-N 3.1Å; A120-T122 PolarHBondContact O-N 2.83Å; A120-R123 WeakPolarHBondContact O-CB 3.31Å; A120-R123 PolarHBondContact O-N 3.23Å; A120-R123 VanDerWaalsContact O-N 3.1Å; A120-W124 VanDerWaalsContact O-CD1 3.28Å; A120-W124 PolarHBondContact O-N 3.47Å
121	L	97.6	Very high	95.8	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-55.9	-45.9	-174.8	-73.7	172.9	0	0	0	112.9	L108 Y110 Y118 R123 W124 L125 L140 F161	L108-L121 HydrophobicContact CD1-CD2 3.77Å; L108-L121 HydrophobicContact CD2-CD2 3.85Å; L108-L121 HydrophobicContact CG-CD2 3.56Å; Y110-L121 HydrophobicContact CD1-CD1 3.94Å; Y110-L121 HydrophobicContact CD1-CD2 4.41Å; Y110-L121 HydrophobicContact CG-CD1 4.13Å; Y118-L121 HydrophobicContact CD2-CD1 3.48Å; Y118-L121 VanDerWaalsContact CD2-CD1 3.48Å; Y118-L121 HydrophobicContact CE2-CD1 3.97Å; Y118-L121 HydrophobicContact CG-CD1 4.2Å; Y118-L121 WeakPolarHBondContact O-CB 3.32Å; Y118-L121 WeakPolarHBondContact O-CD1 3.2Å; Y118-L121 WeakPolarHBondContact O-CG 3.23Å; Y118-L121 PolarHBondContact O-N 2.74Å; L121-R123 PolarHBondContact O-N 2.76Å; L121-R123 VanDerWaalsContact O-N 3.14Å; L121-W124 PolarHBondContact O-N 2.77Å; L121-W124 VanDerWaalsContact O-N 3.09Å; L121-L125 WeakPolarHBondContact O-CB 3.41Å; L121-L125 PolarHBondContact O-N 2.85Å; L121-L140 HydrophobicContact CD1-CD1 3.8Å; L121-L140 HydrophobicContact CD1-CD2 4.4Å; L121-L140 HydrophobicContact CD2-CD1 3.52Å; L121-L140 HydrophobicContact CG-CD1 4.31Å; L121-F161 HydrophobicContact CB-CE1 3.95Å; L121-F161 HydrophobicContact CB-CE2 4.09Å; L121-F161 HydrophobicContact CB-CZ 3.59Å; L121-F161 HydrophobicContact CD1-CD1 4.29Å; L121-F161 HydrophobicContact CD1-CE1 4.2Å
122	T	96.9	Very high	95.5	Very high	89 Å²	89	49.6 Å²	49.6	55%	0.546	26%	0.258	S	S	.	.	H	α-helix	trans	-53.4	-39	179.5	-49.6	0	0	0	0	111.8	A120 A126	A120-T122 PolarHBondContact O-N 2.83Å; T122-A126 VanDerWaalsContact O-CB 3.26Å; T122-A126 WeakPolarHBondContact O-CB 3.07Å; T122-A126 PolarHBondContact O-N 2.96Å
123	R	94	Very high	94.9	Very high	148 Å²	148	50.5 Å²	50.5	56%	0.558	26%	0.264	S	S	*	.	H	α-helix	trans	-72.5	-43.3	-179.6	-179.8	-173.9	-65	-179.3	5.4	112.1	A120 L121 D127	A120-R123 WeakPolarHBondContact O-CB 3.31Å; A120-R123 PolarHBondContact O-N 3.23Å; A120-R123 VanDerWaalsContact O-N 3.1Å; L121-R123 PolarHBondContact O-N 2.76Å; L121-R123 VanDerWaalsContact O-N 3.14Å; R123-D127 PolarHBondContact O-N 2.96Å
124	W	94.3	Very high	94.3	Very high	12 Å²	12	54.9 Å²	54.9	5%	0.045	29%	0.293	C	S	.	.	H	α-helix	trans	-67.1	-40	177.8	-75.7	109.9	0	0	0	112	I36 G37 N38 T96 L108 A120 L121 D127 A128	I36-W124 HydrophobicContact CB-CE3 3.94Å; I36-W124 HydrophobicContact CB-CZ3 4.34Å; I36-W124 HydrophobicContact CD1-CB 4.39Å; G37-W124 VanDerWaalsContact C-CE2 3.49Å; G37-W124 WeakPolarHBondContact O-CZ2 3.24Å; N38-W124 PolarHBondContact OD1-NE1 2.8Å; T96-W124 HydrophobicContact CG2-CZ3 4.23Å; L108-W124 HydrophobicContact CD1-CB 3.47Å; L108-W124 VanDerWaalsContact CD1-CB 3.47Å; L108-W124 HydrophobicContact CD1-CG 4.35Å; A120-W124 VanDerWaalsContact O-CD1 3.28Å; A120-W124 PolarHBondContact O-N 3.47Å; L121-W124 PolarHBondContact O-N 2.77Å; L121-W124 VanDerWaalsContact O-N 3.09Å; W124-D127 PolarHBondContact O-N 3.25Å; W124-A128 PolarHBondContact O-N 3.39Å; W124-A128 VanDerWaalsContact O-N 3.1Å
125	L	96	Very high	93.8	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-64.6	-45.8	175.2	-179.5	61.4	0	0	0	111.3	L108 L121 D127 A128 L129 V138 F161 N165 I167	L108-L125 HydrophobicContact CD2-CB 3.98Å; L108-L125 HydrophobicContact CD2-CD1 4.37Å; L121-L125 WeakPolarHBondContact O-CB 3.41Å; L121-L125 PolarHBondContact O-N 2.85Å; L125-D127 VanDerWaalsContact C-N 3.31Å; L125-D127 PolarHBondContact O-N 3.37Å; L125-A128 WeakPolarHBondContact O-CA 3.45Å; L125-A128 WeakPolarHBondContact O-CB 3.39Å; L125-A128 PolarHBondContact O-N 3.27Å; L125-L129 HydrophobicContact CD1-CD1 4.11Å; L125-L129 HydrophobicContact CD1-CD2 4.42Å; L125-L129 HydrophobicContact CD1-CG 4.05Å; L125-L129 HydrophobicContact CG-CD1 3.97Å; L125-L129 HydrophobicContact CG-CG 4.3Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 3.02Å; L125-V138 HydrophobicContact CD1-CB 4.39Å; L125-V138 HydrophobicContact CD1-CG1 4.03Å; L125-V138 HydrophobicContact CD1-CG2 4.16Å; L125-F161 HydrophobicContact CD2-CE1 4.33Å; L125-F161 HydrophobicContact CD2-CZ 4.09Å; L125-N165 HydrophobicContact CD2-CB 3.62Å; L125-N165 VanDerWaalsContact CD2-CG 3.47Å; L125-N165 VanDerWaalsContact CD2-OD1 3.28Å; L125-N165 WeakPolarHBondContact CD2-OD1 3.43Å; L125-I167 HydrophobicContact CD1-CG2 4.26Å; L125-I167 HydrophobicContact CD2-CD1 4.35Å
126	A	94.8	Very high	93.6	Very high	54 Å²	54	54.7 Å²	54.7	45%	0.446	29%	0.292	S	S	.	.	H	α-helix	trans	-58.1	-42.7	177.2	0	0	0	0	0	112.3	T122 A128 L130	T122-A126 VanDerWaalsContact O-CB 3.26Å; T122-A126 WeakPolarHBondContact O-CB 3.07Å; T122-A126 PolarHBondContact O-N 2.96Å; A126-A128 VanDerWaalsContact C-N 3.32Å; A126-A128 PolarHBondContact O-N 3.2Å; A126-L130 WeakPolarHBondContact O-CB 3.17Å; A126-L130 PolarHBondContact O-N 3.28Å
127	D	92.5	Very high	93.6	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.053	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-39.9	174.2	-80	-5.5	0	0	0	111.4	R93 R97 Y100 R123 W124 L125 L130 L131	R93-D127 IonicContact CZ-OD2 2.76Å; R93-D127 IonicContact NE-OD2 3.48Å; R93-D127 PolarHBondContact NE-OD2 3.03Å; R93-D127 IonicContact NH2-OD1 2.7Å; R93-D127 PolarHBondContact NH2-OD1 3.47Å; R93-D127 IonicContact NH2-OD2 3.57Å; R93-D127 PolarHBondContact NH2-OD2 3.12Å; R97-D127 IonicContact NH2-OD1 3.56Å; Y100-D127 HydrophobicContact CE1-CB 4.32Å; Y100-D127 HydrophobicContact CE2-CB 4.4Å; R123-D127 PolarHBondContact O-N 2.96Å; W124-D127 PolarHBondContact O-N 3.25Å; L125-D127 VanDerWaalsContact C-N 3.31Å; L125-D127 PolarHBondContact O-N 3.37Å; D127-L130 PolarHBondContact O-N 2.9Å; D127-L131 HydrophobicContact CB-CD1 4.37Å; D127-L131 VanDerWaalsContact O-CB 3.27Å; D127-L131 WeakPolarHBondContact O-CB 3.18Å; D127-L131 WeakPolarHBondContact O-CG 3.49Å; D127-L131 PolarHBondContact O-N 3.24Å
128	A	92.8	Very high	93.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.6	-49.7	177.6	0	0	0	0	0	112.7	I36 Y100 W124 L125 A126 L130 A132 I136	I36-A128 HydrophobicContact CD1-CB 3.94Å; Y100-A128 HydrophobicContact CD1-CB 4.29Å; Y100-A128 HydrophobicContact CE1-CB 3.76Å; W124-A128 PolarHBondContact O-N 3.39Å; W124-A128 VanDerWaalsContact O-N 3.1Å; L125-A128 WeakPolarHBondContact O-CA 3.45Å; L125-A128 WeakPolarHBondContact O-CB 3.39Å; L125-A128 PolarHBondContact O-N 3.27Å; A126-A128 VanDerWaalsContact C-N 3.32Å; A126-A128 PolarHBondContact O-N 3.2Å; A128-L130 VanDerWaalsContact C-N 3.3Å; A128-L130 PolarHBondContact O-N 3.23Å; A128-A132 WeakPolarHBondContact O-CB 3.16Å; A128-A132 PolarHBondContact O-N 3.27Å; A128-A132 VanDerWaalsContact O-N 3.14Å; A128-I136 HydrophobicContact CB-CD1 4.38Å
129	L	93.9	Very high	93.6	Very high	95 Å²	95	46.8 Å²	46.8	50%	0.497	26%	0.257	S	S	.	.	H	α-helix	trans	-66.9	-32	-179.9	-62.7	177.3	0	0	0	112.3	L125 I136	L125-L129 HydrophobicContact CD1-CD1 4.11Å; L125-L129 HydrophobicContact CD1-CD2 4.42Å; L125-L129 HydrophobicContact CD1-CG 4.05Å; L125-L129 HydrophobicContact CG-CD1 3.97Å; L125-L129 HydrophobicContact CG-CG 4.3Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 3.02Å; L129-I136 HydrophobicContact CD2-CG2 4Å
130	L	92	Very high	93.7	Very high	135 Å²	135	41.8 Å²	41.8	71%	0.707	23%	0.23	S	C	*	.	H	α-helix	trans	-79.9	-39.7	-178.9	-179.7	63	0	0	0	113.6	A126 D127 A128	A126-L130 WeakPolarHBondContact O-CB 3.17Å; A126-L130 PolarHBondContact O-N 3.28Å; D127-L130 PolarHBondContact O-N 2.9Å; A128-L130 VanDerWaalsContact C-N 3.3Å; A128-L130 PolarHBondContact O-N 3.23Å
131	L	89.8	Confident	93.8	Very high	60 Å²	60	41.2 Å²	41.2	31%	0.314	23%	0.225	S	C	.	.	H	α-helix	trans	-107.2	-17.7	-164.9	-58.5	174.7	0	0	0	114.1	R97 Y100 D127	R97-L131 HydrophobicContact CB-CD1 4.06Å; R97-L131 HydrophobicContact CG-CD1 3.6Å; Y100-L131 VanDerWaalsContact CB-CB 3.43Å; Y100-L131 HydrophobicContact CD1-CB 4.36Å; Y100-L131 HydrophobicContact CD2-CB 4.5Å; Y100-L131 HydrophobicContact CD2-CD1 4.17Å; Y100-L131 HydrophobicContact CG-CB 3.87Å; Y100-L131 HydrophobicContact CG-CD1 4.33Å; D127-L131 HydrophobicContact CB-CD1 4.37Å; D127-L131 VanDerWaalsContact O-CB 3.27Å; D127-L131 WeakPolarHBondContact O-CB 3.18Å; D127-L131 WeakPolarHBondContact O-CG 3.49Å; D127-L131 PolarHBondContact O-N 3.24Å
132	A	90.3	Very high	93.8	Very high	14 Å²	14	41.1 Å²	41.1	12%	0.116	23%	0.225	C	C	.	.	S	Bend	trans	-91.2	-165.8	179.9	0	0	0	0	0	112.4	Y100 A103 A128 I136	Y100-A132 HydrophobicContact CD1-CB 4.42Å; Y100-A132 VanDerWaalsContact O-CA 3.29Å; Y100-A132 WeakPolarHBondContact O-CA 3.35Å; Y100-A132 WeakPolarHBondContact O-CB 3.05Å; A103-A132 HydrophobicContact CB-CB 4.25Å; A128-A132 WeakPolarHBondContact O-CB 3.16Å; A128-A132 PolarHBondContact O-N 3.27Å; A128-A132 VanDerWaalsContact O-N 3.14Å; A132-I136 HydrophobicContact CB-CB 4.27Å; A132-I136 HydrophobicContact CB-CD1 3.59Å; A132-I136 HydrophobicContact CB-CG1 4.34Å
133	S	86	Confident	93.9	Very high	19 Å²	19	37 Å²	37	13%	0.133	20%	0.2	C	C	.	.			trans	-61.1	138.9	172.5	-62.7	0	0	0	0	110.2	A103 Q135 I136 Y200	A103-S133 WeakPolarHBondContact O-CB 3.34Å; A103-S133 PolarHBondContact O-N 3.5Å; A103-S133 PolarHBondContact O-OG 3.27Å; S133-Q135 PolarHBondContact O-N 3.4Å; S133-I136 WeakPolarHBondContact O-CB 3.33Å; S133-I136 PolarHBondContact O-N 2.82Å; S133-Y200 WeakPolarHBondContact CB-OH 3.33Å; S133-Y200 PolarHBondContact OG-OH 3.33Å
134	P	85.8	Confident	94.1	Very high	115 Å²	115	32.6 Å²	32.6	75%	0.747	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-21.3	178.7	-27	34.4	0	0	0	114.5
135	Q	87.9	Confident	94.3	Very high	79 Å²	79	34.8 Å²	34.8	37%	0.369	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	20.3	-178.8	-64.9	-64.4	-18.6	0	0	112.9	S133 V137 K194 T199 Y200	S133-Q135 PolarHBondContact O-N 3.4Å; Q135-V137 PolarHBondContact O-N 3.22Å; Q135-K194 PolarHBondContact O-NZ 2.97Å; Q135-T199 HydrophobicContact CG-CG2 4.43Å; Q135-T199 WeakPolarHBondContact CG-O 3.34Å; Q135-Y200 HydrophobicContact CB-CD2 3.73Å; Q135-Y200 HydrophobicContact CB-CE2 4.22Å
136	I	94.4	Very high	94.4	Very high	12 Å²	12	37.3 Å²	37.3	6%	0.062	21%	0.208	C	C	.	.			trans	-49.7	137.4	179.9	-168.7	178.9	0	0	0	110.8	A104 A106 A128 L129 A132 S133 V138 K194	A104-I136 WeakPolarHBondContact O-CA 3.02Å; A106-I136 HydrophobicContact CB-CD1 3.66Å; A128-I136 HydrophobicContact CB-CD1 4.38Å; L129-I136 HydrophobicContact CD2-CG2 4Å; A132-I136 HydrophobicContact CB-CB 4.27Å; A132-I136 HydrophobicContact CB-CD1 3.59Å; A132-I136 HydrophobicContact CB-CG1 4.34Å; S133-I136 WeakPolarHBondContact O-CB 3.33Å; S133-I136 PolarHBondContact O-N 2.82Å; I136-V138 HydrophobicContact CD1-CG2 4.36Å; I136-V138 HydrophobicContact CG1-CG2 4.35Å; I136-V138 HydrophobicContact CG2-CG2 4.13Å; I136-K194 PolarHBondContact O-NZ 3.43Å
137	V	96.6	Very high	94.5	Very high	11 Å²	11	37 Å²	37	7%	0.067	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.9	168.8	170.8	0	0	0	0	108.4	A104 G105 A106 Q135 I191 K194	A104-V137 PolarHBondContact O-N 3.02Å; G105-V137 CarbonylContact C-O 3.58Å; G105-V137 WeakPolarHBondContact CA-O 3.32Å; A106-V137 PolarHBondContact N-O 2.92Å; Q135-V137 PolarHBondContact O-N 3.22Å; V137-I191 HydrophobicContact CB-CG1 3.71Å; V137-I191 HydrophobicContact CG1-CG1 4.37Å; V137-I191 HydrophobicContact CG2-CB 4.45Å; V137-I191 HydrophobicContact CG2-CG1 3.66Å; V137-K194 HydrophobicContact CG2-CD 3.84Å
138	V	97.9	Very high	94.7	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.048	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133	177.2	-172.3	0	0	0	0	109.5	A106 L108 L125 I136 I167 A168	A106-V138 HydrophobicContact CB-CG1 4.42Å; A106-V138 HydrophobicContact CB-CG2 4.35Å; A106-V138 WeakPolarHBondContact O-CA 3.45Å; L108-V138 HydrophobicContact CB-CG1 3.93Å; L108-V138 HydrophobicContact CD2-CG1 4.42Å; L125-V138 HydrophobicContact CD1-CB 4.39Å; L125-V138 HydrophobicContact CD1-CG1 4.03Å; L125-V138 HydrophobicContact CD1-CG2 4.16Å; I136-V138 HydrophobicContact CD1-CG2 4.36Å; I136-V138 HydrophobicContact CG1-CG2 4.35Å; I136-V138 HydrophobicContact CG2-CG2 4.13Å; V138-I167 HydrophobicContact CB-CB 4.18Å; V138-I167 HydrophobicContact CB-CG2 3.72Å; V138-I167 HydrophobicContact CG1-CB 4.49Å; V138-I167 HydrophobicContact CG1-CD1 4.36Å; V138-I167 HydrophobicContact CG1-CG2 4.23Å; V138-I167 HydrophobicContact CG2-CG2 4.47Å; V138-A168 PolarHBondContact O-N 3.26Å
139	V	98.6	Very high	94.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.2	171.5	-176.6	0	0	0	0	108.2	A106 I107 L108 I141 A168 L170 C187	A106-V139 PolarHBondContact O-N 3.07Å; I107-V139 HydrophobicContact CD1-CB 4.12Å; L108-V139 PolarHBondContact N-O 2.86Å; V139-I141 HydrophobicContact CG1-CG1 4.43Å; V139-A168 CarbonylContact C-O 3.52Å; V139-A168 HydrophobicContact CG1-CB 4.33Å; V139-A168 HydrophobicContact CG2-CB 4.13Å; V139-L170 HydrophobicContact CG1-CD2 3.52Å; V139-C187 HydrophobicContact CB-CB 4.46Å; V139-C187 HydrophobicContact CG2-CB 3.5Å; V139-C187 VanDerWaalsContact CG2-CB 3.5Å
140	L	98.8	Very high	95.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	128.6	171	-179.8	64.7	0	0	0	109.8	L108 Y110 L121 F161 A162 I167 A168 F169 L170	L108-L140 HydrophobicContact CB-CD1 4.39Å; L108-L140 HydrophobicContact CD2-CD1 4.07Å; L108-L140 HydrophobicContact CG-CD1 3.93Å; L108-L140 CarbonylContact O-C 3.57Å; L108-L140 WeakPolarHBondContact O-CA 3.3Å; L108-L140 WeakPolarHBondContact O-CD1 3.19Å; Y110-L140 HydrophobicContact CD1-CD1 3.73Å; Y110-L140 HydrophobicContact CD1-CG 4.24Å; Y110-L140 HydrophobicContact CE1-CD1 4.11Å; Y110-L140 HydrophobicContact CE1-CD2 4.28Å; Y110-L140 HydrophobicContact CE1-CG 4.11Å; L121-L140 HydrophobicContact CD1-CD1 3.8Å; L121-L140 HydrophobicContact CD1-CD2 4.4Å; L121-L140 HydrophobicContact CD2-CD1 3.52Å; L121-L140 HydrophobicContact CG-CD1 4.31Å; L140-F161 HydrophobicContact CD2-CD1 3.82Å; L140-F161 HydrophobicContact CD2-CE1 4.37Å; L140-A162 HydrophobicContact CD2-CB 4.15Å; L140-I167 HydrophobicContact CB-CD1 3.95Å; L140-A168 PolarHBondContact N-O 2.69Å; L140-F169 HydrophobicContact CB-CB 4.35Å; L140-F169 HydrophobicContact CB-CD2 4.01Å; L140-F169 HydrophobicContact CD2-CD2 3.69Å; L140-F169 HydrophobicContact CD2-CE2 4.22Å; L140-F169 HydrophobicContact CD2-CG 4.36Å; L140-F169 HydrophobicContact CG-CD2 3.73Å; L140-F169 HydrophobicContact CG-CE2 4.32Å; L140-F169 WeakPolarHBondContact O-CA 3.12Å; L140-L170 PolarHBondContact O-N 3.27Å; L140-L170 VanDerWaalsContact O-N 3.12Å
141	I	98.7	Very high	95.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119.6	173.1	-56.8	-177.4	0	0	0	109.4	L46 I107 L108 V109 Y110 V139 N143 L170 A172 A183	L46-I141 HydrophobicContact CD1-CD1 4.33Å; L46-I141 HydrophobicContact CD1-CG2 4.2Å; I107-I141 HydrophobicContact CG2-CD1 3.28Å; I107-I141 HydrophobicContact CG2-CG1 3.91Å; L108-I141 PolarHBondContact O-N 2.98Å; V109-I141 WeakPolarHBondContact CA-O 3.35Å; Y110-I141 WeakPolarHBondContact CD1-O 3.48Å; Y110-I141 PolarHBondContact N-O 3.33Å; V139-I141 HydrophobicContact CG1-CG1 4.43Å; I141-N143 HydrophobicContact CG2-CB 4.4Å; I141-N143 PolarHBondContact O-N 3.28Å; I141-L170 WeakPolarHBondContact CA-O 3.22Å; I141-A172 HydrophobicContact CG2-CB 3.67Å; I141-A183 HydrophobicContact CD1-CB 3.33Å; I141-A183 HydrophobicContact CG1-CB 3.91Å
142	G	98.8	Very high	95.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	98.3	160.4	0	0	0	0	0	109.9	L170 E171 A172	G142-L170 PolarHBondContact N-O 2.78Å; G142-E171 CarbonylContact O-C 3.57Å; G142-E171 VanDerWaalsContact O-CA 3.22Å; G142-E171 WeakPolarHBondContact O-CA 3.1Å; G142-A172 PolarHBondContact O-N 3Å
143	N	98.6	Very high	96.2	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.011	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	165.6	-178.2	-170.1	33.8	0	0	0	111.8	T41 L46 V109 Y110 V112 I141 K145 A172 A174	T41-N143 PolarHBondContact O-ND2 2.85Å; L46-N143 HydrophobicContact CD1-CB 4.17Å; V109-N143 HydrophobicContact CG1-CB 3.93Å; Y110-N143 PolarHBondContact O-N 3.36Å; V112-N143 WeakPolarHBondContact CG1-O 3.37Å; V112-N143 WeakPolarHBondContact CG2-O 3.35Å; V112-N143 PolarHBondContact N-O 2.84Å; I141-N143 HydrophobicContact CG2-CB 4.4Å; I141-N143 PolarHBondContact O-N 3.28Å; N143-K145 VanDerWaalsContact C-N 3.35Å; N143-A172 CarbonylContact C-O 3.54Å; N143-A172 WeakPolarHBondContact CA-O 3.2Å; N143-A172 PolarHBondContact OD1-O 2.89Å; N143-A174 PolarHBondContact OD1-N 3.18Å
144	K	97.6	Very high	96.8	Very high	55 Å²	55	48.6 Å²	48.6	24%	0.239	25%	0.252	C	S	.	.			trans	66.7	32.8	-176.6	-45.1	-168.2	-163.6	165.7	0	113.3	G40 D111 V112 D146 L147 A172	G40-K144 WeakPolarHBondContact O-CE 2.9Å; G40-K144 PolarHBondContact O-NZ 3.3Å; D111-K144 VanDerWaalsContact OD1-CD 3.31Å; D111-K144 WeakPolarHBondContact OD1-CD 3.39Å; D111-K144 WeakPolarHBondContact OD2-CD 3.35Å; D111-K144 WeakPolarHBondContact OD2-CE 3.37Å; D111-K144 IonicContact OD2-NZ 3.89Å; D111-K144 PolarHBondContact OD2-NZ 3.25Å; V112-K144 HydrophobicContact CG2-CB 4.42Å; V112-K144 VanDerWaalsContact CG2-O 3.25Å; V112-K144 WeakPolarHBondContact CG2-O 3.37Å; K144-D146 WeakPolarHBondContact CA-OD1 3.28Å; K144-D146 PolarHBondContact O-N 3.1Å; K144-L147 HydrophobicContact CB-CD1 4.02Å; K144-L147 HydrophobicContact CB-CG 4.26Å; K144-L147 HydrophobicContact CD-CD1 3.99Å; K144-L147 WeakPolarHBondContact O-CB 3.46Å; K144-L147 PolarHBondContact O-N 3.48Å; K144-A172 PolarHBondContact N-O 3.15Å
145	K	98.1	Very high	97.4	Very high	58 Å²	58	48.8 Å²	48.8	25%	0.252	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-53.1	-27	174.9	-171.1	-173.4	-178.8	-172.5	0	113.4	N143 L147 E171 A172 E178	N143-K145 VanDerWaalsContact C-N 3.35Å; K145-L147 PolarHBondContact O-N 3.4Å; K145-E171 HydrophobicContact CB-CB 4.31Å; K145-E171 HydrophobicContact CD-CB 3.8Å; K145-E171 HydrophobicContact CG-CB 4.11Å; K145-A172 WeakPolarHBondContact CB-O 3.27Å; K145-A172 PolarHBondContact N-O 3.41Å; K145-A172 VanDerWaalsContact N-O 3.13Å; K145-E178 IonicContact NZ-OE1 2.65Å; K145-E178 PolarHBondContact NZ-OE1 3.25Å
146	D	97.9	Very high	97.9	Very high	57 Å²	57	49.8 Å²	49.8	31%	0.305	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-62.2	-19.9	174.2	55.6	-73.4	0	0	0	113.9	K144 E148 S173 L175 T176	K144-D146 WeakPolarHBondContact CA-OD1 3.28Å; K144-D146 PolarHBondContact O-N 3.1Å; D146-E148 VanDerWaalsContact C-N 3.32Å; D146-E148 PolarHBondContact O-N 2.85Å; D146-S173 VanDerWaalsContact CG-OG 3.28Å; D146-S173 VanDerWaalsContact OD1-CB 3.27Å; D146-S173 WeakPolarHBondContact OD1-CB 3.35Å; D146-S173 PolarHBondContact OD1-OG 3.24Å; D146-L175 WeakPolarHBondContact OD2-CD2 3.47Å; D146-T176 HydrophobicContact CB-CG2 4.13Å
147	L	97.3	Very high	98.1	Very high	48 Å²	48	52.1 Å²	52.1	25%	0.251	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-93.8	43.1	179.4	-56.8	-177.5	0	0	0	112.7	T113 K144 K145 T149 Q150 R151	T113-L147 HydrophobicContact CG2-CB 3.53Å; T113-L147 HydrophobicContact CG2-CD1 3.96Å; T113-L147 HydrophobicContact CG2-CG 4.4Å; K144-L147 HydrophobicContact CB-CD1 4.02Å; K144-L147 HydrophobicContact CB-CG 4.26Å; K144-L147 HydrophobicContact CD-CD1 3.99Å; K144-L147 WeakPolarHBondContact O-CB 3.46Å; K144-L147 PolarHBondContact O-N 3.48Å; K145-L147 PolarHBondContact O-N 3.4Å; L147-T149 PolarHBondContact O-N 2.89Å; L147-T149 VanDerWaalsContact O-N 3.12Å; L147-Q150 HydrophobicContact CB-CB 4.42Å; L147-Q150 PolarHBondContact O-N 3.24Å; L147-R151 PolarHBondContact O-N 3.48Å
148	E	96.9	Very high	98.1	Very high	106 Å²	106	51.6 Å²	51.6	50%	0.495	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-54.4	-35.7	-174.9	-170.7	59.8	-147.3	0	0	113.5	D146 Q150 R151	D146-E148 VanDerWaalsContact C-N 3.32Å; D146-E148 PolarHBondContact O-N 2.85Å; E148-Q150 PolarHBondContact O-N 3.48Å; E148-R151 VanDerWaalsContact CD-NE 3.26Å; E148-R151 VanDerWaalsContact O-CB 3.27Å; E148-R151 WeakPolarHBondContact O-CB 3.44Å; E148-R151 PolarHBondContact O-N 2.95Å; E148-R151 WeakPolarHBondContact OE1-CD 3.41Å; E148-R151 IonicContact OE1-CZ 2.9Å; E148-R151 IonicContact OE1-NE 3.75Å; E148-R151 PolarHBondContact OE1-NE 3.34Å; E148-R151 IonicContact OE1-NH2 3.77Å; E148-R151 IonicContact OE2-CZ 2.72Å; E148-R151 VanDerWaalsContact OE2-CZ 3.31Å; E148-R151 IonicContact OE2-NE 2.91Å; E148-R151 PolarHBondContact OE2-NE 3.3Å; E148-R151 IonicContact OE2-NH2 3.66Å; E148-R151 PolarHBondContact OE2-NH2 3.44Å
149	T	97.5	Very high	98.2	Very high	140 Å²	140	53.1 Å²	53.1	86%	0.859	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-69.8	-14.6	178.7	58.1	0	0	0	0	114	L147	L147-T149 PolarHBondContact O-N 2.89Å; L147-T149 VanDerWaalsContact O-N 3.12Å
150	Q	97.9	Very high	98.2	Very high	114 Å²	114	58 Å²	58	53%	0.533	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-109.7	8.9	178.8	-61	174.9	49.5	0	0	111.7	T113 L147 E148 E152	T113-Q150 WeakPolarHBondContact CA-O 3.41Å; T113-Q150 VanDerWaalsContact CB-O 3.26Å; T113-Q150 WeakPolarHBondContact CB-O 3.27Å; T113-Q150 HydrophobicContact CG2-CB 3.76Å; L147-Q150 HydrophobicContact CB-CB 4.42Å; L147-Q150 PolarHBondContact O-N 3.24Å; E148-Q150 PolarHBondContact O-N 3.48Å; Q150-E152 PolarHBondContact O-N 3.42Å
151	R	98.5	Very high	98.2	Very high	50 Å²	50	58.7 Å²	58.7	19%	0.189	30%	0.295	C	S	.	.			trans	-59.6	125.3	-177.2	178.8	179.6	-70.8	-85.1	4.9	111.3	L147 E148 V153 E171	L147-R151 PolarHBondContact O-N 3.48Å; E148-R151 VanDerWaalsContact CD-NE 3.26Å; E148-R151 VanDerWaalsContact O-CB 3.27Å; E148-R151 WeakPolarHBondContact O-CB 3.44Å; E148-R151 PolarHBondContact O-N 2.95Å; E148-R151 WeakPolarHBondContact OE1-CD 3.41Å; E148-R151 IonicContact OE1-CZ 2.9Å; E148-R151 IonicContact OE1-NE 3.75Å; E148-R151 PolarHBondContact OE1-NE 3.34Å; E148-R151 IonicContact OE1-NH2 3.77Å; E148-R151 IonicContact OE2-CZ 2.72Å; E148-R151 VanDerWaalsContact OE2-CZ 3.31Å; E148-R151 IonicContact OE2-NE 2.91Å; E148-R151 PolarHBondContact OE2-NE 3.3Å; E148-R151 IonicContact OE2-NH2 3.66Å; E148-R151 PolarHBondContact OE2-NH2 3.44Å; R151-V153 VanDerWaalsContact CD-O 3.32Å; R151-V153 WeakPolarHBondContact CD-O 3.35Å; R151-V153 WeakPolarHBondContact CG-O 3.26Å; R151-V153 PolarHBondContact NH1-O 2.93Å; R151-E171 IonicContact CZ-OE1 3.86Å; R151-E171 IonicContact CZ-OE2 2.69Å; R151-E171 IonicContact NH1-OE1 3.23Å; R151-E171 PolarHBondContact NH1-OE1 3.03Å; R151-E171 IonicContact NH1-OE2 2.81Å; R151-E171 IonicContact NH2-OE1 3.24Å; R151-E171 PolarHBondContact NH2-OE1 3.41Å; R151-E171 IonicContact NH2-OE2 3.25Å; R151-E171 PolarHBondContact NH2-OE2 3.21Å
152	E	98.4	Very high	98.1	Very high	104 Å²	104	58.8 Å²	58.8	49%	0.486	30%	0.295	S	S	.	.			trans	-105.1	-22.1	172.8	-67	-170.1	177.6	0	0	112.4	V112 T113 R115 Q150	V112-E152 PolarHBondContact O-N 2.84Å; T113-E152 VanDerWaalsContact O-CD 3.22Å; T113-E152 WeakPolarHBondContact O-CG 3.19Å; R115-E152 HydrophobicContact CB-CB 4.31Å; R115-E152 WeakPolarHBondContact CB-OE2 3.49Å; R115-E152 PolarHBondContact N-OE2 2.86Å; R115-E152 PolarHBondContact NE-O 3.13Å; R115-E152 PolarHBondContact NH2-O 3.2Å; Q150-E152 PolarHBondContact O-N 3.42Å
153	V	98.4	Very high	98.1	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.331	C	S	.	.	S	Bend	trans	-118.9	120.9	-177.5	-176.7	0	0	0	0	109.3	Y110 V112 Y118 R151 E157 A158	Y110-V153 HydrophobicContact CD2-CG2 4.49Å; Y110-V153 HydrophobicContact CE2-CB 3.93Å; Y110-V153 HydrophobicContact CE2-CG1 3.77Å; Y110-V153 HydrophobicContact CE2-CG2 4.31Å; V112-V153 PolarHBondContact O-N 2.9Å; V112-V153 VanDerWaalsContact O-N 3.08Å; Y118-V153 HydrophobicContact CD1-CG1 4.47Å; Y118-V153 HydrophobicContact CD2-CG1 3.61Å; Y118-V153 HydrophobicContact CE2-CG1 4.01Å; Y118-V153 HydrophobicContact CG-CG1 3.87Å; Y118-V153 HydrophobicContact CG-CG2 4.01Å; R151-V153 VanDerWaalsContact CD-O 3.32Å; R151-V153 WeakPolarHBondContact CD-O 3.35Å; R151-V153 WeakPolarHBondContact CG-O 3.26Å; R151-V153 PolarHBondContact NH1-O 2.93Å; V153-E157 HydrophobicContact CG1-CB 4.47Å; V153-A158 HydrophobicContact CG1-CB 4.41Å
154	T	98.3	Very high	98.1	Very high	62 Å²	62	72.5 Å²	72.5	38%	0.38	36%	0.359	S	S	.	.			trans	-74.3	152.1	179.9	65.8	0	0	0	0	111.5	T156 E157 A158	T154-T156 PolarHBondContact O-N 3.36Å; T154-E157 WeakPolarHBondContact CB-OE2 3.47Å; T154-E157 WeakPolarHBondContact CG2-OE2 3.36Å; T154-E157 PolarHBondContact N-OE2 2.91Å; T154-E157 PolarHBondContact O-N 3.19Å; T154-E157 WeakPolarHBondContact OG1-CG 3.49Å; T154-E157 PolarHBondContact OG1-N 3.44Å; T154-E157 PolarHBondContact OG1-OE2 3.35Å; T154-A158 PolarHBondContact O-N 2.87Å
155	Y	98.3	Very high	98.1	Very high	119 Å²	119	72.7 Å²	72.7	47%	0.467	36%	0.363	S	S	.	.	H	α-helix	trans	-53.6	-41.7	172.6	-178.4	-86.4	0	0	0	111.3	E157 A158 S159 F169 E171	Y155-E157 PolarHBondContact O-N 3.42Å; Y155-A158 PolarHBondContact O-N 3.47Å; Y155-S159 VanDerWaalsContact O-CB 3.23Å; Y155-S159 WeakPolarHBondContact O-CB 3.22Å; Y155-S159 PolarHBondContact O-N 3.26Å; Y155-F169 HydrophobicContact CD1-CE1 4.44Å; Y155-F169 AromaticContact CD2-CE1 3.78Å; Y155-F169 HydrophobicContact CD2-CE1 3.78Å; Y155-F169 HydrophobicContact CD2-CZ 4.06Å; Y155-F169 HydrophobicContact CE1-CE1 4.21Å; Y155-F169 HydrophobicContact CE2-CD1 4.31Å; Y155-F169 AromaticContact CE2-CE1 3.5Å; Y155-F169 HydrophobicContact CE2-CE1 3.5Å; Y155-F169 HydrophobicContact CE2-CZ 4.08Å; Y155-F169 HydrophobicContact CG-CE1 4.24Å; Y155-F169 AromaticContact CZ-CE1 3.74Å; Y155-E171 HydrophobicContact CD2-CG 3.94Å; Y155-E171 HydrophobicContact CE2-CG 4.33Å
156	T	98.3	Very high	98	Very high	100 Å²	100	77.3 Å²	77.3	61%	0.613	39%	0.39	S	S	*	.	H	α-helix	trans	-61.3	-45.4	-179.6	-52.4	0	0	0	0	112.3	T154 A158 S159 Q160	T154-T156 PolarHBondContact O-N 3.36Å; T156-A158 PolarHBondContact O-N 2.96Å; T156-S159 PolarHBondContact O-N 2.8Å; T156-Q160 VanDerWaalsContact O-CB 3.32Å; T156-Q160 WeakPolarHBondContact O-CB 3.45Å; T156-Q160 PolarHBondContact O-N 2.75Å
157	E	97.9	Very high	98	Very high	61 Å²	61	75.6 Å²	75.6	29%	0.285	38%	0.381	S	S	.	.	H	α-helix	trans	-63.4	-41.1	178.8	-73.2	168.6	101.4	0	0	112.3	R115 Y118 V153 T154 Y155 F161	R115-E157 IonicContact CZ-OE1 3.5Å; R115-E157 VanDerWaalsContact CZ-OE1 3.23Å; R115-E157 IonicContact CZ-OE2 3.6Å; R115-E157 IonicContact NH1-OE1 3.72Å; R115-E157 PolarHBondContact NH1-OE1 2.72Å; R115-E157 IonicContact NH1-OE2 3.19Å; R115-E157 VanDerWaalsContact NH2-CD 3.29Å; R115-E157 IonicContact NH2-OE1 2.68Å; R115-E157 PolarHBondContact NH2-OE1 2.69Å; R115-E157 IonicContact NH2-OE2 3.03Å; R115-E157 PolarHBondContact NH2-OE2 3.26Å; Y118-E157 PolarHBondContact OH-O 2.9Å; V153-E157 HydrophobicContact CG1-CB 4.47Å; T154-E157 WeakPolarHBondContact CB-OE2 3.47Å; T154-E157 WeakPolarHBondContact CG2-OE2 3.36Å; T154-E157 PolarHBondContact N-OE2 2.91Å; T154-E157 PolarHBondContact O-N 3.19Å; T154-E157 WeakPolarHBondContact OG1-CG 3.49Å; T154-E157 PolarHBondContact OG1-N 3.44Å; T154-E157 PolarHBondContact OG1-OE2 3.35Å; Y155-E157 PolarHBondContact O-N 3.42Å; E157-F161 PolarHBondContact O-N 2.97Å
158	A	98.3	Very high	98	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-73	-37.9	178	0	0	0	0	0	112.6	Y110 Y118 V153 T154 Y155 T156 F161 A162 F169	Y110-A158 HydrophobicContact CE1-CB 3.96Å; Y110-A158 WeakPolarHBondContact OH-CB 3.5Å; Y118-A158 HydrophobicContact CE2-CB 4.25Å; V153-A158 HydrophobicContact CG1-CB 4.41Å; T154-A158 PolarHBondContact O-N 2.87Å; Y155-A158 PolarHBondContact O-N 3.47Å; T156-A158 PolarHBondContact O-N 2.96Å; A158-F161 PolarHBondContact O-N 2.91Å; A158-A162 WeakPolarHBondContact O-CB 3.3Å; A158-A162 PolarHBondContact O-N 2.7Å; A158-F169 HydrophobicContact CB-CE1 4.11Å; A158-F169 HydrophobicContact CB-CE2 3.72Å; A158-F169 HydrophobicContact CB-CZ 3.47Å; A158-F169 VanDerWaalsContact CB-CZ 3.47Å
159	S	98.4	Very high	98.1	Very high	40 Å²	40	71.8 Å²	71.8	28%	0.28	37%	0.369	S	S	.	.	H	α-helix	trans	-65	-39.8	174.3	-172.1	0	0	0	0	111.9	Y155 T156 A162 Q163 F169	Y155-S159 VanDerWaalsContact O-CB 3.23Å; Y155-S159 WeakPolarHBondContact O-CB 3.22Å; Y155-S159 PolarHBondContact O-N 3.26Å; T156-S159 PolarHBondContact O-N 2.8Å; S159-A162 PolarHBondContact O-N 2.76Å; S159-Q163 WeakPolarHBondContact O-CB 3.41Å; S159-Q163 PolarHBondContact O-N 3.27Å; S159-F169 VanDerWaalsContact CA-CD1 3.48Å
160	Q	98.5	Very high	98.1	Very high	101 Å²	101	66.5 Å²	66.5	47%	0.472	34%	0.335	S	S	.	.	H	α-helix	trans	-64.9	-46.3	175.7	-178	177.1	-9.4	0	0	110.8	T156 A162 Q163 E164	T156-Q160 VanDerWaalsContact O-CB 3.32Å; T156-Q160 WeakPolarHBondContact O-CB 3.45Å; T156-Q160 PolarHBondContact O-N 2.75Å; Q160-A162 VanDerWaalsContact C-N 3.26Å; Q160-A162 PolarHBondContact O-N 3.48Å; Q160-Q163 PolarHBondContact O-N 2.98Å; Q160-E164 HydrophobicContact CG-CG 4.34Å; Q160-E164 WeakPolarHBondContact CG-OE1 3.44Å; Q160-E164 PolarHBondContact NE2-OE1 2.99Å; Q160-E164 WeakPolarHBondContact O-CB 3.39Å; Q160-E164 WeakPolarHBondContact O-CG 3.46Å; Q160-E164 PolarHBondContact O-N 2.68Å
161	F	98.7	Very high	98.2	Very high	16 Å²	16	61.4 Å²	61.4	7%	0.07	31%	0.311	C	S	.	.	H	α-helix	trans	-55.1	-43.7	174.4	174.2	-85.6	0	0	0	111.7	Y118 L121 L125 L140 E157 A158 E164 N165 I167	Y118-F161 HydrophobicContact CE2-CB 4.24Å; L121-F161 HydrophobicContact CB-CE1 3.95Å; L121-F161 HydrophobicContact CB-CE2 4.09Å; L121-F161 HydrophobicContact CB-CZ 3.59Å; L121-F161 HydrophobicContact CD1-CD1 4.29Å; L121-F161 HydrophobicContact CD1-CE1 4.2Å; L125-F161 HydrophobicContact CD2-CE1 4.33Å; L125-F161 HydrophobicContact CD2-CZ 4.09Å; L140-F161 HydrophobicContact CD2-CD1 3.82Å; L140-F161 HydrophobicContact CD2-CE1 4.37Å; E157-F161 PolarHBondContact O-N 2.97Å; A158-F161 PolarHBondContact O-N 2.91Å; F161-E164 PolarHBondContact O-N 3.23Å; F161-N165 PolarHBondContact O-N 3.13Å; F161-N165 PolarHBondContact O-ND2 2.69Å; F161-I167 HydrophobicContact CE1-CD1 4.07Å
162	A	98.6	Very high	98.2	Very high	2 Å²	2	59 Å²	59	2%	0.017	30%	0.302	C	S	.	.	H	α-helix	trans	-65.4	-42.1	179.3	0	0	0	0	0	112.6	L140 A158 S159 Q160 N165 D166 I167 F169	L140-A162 HydrophobicContact CD2-CB 4.15Å; A158-A162 WeakPolarHBondContact O-CB 3.3Å; A158-A162 PolarHBondContact O-N 2.7Å; S159-A162 PolarHBondContact O-N 2.76Å; Q160-A162 VanDerWaalsContact C-N 3.26Å; Q160-A162 PolarHBondContact O-N 3.48Å; A162-N165 CarbonylContact O-C 3.6Å; A162-N165 PolarHBondContact O-N 2.92Å; A162-D166 PolarHBondContact O-N 3.24Å; A162-I167 HydrophobicContact CB-CG1 3.93Å; A162-I167 PolarHBondContact O-N 2.81Å; A162-F169 HydrophobicContact CB-CB 3.41Å; A162-F169 VanDerWaalsContact CB-CB 3.41Å; A162-F169 HydrophobicContact CB-CG 4.13Å
163	Q	98.1	Very high	98.2	Very high	158 Å²	158	54.1 Å²	54.1	74%	0.738	28%	0.279	S	S	*	.	H	α-helix	trans	-63.7	-44.5	176.5	-174.4	179.5	12.7	0	0	112.1	S159 Q160 N165 D166	S159-Q163 WeakPolarHBondContact O-CB 3.41Å; S159-Q163 PolarHBondContact O-N 3.27Å; Q160-Q163 PolarHBondContact O-N 2.98Å; Q163-N165 PolarHBondContact O-N 2.54Å; Q163-D166 PolarHBondContact O-N 3.01Å
164	E	98.1	Very high	98.1	Very high	131 Å²	131	54.2 Å²	54.2	61%	0.612	28%	0.28	S	S	*	.	H	α-helix	trans	-62.4	-25.9	178.6	-74	173.9	-177.4	0	0	112.8	Q160 F161	Q160-E164 HydrophobicContact CG-CG 4.34Å; Q160-E164 WeakPolarHBondContact CG-OE1 3.44Å; Q160-E164 PolarHBondContact NE2-OE1 2.99Å; Q160-E164 WeakPolarHBondContact O-CB 3.39Å; Q160-E164 WeakPolarHBondContact O-CG 3.46Å; Q160-E164 PolarHBondContact O-N 2.68Å; F161-E164 PolarHBondContact O-N 3.23Å
165	N	97.5	Very high	98	Very high	59 Å²	59	55.5 Å²	55.5	32%	0.316	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	3	-178.7	-71.8	-84.6	0	0	0	114	L125 F161 A162 Q163 I167	L125-N165 HydrophobicContact CD2-CB 3.62Å; L125-N165 VanDerWaalsContact CD2-CG 3.47Å; L125-N165 VanDerWaalsContact CD2-OD1 3.28Å; L125-N165 WeakPolarHBondContact CD2-OD1 3.43Å; F161-N165 PolarHBondContact O-N 3.13Å; F161-N165 PolarHBondContact O-ND2 2.69Å; A162-N165 CarbonylContact O-C 3.6Å; A162-N165 PolarHBondContact O-N 2.92Å; Q163-N165 PolarHBondContact O-N 2.54Å; N165-I167 VanDerWaalsContact C-N 3.33Å; N165-I167 HydrophobicContact CB-CD1 4.45Å; N165-I167 HydrophobicContact CB-CG1 4.31Å; N165-I167 HydrophobicContact CB-CG2 4.42Å; N165-I167 WeakPolarHBondContact O-CG2 3.32Å; N165-I167 PolarHBondContact O-N 3.25Å
166	D	96.2	Very high	98	Very high	155 Å²	155	53.9 Å²	53.9	83%	0.829	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	46.7	-177.3	-165.3	36.6	0	0	0	113.3	A162 Q163	A162-D166 PolarHBondContact O-N 3.24Å; Q163-D166 PolarHBondContact O-N 3.01Å
167	I	97.5	Very high	97.9	Very high	21 Å²	21	50.3 Å²	50.3	11%	0.108	27%	0.27	C	S	.	.			trans	-120.8	150.5	177.2	65	176	0	0	0	110.5	L108 L125 V138 L140 F161 A162 N165	L108-I167 HydrophobicContact CD2-CD1 4.31Å; L125-I167 HydrophobicContact CD1-CG2 4.26Å; L125-I167 HydrophobicContact CD2-CD1 4.35Å; V138-I167 HydrophobicContact CB-CB 4.18Å; V138-I167 HydrophobicContact CB-CG2 3.72Å; V138-I167 HydrophobicContact CG1-CB 4.49Å; V138-I167 HydrophobicContact CG1-CD1 4.36Å; V138-I167 HydrophobicContact CG1-CG2 4.23Å; V138-I167 HydrophobicContact CG2-CG2 4.47Å; L140-I167 HydrophobicContact CB-CD1 3.95Å; F161-I167 HydrophobicContact CE1-CD1 4.07Å; A162-I167 HydrophobicContact CB-CG1 3.93Å; A162-I167 PolarHBondContact O-N 2.81Å; N165-I167 VanDerWaalsContact C-N 3.33Å; N165-I167 HydrophobicContact CB-CD1 4.45Å; N165-I167 HydrophobicContact CB-CG1 4.31Å; N165-I167 HydrophobicContact CB-CG2 4.42Å; N165-I167 WeakPolarHBondContact O-CG2 3.32Å; N165-I167 PolarHBondContact O-N 3.25Å
168	A	97.8	Very high	97.9	Very high	43 Å²	43	51.3 Å²	51.3	36%	0.355	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	151.9	176.1	0	0	0	0	0	110.5	V138 V139 L140	V138-A168 PolarHBondContact O-N 3.26Å; V139-A168 CarbonylContact C-O 3.52Å; V139-A168 HydrophobicContact CG1-CB 4.33Å; V139-A168 HydrophobicContact CG2-CB 4.13Å; L140-A168 PolarHBondContact N-O 2.69Å
169	F	98.6	Very high	97.9	Very high	32 Å²	32	53.6 Å²	53.6	14%	0.14	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	139.5	-179.8	168.9	-118.5	0	0	0	112.5	Y110 L140 Y155 A158 S159 A162 E171	Y110-F169 HydrophobicContact CE1-CE2 4.09Å; L140-F169 HydrophobicContact CB-CB 4.35Å; L140-F169 HydrophobicContact CB-CD2 4.01Å; L140-F169 HydrophobicContact CD2-CD2 3.69Å; L140-F169 HydrophobicContact CD2-CE2 4.22Å; L140-F169 HydrophobicContact CD2-CG 4.36Å; L140-F169 HydrophobicContact CG-CD2 3.73Å; L140-F169 HydrophobicContact CG-CE2 4.32Å; L140-F169 WeakPolarHBondContact O-CA 3.12Å; Y155-F169 HydrophobicContact CD1-CE1 4.44Å; Y155-F169 AromaticContact CD2-CE1 3.78Å; Y155-F169 HydrophobicContact CD2-CE1 3.78Å; Y155-F169 HydrophobicContact CD2-CZ 4.06Å; Y155-F169 HydrophobicContact CE1-CE1 4.21Å; Y155-F169 HydrophobicContact CE2-CD1 4.31Å; Y155-F169 AromaticContact CE2-CE1 3.5Å; Y155-F169 HydrophobicContact CE2-CE1 3.5Å; Y155-F169 HydrophobicContact CE2-CZ 4.08Å; Y155-F169 HydrophobicContact CG-CE1 4.24Å; Y155-F169 AromaticContact CZ-CE1 3.74Å; A158-F169 HydrophobicContact CB-CE1 4.11Å; A158-F169 HydrophobicContact CB-CE2 3.72Å; A158-F169 HydrophobicContact CB-CZ 3.47Å; A158-F169 VanDerWaalsContact CB-CZ 3.47Å; S159-F169 VanDerWaalsContact CA-CD1 3.48Å; A162-F169 HydrophobicContact CB-CB 3.41Å; A162-F169 VanDerWaalsContact CB-CB 3.41Å; A162-F169 HydrophobicContact CB-CG 4.13Å; F169-E171 HydrophobicContact CE2-CG 4.12Å; F169-E171 HydrophobicContact CZ-CG 3.71Å
170	L	98.5	Very high	97.9	Very high	28 Å²	28	51.9 Å²	51.9	15%	0.147	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	162.1	165.2	57.4	149.8	0	0	0	110.4	V139 L140 I141 G142 N179 A183	V139-L170 HydrophobicContact CG1-CD2 3.52Å; L140-L170 PolarHBondContact O-N 3.27Å; L140-L170 VanDerWaalsContact O-N 3.12Å; I141-L170 WeakPolarHBondContact CA-O 3.22Å; G142-L170 PolarHBondContact N-O 2.78Å; L170-N179 HydrophobicContact CD1-CB 3.58Å; L170-N179 WeakPolarHBondContact CD1-O 3.19Å; L170-A183 HydrophobicContact CD1-CB 3.71Å; L170-A183 HydrophobicContact CD2-CB 4.02Å; L170-A183 HydrophobicContact CG-CB 4.19Å
171	E	98.7	Very high	97.9	Very high	8 Å²	8	51 Å²	51	4%	0.037	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	142.2	167.6	-64.6	-172.4	162.3	0	0	109.9	G142 K145 R151 Y155 F169 N179	G142-E171 CarbonylContact O-C 3.57Å; G142-E171 VanDerWaalsContact O-CA 3.22Å; G142-E171 WeakPolarHBondContact O-CA 3.1Å; K145-E171 HydrophobicContact CB-CB 4.31Å; K145-E171 HydrophobicContact CD-CB 3.8Å; K145-E171 HydrophobicContact CG-CB 4.11Å; R151-E171 IonicContact CZ-OE1 3.86Å; R151-E171 IonicContact CZ-OE2 2.69Å; R151-E171 IonicContact NH1-OE1 3.23Å; R151-E171 PolarHBondContact NH1-OE1 3.03Å; R151-E171 IonicContact NH1-OE2 2.81Å; R151-E171 IonicContact NH2-OE1 3.24Å; R151-E171 PolarHBondContact NH2-OE1 3.41Å; R151-E171 IonicContact NH2-OE2 3.25Å; R151-E171 PolarHBondContact NH2-OE2 3.21Å; Y155-E171 HydrophobicContact CD2-CG 3.94Å; Y155-E171 HydrophobicContact CE2-CG 4.33Å; F169-E171 HydrophobicContact CE2-CG 4.12Å; F169-E171 HydrophobicContact CZ-CG 3.71Å; E171-N179 WeakPolarHBondContact O-CB 3.42Å; E171-N179 PolarHBondContact O-ND2 2.65Å
172	A	98.6	Very high	97.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.29	C	S	.	.			trans	-136.2	164.7	-177.9	0	0	0	0	0	110.9	L46 I141 G142 N143 K144 K145 E178 N179 V180	L46-A172 HydrophobicContact CD2-CB 4.39Å; I141-A172 HydrophobicContact CG2-CB 3.67Å; G142-A172 PolarHBondContact O-N 3Å; N143-A172 CarbonylContact C-O 3.54Å; N143-A172 WeakPolarHBondContact CA-O 3.2Å; N143-A172 PolarHBondContact OD1-O 2.89Å; K144-A172 PolarHBondContact N-O 3.15Å; K145-A172 WeakPolarHBondContact CB-O 3.27Å; K145-A172 PolarHBondContact N-O 3.41Å; K145-A172 VanDerWaalsContact N-O 3.13Å; A172-E178 CarbonylContact C-O 3.51Å; A172-E178 VanDerWaalsContact CA-O 3.22Å; A172-E178 WeakPolarHBondContact CA-O 3.4Å; A172-E178 VanDerWaalsContact CB-O 3.3Å; A172-E178 WeakPolarHBondContact CB-O 3.23Å; A172-N179 HydrophobicContact CB-CB 4.23Å; A172-V180 HydrophobicContact CB-CG2 4.27Å
173	S	98.3	Very high	97.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.29	C	S	.	.			trans	-127.5	113.5	168.1	171.9	0	0	0	0	109.5	D146 L175 T176 G177 E178 V180	D146-S173 VanDerWaalsContact CG-OG 3.28Å; D146-S173 VanDerWaalsContact OD1-CB 3.27Å; D146-S173 WeakPolarHBondContact OD1-CB 3.35Å; D146-S173 PolarHBondContact OD1-OG 3.24Å; S173-L175 PolarHBondContact O-N 3.28Å; S173-L175 PolarHBondContact OG-N 2.77Å; S173-T176 VanDerWaalsContact CB-OG1 3.26Å; S173-T176 WeakPolarHBondContact CB-OG1 3.45Å; S173-T176 PolarHBondContact OG-N 3.28Å; S173-T176 VanDerWaalsContact OG-N 3.09Å; S173-T176 PolarHBondContact OG-OG1 2.8Å; S173-G177 CarbonylContact O-C 3.53Å; S173-G177 VanDerWaalsContact O-CA 3.28Å; S173-G177 WeakPolarHBondContact O-CA 3.48Å; S173-G177 PolarHBondContact O-N 3.47Å; S173-E178 PolarHBondContact N-O 2.93Å; S173-E178 PolarHBondContact O-N 2.98Å; S173-V180 WeakPolarHBondContact O-CG2 3.44Å
174	A	97.1	Very high	97.8	Very high	2 Å²	2	47 Å²	47	2%	0.017	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.5	169.8	0	0	0	0	0	112.5	C45 L46 Q49 F55 N143	C45-A174 HydrophobicContact CB-CB 3.6Å; L46-A174 HydrophobicContact CD2-CB 3.93Å; L46-A174 HydrophobicContact CG-CB 4.1Å; Q49-A174 WeakPolarHBondContact CG-O 3.35Å; F55-A174 HydrophobicContact CD2-CB 4.24Å; F55-A174 WeakPolarHBondContact CD2-O 3.18Å; F55-A174 HydrophobicContact CE2-CB 4.32Å; N143-A174 PolarHBondContact OD1-N 3.18Å
175	L	96.6	Very high	97.8	Very high	90 Å²	90	42.4 Å²	42.4	47%	0.471	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-48.8	179.9	177.9	63.1	0	0	0	111.6	F55 D146 S173	F55-L175 HydrophobicContact CB-CD1 4.37Å; F55-L175 HydrophobicContact CD1-CD1 3.54Å; F55-L175 HydrophobicContact CD2-CB 4.35Å; F55-L175 HydrophobicContact CD2-CD1 4.39Å; F55-L175 HydrophobicContact CE1-CD1 3.83Å; F55-L175 HydrophobicContact CE2-CB 4.43Å; F55-L175 HydrophobicContact CG-CD1 3.84Å; F55-L175 HydrophobicContact CZ-CD1 4.36Å; D146-L175 WeakPolarHBondContact OD2-CD2 3.47Å; S173-L175 PolarHBondContact O-N 3.28Å; S173-L175 PolarHBondContact OG-N 2.77Å
176	T	96.8	Very high	97.7	Very high	85 Å²	85	41.1 Å²	41.1	52%	0.521	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-19.5	-176.8	69.6	0	0	0	0	112.9	D146 S173 E178	D146-T176 HydrophobicContact CB-CG2 4.13Å; S173-T176 VanDerWaalsContact CB-OG1 3.26Å; S173-T176 WeakPolarHBondContact CB-OG1 3.45Å; S173-T176 PolarHBondContact OG-N 3.28Å; S173-T176 VanDerWaalsContact OG-N 3.09Å; S173-T176 PolarHBondContact OG-OG1 2.8Å; T176-E178 VanDerWaalsContact C-N 3.3Å; T176-E178 WeakPolarHBondContact OG1-CB 3.43Å; T176-E178 PolarHBondContact OG1-N 3.27Å
177	G	97.3	Very high	97.8	Very high	25 Å²	25	33.8 Å²	33.8	26%	0.258	19%	0.191	S	C	.	.			trans	85.1	-2.8	-170.6	0	0	0	0	0	114.6	S173 N179 V180	S173-G177 CarbonylContact O-C 3.53Å; S173-G177 VanDerWaalsContact O-CA 3.28Å; S173-G177 WeakPolarHBondContact O-CA 3.48Å; S173-G177 PolarHBondContact O-N 3.47Å; G177-N179 PolarHBondContact O-N 3.13Å; G177-V180 PolarHBondContact O-N 3.27Å
178	E	98.4	Very high	97.8	Very high	81 Å²	81	32.8 Å²	32.8	38%	0.379	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	126.7	-179.3	-171.4	-173.4	164.5	0	0	111	K145 A172 S173 T176 V180	K145-E178 IonicContact NZ-OE1 2.65Å; K145-E178 PolarHBondContact NZ-OE1 3.25Å; A172-E178 CarbonylContact C-O 3.51Å; A172-E178 VanDerWaalsContact CA-O 3.22Å; A172-E178 WeakPolarHBondContact CA-O 3.4Å; A172-E178 VanDerWaalsContact CB-O 3.3Å; A172-E178 WeakPolarHBondContact CB-O 3.23Å; S173-E178 PolarHBondContact N-O 2.93Å; S173-E178 PolarHBondContact O-N 2.98Å; T176-E178 VanDerWaalsContact C-N 3.3Å; T176-E178 WeakPolarHBondContact OG1-CB 3.43Å; T176-E178 PolarHBondContact OG1-N 3.27Å; E178-V180 PolarHBondContact O-N 2.82Å
179	N	98.2	Very high	97.7	Very high	49 Å²	49	35.6 Å²	35.6	26%	0.262	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	9.5	179.5	-51.9	-32.3	0	0	0	116.3	L170 E171 A172 G177 A183	L170-N179 HydrophobicContact CD1-CB 3.58Å; L170-N179 WeakPolarHBondContact CD1-O 3.19Å; E171-N179 WeakPolarHBondContact O-CB 3.42Å; E171-N179 PolarHBondContact O-ND2 2.65Å; A172-N179 HydrophobicContact CB-CB 4.23Å; G177-N179 PolarHBondContact O-N 3.13Å; N179-A183 WeakPolarHBondContact O-CB 3.49Å; N179-A183 PolarHBondContact O-N 3.11Å
180	V	98.3	Very high	97.6	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.018	20%	0.202	C	C	.	.	H	α-helix	trans	-65.7	-50.6	178.9	177	0	0	0	0	109.9	L46 Q49 F50 A172 S173 G177 E178 D182 A183 F184	L46-V180 HydrophobicContact CD2-CG1 4.24Å; L46-V180 HydrophobicContact CD2-CG2 3.74Å; Q49-V180 HydrophobicContact CB-CG1 4.12Å; Q49-V180 HydrophobicContact CG-CB 4.23Å; Q49-V180 HydrophobicContact CG-CG1 4.11Å; Q49-V180 HydrophobicContact CG-CG2 4Å; F50-V180 HydrophobicContact CB-CG1 3.98Å; A172-V180 HydrophobicContact CB-CG2 4.27Å; S173-V180 WeakPolarHBondContact O-CG2 3.44Å; G177-V180 PolarHBondContact O-N 3.27Å; E178-V180 PolarHBondContact O-N 2.82Å; V180-D182 VanDerWaalsContact C-N 3.35Å; V180-D182 PolarHBondContact O-N 2.86Å; V180-A183 PolarHBondContact O-N 3.28Å; V180-F184 HydrophobicContact CG1-CD2 4.32Å; V180-F184 HydrophobicContact CG1-CE2 4.23Å; V180-F184 WeakPolarHBondContact O-CD2 3.48Å; V180-F184 PolarHBondContact O-N 3.49Å
181	E	97.3	Very high	97.3	Very high	84 Å²	84	35.2 Å²	35.2	39%	0.393	20%	0.195	S	C	.	.	H	α-helix	trans	-62	-43.8	178.5	-177	154.6	-156.5	0	0	111.7	F50 H53 A183 F184 L185	F50-E181 HydrophobicContact CE2-CG 4.4Å; H53-E181 IonicContact CE1-OE2 2.73Å; E181-A183 VanDerWaalsContact C-N 3.27Å; E181-A183 PolarHBondContact O-N 2.86Å; E181-F184 PolarHBondContact O-N 3.43Å; E181-L185 HydrophobicContact CG-CD1 3.59Å; E181-L185 HydrophobicContact CG-CG 3.99Å; E181-L185 WeakPolarHBondContact O-CB 3.4Å; E181-L185 VanDerWaalsContact O-CG 3.3Å; E181-L185 WeakPolarHBondContact O-CG 3.41Å; E181-L185 PolarHBondContact O-N 2.82Å
182	D	97.7	Very high	97.1	Very high	90 Å²	90	35 Å²	35	48%	0.481	19%	0.194	S	C	.	.	H	α-helix	trans	-59.2	-36.8	177.6	-59.8	-44.9	0	0	0	112.4	V180 S186	V180-D182 VanDerWaalsContact C-N 3.35Å; V180-D182 PolarHBondContact O-N 2.86Å; D182-S186 WeakPolarHBondContact O-CB 3.44Å; D182-S186 PolarHBondContact O-N 3.08Å; D182-S186 PolarHBondContact O-OG 3.28Å
183	A	98	Very high	96.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-46.4	178.7	0	0	0	0	0	112.7	I141 L170 N179 V180 E181 S186 C187	I141-A183 HydrophobicContact CD1-CB 3.33Å; I141-A183 HydrophobicContact CG1-CB 3.91Å; L170-A183 HydrophobicContact CD1-CB 3.71Å; L170-A183 HydrophobicContact CD2-CB 4.02Å; L170-A183 HydrophobicContact CG-CB 4.19Å; N179-A183 WeakPolarHBondContact O-CB 3.49Å; N179-A183 PolarHBondContact O-N 3.11Å; V180-A183 PolarHBondContact O-N 3.28Å; E181-A183 VanDerWaalsContact C-N 3.27Å; E181-A183 PolarHBondContact O-N 2.86Å; A183-S186 PolarHBondContact O-OG 2.85Å; A183-C187 PolarHBondContact O-N 2.95Å
184	F	98.2	Very high	96.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-73.6	-38.2	-180	-77	-87.8	0	0	0	111.7	L33 V35 L46 F50 I83 I107 V180 E181 A188	L33-F184 HydrophobicContact CD1-CD1 4.25Å; V35-F184 HydrophobicContact CG2-CE1 4.3Å; V35-F184 HydrophobicContact CG2-CZ 4.37Å; L46-F184 HydrophobicContact CB-CE2 4.42Å; F50-F184 HydrophobicContact CB-CD2 3.73Å; F50-F184 HydrophobicContact CB-CE2 3.77Å; F50-F184 HydrophobicContact CB-CG 4.34Å; F50-F184 HydrophobicContact CB-CZ 4.4Å; F50-F184 HydrophobicContact CD1-CB 4.19Å; F50-F184 HydrophobicContact CD1-CD1 4.04Å; F50-F184 HydrophobicContact CD1-CD2 4.14Å; F50-F184 HydrophobicContact CD1-CE1 4.46Å; F50-F184 AromaticContact CD1-CG 3.87Å; F50-F184 HydrophobicContact CD1-CG 3.87Å; F50-F184 HydrophobicContact CD2-CB 3.66Å; F50-F184 AromaticContact CD2-CD2 3.74Å; F50-F184 HydrophobicContact CD2-CD2 3.74Å; F50-F184 AromaticContact CD2-CG 3.83Å; F50-F184 HydrophobicContact CD2-CG 3.83Å; F50-F184 HydrophobicContact CE1-CB 3.97Å; F50-F184 HydrophobicContact CE1-CD1 4.23Å; F50-F184 HydrophobicContact CE1-CG 4.09Å; F50-F184 HydrophobicContact CE2-CB 3.41Å; F50-F184 VanDerWaalsContact CE2-CB 3.41Å; F50-F184 HydrophobicContact CE2-CD2 4.4Å; F50-F184 HydrophobicContact CE2-CG 4.06Å; F50-F184 HydrophobicContact CG-CB 4.04Å; F50-F184 HydrophobicContact CG-CD1 4.31Å; F50-F184 AromaticContact CG-CD2 3.58Å; F50-F184 HydrophobicContact CG-CD2 3.58Å; F50-F184 HydrophobicContact CG-CE2 4.08Å; F50-F184 AromaticContact CG-CG 3.72Å; F50-F184 HydrophobicContact CG-CG 3.72Å; F50-F184 HydrophobicContact CZ-CB 3.56Å; F50-F184 HydrophobicContact CZ-CG 4.17Å; I83-F184 HydrophobicContact CD1-CD1 3.91Å; I83-F184 HydrophobicContact CD1-CE1 3.92Å; I83-F184 HydrophobicContact CG2-CE1 4.04Å; I107-F184 HydrophobicContact CD1-CD1 4.34Å; I107-F184 HydrophobicContact CG1-CD1 4.04Å; I107-F184 HydrophobicContact CG1-CE1 3.76Å; I107-F184 HydrophobicContact CG1-CZ 4.3Å; V180-F184 HydrophobicContact CG1-CD2 4.32Å; V180-F184 HydrophobicContact CG1-CE2 4.23Å; V180-F184 WeakPolarHBondContact O-CD2 3.48Å; V180-F184 PolarHBondContact O-N 3.49Å; E181-F184 PolarHBondContact O-N 3.43Å; F184-A188 PolarHBondContact O-N 3.09Å; F184-A188 VanDerWaalsContact O-N 3.08Å
185	L	97.6	Very high	95.9	Very high	35 Å²	35	41.3 Å²	41.3	18%	0.183	23%	0.233	C	C	.	.	H	α-helix	trans	-69	-42.1	177.9	-68.4	-175.5	0	0	0	112	V72 E181 C187 A188 Q189	V72-L185 HydrophobicContact CB-CD2 3.87Å; V72-L185 HydrophobicContact CG1-CD2 3.77Å; V72-L185 HydrophobicContact CG2-CD2 4.21Å; E181-L185 HydrophobicContact CG-CD1 3.59Å; E181-L185 HydrophobicContact CG-CG 3.99Å; E181-L185 WeakPolarHBondContact O-CB 3.4Å; E181-L185 VanDerWaalsContact O-CG 3.3Å; E181-L185 WeakPolarHBondContact O-CG 3.41Å; E181-L185 PolarHBondContact O-N 2.82Å; L185-C187 VanDerWaalsContact C-N 3.33Å; L185-C187 PolarHBondContact O-N 3.14Å; L185-A188 PolarHBondContact O-N 3.18Å; L185-Q189 WeakPolarHBondContact O-CB 3.31Å; L185-Q189 WeakPolarHBondContact O-CG 3.32Å; L185-Q189 PolarHBondContact O-N 3.13Å
186	S	97	Very high	95.4	Very high	33 Å²	33	41.7 Å²	41.7	23%	0.231	23%	0.233	C	C	.	.	H	α-helix	trans	-61.2	-42.3	175.7	58.5	0	0	0	0	111.6	D182 A183 A188 Q189 S190	D182-S186 WeakPolarHBondContact O-CB 3.44Å; D182-S186 PolarHBondContact O-N 3.08Å; D182-S186 PolarHBondContact O-OG 3.28Å; A183-S186 PolarHBondContact O-OG 2.85Å; S186-A188 PolarHBondContact O-N 3.46Å; S186-Q189 PolarHBondContact O-N 3.05Å; S186-S190 WeakPolarHBondContact O-CB 3.33Å; S186-S190 PolarHBondContact O-N 3.29Å; S186-S190 PolarHBondContact O-OG 3.43Å
187	C	97.8	Very high	95	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.1	-50.7	172.8	-171.2	0	0	0	0	111.4	I107 V139 A183 L185 Q189 S190 I191	I107-C187 HydrophobicContact CD1-CB 3.78Å; V139-C187 HydrophobicContact CB-CB 4.46Å; V139-C187 HydrophobicContact CG2-CB 3.5Å; V139-C187 VanDerWaalsContact CG2-CB 3.5Å; A183-C187 PolarHBondContact O-N 2.95Å; L185-C187 VanDerWaalsContact C-N 3.33Å; L185-C187 PolarHBondContact O-N 3.14Å; C187-Q189 PolarHBondContact O-N 2.92Å; C187-S190 PolarHBondContact O-N 2.97Å; C187-I191 VanDerWaalsContact O-CG1 3.3Å; C187-I191 WeakPolarHBondContact O-CG1 3.34Å; C187-I191 PolarHBondContact O-N 2.82Å
188	A	96.3	Very high	94.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.4	-37	-179.3	0	0	0	0	0	112.7	F31 I74 L81 F184 L185 S186 I191 M192	F31-A188 HydrophobicContact CD2-CB 4.42Å; F31-A188 WeakPolarHBondContact CE2-O 3.25Å; I74-A188 VanDerWaalsContact CD1-C 3.49Å; I74-A188 HydrophobicContact CD1-CB 3.52Å; L81-A188 HydrophobicContact CD1-CB 4.32Å; L81-A188 HydrophobicContact CD2-CB 3.83Å; F184-A188 PolarHBondContact O-N 3.09Å; F184-A188 VanDerWaalsContact O-N 3.08Å; L185-A188 PolarHBondContact O-N 3.18Å; S186-A188 PolarHBondContact O-N 3.46Å; A188-I191 PolarHBondContact O-N 3.28Å; A188-M192 PolarHBondContact O-N 2.89Å
189	Q	96.4	Very high	93	Very high	102 Å²	102	42 Å²	42	48%	0.477	25%	0.248	S	C	.	.	H	α-helix	trans	-65.5	-44	175.7	-74.5	168.4	-2.9	0	0	111.6	I74 L185 S186 C187 I191 M192 A193	I74-Q189 HydrophobicContact CD1-CG 4.32Å; I74-Q189 HydrophobicContact CG1-CG 4.45Å; I74-Q189 HydrophobicContact CG2-CG 3.99Å; L185-Q189 WeakPolarHBondContact O-CB 3.31Å; L185-Q189 WeakPolarHBondContact O-CG 3.32Å; L185-Q189 PolarHBondContact O-N 3.13Å; S186-Q189 PolarHBondContact O-N 3.05Å; C187-Q189 PolarHBondContact O-N 2.92Å; Q189-I191 VanDerWaalsContact C-N 3.32Å; Q189-I191 PolarHBondContact O-N 3.06Å; Q189-M192 WeakPolarHBondContact O-CB 3.5Å; Q189-M192 PolarHBondContact O-N 3Å; Q189-A193 PolarHBondContact O-N 2.75Å
190	S	95.7	Very high	91.6	Very high	52 Å²	52	40.3 Å²	40.3	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-63.8	-37.4	175.4	-68.4	0	0	0	0	112.1	S186 C187 A193 K194	S186-S190 WeakPolarHBondContact O-CB 3.33Å; S186-S190 PolarHBondContact O-N 3.29Å; S186-S190 PolarHBondContact O-OG 3.43Å; C187-S190 PolarHBondContact O-N 2.97Å; S190-A193 PolarHBondContact O-N 3.23Å; S190-K194 WeakPolarHBondContact O-CG 3.23Å; S190-K194 PolarHBondContact O-N 3.07Å; S190-K194 VanDerWaalsContact O-N 3.16Å
191	I	94.1	Very high	89.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.7	-48.2	172.4	-64.5	164.2	0	0	0	109.5	F31 L33 A104 V137 C187 A188 Q189 A193 K194 V195	F31-I191 HydrophobicContact CD1-CG2 3.98Å; F31-I191 HydrophobicContact CD2-CB 3.98Å; F31-I191 HydrophobicContact CD2-CD1 4.22Å; F31-I191 HydrophobicContact CD2-CG2 3.72Å; F31-I191 HydrophobicContact CE1-CG2 3.87Å; F31-I191 HydrophobicContact CE2-CB 3.83Å; F31-I191 HydrophobicContact CE2-CG2 3.58Å; F31-I191 HydrophobicContact CG-CG2 3.94Å; F31-I191 HydrophobicContact CZ-CB 4.35Å; F31-I191 HydrophobicContact CZ-CG2 3.67Å; L33-I191 HydrophobicContact CD2-CD1 3.52Å; A104-I191 HydrophobicContact CB-CD1 4.01Å; A104-I191 HydrophobicContact CB-CG1 4.47Å; A104-I191 HydrophobicContact CB-CG2 4.05Å; V137-I191 HydrophobicContact CB-CG1 3.71Å; V137-I191 HydrophobicContact CG1-CG1 4.37Å; V137-I191 HydrophobicContact CG2-CB 4.45Å; V137-I191 HydrophobicContact CG2-CG1 3.66Å; C187-I191 VanDerWaalsContact O-CG1 3.3Å; C187-I191 WeakPolarHBondContact O-CG1 3.34Å; C187-I191 PolarHBondContact O-N 2.82Å; A188-I191 PolarHBondContact O-N 3.28Å; Q189-I191 VanDerWaalsContact C-N 3.32Å; Q189-I191 PolarHBondContact O-N 3.06Å; I191-A193 VanDerWaalsContact C-N 3.33Å; I191-A193 PolarHBondContact O-N 2.89Å; I191-K194 PolarHBondContact O-N 2.57Å; I191-K194 VanDerWaalsContact O-N 3.09Å; I191-V195 HydrophobicContact CG2-CG2 4.32Å; I191-V195 WeakPolarHBondContact O-CG2 3.43Å; I191-V195 PolarHBondContact O-N 3.21Å
192	M	92.7	Very high	88.1	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-57.2	-45.2	178.9	-170	60.5	72.9	0	0	112	Y29 F31 I74 K77 V79 A188 Q189 K194 V195 E196	Y29-M192 HydrophobicContact CD2-CE 3.47Å; Y29-M192 VanDerWaalsContact CD2-CE 3.47Å; Y29-M192 HydrophobicContact CD2-SD 4.08Å; Y29-M192 HydrophobicContact CE2-CE 3.9Å; Y29-M192 HydrophobicContact CE2-SD 3.93Å; Y29-M192 HydrophobicContact CG-CE 3.95Å; F31-M192 HydrophobicContact CE2-CB 4.36Å; F31-M192 HydrophobicContact CE2-CE 3.98Å; F31-M192 HydrophobicContact CZ-CB 4.4Å; F31-M192 HydrophobicContact CZ-CE 3.57Å; F31-M192 HydrophobicContact CZ-SD 4.13Å; I74-M192 HydrophobicContact CG2-CB 4.2Å; I74-M192 HydrophobicContact CG2-CG 4.17Å; K77-M192 HydrophobicContact CB-CE 4.21Å; V79-M192 HydrophobicContact CG2-CE 3.27Å; A188-M192 PolarHBondContact O-N 2.89Å; Q189-M192 WeakPolarHBondContact O-CB 3.5Å; Q189-M192 PolarHBondContact O-N 3Å; M192-K194 VanDerWaalsContact C-N 3.29Å; M192-K194 PolarHBondContact O-N 3.09Å; M192-V195 WeakPolarHBondContact O-CA 3.5Å; M192-V195 WeakPolarHBondContact O-CB 3.27Å; M192-V195 PolarHBondContact O-N 3.31Å; M192-E196 HydrophobicContact CG-CG 4.31Å; M192-E196 WeakPolarHBondContact O-CG 3.28Å; M192-E196 PolarHBondContact O-N 3.28Å; M192-E196 HydrophobicContact SD-CG 4.4Å
193	A	92.2	Very high	85.8	Confident	55 Å²	55	48.9 Å²	48.9	46%	0.455	27%	0.27	S	S	.	.	H	α-helix	trans	-60.3	-37.6	177.2	0	0	0	0	0	112.5	Q189 S190 I191 S197	Q189-A193 PolarHBondContact O-N 2.75Å; S190-A193 PolarHBondContact O-N 3.23Å; I191-A193 VanDerWaalsContact C-N 3.33Å; I191-A193 PolarHBondContact O-N 2.89Å; A193-S197 WeakPolarHBondContact O-CB 3.27Å; A193-S197 PolarHBondContact O-N 3.36Å; A193-S197 PolarHBondContact O-OG 3.33Å
194	K	90.1	Very high	82.9	Confident	55 Å²	55	52.9 Å²	52.9	24%	0.239	30%	0.297	C	S	.	.	H	α-helix	trans	-69.3	-33.6	173.6	-67.4	-170.7	179.6	-171.3	0	112.3	Q135 I136 V137 S190 I191 M192 S197 G198 T199 Y200	Q135-K194 PolarHBondContact O-NZ 2.97Å; I136-K194 PolarHBondContact O-NZ 3.43Å; V137-K194 HydrophobicContact CG2-CD 3.84Å; S190-K194 WeakPolarHBondContact O-CG 3.23Å; S190-K194 PolarHBondContact O-N 3.07Å; S190-K194 VanDerWaalsContact O-N 3.16Å; I191-K194 PolarHBondContact O-N 2.57Å; I191-K194 VanDerWaalsContact O-N 3.09Å; M192-K194 VanDerWaalsContact C-N 3.29Å; M192-K194 PolarHBondContact O-N 3.09Å; K194-S197 WeakPolarHBondContact CA-OG 3.26Å; K194-S197 PolarHBondContact O-OG 3.17Å; K194-S197 VanDerWaalsContact O-OG 3.09Å; K194-G198 PolarHBondContact O-N 3.36Å; K194-T199 PolarHBondContact O-N 3.4Å; K194-Y200 PolarHBondContact O-N 3.12Å
195	V	87.1	Confident	79.9	Confident	25 Å²	25	59.6 Å²	59.6	15%	0.152	33%	0.326	C	S	.	.	H	α-helix	trans	-67.6	-47.9	175.5	173.5	0	0	0	0	110.6	Y29 F31 I191 M192 S197 G198 Y200 F202	Y29-V195 HydrophobicContact CD1-CG1 4.46Å; Y29-V195 HydrophobicContact CE1-CG1 3.88Å; F31-V195 HydrophobicContact CE1-CG2 4.37Å; F31-V195 HydrophobicContact CZ-CG2 4.4Å; I191-V195 HydrophobicContact CG2-CG2 4.32Å; I191-V195 WeakPolarHBondContact O-CG2 3.43Å; I191-V195 PolarHBondContact O-N 3.21Å; M192-V195 WeakPolarHBondContact O-CA 3.5Å; M192-V195 WeakPolarHBondContact O-CB 3.27Å; M192-V195 PolarHBondContact O-N 3.31Å; V195-S197 VanDerWaalsContact C-N 3.33Å; V195-S197 PolarHBondContact O-N 2.99Å; V195-G198 PolarHBondContact O-N 3.23Å; V195-Y200 HydrophobicContact CG2-CD1 4.13Å; V195-Y200 HydrophobicContact CG2-CG 4.27Å; V195-F202 HydrophobicContact CB-CE2 4.38Å; V195-F202 HydrophobicContact CG1-CE2 4.03Å; V195-F202 HydrophobicContact CG2-CD2 4.4Å; V195-F202 HydrophobicContact CG2-CE2 3.37Å; V195-F202 HydrophobicContact CG2-CZ 3.82Å
196	E	86.3	Confident	76.9	Confident	99 Å²	99	67.1 Å²	67.1	46%	0.463	38%	0.377	S	S	.	.	H	α-helix	trans	-66.6	-33	-179.1	-69.8	178.9	159.3	0	0	112.9	M192 G198	M192-E196 HydrophobicContact CG-CG 4.31Å; M192-E196 WeakPolarHBondContact O-CG 3.28Å; M192-E196 PolarHBondContact O-N 3.28Å; M192-E196 HydrophobicContact SD-CG 4.4Å; E196-G198 PolarHBondContact O-N 3.23Å
197	S	87.6	Confident	75.9	Confident	77 Å²	77	68.8 Å²	68.8	54%	0.538	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-6.1	172.8	59.5	0	0	0	0	113.9	A193 K194 V195 T199	A193-S197 WeakPolarHBondContact O-CB 3.27Å; A193-S197 PolarHBondContact O-N 3.36Å; A193-S197 PolarHBondContact O-OG 3.33Å; K194-S197 WeakPolarHBondContact CA-OG 3.26Å; K194-S197 PolarHBondContact O-OG 3.17Å; K194-S197 VanDerWaalsContact O-OG 3.09Å; V195-S197 VanDerWaalsContact C-N 3.33Å; V195-S197 PolarHBondContact O-N 2.99Å; S197-T199 PolarHBondContact O-N 3.24Å; S197-T199 PolarHBondContact OG-OG1 2.9Å
198	G	79.9	Confident	74.7	Confident	50 Å²	50	72.4 Å²	72.4	52%	0.515	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	6	-175.3	0	0	0	0	0	114.6	K194 V195 E196	K194-G198 PolarHBondContact O-N 3.36Å; V195-G198 PolarHBondContact O-N 3.23Å; E196-G198 PolarHBondContact O-N 3.23Å
199	T	75.6	Confident	73.5	Confident	70 Å²	70	76.4 Å²	76.4	43%	0.429	43%	0.427	S	S	.	.			trans	-72.4	-35.5	178.1	-51.7	0	0	0	0	111.2	Q135 K194 S197	Q135-T199 HydrophobicContact CG-CG2 4.43Å; Q135-T199 WeakPolarHBondContact CG-O 3.34Å; K194-T199 PolarHBondContact O-N 3.4Å; S197-T199 PolarHBondContact O-N 3.24Å; S197-T199 PolarHBondContact OG-OG1 2.9Å
200	Y	67	Low	72.2	Confident	14 Å²	14	74.9 Å²	74.9	6%	0.055	42%	0.424	C	S	.	.	S	Bend	trans	-91.3	105	176.3	-162.7	-81.2	0	0	0	110.5	A104 S133 Q135 K194 V195 F202	A104-Y200 WeakPolarHBondContact CA-OH 3.38Å; A104-Y200 HydrophobicContact CB-CE1 4.33Å; A104-Y200 HydrophobicContact CB-CE2 4.04Å; A104-Y200 VanDerWaalsContact CB-OH 3.25Å; A104-Y200 WeakPolarHBondContact CB-OH 3.26Å; S133-Y200 WeakPolarHBondContact CB-OH 3.33Å; S133-Y200 PolarHBondContact OG-OH 3.33Å; Q135-Y200 HydrophobicContact CB-CD2 3.73Å; Q135-Y200 HydrophobicContact CB-CE2 4.22Å; K194-Y200 PolarHBondContact O-N 3.12Å; V195-Y200 HydrophobicContact CG2-CD1 4.13Å; V195-Y200 HydrophobicContact CG2-CG 4.27Å; Y200-F202 HydrophobicContact CD1-CD1 4.22Å; Y200-F202 HydrophobicContact CD1-CD2 4.03Å; Y200-F202 HydrophobicContact CD1-CE1 4.04Å; Y200-F202 AromaticContact CD1-CE2 3.88Å; Y200-F202 HydrophobicContact CD1-CE2 3.88Å; Y200-F202 HydrophobicContact CD1-CG 4.19Å; Y200-F202 AromaticContact CD1-CZ 3.84Å; Y200-F202 HydrophobicContact CD1-CZ 3.84Å; Y200-F202 AromaticContact CE1-CD1 3.64Å; Y200-F202 HydrophobicContact CE1-CD1 3.64Å; Y200-F202 HydrophobicContact CE1-CD2 4.29Å; Y200-F202 AromaticContact CE1-CE1 3.49Å; Y200-F202 HydrophobicContact CE1-CE1 3.49Å; Y200-F202 VanDerWaalsContact CE1-CE1 3.49Å; Y200-F202 HydrophobicContact CE1-CE2 4.18Å; Y200-F202 HydrophobicContact CE1-CG 4.02Å; Y200-F202 AromaticContact CE1-CZ 3.75Å; Y200-F202 HydrophobicContact CE1-CZ 3.75Å
201	I	60.6	Low	70.7	Confident	112 Å²	112	76.4 Å²	76.4	57%	0.574	43%	0.428	S	S	*	.			trans	-90.3	111.2	174	-57.4	175.9	0	0	0	108.1	Y203	I201-Y203 PolarHBondContact O-N 2.82Å
202	F	62.8	Low	69.2	Low	69 Å²	69	81.5 Å²	81.5	30%	0.303	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-67.8	117.4	165.6	-72.1	-79.9	0	0	0	108.7	F31 V195 Y200	F31-F202 HydrophobicContact CD1-CE1 4.34Å; F31-F202 AromaticContact CD1-CZ 3.82Å; F31-F202 HydrophobicContact CD1-CZ 3.82Å; F31-F202 HydrophobicContact CE1-CE2 4.32Å; F31-F202 AromaticContact CE1-CZ 3.6Å; F31-F202 HydrophobicContact CE1-CZ 3.6Å; V195-F202 HydrophobicContact CB-CE2 4.38Å; V195-F202 HydrophobicContact CG1-CE2 4.03Å; V195-F202 HydrophobicContact CG2-CD2 4.4Å; V195-F202 HydrophobicContact CG2-CE2 3.37Å; V195-F202 HydrophobicContact CG2-CZ 3.82Å; Y200-F202 HydrophobicContact CD1-CD1 4.22Å; Y200-F202 HydrophobicContact CD1-CD2 4.03Å; Y200-F202 HydrophobicContact CD1-CE1 4.04Å; Y200-F202 AromaticContact CD1-CE2 3.88Å; Y200-F202 HydrophobicContact CD1-CE2 3.88Å; Y200-F202 HydrophobicContact CD1-CG 4.19Å; Y200-F202 AromaticContact CD1-CZ 3.84Å; Y200-F202 HydrophobicContact CD1-CZ 3.84Å; Y200-F202 AromaticContact CE1-CD1 3.64Å; Y200-F202 HydrophobicContact CE1-CD1 3.64Å; Y200-F202 HydrophobicContact CE1-CD2 4.29Å; Y200-F202 AromaticContact CE1-CE1 3.49Å; Y200-F202 HydrophobicContact CE1-CE1 3.49Å; Y200-F202 VanDerWaalsContact CE1-CE1 3.49Å; Y200-F202 HydrophobicContact CE1-CE2 4.18Å; Y200-F202 HydrophobicContact CE1-CG 4.02Å; Y200-F202 AromaticContact CE1-CZ 3.75Å; Y200-F202 HydrophobicContact CE1-CZ 3.75Å
203	Y	48.5	Very low	67.5	Low	175 Å²	175	87.1 Å²	87.1	69%	0.686	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-77.2	126.5	162.9	-69.1	-79.9	0	0	0	107.9	I201 F205	I201-Y203 PolarHBondContact O-N 2.82Å; Y203-F205 PolarHBondContact O-N 3.08Å
204	P	37.6	Very low	65.6	Low	85 Å²	85	89.5 Å²	89.5	55%	0.552	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-55.7	125.4	169.1	20.9	-28.7	0	0	0	108.2	Y6	Y6-P204 HydrophobicContact CE1-CB 4.12Å
205	F	36.2	Very low	63.5	Low	140 Å²	140	92.4 Å²	92.4	61%	0.614	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-68.6	138.9	164.5	-94.2	-92.3	0	0	0	107.9	Y203	Y203-F205 PolarHBondContact O-N 3.08Å
206	P	33.4	Very low	61.4	Low	193 Å²	193	98.5 Å²	98.5	100%	1.253	54%	0.544	S	S	*	.			trans	-60	0	-178.7	25.7	-34.5	0	0	0	112.9

Retrieved 206 of 206 residues in 371.4 ms (Link to these results)

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