A0A077YX58_TRITR Loading...

Acrosin

AlphaFold DB , UniProt , Accession A0A077YX58, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 370 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	44	Very low	52.1	Low	237 Å²	237	158.5 Å²	158.5	100%	1.167	85%	0.849	S	S	*	*				0	102.7	0	-82.5	169.1	62.4	0	0	109.4
2	K	44.2	Very low	52.4	Low	209 Å²	209	154.4 Å²	154.4	91%	0.909	84%	0.842	S	S	*	*			trans	-176.5	87.4	160.9	-101.6	166.4	-172.9	-176.4	0	106.1
3	I	46.7	Very low	52.4	Low	161 Å²	161	151.5 Å²	151.5	83%	0.826	84%	0.838	S	S	*	*			trans	-84.8	113.3	177.8	-67.3	167.8	0	0	0	106.6
4	L	54.1	Low	52.1	Low	155 Å²	155	153.1 Å²	153.1	81%	0.812	84%	0.836	S	S	*	*			trans	-86.3	114.2	176	-170.9	70.7	0	0	0	108.1	L6	L4-L6 PolarHBondContact O-N 3.35Å
5	F	48.6	Very low	51.8	Low	194 Å²	194	150.9 Å²	150.9	85%	0.851	83%	0.829	S	S	*	*			trans	-71.5	112.9	172.6	-100.3	-96.6	0	0	0	109.6
6	L	59.1	Low	51.5	Low	151 Å²	151	149.3 Å²	149.3	79%	0.791	83%	0.825	S	S	*	*			trans	-86	110.7	167.5	-100.5	147.2	0	0	0	108.7	L4 I8	L4-L6 PolarHBondContact O-N 3.35Å; L6-I8 PolarHBondContact O-N 3.31Å
7	L	51.3	Low	51.4	Low	161 Å²	161	150.4 Å²	150.4	84%	0.843	83%	0.828	S	S	*	*			trans	-73.7	111.1	168.9	-82.8	160.1	0	0	0	109.2
8	I	57.8	Low	51.4	Low	159 Å²	159	145.7 Å²	145.7	82%	0.815	82%	0.82	S	S	*	*			trans	-83.6	111.6	169.6	-63.1	175	0	0	0	107.7	L6 A10	L6-I8 PolarHBondContact O-N 3.31Å; I8-A10 PolarHBondContact O-N 3.14Å
9	V	57.3	Low	51.6	Low	131 Å²	131	146.6 Å²	146.6	79%	0.794	82%	0.817	S	S	*	*			trans	-78.4	104.5	168.6	178.5	0	0	0	0	107.7	A11	V9-A11 PolarHBondContact O-N 3.08Å
10	A	54.9	Low	52.4	Low	88 Å²	88	146.9 Å²	146.9	73%	0.727	81%	0.812	S	S	*	*			trans	-74.2	104	169.2	0	0	0	0	0	109.1	I8 S12	I8-A10 PolarHBondContact O-N 3.14Å; A10-S12 PolarHBondContact O-N 3.11Å
11	A	55.4	Low	53.6	Low	97 Å²	97	143 Å²	143	80%	0.802	79%	0.785	S	S	*	*			trans	-71.4	105	167.4	0	0	0	0	0	108.9	V9 C13	V9-A11 PolarHBondContact O-N 3.08Å; A11-C13 PolarHBondContact O-N 3.4Å
12	S	55	Low	55.8	Low	110 Å²	110	136.7 Å²	136.7	77%	0.769	75%	0.753	S	S	*	*			trans	-68.2	107.4	170.6	43.5	0	0	0	0	109.9	A10 Q14	A10-S12 PolarHBondContact O-N 3.11Å; S12-Q14 PolarHBondContact O-N 3.2Å
13	C	52.2	Low	58.2	Low	116 Å²	116	128.5 Å²	128.5	78%	0.784	72%	0.721	S	S	*	*			trans	-69.2	104.4	166.8	-170.5	0	0	0	0	108.3	A11 V15	A11-C13 PolarHBondContact O-N 3.4Å; C13-V15 PolarHBondContact O-N 2.76Å; C13-V15 VanDerWaalsContact O-N 3.13Å
14	Q	49.3	Very low	60.5	Low	174 Å²	174	120.9 Å²	120.9	81%	0.813	68%	0.682	S	S	*	*			trans	-71.3	101.9	166.2	-74.1	-177.6	-21.7	0	0	107.6	S12 T16	S12-Q14 PolarHBondContact O-N 3.2Å; Q14-T16 PolarHBondContact O-N 2.69Å
15	V	47	Very low	62.4	Low	120 Å²	120	115.9 Å²	115.9	73%	0.727	66%	0.656	S	S	*	*			trans	-60.3	107.6	162	178.5	0	0	0	0	106.1	C13 L17	C13-V15 PolarHBondContact O-N 2.76Å; C13-V15 VanDerWaalsContact O-N 3.13Å; V15-L17 PolarHBondContact O-N 3.2Å
16	T	46.6	Very low	64.4	Low	126 Å²	126	107.8 Å²	107.8	77%	0.773	63%	0.625	S	S	*	*			trans	-57.2	103.3	167	48.1	0	0	0	0	107	Q14 G18	Q14-T16 PolarHBondContact O-N 2.69Å; T16-G18 PolarHBondContact O-N 3.23Å
17	L	50.8	Low	65.6	Low	167 Å²	167	103.6 Å²	103.6	87%	0.874	60%	0.6	S	S	*	*			trans	-50.5	113.3	167.4	-81.4	155.1	0	0	0	106.2	V15 E19	V15-L17 PolarHBondContact O-N 3.2Å; L17-E19 PolarHBondContact O-N 3.32Å
18	G	49.8	Very low	67	Low	67 Å²	67	100 Å²	100	69%	0.691	58%	0.576	S	S	*	*			trans	-50.1	137	-177.2	0	0	0	0	0	109.9	T16 Q20	T16-G18 PolarHBondContact O-N 3.23Å; G18-Q20 PolarHBondContact O-N 2.91Å
19	E	55.5	Low	68	Low	162 Å²	162	97.2 Å²	97.2	76%	0.757	57%	0.571	S	S	*	*			trans	-45.2	108.2	178.8	-166.4	169.4	-174.4	0	0	109.6	L17 W21	L17-E19 PolarHBondContact O-N 3.32Å; E19-W21 VanDerWaalsContact O-CD1 3.26Å; E19-W21 PolarHBondContact O-N 2.81Å
20	Q	67.8	Low	68.9	Low	153 Å²	153	92.4 Å²	92.4	72%	0.715	54%	0.541	S	S	*	.			trans	-75.5	95.2	-176.5	-172.8	178.4	-4.9	0	0	107.3	G18 Q22	G18-Q20 PolarHBondContact O-N 2.91Å; Q20-Q22 VanDerWaalsContact O-CG 3.28Å; Q20-Q22 WeakPolarHBondContact O-CG 3.42Å; Q20-Q22 PolarHBondContact O-N 3.02Å; Q20-Q22 VanDerWaalsContact O-N 3.15Å
21	W	78.9	Confident	69.4	Low	66 Å²	66	93.8 Å²	93.8	25%	0.25	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-54.7	120.5	173.8	-69.5	87.8	0	0	0	109.5	E19 Y159	E19-W21 VanDerWaalsContact O-CD1 3.26Å; E19-W21 PolarHBondContact O-N 2.81Å; W21-Y159 HydrophobicContact CB-CD2 3.4Å; W21-Y159 VanDerWaalsContact CB-CD2 3.4Å; W21-Y159 HydrophobicContact CB-CE2 4.06Å; W21-Y159 HydrophobicContact CB-CG 4.26Å; W21-Y159 HydrophobicContact CD2-CD2 4.35Å; W21-Y159 HydrophobicContact CD2-CG 4.49Å; W21-Y159 AromaticContact CG-CD2 3.67Å; W21-Y159 HydrophobicContact CG-CD2 3.67Å; W21-Y159 HydrophobicContact CG-CG 4.26Å
22	Q	88.4	Confident	69.6	Low	103 Å²	103	93.8 Å²	93.8	48%	0.481	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-96.9	144.8	-176.6	-49	-179.1	-30.1	0	0	110.2	Q20 I25 R249	Q20-Q22 VanDerWaalsContact O-CG 3.28Å; Q20-Q22 WeakPolarHBondContact O-CG 3.42Å; Q20-Q22 PolarHBondContact O-N 3.02Å; Q20-Q22 VanDerWaalsContact O-N 3.15Å; Q22-I25 HydrophobicContact CB-CG1 4.37Å; Q22-R249 VanDerWaalsContact OE1-NH1 3.12Å
23	C	95.2	Very high	69.9	Low	37 Å²	37	93.7 Å²	93.7	25%	0.25	51%	0.513	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	160.6	174.8	66.7	0	0	0	0	112.4	I25 P165 C167 R249	C23-I25 VanDerWaalsContact C-N 3.27Å; C23-I25 PolarHBondContact O-N 2.96Å; C23-P165 CarbonylContact C-O 3.55Å; C23-P165 WeakPolarHBondContact CA-O 3.2Å; C23-P165 HydrophobicContact CB-CG 4.25Å; C23-C167 HydrophobicContact CB-CB 3.96Å; C23-C167 WeakPolarHBondContact CB-SG 3.47Å; C23-C167 PolarHBondContact O-SG 3Å; C23-C167 WeakPolarHBondContact SG-CA 3.22Å; C23-C167 WeakPolarHBondContact SG-CB 3.4Å; C23-C167 CovalentContact SG-SG 2.05Å; C23-C167 PolarHBondContact SG-SG 3.14Å; C23-R249 PolarHBondContact O-NH1 3.19Å
24	G	95.8	Very high	70	Confident	1 Å²	1	91.3 Å²	91.3	1%	0.01	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	20.9	165.8	0	0	0	0	0	114.6	P165 I250	G24-P165 PolarHBondContact N-O 3.46Å; G24-I250 VanDerWaalsContact CA-O 3.23Å; G24-I250 WeakPolarHBondContact CA-O 3.17Å; G24-I250 PolarHBondContact O-N 3.1Å
25	I	94	Very high	70	Confident	51 Å²	51	93.4 Å²	93.4	26%	0.262	50%	0.503	S	S	.	.			trans	-97.8	106.7	176	-54.9	-57.1	0	0	0	109.2	Q22 C23 R164 R249	Q22-I25 HydrophobicContact CB-CG1 4.37Å; C23-I25 VanDerWaalsContact C-N 3.27Å; C23-I25 PolarHBondContact O-N 2.96Å; I25-R164 VanDerWaalsContact CG2-NH1 3.25Å; I25-R249 HydrophobicContact CD1-CG 4.49Å
26	A	89.4	Confident	69.9	Low	23 Å²	23	93.3 Å²	93.3	19%	0.19	50%	0.503	C	S	.	.			trans	-71.7	148.2	171.8	0	0	0	0	0	110.8	Y28 S50 W53	A26-Y28 WeakPolarHBondContact CB-O 3.36Å; A26-Y28 PolarHBondContact O-N 3.25Å; A26-S50 WeakPolarHBondContact CB-O 3.01Å; A26-W53 HydrophobicContact CB-CH2 3.89Å; A26-W53 HydrophobicContact CB-CZ3 4.4Å
27	K	84.1	Confident	69.8	Low	63 Å²	63	89.8 Å²	89.8	27%	0.274	49%	0.491	S	S	.	.	S	Bend	trans	-62.9	-32.1	173.9	-173.3	173.6	-173.7	168	0	112.4	H49 D161 E162	K27-H49 HydrophobicContact CD-CB 4.49Å; K27-D161 HydrophobicContact CD-CB 4.07Å; K27-D161 HydrophobicContact CG-CB 4.42Å; K27-E162 IonicContact NZ-OE1 2.73Å; K27-E162 PolarHBondContact NZ-OE1 2.73Å
28	Y	82.2	Confident	69	Low	85 Å²	85	89.1 Å²	89.1	33%	0.333	49%	0.489	S	S	.	.	S	Bend	trans	-131	147.9	176.9	-57.6	-68.4	0	0	0	109.4	A26 L30 K47	A26-Y28 WeakPolarHBondContact CB-O 3.36Å; A26-Y28 PolarHBondContact O-N 3.25Å; Y28-L30 PolarHBondContact O-N 3.19Å; Y28-K47 HydrophobicContact CD1-CD 4.24Å; Y28-K47 HydrophobicContact CD2-CB 4.41Å; Y28-K47 HydrophobicContact CD2-CD 3.43Å; Y28-K47 VanDerWaalsContact CD2-CD 3.43Å; Y28-K47 HydrophobicContact CD2-CG 3.88Å; Y28-K47 HydrophobicContact CE1-CD 4.48Å; Y28-K47 HydrophobicContact CE2-CD 3.69Å; Y28-K47 HydrophobicContact CE2-CG 4Å; Y28-K47 HydrophobicContact CG-CD 3.72Å; Y28-K47 VanDerWaalsContact CZ-CE 3.43Å; Y28-K47 VanDerWaalsContact CZ-NZ 3.28Å
29	S	79.1	Confident	68.4	Low	101 Å²	101	94.6 Å²	94.6	71%	0.706	49%	0.488	S	S	*	.			trans	-55.3	134.2	171.8	-171.3	0	0	0	0	110.2	N31	S29-N31 PolarHBondContact O-N 3.19Å
30	L	75.6	Confident	68.1	Low	31 Å²	31	87.5 Å²	87.5	16%	0.162	46%	0.456	C	S	.	.			trans	-70.4	97	173.9	-60.8	-176.7	0	0	0	108.2	Y28 P32 L51 F182 M201 F243 I250	Y28-L30 PolarHBondContact O-N 3.19Å; L30-P32 WeakPolarHBondContact O-CD 3.28Å; L30-L51 HydrophobicContact CD2-CD2 3.67Å; L30-F182 HydrophobicContact CD1-CD2 4.23Å; L30-F182 HydrophobicContact CD1-CE2 4.43Å; L30-M201 HydrophobicContact CD2-CE 3.9Å; L30-F243 HydrophobicContact CD1-CD2 4.21Å; L30-F243 HydrophobicContact CD1-CE2 3.72Å; L30-I250 HydrophobicContact CD1-CD1 3.46Å; L30-I250 VanDerWaalsContact CD1-CD1 3.46Å; L30-I250 HydrophobicContact CD1-CG1 3.99Å; L30-I250 HydrophobicContact CG-CD1 4.25Å
31	N	64.6	Low	67.5	Low	116 Å²	116	81.8 Å²	81.8	62%	0.62	43%	0.431	S	S	*	.			trans	-77.7	121.1	171.7	-73.9	-24	0	0	0	108.6	S29 K33	S29-N31 PolarHBondContact O-N 3.19Å; N31-K33 PolarHBondContact O-N 2.81Å
32	P	59.6	Low	66.9	Low	97 Å²	97	80.3 Å²	80.3	63%	0.63	44%	0.436	S	S	*	.	S	Bend	trans	-66.2	101.1	172	25.4	-30	0	0	0	108.2	L30 F182	L30-P32 WeakPolarHBondContact O-CD 3.28Å; P32-F182 HydrophobicContact CB-CZ 4.35Å
33	K	61.2	Low	66.4	Low	108 Å²	108	75.4 Å²	75.4	47%	0.47	41%	0.414	S	S	.	.			trans	70	118.6	178	-59.4	172.6	-174	161.6	0	116.7	N31 W44 D203 K231	N31-K33 PolarHBondContact O-N 2.81Å; K33-W44 HydrophobicContact CG-CE3 3.96Å; K33-W44 HydrophobicContact CG-CH2 3.95Å; K33-W44 HydrophobicContact CG-CZ3 3.58Å; K33-D203 VanDerWaalsContact CE-OD1 3.31Å; K33-D203 WeakPolarHBondContact CE-OD1 3.45Å; K33-D203 IonicContact NZ-OD2 3.58Å; K33-K231 VanDerWaalsContact NZ-NZ 3.16Å
34	P	55	Low	65.9	Low	66 Å²	66	74.7 Å²	74.7	43%	0.429	41%	0.406	S	S	.	.			trans	-59.5	141.8	151.3	-13.4	27.5	0	0	0	109	T36 W44	P34-T36 PolarHBondContact O-N 3.46Å; P34-W44 VanDerWaalsContact CD-CG 3.42Å; P34-W44 HydrophobicContact CG-CB 4.32Å; P34-W44 HydrophobicContact CG-CG 3.99Å
35	K	49.3	Very low	65.6	Low	218 Å²	218	79.6 Å²	79.6	95%	0.948	43%	0.428	S	S	*	.	S	Bend	trans	-61.6	1.7	-179.3	-70.4	-175	177	-178.8	0	114.6
36	T	45.1	Very low	65.5	Low	119 Å²	119	77.3 Å²	77.3	73%	0.73	42%	0.417	S	S	*	.			trans	-150.5	117.9	-173.8	54	0	0	0	0	109.9	P34	P34-T36 PolarHBondContact O-N 3.46Å
37	G	44.8	Very low	65.7	Low	52 Å²	52	81.6 Å²	81.6	54%	0.536	43%	0.431	S	S	.	.			trans	165.2	97.6	168.5	0	0	0	0	0	116.2
38	N	34.3	Very low	66.1	Low	153 Å²	153	81.3 Å²	81.3	82%	0.818	44%	0.436	S	S	*	.			trans	-86.5	113.7	158.1	-82.5	-22.5	0	0	0	108.4
39	R	36.1	Very low	66.6	Low	181 Å²	181	79.2 Å²	79.2	68%	0.683	43%	0.429	S	S	*	.			trans	169.8	46	149.7	-95.7	174.3	-86.3	175.3	-8.1	116.6	T189	R39-T189 WeakPolarHBondContact O-CB 3.36Å; R39-T189 WeakPolarHBondContact O-CG2 3.31Å
40	I	48.8	Very low	67.3	Low	14 Å²	14	74.7 Å²	74.7	7%	0.072	40%	0.398	C	S	.	.	S	Bend	trans	-127.5	178.8	131	-71.7	-147.3	0	0	0	105.2	G42 G43 T189 Q200	I40-G42 PolarHBondContact O-N 3.13Å; I40-G43 PolarHBondContact N-O 3.03Å; I40-T189 CarbonylContact C-O 3.6Å; I40-T189 WeakPolarHBondContact CA-O 3.15Å; I40-T189 HydrophobicContact CD1-CG2 4.46Å; I40-T189 HydrophobicContact CG1-CG2 3.9Å; I40-Q200 HydrophobicContact CD1-CB 3.1Å; I40-Q200 HydrophobicContact CD1-CG 3.44Å; I40-Q200 VanDerWaalsContact CD1-CG 3.44Å; I40-Q200 HydrophobicContact CG1-CB 3.56Å; I40-Q200 HydrophobicContact CG1-CG 3.58Å
41	V	56.9	Low	68.3	Low	33 Å²	33	73.5 Å²	73.5	20%	0.2	39%	0.391	C	S	.	.	S	Bend	trans	-60.3	101.7	165	-143	0	0	0	0	104.2	G43 T189 G230 K231 A263	V41-G43 VanDerWaalsContact C-N 3.29Å; V41-G43 PolarHBondContact O-N 2.98Å; V41-T189 PolarHBondContact N-O 2.86Å; V41-G230 CarbonylContact C-O 3.52Å; V41-G230 WeakPolarHBondContact CB-O 3.37Å; V41-G230 VanDerWaalsContact CG1-C 3.46Å; V41-G230 VanDerWaalsContact CG1-O 3.23Å; V41-G230 WeakPolarHBondContact CG1-O 3.49Å; V41-K231 VanDerWaalsContact O-CA 3.23Å; V41-K231 WeakPolarHBondContact O-CA 3.5Å; V41-A263 HydrophobicContact CB-CB 3.48Å; V41-A263 VanDerWaalsContact CB-CB 3.48Å; V41-A263 HydrophobicContact CG1-CB 3.53Å; V41-A263 HydrophobicContact CG2-CB 3.77Å
42	G	66.3	Low	69.8	Low	35 Å²	35	68.1 Å²	68.1	36%	0.361	36%	0.362	S	S	.	.	S	Bend	trans	57.9	10.2	-175.7	0	0	0	0	0	120	I40 G230 K231	I40-G42 PolarHBondContact O-N 3.13Å; G42-G230 WeakPolarHBondContact CA-O 3.06Å; G42-G230 PolarHBondContact N-O 2.8Å; G42-K231 WeakPolarHBondContact O-CE 3.47Å
43	G	76.6	Confident	71.7	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.332	C	S	.	.			trans	-93.3	179	172.5	0	0	0	0	0	115.2	I40 V41 M201	I40-G43 PolarHBondContact N-O 3.03Å; V41-G43 VanDerWaalsContact C-N 3.29Å; V41-G43 PolarHBondContact O-N 2.98Å; G43-M201 CarbonylContact C-O 3.55Å; G43-M201 VanDerWaalsContact CA-O 3.32Å; G43-M201 WeakPolarHBondContact CA-O 3.27Å
44	W	85.4	Confident	73.4	Confident	22 Å²	22	58.5 Å²	58.5	8%	0.083	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	160.2	-178.6	61.6	92	0	0	0	112.4	K33 P34 A46 F182 Q200 M201 D203	K33-W44 HydrophobicContact CG-CE3 3.96Å; K33-W44 HydrophobicContact CG-CH2 3.95Å; K33-W44 HydrophobicContact CG-CZ3 3.58Å; P34-W44 VanDerWaalsContact CD-CG 3.42Å; P34-W44 HydrophobicContact CG-CB 4.32Å; P34-W44 HydrophobicContact CG-CG 3.99Å; W44-A46 PolarHBondContact O-N 3.08Å; W44-F182 HydrophobicContact CH2-CD1 4.15Å; W44-F182 HydrophobicContact CH2-CE1 4Å; W44-F182 HydrophobicContact CZ2-CD1 4.22Å; W44-F182 HydrophobicContact CZ2-CE1 4.08Å; W44-Q200 VanDerWaalsContact C-OE1 3.22Å; W44-Q200 CarbonylContact O-C 3.56Å; W44-Q200 WeakPolarHBondContact O-CA 3.46Å; W44-Q200 PolarHBondContact O-OE1 2.91Å; W44-M201 HydrophobicContact CZ2-CG 4.19Å; W44-M201 HydrophobicContact CZ2-SD 4.07Å; W44-M201 PolarHBondContact N-O 3.45Å; W44-M201 PolarHBondContact O-N 3.26Å; W44-D203 HydrophobicContact CH2-CB 4.08Å; W44-D203 HydrophobicContact CZ3-CB 4.42Å; W44-D203 WeakPolarHBondContact CZ3-OD1 3.17Å
45	E	90.2	Very high	75.4	Confident	103 Å²	103	55.4 Å²	55.4	48%	0.481	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	126.8	175.2	-173.7	174.4	153.6	0	0	110.1	H115 A198 Q200	E45-H115 IonicContact OE1-CD2 3.92Å; E45-H115 IonicContact OE1-CE1 2.73Å; E45-H115 IonicContact OE1-NE2 2.8Å; E45-H115 PolarHBondContact OE1-NE2 3.25Å; E45-A198 HydrophobicContact CG-CB 4.02Å; E45-Q200 VanDerWaalsContact N-OE1 3.09Å
46	A	91.6	Very high	77.7	Confident	3 Å²	3	45 Å²	45	3%	0.025	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-63.6	145.6	173.1	0	0	0	0	0	108.9	W44 L51 H115 L199 M201	W44-A46 PolarHBondContact O-N 3.08Å; A46-L51 HydrophobicContact CB-CD1 4.19Å; A46-H115 PolarHBondContact O-CE1 3.1Å; A46-L199 HydrophobicContact CB-CB 4.48Å; A46-L199 HydrophobicContact CB-CD2 4.36Å; A46-L199 HydrophobicContact CB-CG 4.1Å; A46-L199 PolarHBondContact N-O 3.15Å; A46-M201 HydrophobicContact CB-CB 4.49Å
47	K	92.1	Very high	80.2	Confident	113 Å²	113	39.3 Å²	39.3	49%	0.491	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-60.6	136.1	172.2	-177.6	172.9	176.6	-170.9	0	108.3	Y28 H49 S50	Y28-K47 HydrophobicContact CD1-CD 4.24Å; Y28-K47 HydrophobicContact CD2-CB 4.41Å; Y28-K47 HydrophobicContact CD2-CD 3.43Å; Y28-K47 VanDerWaalsContact CD2-CD 3.43Å; Y28-K47 HydrophobicContact CD2-CG 3.88Å; Y28-K47 HydrophobicContact CE1-CD 4.48Å; Y28-K47 HydrophobicContact CE2-CD 3.69Å; Y28-K47 HydrophobicContact CE2-CG 4Å; Y28-K47 HydrophobicContact CG-CD 3.72Å; Y28-K47 VanDerWaalsContact CZ-CE 3.43Å; Y28-K47 VanDerWaalsContact CZ-NZ 3.28Å; K47-H49 PolarHBondContact O-N 3.33Å; K47-S50 PolarHBondContact N-OG 3.01Å; K47-S50 WeakPolarHBondContact O-CB 3.26Å; K47-S50 PolarHBondContact O-N 2.94Å; K47-S50 PolarHBondContact O-OG 3.12Å
48	P	93.2	Very high	82.6	Confident	57 Å²	57	37.8 Å²	37.8	37%	0.37	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	128.1	-178.5	-30.2	33.4	0	0	0	113	S50 H115	P48-S50 PolarHBondContact O-N 3.4Å; P48-S50 VanDerWaalsContact O-N 3.15Å; P48-H115 HydrophobicContact CB-CB 4.21Å
49	H	93.4	Very high	85.6	Confident	41 Å²	41	30.5 Å²	30.5	19%	0.19	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	20.4	-178.3	-34.9	-82.5	0	0	0	115.7	K27 K47 L51 G113 E122 T124 E162	K27-H49 HydrophobicContact CD-CB 4.49Å; K47-H49 PolarHBondContact O-N 3.33Å; H49-L51 PolarHBondContact O-N 3.21Å; H49-G113 PolarHBondContact ND1-O 2.82Å; H49-G113 VanDerWaalsContact ND1-O 3.11Å; H49-E122 IonicContact CE1-OE1 2.79Å; H49-E122 PolarHBondContact CE1-OE1 2.83Å; H49-E122 IonicContact ND1-OE1 3.76Å; H49-E122 IonicContact NE2-OE1 2.92Å; H49-T124 PolarHBondContact CE1-OG1 3.35Å; H49-T124 PolarHBondContact ND1-OG1 2.92Å; H49-E162 HydrophobicContact CB-CB 4.24Å; H49-E162 HydrophobicContact CB-CG 3.7Å
50	S	93.7	Very high	88.3	Confident	7 Å²	7	25.8 Å²	25.8	5%	0.049	13%	0.134	C	C	.	.			trans	-69.1	-20.3	176.1	55.7	0	0	0	0	113.8	A26 K47 P48 P52	A26-S50 WeakPolarHBondContact CB-O 3.01Å; K47-S50 PolarHBondContact N-OG 3.01Å; K47-S50 WeakPolarHBondContact O-CB 3.26Å; K47-S50 PolarHBondContact O-N 2.94Å; K47-S50 PolarHBondContact O-OG 3.12Å; P48-S50 PolarHBondContact O-N 3.4Å; P48-S50 VanDerWaalsContact O-N 3.15Å; S50-P52 VanDerWaalsContact C-CD 3.48Å; S50-P52 WeakPolarHBondContact O-CD 3.06Å
51	L	96	Very high	90.2	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.031	16%	0.155	C	C	.	.			trans	-116.3	75.9	-176.7	-52.1	178.8	0	0	0	110.1	L30 A46 H49 W53 Q54 S184 L199 M201 F243	L30-L51 HydrophobicContact CD2-CD2 3.67Å; A46-L51 HydrophobicContact CB-CD1 4.19Å; H49-L51 PolarHBondContact O-N 3.21Å; L51-W53 HydrophobicContact CB-CZ2 4.49Å; L51-W53 HydrophobicContact CD2-CZ2 3.79Å; L51-W53 PolarHBondContact O-N 2.72Å; L51-Q54 HydrophobicContact CB-CB 4.23Å; L51-Q54 WeakPolarHBondContact O-CB 3.04Å; L51-Q54 PolarHBondContact O-N 3.13Å; L51-S184 VanDerWaalsContact CD1-CB 3.47Å; L51-S184 WeakPolarHBondContact CD1-OG 3.25Å; L51-L199 HydrophobicContact CB-CD2 4.23Å; L51-L199 HydrophobicContact CD1-CD2 4Å; L51-L199 HydrophobicContact CD1-CG 4.5Å; L51-L199 HydrophobicContact CG-CD2 4.45Å; L51-M201 HydrophobicContact CD1-CE 3.34Å; L51-M201 HydrophobicContact CD2-CE 3.34Å; L51-M201 HydrophobicContact CG-CE 3.87Å; L51-F243 HydrophobicContact CD1-CZ 4.3Å; L51-F243 HydrophobicContact CD2-CE2 4.41Å; L51-F243 HydrophobicContact CD2-CZ 4.12Å
52	P	96.6	Very high	91.7	Very high	2 Å²	2	31 Å²	31	1%	0.013	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-8.4	-169.5	30.1	-38.5	0	0	0	114.1	S50 E162 T163 R164	S50-P52 VanDerWaalsContact C-CD 3.48Å; S50-P52 WeakPolarHBondContact O-CD 3.06Å; P52-E162 VanDerWaalsContact CA-O 3.24Å; P52-E162 WeakPolarHBondContact CA-O 3.41Å; P52-E162 VanDerWaalsContact CB-C 3.46Å; P52-E162 WeakPolarHBondContact CB-O 3.22Å; P52-T163 CarbonylContact O-C 3.52Å; P52-T163 VanDerWaalsContact O-CA 3.27Å; P52-T163 WeakPolarHBondContact O-CA 3.3Å; P52-R164 CarbonylContact C-O 3.49Å; P52-R164 HydrophobicContact CB-CB 3.98Å; P52-R164 HydrophobicContact CB-CG 4.15Å; P52-R164 HydrophobicContact CG-CB 3.88Å; P52-R164 HydrophobicContact CG-CG 4.21Å; P52-R164 PolarHBondContact O-N 3.36Å
53	W	98	Very high	92.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-13.6	173.1	46.2	79.5	0	0	0	113.6	A26 L51 V55 T74 L75 R164 I166 F243 I250	A26-W53 HydrophobicContact CB-CH2 3.89Å; A26-W53 HydrophobicContact CB-CZ3 4.4Å; L51-W53 HydrophobicContact CB-CZ2 4.49Å; L51-W53 HydrophobicContact CD2-CZ2 3.79Å; L51-W53 PolarHBondContact O-N 2.72Å; W53-V55 PolarHBondContact O-N 3.19Å; W53-T74 CarbonylContact O-C 3.58Å; W53-T74 VanDerWaalsContact O-CA 3.25Å; W53-T74 WeakPolarHBondContact O-CA 2.85Å; W53-L75 PolarHBondContact O-N 3.4Å; W53-R164 WeakPolarHBondContact CA-O 3.06Å; W53-R164 VanDerWaalsContact CB-O 3.31Å; W53-R164 WeakPolarHBondContact CB-O 3.32Å; W53-R164 PolarHBondContact N-O 2.04Å; W53-I166 HydrophobicContact CB-CB 3.81Å; W53-I166 HydrophobicContact CB-CG2 4.41Å; W53-I166 HydrophobicContact CD2-CB 3.94Å; W53-I166 HydrophobicContact CD2-CD1 4.02Å; W53-I166 HydrophobicContact CD2-CG1 4.17Å; W53-I166 HydrophobicContact CE3-CB 4.25Å; W53-I166 HydrophobicContact CE3-CG1 4.47Å; W53-I166 HydrophobicContact CG-CB 3.74Å; W53-I166 HydrophobicContact CG-CD1 4.08Å; W53-I166 HydrophobicContact CG-CG1 4.32Å; W53-I166 HydrophobicContact CZ2-CD1 4.42Å; W53-F243 HydrophobicContact CZ2-CE2 4.4Å; W53-I250 HydrophobicContact CH2-CB 3.68Å; W53-I250 HydrophobicContact CH2-CG1 3.67Å; W53-I250 HydrophobicContact CH2-CG2 3.84Å; W53-I250 HydrophobicContact CZ2-CB 4.1Å; W53-I250 HydrophobicContact CZ2-CG1 4.26Å; W53-I250 HydrophobicContact CZ2-CG2 3.7Å; W53-I250 HydrophobicContact CZ3-CB 4.31Å
54	Q	97.8	Very high	93.1	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.019	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	130.3	-172.2	-170.5	75.6	41	0	0	111	L51 S184 W186 L199	L51-Q54 HydrophobicContact CB-CB 4.23Å; L51-Q54 WeakPolarHBondContact O-CB 3.04Å; L51-Q54 PolarHBondContact O-N 3.13Å; Q54-S184 PolarHBondContact NE2-O 3Å; Q54-S184 PolarHBondContact OE1-OG 3.02Å; Q54-W186 HydrophobicContact CB-CH2 4.38Å; Q54-W186 HydrophobicContact CG-CH2 3.46Å; Q54-W186 VanDerWaalsContact CG-CH2 3.46Å; Q54-W186 HydrophobicContact CG-CZ3 3.51Å; Q54-L199 HydrophobicContact CB-CD2 4.15Å; Q54-L199 HydrophobicContact CG-CD1 3.83Å; Q54-L199 HydrophobicContact CG-CD2 4Å
55	V	98.1	Very high	93.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	143.1	175.3	-175.5	0	0	0	0	109.8	W53 L57 G72 G73 L75 V87 A110 V112	W53-V55 PolarHBondContact O-N 3.19Å; V55-L57 HydrophobicContact CG1-CD2 4.19Å; V55-G72 CarbonylContact O-C 3.52Å; V55-G72 WeakPolarHBondContact O-CA 3.48Å; V55-G73 PolarHBondContact N-O 3.09Å; V55-G73 PolarHBondContact O-N 3.1Å; V55-L75 HydrophobicContact CG2-CD2 4.02Å; V55-L75 HydrophobicContact CG2-CG 3.79Å; V55-V87 HydrophobicContact CB-CG1 3.97Å; V55-V87 HydrophobicContact CG1-CG1 3.93Å; V55-V87 HydrophobicContact CG1-CG2 4.23Å; V55-V87 HydrophobicContact CG2-CG1 3.95Å; V55-V87 HydrophobicContact CG2-CG2 4.14Å; V55-A110 HydrophobicContact CG1-CB 3.82Å; V55-V112 HydrophobicContact CB-CG1 4.49Å; V55-V112 HydrophobicContact CG1-CG1 4.08Å; V55-V112 HydrophobicContact CG2-CG1 3.93Å
56	R	97.3	Very high	92.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.5	166.1	176.8	54.5	147.8	-167.2	-8.7	109.3	V58 K70 C71 L111 I114 E117 W186 G236	R56-V58 HydrophobicContact CG-CG2 4.45Å; R56-K70 VanDerWaalsContact NH2-CD 3.28Å; R56-C71 VanDerWaalsContact CD-O 3.24Å; R56-C71 WeakPolarHBondContact CD-O 3.18Å; R56-L111 HydrophobicContact CB-CB 4.11Å; R56-L111 PolarHBondContact N-O 2.66Å; R56-L111 PolarHBondContact O-N 2.78Å; R56-I114 HydrophobicContact CB-CD1 3.84Å; R56-I114 HydrophobicContact CG-CD1 4.46Å; R56-E117 WeakPolarHBondContact CG-OE1 3.21Å; R56-E117 IonicContact CZ-OE1 3.5Å; R56-E117 IonicContact CZ-OE2 3.72Å; R56-E117 IonicContact NE-OE1 3.78Å; R56-E117 PolarHBondContact NE-OE1 2.98Å; R56-E117 IonicContact NE-OE2 3.19Å; R56-E117 IonicContact NH2-OE1 3.83Å; R56-E117 IonicContact NH2-OE2 2.73Å; R56-E117 PolarHBondContact NH2-OE2 2.65Å; R56-W186 HydrophobicContact CB-CE3 4.03Å; R56-W186 HydrophobicContact CB-CH2 4.22Å; R56-W186 HydrophobicContact CB-CZ3 3.69Å; R56-W186 HydrophobicContact CG-CE3 4.43Å; R56-G236 PolarHBondContact NH1-O 2.64Å
57	L	97.4	Very high	92.9	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	128.5	172.1	-63.6	176.5	0	0	0	109.5	V55 I59 K70 C71 V87 T89 F94 V108 Y109 A110 V151	V55-L57 HydrophobicContact CG1-CD2 4.19Å; L57-I59 HydrophobicContact CB-CD1 4.28Å; L57-I59 HydrophobicContact CB-CG1 4.3Å; L57-K70 VanDerWaalsContact O-CA 3.26Å; L57-K70 WeakPolarHBondContact O-CA 3.17Å; L57-C71 HydrophobicContact CB-CB 4.19Å; L57-C71 HydrophobicContact CD1-CB 4.39Å; L57-C71 PolarHBondContact N-O 2.54Å; L57-C71 PolarHBondContact O-N 3.41Å; L57-C71 VanDerWaalsContact O-N 3.07Å; L57-V87 HydrophobicContact CD2-CG1 4.48Å; L57-T89 HydrophobicContact CD1-CG2 3.73Å; L57-F94 HydrophobicContact CD1-CZ 4.13Å; L57-V108 HydrophobicContact CD2-CG1 4.37Å; L57-Y109 CarbonylContact C-O 3.56Å; L57-Y109 WeakPolarHBondContact CA-O 3.28Å; L57-A110 HydrophobicContact CD2-CB 3.96Å; L57-V151 HydrophobicContact CD1-CG2 4.44Å
58	V	95.8	Very high	92.8	Very high	20 Å²	20	45 Å²	45	12%	0.121	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118.7	171.9	178.4	0	0	0	0	107.2	R56 Y60 V68 Y109 L111	R56-V58 HydrophobicContact CG-CG2 4.45Å; V58-Y60 HydrophobicContact CG1-CE2 4.34Å; V58-V68 HydrophobicContact CG1-CB 4.02Å; V58-V68 HydrophobicContact CG1-CG1 3.94Å; V58-V68 HydrophobicContact CG1-CG2 4.15Å; V58-Y109 PolarHBondContact N-O 2.99Å; V58-Y109 PolarHBondContact O-N 3.25Å; V58-L111 HydrophobicContact CB-CD1 4.49Å; V58-L111 HydrophobicContact CG2-CD1 3.84Å
59	I	95.4	Very high	92.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	115.5	-169.4	-52.3	170.9	0	0	0	109.1	L57 V68 Y69 C93 F94 T103 V108	L57-I59 HydrophobicContact CB-CD1 4.28Å; L57-I59 HydrophobicContact CB-CG1 4.3Å; I59-V68 CarbonylContact O-C 3.54Å; I59-V68 WeakPolarHBondContact O-CA 3.42Å; I59-V68 WeakPolarHBondContact O-CB 3.44Å; I59-Y69 HydrophobicContact CB-CD1 4.18Å; I59-Y69 HydrophobicContact CB-CD2 4.27Å; I59-Y69 HydrophobicContact CB-CE1 3.76Å; I59-Y69 HydrophobicContact CB-CE2 3.85Å; I59-Y69 HydrophobicContact CB-CG 4.43Å; I59-Y69 HydrophobicContact CD1-CD2 4.26Å; I59-Y69 HydrophobicContact CD1-CE2 3.5Å; I59-Y69 HydrophobicContact CG1-CE2 4.22Å; I59-Y69 HydrophobicContact CG2-CD1 4.34Å; I59-Y69 HydrophobicContact CG2-CE1 3.48Å; I59-Y69 VanDerWaalsContact CG2-CE1 3.48Å; I59-Y69 HydrophobicContact CG2-CE2 4.1Å; I59-Y69 WeakPolarHBondContact CG2-OH 3.42Å; I59-Y69 PolarHBondContact N-O 3.01Å; I59-Y69 WeakPolarHBondContact O-CD1 3.4Å; I59-Y69 PolarHBondContact O-N 2.69Å; I59-C93 HydrophobicContact CD1-CB 4.31Å; I59-C93 WeakPolarHBondContact CD1-O 3.44Å; I59-F94 HydrophobicContact CD1-CD1 4.02Å; I59-F94 HydrophobicContact CD1-CE1 3.68Å; I59-F94 HydrophobicContact CG1-CE1 4.44Å; I59-T103 HydrophobicContact CG2-CG2 3.35Å; I59-V108 HydrophobicContact CG1-CG1 4.38Å; I59-V108 HydrophobicContact CG1-CG2 4.37Å; I59-V108 HydrophobicContact CG2-CG2 4.08Å
60	Y	94	Very high	92.5	Very high	81 Å²	81	46.6 Å²	46.6	32%	0.318	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	130.1	179.4	-71.5	-100.1	0	0	0	110.2	V58 V68 R107 Y109	V58-Y60 HydrophobicContact CG1-CE2 4.34Å; Y60-V68 HydrophobicContact CD1-CG1 3.61Å; Y60-V68 HydrophobicContact CD2-CG1 4.09Å; Y60-V68 HydrophobicContact CE1-CG1 3.7Å; Y60-V68 HydrophobicContact CE2-CG1 4.16Å; Y60-V68 HydrophobicContact CG-CG1 3.82Å; Y60-R107 PolarHBondContact N-O 2.76Å; Y60-R107 WeakPolarHBondContact O-CD 3.46Å; Y60-Y109 HydrophobicContact CD2-CD2 4.03Å; Y60-Y109 HydrophobicContact CD2-CE2 4.09Å; Y60-Y109 AromaticContact CE2-CD2 3.75Å; Y60-Y109 HydrophobicContact CE2-CD2 3.75Å; Y60-Y109 AromaticContact CE2-CE2 3.83Å; Y60-Y109 HydrophobicContact CE2-CE2 3.83Å
61	M	89.3	Confident	92.6	Very high	100 Å²	100	46.5 Å²	46.5	49%	0.493	23%	0.234	S	C	.	.	S	Bend	trans	-68.9	-40.2	-178.4	-66.2	-178.4	73.8	0	0	111.2	A67 Y69 R107	M61-A67 HydrophobicContact CB-CB 4.36Å; M61-A67 HydrophobicContact CG-CB 4.32Å; M61-A67 PolarHBondContact N-O 3.03Å; M61-A67 HydrophobicContact SD-CB 3.84Å; M61-Y69 HydrophobicContact CG-CD1 3.85Å; M61-Y69 HydrophobicContact CG-CE1 4.47Å; M61-R107 PolarHBondContact O-NH1 3.13Å
62	D	88.2	Confident	92.6	Very high	57 Å²	57	46.3 Å²	46.3	31%	0.305	23%	0.233	S	C	.	.	S	Bend	trans	-142.6	168.8	177.2	70.8	75.8	0	0	0	111.2	K64 S65	D62-K64 VanDerWaalsContact C-N 3.26Å; D62-K64 PolarHBondContact O-N 3.06Å; D62-K64 WeakPolarHBondContact OD1-CA 3.44Å; D62-K64 WeakPolarHBondContact OD1-CB 3.43Å; D62-K64 PolarHBondContact OD1-N 3.34Å; D62-S65 VanDerWaalsContact CG-OG 3.27Å; D62-S65 WeakPolarHBondContact OD1-CB 3.22Å; D62-S65 PolarHBondContact OD1-N 3.12Å; D62-S65 PolarHBondContact OD1-OG 3.23Å; D62-S65 WeakPolarHBondContact OD2-CB 3.34Å; D62-S65 PolarHBondContact OD2-OG 2.64Å
63	D	85.7	Confident	92.6	Very high	95 Å²	95	46.2 Å²	46.2	51%	0.508	23%	0.233	S	C	.	.	S	Bend	trans	-79.5	-3.9	-175.7	-61.4	-51.2	0	0	0	113.3	R106 R107	D63-R106 IonicContact OD1-CZ 3.67Å; D63-R106 IonicContact OD1-NE 3.59Å; D63-R106 PolarHBondContact OD1-NE 3.15Å; D63-R106 VanDerWaalsContact OD1-NE 3.1Å; D63-R106 IonicContact OD1-NH2 2.85Å; D63-R106 IonicContact OD2-CZ 3.62Å; D63-R106 IonicContact OD2-NE 3.79Å; D63-R106 IonicContact OD2-NH2 3.6Å; D63-R106 PolarHBondContact OD2-NH2 2.94Å; D63-R107 VanDerWaalsContact CG-NE 3.33Å; D63-R107 VanDerWaalsContact CG-NH2 3.32Å; D63-R107 IonicContact OD1-CZ 3.68Å; D63-R107 IonicContact OD1-NE 3.62Å; D63-R107 PolarHBondContact OD1-NE 2.81Å; D63-R107 IonicContact OD1-NH2 2.78Å; D63-R107 IonicContact OD2-CZ 3.71Å; D63-R107 IonicContact OD2-NE 3.21Å; D63-R107 IonicContact OD2-NH2 2.69Å; D63-R107 PolarHBondContact OD2-NH2 3.26Å
64	K	86.4	Confident	92.7	Very high	204 Å²	204	46.2 Å²	46.2	89%	0.887	23%	0.233	S	C	*	.	S	Bend	trans	-118.3	-28.2	-169.8	-61.7	-179.6	-178.6	176.2	0	113.5	D62	D62-K64 VanDerWaalsContact C-N 3.26Å; D62-K64 PolarHBondContact O-N 3.06Å; D62-K64 WeakPolarHBondContact OD1-CA 3.44Å; D62-K64 WeakPolarHBondContact OD1-CB 3.43Å; D62-K64 PolarHBondContact OD1-N 3.34Å
65	S	85.4	Confident	92.7	Very high	39 Å²	39	46 Å²	46	27%	0.273	23%	0.232	S	C	.	.	S	Bend	trans	-99.6	155.6	-179.1	85.7	0	0	0	0	111	D62 A67	D62-S65 VanDerWaalsContact CG-OG 3.27Å; D62-S65 WeakPolarHBondContact OD1-CB 3.22Å; D62-S65 PolarHBondContact OD1-N 3.12Å; D62-S65 PolarHBondContact OD1-OG 3.23Å; D62-S65 WeakPolarHBondContact OD2-CB 3.34Å; D62-S65 PolarHBondContact OD2-OG 2.64Å; S65-A67 PolarHBondContact O-N 3.01Å; S65-A67 VanDerWaalsContact OG-CB 3.27Å; S65-A67 WeakPolarHBondContact OG-CB 3.44Å; S65-A67 PolarHBondContact OG-N 3.2Å
66	N	86.2	Confident	92.7	Very high	150 Å²	150	46 Å²	46	80%	0.802	23%	0.232	S	C	*	.			trans	-85.5	14.8	169.8	-67.5	-42	0	0	0	111.8	V68	N66-V68 PolarHBondContact O-N 2.87Å
67	A	90.2	Very high	92.5	Very high	31 Å²	31	48 Å²	48	26%	0.256	24%	0.241	S	C	.	.			trans	-73	122.5	177.7	0	0	0	0	0	108.9	M61 S65	M61-A67 HydrophobicContact CB-CB 4.36Å; M61-A67 HydrophobicContact CG-CB 4.32Å; M61-A67 PolarHBondContact N-O 3.03Å; M61-A67 HydrophobicContact SD-CB 3.84Å; S65-A67 PolarHBondContact O-N 3.01Å; S65-A67 VanDerWaalsContact OG-CB 3.27Å; S65-A67 WeakPolarHBondContact OG-CB 3.44Å; S65-A67 PolarHBondContact OG-N 3.2Å
68	V	90.5	Very high	92.3	Very high	50 Å²	50	50.3 Å²	50.3	30%	0.303	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.7	178.2	-56	0	0	0	0	109.3	V58 I59 Y60 N66 K70	V58-V68 HydrophobicContact CG1-CB 4.02Å; V58-V68 HydrophobicContact CG1-CG1 3.94Å; V58-V68 HydrophobicContact CG1-CG2 4.15Å; I59-V68 CarbonylContact O-C 3.54Å; I59-V68 WeakPolarHBondContact O-CA 3.42Å; I59-V68 WeakPolarHBondContact O-CB 3.44Å; Y60-V68 HydrophobicContact CD1-CG1 3.61Å; Y60-V68 HydrophobicContact CD2-CG1 4.09Å; Y60-V68 HydrophobicContact CE1-CG1 3.7Å; Y60-V68 HydrophobicContact CE2-CG1 4.16Å; Y60-V68 HydrophobicContact CG-CG1 3.82Å; N66-V68 PolarHBondContact O-N 2.87Å; V68-K70 HydrophobicContact CG2-CG 4.47Å
69	Y	88.7	Confident	91.9	Very high	62 Å²	62	52 Å²	52	24%	0.243	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	163.6	158.8	67.8	-84.5	0	0	0	108.7	I59 M61 C93 T103	I59-Y69 HydrophobicContact CB-CD1 4.18Å; I59-Y69 HydrophobicContact CB-CD2 4.27Å; I59-Y69 HydrophobicContact CB-CE1 3.76Å; I59-Y69 HydrophobicContact CB-CE2 3.85Å; I59-Y69 HydrophobicContact CB-CG 4.43Å; I59-Y69 HydrophobicContact CD1-CD2 4.26Å; I59-Y69 HydrophobicContact CD1-CE2 3.5Å; I59-Y69 HydrophobicContact CG1-CE2 4.22Å; I59-Y69 HydrophobicContact CG2-CD1 4.34Å; I59-Y69 HydrophobicContact CG2-CE1 3.48Å; I59-Y69 VanDerWaalsContact CG2-CE1 3.48Å; I59-Y69 HydrophobicContact CG2-CE2 4.1Å; I59-Y69 WeakPolarHBondContact CG2-OH 3.42Å; I59-Y69 PolarHBondContact N-O 3.01Å; I59-Y69 WeakPolarHBondContact O-CD1 3.4Å; I59-Y69 PolarHBondContact O-N 2.69Å; M61-Y69 HydrophobicContact CG-CD1 3.85Å; M61-Y69 HydrophobicContact CG-CE1 4.47Å; Y69-C93 WeakPolarHBondContact CE2-O 3.34Å; Y69-C93 PolarHBondContact OH-O 2.91Å; Y69-T103 PolarHBondContact OH-OG1 3.22Å
70	K	92.7	Very high	91.6	Very high	71 Å²	71	57 Å²	57	31%	0.309	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	137	-168.8	-54.1	178.2	174.6	-168.7	0	111.2	R56 L57 V68 E117	R56-K70 VanDerWaalsContact NH2-CD 3.28Å; L57-K70 VanDerWaalsContact O-CA 3.26Å; L57-K70 WeakPolarHBondContact O-CA 3.17Å; V68-K70 HydrophobicContact CG2-CG 4.47Å; K70-E117 VanDerWaalsContact CD-OE1 3.26Å; K70-E117 WeakPolarHBondContact CD-OE1 3.27Å; K70-E117 WeakPolarHBondContact CE-OE1 3.13Å; K70-E117 IonicContact NZ-OE1 2.82Å; K70-E117 PolarHBondContact NZ-OE1 3.15Å; K70-E117 IonicContact NZ-OE2 3.64Å; K70-E117 PolarHBondContact NZ-OE2 2.81Å
71	C	94.8	Very high	91.4	Very high	4 Å²	4	55.1 Å²	55.1	3%	0.027	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	164.9	175	-84.7	0	0	0	0	110.6	R56 L57 C93 S238	R56-C71 VanDerWaalsContact CD-O 3.24Å; R56-C71 WeakPolarHBondContact CD-O 3.18Å; L57-C71 HydrophobicContact CB-CB 4.19Å; L57-C71 HydrophobicContact CD1-CB 4.39Å; L57-C71 PolarHBondContact N-O 2.54Å; L57-C71 PolarHBondContact O-N 3.41Å; L57-C71 VanDerWaalsContact O-N 3.07Å; C71-C93 HydrophobicContact CB-CB 3.83Å; C71-C93 WeakPolarHBondContact CB-SG 3.46Å; C71-C93 WeakPolarHBondContact SG-CB 3.38Å; C71-C93 CovalentContact SG-SG 2.04Å; C71-C93 PolarHBondContact SG-SG 3.11Å; C71-S238 CarbonylContact C-O 3.43Å; C71-S238 WeakPolarHBondContact CA-O 3.44Å; C71-S238 VanDerWaalsContact CB-O 3.24Å; C71-S238 WeakPolarHBondContact CB-O 3.09Å
72	G	95.8	Very high	91.6	Very high	2 Å²	2	55.6 Å²	55.6	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	171.9	161.1	0	0	0	0	0	111.8	V55 T89 S238 G239	V55-G72 CarbonylContact O-C 3.52Å; V55-G72 WeakPolarHBondContact O-CA 3.48Å; G72-T89 PolarHBondContact O-OG1 3.3Å; G72-S238 PolarHBondContact N-O 3.22Å; G72-G239 CarbonylContact O-C 3.38Å
73	G	97.9	Very high	91.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	178.8	168	0	0	0	0	0	109.8	V55 L88 G239	V55-G73 PolarHBondContact N-O 3.09Å; V55-G73 PolarHBondContact O-N 3.1Å; G73-L88 CarbonylContact C-O 3.54Å; G73-L88 WeakPolarHBondContact CA-O 3.44Å; G73-G239 WeakPolarHBondContact CA-O 3.36Å
74	T	98.5	Very high	92.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	138.5	177	46	0	0	0	0	113.5	W53 I76 V87 L88 I166 P241 Q252	W53-T74 CarbonylContact O-C 3.58Å; W53-T74 VanDerWaalsContact O-CA 3.25Å; W53-T74 WeakPolarHBondContact O-CA 2.85Å; T74-I76 PolarHBondContact O-N 2.9Å; T74-V87 CarbonylContact O-C 3.44Å; T74-V87 VanDerWaalsContact O-CA 3.26Å; T74-V87 WeakPolarHBondContact O-CA 3.34Å; T74-L88 PolarHBondContact N-O 2.91Å; T74-L88 PolarHBondContact O-N 2.84Å; T74-I166 HydrophobicContact CG2-CG2 4.47Å; T74-P241 HydrophobicContact CG2-CB 3.41Å; T74-P241 VanDerWaalsContact CG2-CB 3.41Å; T74-P241 HydrophobicContact CG2-CG 3.4Å; T74-Q252 PolarHBondContact OG1-OE1 2.98Å
75	L	98.4	Very high	92.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	126.1	165.4	-65	174.9	0	0	0	109	W53 V55 T84 V87 V112 V157 T163 P165 I166	W53-L75 PolarHBondContact O-N 3.4Å; V55-L75 HydrophobicContact CG2-CD2 4.02Å; V55-L75 HydrophobicContact CG2-CG 3.79Å; L75-T84 HydrophobicContact CB-CG2 4.14Å; L75-T84 HydrophobicContact CD2-CG2 3.96Å; L75-V87 HydrophobicContact CD2-CG2 4.18Å; L75-V112 HydrophobicContact CD2-CG1 4.21Å; L75-V157 HydrophobicContact CD1-CG1 4.09Å; L75-V157 HydrophobicContact CD2-CB 4.48Å; L75-V157 HydrophobicContact CD2-CG2 4.25Å; L75-T163 HydrophobicContact CD1-CG2 4.47Å; L75-P165 VanDerWaalsContact O-CA 3.29Å; L75-P165 WeakPolarHBondContact O-CA 3.2Å; L75-I166 PolarHBondContact O-N 2.95Å
76	I	97.7	Very high	93.5	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.22	C	C	.	.			trans	-124.3	159.4	176.7	61.1	160	0	0	0	110.1	T74 M78 T84 L86 L88 L150 I166 L168 L281	T74-I76 PolarHBondContact O-N 2.9Å; I76-M78 HydrophobicContact CD1-CG 4.12Å; I76-M78 HydrophobicContact CD1-SD 4.22Å; I76-T84 VanDerWaalsContact O-CB 3.28Å; I76-T84 WeakPolarHBondContact O-CB 3.33Å; I76-T84 WeakPolarHBondContact O-CG2 3.48Å; I76-T84 PolarHBondContact O-OG1 3.14Å; I76-L86 HydrophobicContact CD1-CB 4.32Å; I76-L86 HydrophobicContact CG1-CB 3.8Å; I76-L86 PolarHBondContact N-O 2.78Å; I76-L88 HydrophobicContact CD1-CB 4.15Å; I76-L88 HydrophobicContact CG1-CB 4.32Å; I76-L88 HydrophobicContact CG2-CB 3.7Å; I76-L88 HydrophobicContact CG2-CD2 4.11Å; I76-L150 HydrophobicContact CD1-CD2 3.65Å; I76-I166 HydrophobicContact CG2-CG2 4.23Å; I76-L168 HydrophobicContact CB-CD2 4.45Å; I76-L168 HydrophobicContact CG2-CD2 3.89Å; I76-L281 HydrophobicContact CD1-CD2 4.48Å
77	Q	94	Very high	94.1	Very high	41 Å²	41	30.9 Å²	30.9	19%	0.192	18%	0.182	C	C	.	.			trans	-124.2	121.5	176.6	-176.8	165.8	44.6	0	0	110.6	V79 G81 Y159 P165	Q77-V79 WeakPolarHBondContact CG-O 3.43Å; Q77-V79 PolarHBondContact NE2-O 2.89Å; Q77-V79 VanDerWaalsContact NE2-O 3.09Å; Q77-G81 VanDerWaalsContact NE2-N 3.14Å; Q77-G81 PolarHBondContact NE2-O 2.98Å; Q77-Y159 WeakPolarHBondContact CB-OH 3.29Å; Q77-Y159 WeakPolarHBondContact CG-OH 3.27Å; Q77-Y159 PolarHBondContact NE2-OH 3.1Å; Q77-P165 HydrophobicContact CB-CB 3.73Å; Q77-P165 HydrophobicContact CB-CG 3.84Å
78	M	92.3	Very high	94.5	Very high	50 Å²	50	29.4 Å²	29.4	25%	0.246	17%	0.169	C	C	.	.	S	Bend	trans	-109.6	-19.2	179	-61.1	-65.2	-56.7	0	0	112.4	I76 L86 L168 L281 E282 V285	I76-M78 HydrophobicContact CD1-CG 4.12Å; I76-M78 HydrophobicContact CD1-SD 4.22Å; M78-L86 HydrophobicContact CB-CD1 3.88Å; M78-L86 HydrophobicContact CG-CD1 3.56Å; M78-L168 HydrophobicContact SD-CD1 3.56Å; M78-L168 VanDerWaalsContact SD-CD1 3.56Å; M78-L281 HydrophobicContact CE-CB 4.03Å; M78-L281 HydrophobicContact SD-CB 4.46Å; M78-E282 HydrophobicContact CE-CG 4.02Å; M78-V285 HydrophobicContact CB-CG1 4.16Å; M78-V285 HydrophobicContact CB-CG2 4.21Å; M78-V285 HydrophobicContact CE-CG2 4.18Å; M78-V285 HydrophobicContact CG-CG2 3.7Å; M78-V285 HydrophobicContact SD-CG2 4.49Å
79	V	87.9	Confident	94.8	Very high	54 Å²	54	27 Å²	27	33%	0.327	16%	0.155	S	C	.	.	S	Bend	trans	-131.6	135	175.6	179.4	0	0	0	0	108.5	Q77 Y291 I296	Q77-V79 WeakPolarHBondContact CG-O 3.43Å; Q77-V79 PolarHBondContact NE2-O 2.89Å; Q77-V79 VanDerWaalsContact NE2-O 3.09Å; V79-Y291 HydrophobicContact CB-CE1 4.21Å; V79-Y291 HydrophobicContact CG2-CD1 3.68Å; V79-Y291 HydrophobicContact CG2-CE1 3.64Å; V79-I296 HydrophobicContact CG2-CD1 4.14Å
80	P	88.4	Confident	95.1	Very high	106 Å²	106	24.1 Å²	24.1	69%	0.688	14%	0.143	S	C	*	.			trans	-55.4	140.1	175.5	-25.9	34.9	0	0	0	112.3
81	G	89.8	Confident	95.2	Very high	42 Å²	42	20.7 Å²	20.7	43%	0.433	13%	0.129	S	C	.	.	S	Bend	trans	173	179.8	-176.4	0	0	0	0	0	112	Q77 Y159	Q77-G81 VanDerWaalsContact NE2-N 3.14Å; Q77-G81 PolarHBondContact NE2-O 2.98Å; G81-Y159 VanDerWaalsContact O-CE2 3.3Å; G81-Y159 WeakPolarHBondContact O-CE2 3.19Å
82	N	93.7	Very high	95	Very high	109 Å²	109	21.3 Å²	21.3	58%	0.583	13%	0.131	S	C	*	.	S	Bend	trans	-98.9	16.7	177.8	64.7	-10.2	0	0	0	113	Y159	N82-Y159 PolarHBondContact O-N 3.16Å
83	G	95.2	Very high	94.9	Very high	8 Å²	8	21.3 Å²	21.3	8%	0.082	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.1	173.6	178	0	0	0	0	0	111.6	V157 Y159	G83-V157 CarbonylContact C-O 3.49Å; G83-V157 WeakPolarHBondContact CA-O 3.47Å; G83-Y159 PolarHBondContact O-OH 3.28Å
84	T	96.2	Very high	94.6	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.012	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	149.6	174	-171.3	0	0	0	0	111.1	L75 I76 L86 V157 Y159	L75-T84 HydrophobicContact CB-CG2 4.14Å; L75-T84 HydrophobicContact CD2-CG2 3.96Å; I76-T84 VanDerWaalsContact O-CB 3.28Å; I76-T84 WeakPolarHBondContact O-CB 3.33Å; I76-T84 WeakPolarHBondContact O-CG2 3.48Å; I76-T84 PolarHBondContact O-OG1 3.14Å; T84-L86 PolarHBondContact OG1-N 3.39Å; T84-L86 VanDerWaalsContact OG1-N 3.1Å; T84-V157 PolarHBondContact N-O 3.21Å; T84-V157 WeakPolarHBondContact O-CB 3.3Å; T84-V157 PolarHBondContact O-N 2.95Å; T84-Y159 WeakPolarHBondContact CB-OH 3.47Å; T84-Y159 HydrophobicContact CG2-CE1 3.9Å
85	D	96.9	Very high	94.2	Very high	17 Å²	17	22.7 Å²	22.7	9%	0.091	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	12.1	168.8	66.8	-17.2	0	0	0	111.3	Q152 L153 Y291	D85-Q152 CarbonylContact O-C 3.54Å; D85-Q152 WeakPolarHBondContact O-CA 3.35Å; D85-Q152 WeakPolarHBondContact OD2-CG 3.5Å; D85-Q152 PolarHBondContact OD2-NE2 3.13Å; D85-L153 HydrophobicContact CB-CB 4.34Å; D85-L153 PolarHBondContact O-N 3.49Å; D85-Y291 VanDerWaalsContact OD1-CE2 3.27Å; D85-Y291 WeakPolarHBondContact OD1-CE2 3.03Å; D85-Y291 VanDerWaalsContact OD1-CZ 3.3Å; D85-Y291 PolarHBondContact OD1-OH 3.05Å
86	L	97.8	Very high	93.7	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.7	-174.4	-64	175.3	0	0	0	112.4	I76 M78 T84 V285 F288 Y291	I76-L86 HydrophobicContact CD1-CB 4.32Å; I76-L86 HydrophobicContact CG1-CB 3.8Å; I76-L86 PolarHBondContact N-O 2.78Å; M78-L86 HydrophobicContact CB-CD1 3.88Å; M78-L86 HydrophobicContact CG-CD1 3.56Å; T84-L86 PolarHBondContact OG1-N 3.39Å; T84-L86 VanDerWaalsContact OG1-N 3.1Å; L86-V285 HydrophobicContact CD1-CG1 4.06Å; L86-V285 HydrophobicContact CD1-CG2 4Å; L86-F288 HydrophobicContact CD2-CD2 3.89Å; L86-F288 HydrophobicContact CD2-CE2 3.75Å; L86-Y291 HydrophobicContact CD1-CE1 4.2Å; L86-Y291 HydrophobicContact CD1-CE2 4.25Å; L86-Y291 HydrophobicContact CD2-CE2 4.1Å; L86-Y291 HydrophobicContact CG-CE2 4.2Å
87	V	98.4	Very high	92.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.7	168.7	-176.9	0	0	0	0	109.5	V55 L57 T74 L75 L150 V151 L153	V55-V87 HydrophobicContact CB-CG1 3.97Å; V55-V87 HydrophobicContact CG1-CG1 3.93Å; V55-V87 HydrophobicContact CG1-CG2 4.23Å; V55-V87 HydrophobicContact CG2-CG1 3.95Å; V55-V87 HydrophobicContact CG2-CG2 4.14Å; L57-V87 HydrophobicContact CD2-CG1 4.48Å; T74-V87 CarbonylContact O-C 3.44Å; T74-V87 VanDerWaalsContact O-CA 3.26Å; T74-V87 WeakPolarHBondContact O-CA 3.34Å; L75-V87 HydrophobicContact CD2-CG2 4.18Å; V87-L150 WeakPolarHBondContact O-CA 3.42Å; V87-V151 HydrophobicContact CB-CB 4.16Å; V87-V151 PolarHBondContact N-O 3.32Å; V87-V151 PolarHBondContact O-N 2.91Å; V87-L153 HydrophobicContact CG2-CD1 3.92Å; V87-L153 HydrophobicContact CG2-CD2 4.2Å; V87-L153 HydrophobicContact CG2-CG 4.15Å
88	L	98.4	Very high	92.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	137	170.2	179.9	65.1	0	0	0	110	G73 T74 I76 I148 L150 L168 I255 L274 L281	G73-L88 CarbonylContact C-O 3.54Å; G73-L88 WeakPolarHBondContact CA-O 3.44Å; T74-L88 PolarHBondContact N-O 2.91Å; T74-L88 PolarHBondContact O-N 2.84Å; I76-L88 HydrophobicContact CD1-CB 4.15Å; I76-L88 HydrophobicContact CG1-CB 4.32Å; I76-L88 HydrophobicContact CG2-CB 3.7Å; I76-L88 HydrophobicContact CG2-CD2 4.11Å; L88-I148 HydrophobicContact CD1-CD1 3.92Å; L88-I148 HydrophobicContact CD1-CG1 3.77Å; L88-L150 HydrophobicContact CD1-CD2 4.06Å; L88-L168 HydrophobicContact CD2-CD2 4.34Å; L88-I255 HydrophobicContact CD1-CD1 3.91Å; L88-I255 HydrophobicContact CD2-CD1 4.08Å; L88-I255 HydrophobicContact CD2-CG1 4.37Å; L88-I255 HydrophobicContact CG-CD1 3.91Å; L88-I255 HydrophobicContact CG-CG1 4.47Å; L88-L274 HydrophobicContact CD2-CD1 3.84Å; L88-L274 HydrophobicContact CD2-CD2 3.64Å; L88-L274 HydrophobicContact CD2-CG 4.42Å; L88-L281 HydrophobicContact CD1-CD2 3.83Å
89	T	97.7	Very high	92.1	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	-170	178.8	-169	0	0	0	0	110.8	L57 G72 F94 I148 A149 V151 G239	L57-T89 HydrophobicContact CD1-CG2 3.73Å; G72-T89 PolarHBondContact O-OG1 3.3Å; T89-F94 HydrophobicContact CG2-CE2 3.56Å; T89-F94 HydrophobicContact CG2-CZ 3.83Å; T89-I148 WeakPolarHBondContact O-CA 3.2Å; T89-A149 HydrophobicContact CG2-CB 3.9Å; T89-A149 PolarHBondContact N-O 3.46Å; T89-A149 PolarHBondContact O-N 2.96Å; T89-V151 HydrophobicContact CG2-CG2 4.15Å; T89-G239 WeakPolarHBondContact OG1-CA 3.36Å
90	A	94.8	Very high	92	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.206	C	C	.	.			trans	-91.4	151.1	177.3	0	0	0	0	0	111.9	H92 C93 D147 I255	A90-H92 WeakPolarHBondContact CB-ND1 3.35Å; A90-C93 WeakPolarHBondContact O-CB 3.5Å; A90-C93 PolarHBondContact O-N 3.44Å; A90-D147 WeakPolarHBondContact CB-OD1 3.46Å; A90-I255 HydrophobicContact CB-CG2 4.02Å
91	A	94.4	Very high	92	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-72.9	-34.9	177.9	0	0	0	0	0	111.9	C93 F94 F135 F139 D147	A91-C93 PolarHBondContact O-N 2.92Å; A91-C93 VanDerWaalsContact O-N 3.1Å; A91-F94 PolarHBondContact O-N 2.85Å; A91-F135 HydrophobicContact CB-CB 4.17Å; A91-F139 HydrophobicContact CB-CB 4.27Å; A91-F139 HydrophobicContact CB-CD1 4.06Å; A91-F139 HydrophobicContact CB-CD2 4.3Å; A91-F139 HydrophobicContact CB-CG 3.92Å; A91-D147 PolarHBondContact N-OD1 2.72Å
92	H	90.8	Very high	92	Very high	17 Å²	17	35 Å²	35	8%	0.079	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-61.4	-20.6	177.9	77.3	-102.5	0	0	0	112.8	A90 F94 F95 F139 D147 S238 S257	A90-H92 WeakPolarHBondContact CB-ND1 3.35Å; H92-F94 PolarHBondContact O-N 2.99Å; H92-F94 VanDerWaalsContact O-N 3.13Å; H92-F95 PolarHBondContact O-N 2.97Å; H92-F139 HydrophobicContact CB-CE1 3.74Å; H92-F139 HydrophobicContact CB-CZ 3.73Å; H92-D147 IonicContact CE1-OD2 2.85Å; H92-D147 PolarHBondContact CE1-OD2 3.39Å; H92-D147 IonicContact CG-OD1 3.41Å; H92-D147 IonicContact CG-OD2 2.95Å; H92-D147 PolarHBondContact N-OD1 2.77Å; H92-D147 VanDerWaalsContact ND1-CG 3.34Å; H92-D147 IonicContact ND1-OD1 3.89Å; H92-D147 PolarHBondContact ND1-OD1 3.41Å; H92-D147 IonicContact ND1-OD2 3.65Å; H92-D147 PolarHBondContact ND1-OD2 2.77Å; H92-S238 WeakPolarHBondContact NE2-CB 3.37Å; H92-S238 PolarHBondContact NE2-OG 2.89Å; H92-S257 PolarHBondContact CE1-O 3.42Å
93	C	92.9	Very high	92	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-64.5	-9.5	171.5	-67.9	0	0	0	0	113.4	I59 Y69 C71 A90 A91	I59-C93 HydrophobicContact CD1-CB 4.31Å; I59-C93 WeakPolarHBondContact CD1-O 3.44Å; Y69-C93 WeakPolarHBondContact CE2-O 3.34Å; Y69-C93 PolarHBondContact OH-O 2.91Å; C71-C93 HydrophobicContact CB-CB 3.83Å; C71-C93 WeakPolarHBondContact CB-SG 3.46Å; C71-C93 WeakPolarHBondContact SG-CB 3.38Å; C71-C93 CovalentContact SG-SG 2.04Å; C71-C93 PolarHBondContact SG-SG 3.11Å; A90-C93 WeakPolarHBondContact O-CB 3.5Å; A90-C93 PolarHBondContact O-N 3.44Å; A91-C93 PolarHBondContact O-N 2.92Å; A91-C93 VanDerWaalsContact O-N 3.1Å
94	F	93.4	Very high	92	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-122.1	8.6	178.3	-54.2	-65	0	0	0	113	L57 I59 T89 A91 H92 W102 T103 V108 L133 F135 A149 V151	L57-F94 HydrophobicContact CD1-CZ 4.13Å; I59-F94 HydrophobicContact CD1-CD1 4.02Å; I59-F94 HydrophobicContact CD1-CE1 3.68Å; I59-F94 HydrophobicContact CG1-CE1 4.44Å; T89-F94 HydrophobicContact CG2-CE2 3.56Å; T89-F94 HydrophobicContact CG2-CZ 3.83Å; A91-F94 PolarHBondContact O-N 2.85Å; H92-F94 PolarHBondContact O-N 2.99Å; H92-F94 VanDerWaalsContact O-N 3.13Å; F94-W102 HydrophobicContact CB-CE3 4.13Å; F94-W102 HydrophobicContact CB-CZ3 4.42Å; F94-W102 CarbonylContact O-C 3.58Å; F94-W102 VanDerWaalsContact O-CA 3.26Å; F94-W102 WeakPolarHBondContact O-CA 3.48Å; F94-W102 VanDerWaalsContact O-CE3 3.28Å; F94-T103 PolarHBondContact O-N 3Å; F94-V108 HydrophobicContact CD1-CG2 4.08Å; F94-V108 HydrophobicContact CE1-CG1 3.99Å; F94-V108 HydrophobicContact CE1-CG2 3.75Å; F94-L133 HydrophobicContact CD1-CD1 3.96Å; F94-L133 HydrophobicContact CD1-CD2 4.49Å; F94-L133 HydrophobicContact CE1-CD1 4.24Å; F94-L133 HydrophobicContact CE1-CD2 3.98Å; F94-L133 HydrophobicContact CE2-CD2 4.35Å; F94-L133 HydrophobicContact CG-CD1 4.27Å; F94-L133 HydrophobicContact CZ-CD2 3.91Å; F94-F135 HydrophobicContact CB-CD1 4.38Å; F94-F135 HydrophobicContact CB-CE1 3.85Å; F94-F135 HydrophobicContact CB-CZ 4.26Å; F94-F135 AromaticContact CD2-CD1 3.85Å; F94-F135 HydrophobicContact CD2-CD1 3.85Å; F94-F135 HydrophobicContact CD2-CE1 4.02Å; F94-F135 HydrophobicContact CG-CD1 4.39Å; F94-F135 HydrophobicContact CG-CE1 4.1Å; F94-A149 HydrophobicContact CD2-CB 3.95Å; F94-A149 HydrophobicContact CE2-CB 3.68Å; F94-V151 HydrophobicContact CE2-CG2 4.17Å; F94-V151 HydrophobicContact CZ-CG2 3.6Å
95	F	90.2	Very high	91.9	Very high	30 Å²	30	35.2 Å²	35.2	13%	0.132	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-120	124.4	-177.9	-178.6	-112.3	0	0	0	110.4	H92 P97 W102 A140	H92-F95 PolarHBondContact O-N 2.97Å; F95-P97 HydrophobicContact CE1-CB 4.21Å; F95-P97 WeakPolarHBondContact O-CD 3.42Å; F95-W102 HydrophobicContact CB-CD2 4.32Å; F95-W102 HydrophobicContact CB-CE3 3.88Å; F95-W102 HydrophobicContact CB-CH2 3.97Å; F95-W102 HydrophobicContact CB-CZ2 4.36Å; F95-W102 HydrophobicContact CB-CZ3 3.7Å; F95-W102 AromaticContact CD2-CD2 3.92Å; F95-W102 HydrophobicContact CD2-CD2 3.92Å; F95-W102 AromaticContact CD2-CE2 3.63Å; F95-W102 HydrophobicContact CD2-CE3 4.34Å; F95-W102 HydrophobicContact CD2-CG 4.37Å; F95-W102 HydrophobicContact CD2-CH2 4.37Å; F95-W102 AromaticContact CD2-CZ2 3.9Å; F95-W102 HydrophobicContact CD2-CZ2 3.9Å; F95-W102 AromaticContact CD2-NE1 3.84Å; F95-W102 HydrophobicContact CG-CH2 4.36Å; F95-W102 HydrophobicContact CG-CZ2 4.3Å; F95-W102 HydrophobicContact CG-CZ3 4.49Å; F95-A140 HydrophobicContact CD2-CB 4.23Å; F95-A140 HydrophobicContact CE1-CB 4.27Å; F95-A140 HydrophobicContact CE2-CB 3.79Å; F95-A140 HydrophobicContact CZ-CB 3.81Å
96	D	86.6	Confident	91.9	Very high	49 Å²	49	40.1 Å²	40.1	26%	0.262	21%	0.207	S	C	.	.			trans	-93.8	112.3	171.5	178.2	-3.3	0	0	0	109.4	E98 T99 G100 E101	D96-E98 VanDerWaalsContact C-N 3.28Å; D96-E98 PolarHBondContact O-N 3.1Å; D96-E98 WeakPolarHBondContact OD1-CB 3.47Å; D96-E98 PolarHBondContact OD1-N 2.79Å; D96-T99 VanDerWaalsContact CB-OG1 3.29Å; D96-T99 WeakPolarHBondContact CB-OG1 3.21Å; D96-T99 PolarHBondContact OD1-N 3.34Å; D96-T99 VanDerWaalsContact OD2-CG2 3.27Å; D96-T99 WeakPolarHBondContact OD2-CG2 3.4Å; D96-T99 PolarHBondContact OD2-OG1 3.26Å; D96-G100 VanDerWaalsContact O-CA 3.25Å; D96-G100 WeakPolarHBondContact O-CA 3.39Å; D96-G100 PolarHBondContact O-N 2.85Å; D96-E101 PolarHBondContact N-O 2.66Å
97	P	80.9	Confident	91.8	Very high	57 Å²	57	41.9 Å²	41.9	37%	0.37	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-21.4	-179.9	32.6	-38.8	0	0	0	113.5	F95 Y363 P366	F95-P97 HydrophobicContact CE1-CB 4.21Å; F95-P97 WeakPolarHBondContact O-CD 3.42Å; P97-Y363 HydrophobicContact CB-CE2 4.04Å; P97-Y363 HydrophobicContact CG-CD2 3.9Å; P97-Y363 HydrophobicContact CG-CE2 3.65Å; P97-P366 HydrophobicContact CB-CG 4.45Å
98	E	82.5	Confident	91.7	Very high	139 Å²	139	41.9 Å²	41.9	65%	0.65	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-38.2	-179.2	-63.4	-168.8	164	0	0	110.9	D96 R361	D96-E98 VanDerWaalsContact C-N 3.28Å; D96-E98 PolarHBondContact O-N 3.1Å; D96-E98 WeakPolarHBondContact OD1-CB 3.47Å; D96-E98 PolarHBondContact OD1-N 2.79Å; E98-R361 IonicContact OE1-CZ 2.66Å; E98-R361 IonicContact OE1-NH1 3.23Å; E98-R361 PolarHBondContact OE1-NH1 3.08Å
99	T	86.7	Confident	91.7	Very high	82 Å²	82	45.5 Å²	45.5	50%	0.503	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-20.9	179.8	60.4	0	0	0	0	113.5	D96 E101	D96-T99 VanDerWaalsContact CB-OG1 3.29Å; D96-T99 WeakPolarHBondContact CB-OG1 3.21Å; D96-T99 PolarHBondContact OD1-N 3.34Å; D96-T99 VanDerWaalsContact OD2-CG2 3.27Å; D96-T99 WeakPolarHBondContact OD2-CG2 3.4Å; D96-T99 PolarHBondContact OD2-OG1 3.26Å; T99-E101 PolarHBondContact O-N 3.04Å; T99-E101 PolarHBondContact OG1-N 3.24Å
100	G	85.8	Confident	91.7	Very high	43 Å²	43	45.5 Å²	45.5	44%	0.443	23%	0.228	S	C	.	.			trans	72.4	9.8	-171.4	0	0	0	0	0	113.5	D96	D96-G100 VanDerWaalsContact O-CA 3.25Å; D96-G100 WeakPolarHBondContact O-CA 3.39Å; D96-G100 PolarHBondContact O-N 2.85Å
101	E	88.8	Confident	91.9	Very high	125 Å²	125	46.1 Å²	46.1	58%	0.584	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-89.2	152.2	-177.1	-64.9	-168	164.9	0	0	112.3	D96 T99	D96-E101 PolarHBondContact N-O 2.66Å; T99-E101 PolarHBondContact O-N 3.04Å; T99-E101 PolarHBondContact OG1-N 3.24Å
102	W	91.1	Very high	92.1	Very high	56 Å²	56	46.1 Å²	46.1	21%	0.212	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-102	132.7	171.9	-69.7	89	0	0	0	110.1	F94 F95 F135 K137 F139 A140	F94-W102 HydrophobicContact CB-CE3 4.13Å; F94-W102 HydrophobicContact CB-CZ3 4.42Å; F94-W102 CarbonylContact O-C 3.58Å; F94-W102 VanDerWaalsContact O-CA 3.26Å; F94-W102 WeakPolarHBondContact O-CA 3.48Å; F94-W102 VanDerWaalsContact O-CE3 3.28Å; F95-W102 HydrophobicContact CB-CD2 4.32Å; F95-W102 HydrophobicContact CB-CE3 3.88Å; F95-W102 HydrophobicContact CB-CH2 3.97Å; F95-W102 HydrophobicContact CB-CZ2 4.36Å; F95-W102 HydrophobicContact CB-CZ3 3.7Å; F95-W102 AromaticContact CD2-CD2 3.92Å; F95-W102 HydrophobicContact CD2-CD2 3.92Å; F95-W102 AromaticContact CD2-CE2 3.63Å; F95-W102 HydrophobicContact CD2-CE3 4.34Å; F95-W102 HydrophobicContact CD2-CG 4.37Å; F95-W102 HydrophobicContact CD2-CH2 4.37Å; F95-W102 AromaticContact CD2-CZ2 3.9Å; F95-W102 HydrophobicContact CD2-CZ2 3.9Å; F95-W102 AromaticContact CD2-NE1 3.84Å; F95-W102 HydrophobicContact CG-CH2 4.36Å; F95-W102 HydrophobicContact CG-CZ2 4.3Å; F95-W102 HydrophobicContact CG-CZ3 4.49Å; W102-F135 HydrophobicContact CB-CZ 4.44Å; W102-F135 HydrophobicContact CD2-CD2 4.42Å; W102-F135 AromaticContact CD2-CE2 3.52Å; W102-F135 HydrophobicContact CD2-CE2 3.52Å; W102-F135 AromaticContact CD2-CZ 3.97Å; W102-F135 HydrophobicContact CD2-CZ 3.97Å; W102-F135 AromaticContact CE3-CD2 3.74Å; W102-F135 HydrophobicContact CE3-CD2 3.74Å; W102-F135 HydrophobicContact CE3-CE1 4.24Å; W102-F135 AromaticContact CE3-CE2 3.04Å; W102-F135 HydrophobicContact CE3-CE2 3.04Å; W102-F135 AromaticContact CE3-CZ 3.34Å; W102-F135 HydrophobicContact CE3-CZ 3.34Å; W102-F135 HydrophobicContact CG-CE2 4.26Å; W102-F135 HydrophobicContact CG-CZ 4.45Å; W102-F135 AromaticContact CH2-CD2 3.8Å; W102-F135 HydrophobicContact CH2-CD2 3.8Å; W102-F135 AromaticContact CH2-CE2 3.87Å; W102-F135 HydrophobicContact CH2-CE2 3.87Å; W102-F135 HydrophobicContact CZ2-CD2 4.5Å; W102-F135 HydrophobicContact CZ2-CE2 4.3Å; W102-F135 AromaticContact CZ3-CD2 3.38Å; W102-F135 HydrophobicContact CZ3-CD2 3.38Å; W102-F135 HydrophobicContact CZ3-CE1 4.5Å; W102-F135 AromaticContact CZ3-CE2 3.23Å; W102-F135 HydrophobicContact CZ3-CE2 3.23Å; W102-F135 HydrophobicContact CZ3-CG 4.12Å; W102-F135 AromaticContact CZ3-CZ 3.84Å; W102-F135 HydrophobicContact CZ3-CZ 3.84Å; W102-K137 HydrophobicContact CZ2-CB 4.23Å; W102-K137 HydrophobicContact CZ2-CG 4.26Å; W102-F139 HydrophobicContact CH2-CB 4.3Å; W102-F139 HydrophobicContact CH2-CD1 4.04Å; W102-A140 HydrophobicContact CZ2-CB 3.83Å
103	T	93.2	Very high	92.4	Very high	14 Å²	14	45.6 Å²	45.6	9%	0.086	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-64.1	125.6	177.4	-59.5	0	0	0	0	110.4	I59 Y69 F94 R107 V108 L133	I59-T103 HydrophobicContact CG2-CG2 3.35Å; Y69-T103 PolarHBondContact OH-OG1 3.22Å; F94-T103 PolarHBondContact O-N 3Å; T103-R107 HydrophobicContact CG2-CB 3.94Å; T103-V108 HydrophobicContact CG2-CG2 4.02Å; T103-L133 WeakPolarHBondContact O-CD1 3.39Å
104	P	94.8	Very high	92.6	Very high	26 Å²	26	45.9 Å²	45.9	17%	0.169	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-73.9	149.5	173.2	30.6	-34.4	0	0	0	111.9	R106 R107	P104-R106 HydrophobicContact CB-CG 4.32Å; P104-R106 HydrophobicContact CG-CG 4.25Å; P104-R106 PolarHBondContact O-N 2.85Å; P104-R106 VanDerWaalsContact O-N 3.11Å; P104-R107 HydrophobicContact CG-CG 4.06Å; P104-R107 PolarHBondContact O-N 3.41Å
105	E	94.7	Very high	92.7	Very high	84 Å²	84	46.5 Å²	46.5	39%	0.393	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-55.9	-33.7	-175.6	68.7	-72.3	166.8	0	0	113.6	R107 V108 A130 L133	E105-R107 PolarHBondContact O-N 3.35Å; E105-V108 PolarHBondContact O-N 3.07Å; E105-A130 HydrophobicContact CB-CB 4.37Å; E105-L133 HydrophobicContact CB-CD1 4.15Å; E105-L133 HydrophobicContact CB-CG 3.84Å
106	R	95.8	Very high	93	Very high	119 Å²	119	47.5 Å²	47.5	45%	0.449	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-58.5	-19.8	179.1	70.4	176.3	-179.5	-88.4	3	114.2	D63 P104 K129	D63-R106 IonicContact OD1-CZ 3.67Å; D63-R106 IonicContact OD1-NE 3.59Å; D63-R106 PolarHBondContact OD1-NE 3.15Å; D63-R106 VanDerWaalsContact OD1-NE 3.1Å; D63-R106 IonicContact OD1-NH2 2.85Å; D63-R106 IonicContact OD2-CZ 3.62Å; D63-R106 IonicContact OD2-NE 3.79Å; D63-R106 IonicContact OD2-NH2 3.6Å; D63-R106 PolarHBondContact OD2-NH2 2.94Å; P104-R106 HydrophobicContact CB-CG 4.32Å; P104-R106 HydrophobicContact CG-CG 4.25Å; P104-R106 PolarHBondContact O-N 2.85Å; P104-R106 VanDerWaalsContact O-N 3.11Å; R106-K129 WeakPolarHBondContact O-CE 3.48Å
107	R	96	Very high	93.3	Very high	37 Å²	37	46 Å²	46	14%	0.14	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-94.1	0.3	-179.7	-66.8	-172.9	-168.5	161.6	1.5	113.4	Y60 M61 D63 T103 P104 E105	Y60-R107 PolarHBondContact N-O 2.76Å; Y60-R107 WeakPolarHBondContact O-CD 3.46Å; M61-R107 PolarHBondContact O-NH1 3.13Å; D63-R107 VanDerWaalsContact CG-NE 3.33Å; D63-R107 VanDerWaalsContact CG-NH2 3.32Å; D63-R107 IonicContact OD1-CZ 3.68Å; D63-R107 IonicContact OD1-NE 3.62Å; D63-R107 PolarHBondContact OD1-NE 2.81Å; D63-R107 IonicContact OD1-NH2 2.78Å; D63-R107 IonicContact OD2-CZ 3.71Å; D63-R107 IonicContact OD2-NE 3.21Å; D63-R107 IonicContact OD2-NH2 2.69Å; D63-R107 PolarHBondContact OD2-NH2 3.26Å; T103-R107 HydrophobicContact CG2-CB 3.94Å; P104-R107 HydrophobicContact CG-CG 4.06Å; P104-R107 PolarHBondContact O-N 3.41Å; E105-R107 PolarHBondContact O-N 3.35Å
108	V	97.4	Very high	93.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.3	-172.3	-178.7	0	0	0	0	110.7	L57 I59 F94 T103 E105 A130 L133 V151	L57-V108 HydrophobicContact CD2-CG1 4.37Å; I59-V108 HydrophobicContact CG1-CG1 4.38Å; I59-V108 HydrophobicContact CG1-CG2 4.37Å; I59-V108 HydrophobicContact CG2-CG2 4.08Å; F94-V108 HydrophobicContact CD1-CG2 4.08Å; F94-V108 HydrophobicContact CE1-CG1 3.99Å; F94-V108 HydrophobicContact CE1-CG2 3.75Å; T103-V108 HydrophobicContact CG2-CG2 4.02Å; E105-V108 PolarHBondContact O-N 3.07Å; V108-A130 HydrophobicContact CB-CB 3.75Å; V108-A130 HydrophobicContact CG1-CB 3.96Å; V108-A130 PolarHBondContact O-N 2.95Å; V108-L133 HydrophobicContact CG1-CD2 4.5Å; V108-L133 HydrophobicContact CG2-CD1 4.09Å; V108-L133 HydrophobicContact CG2-CD2 4.4Å; V108-V151 HydrophobicContact CG1-CG1 4.44Å
109	Y	97.8	Very high	94.5	Very high	76 Å²	76	47 Å²	47	30%	0.298	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.1	174	-66.5	-97.8	0	0	0	110.3	L57 V58 Y60 V127 L128 K129	L57-Y109 CarbonylContact C-O 3.56Å; L57-Y109 WeakPolarHBondContact CA-O 3.28Å; V58-Y109 PolarHBondContact N-O 2.99Å; V58-Y109 PolarHBondContact O-N 3.25Å; Y60-Y109 HydrophobicContact CD2-CD2 4.03Å; Y60-Y109 HydrophobicContact CD2-CE2 4.09Å; Y60-Y109 AromaticContact CE2-CD2 3.75Å; Y60-Y109 HydrophobicContact CE2-CD2 3.75Å; Y60-Y109 AromaticContact CE2-CE2 3.83Å; Y60-Y109 HydrophobicContact CE2-CE2 3.83Å; Y109-V127 HydrophobicContact CD1-CG1 4.06Å; Y109-L128 CarbonylContact C-O 3.43Å; Y109-L128 WeakPolarHBondContact CA-O 3.4Å; Y109-K129 HydrophobicContact CD1-CB 4.13Å; Y109-K129 HydrophobicContact CD1-CG 4.37Å; Y109-K129 HydrophobicContact CE1-CB 3.97Å; Y109-K129 HydrophobicContact CE1-CD 4.22Å; Y109-K129 HydrophobicContact CE1-CG 4.01Å
110	A	98.3	Very high	94.8	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.008	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.1	174.3	0	0	0	0	0	110.2	V55 L57 V127 L128 L153	V55-A110 HydrophobicContact CG1-CB 3.82Å; L57-A110 HydrophobicContact CD2-CB 3.96Å; A110-V127 WeakPolarHBondContact O-CA 3.18Å; A110-L128 PolarHBondContact N-O 2.84Å; A110-L128 PolarHBondContact O-N 2.84Å; A110-L153 HydrophobicContact CB-CD1 4.43Å; A110-L153 HydrophobicContact CB-CD2 3.55Å
111	L	98.1	Very high	95.2	Very high	13 Å²	13	55 Å²	55	7%	0.068	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.4	169.2	-79.3	63.2	0	0	0	107.9	R56 V58 I114 H126 V127	R56-L111 HydrophobicContact CB-CB 4.11Å; R56-L111 PolarHBondContact N-O 2.66Å; R56-L111 PolarHBondContact O-N 2.78Å; V58-L111 HydrophobicContact CB-CD1 4.49Å; V58-L111 HydrophobicContact CG2-CD1 3.84Å; L111-I114 HydrophobicContact CB-CD1 3.93Å; L111-I114 HydrophobicContact CB-CG1 4.33Å; L111-I114 HydrophobicContact CB-CG2 4.45Å; L111-I114 HydrophobicContact CD2-CD1 4.22Å; L111-H126 WeakPolarHBondContact CA-O 3Å; L111-V127 HydrophobicContact CD1-CG1 4.2Å; L111-V127 HydrophobicContact CD1-CG2 4.36Å; L111-V127 HydrophobicContact CG-CG2 4.18Å
112	V	98	Very high	95.5	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	160.5	179.1	-52.4	0	0	0	0	110.5	V55 L75 I114 H126 L128 V157 T163	V55-V112 HydrophobicContact CB-CG1 4.49Å; V55-V112 HydrophobicContact CG1-CG1 4.08Å; V55-V112 HydrophobicContact CG2-CG1 3.93Å; L75-V112 HydrophobicContact CD2-CG1 4.21Å; V112-I114 PolarHBondContact O-N 3.1Å; V112-H126 HydrophobicContact CG2-CB 3.72Å; V112-H126 PolarHBondContact N-O 2.85Å; V112-H126 PolarHBondContact O-N 3.32Å; V112-H126 VanDerWaalsContact O-N 3.08Å; V112-L128 HydrophobicContact CG1-CD1 4.22Å; V112-L128 HydrophobicContact CG2-CD1 3.56Å; V112-V157 HydrophobicContact CG2-CG1 4Å; V112-V157 HydrophobicContact CG2-CG2 4.22Å; V112-T163 HydrophobicContact CB-CG2 4.28Å; V112-T163 HydrophobicContact CG2-CG2 4.04Å
113	G	97	Very high	95.8	Very high	5 Å²	5	55.4 Å²	55.4	5%	0.052	26%	0.262	C	S	.	.	S	Bend	trans	68.5	8.3	-179.1	0	0	0	0	0	114.4	H49 T124	H49-G113 PolarHBondContact ND1-O 2.82Å; H49-G113 VanDerWaalsContact ND1-O 3.11Å; G113-T124 WeakPolarHBondContact CA-O 3.3Å; G113-T124 WeakPolarHBondContact O-CB 3.28Å; G113-T124 PolarHBondContact O-OG1 2.92Å
114	I	97.1	Very high	95.9	Very high	7 Å²	7	56.1 Å²	56.1	4%	0.036	27%	0.266	C	S	.	.			trans	-89.6	146.5	-177.9	60.7	156.8	0	0	0	113	R56 L111 V112 E122 R125 W186	R56-I114 HydrophobicContact CB-CD1 3.84Å; R56-I114 HydrophobicContact CG-CD1 4.46Å; L111-I114 HydrophobicContact CB-CD1 3.93Å; L111-I114 HydrophobicContact CB-CG1 4.33Å; L111-I114 HydrophobicContact CB-CG2 4.45Å; L111-I114 HydrophobicContact CD2-CD1 4.22Å; V112-I114 PolarHBondContact O-N 3.1Å; I114-E122 VanDerWaalsContact CA-OE1 3.27Å; I114-E122 WeakPolarHBondContact CA-OE1 3.25Å; I114-R125 HydrophobicContact CG2-CB 3.81Å; I114-R125 HydrophobicContact CG2-CG 3.59Å; I114-W186 HydrophobicContact CD1-CH2 3.82Å; I114-W186 HydrophobicContact CD1-CZ2 3.6Å; I114-W186 HydrophobicContact CG1-CH2 3.8Å; I114-W186 HydrophobicContact CG1-CZ2 3.67Å
115	H	96.1	Very high	96	Very high	14 Å²	14	57.1 Å²	57.1	7%	0.065	27%	0.267	C	S	.	.	S	Bend	trans	-111.3	-47	164.6	-179.3	63	0	0	0	110.6	E45 A46 P48 E122 W186 A198 L199	E45-H115 IonicContact OE1-CD2 3.92Å; E45-H115 IonicContact OE1-CE1 2.73Å; E45-H115 IonicContact OE1-NE2 2.8Å; E45-H115 PolarHBondContact OE1-NE2 3.25Å; A46-H115 PolarHBondContact O-CE1 3.1Å; P48-H115 HydrophobicContact CB-CB 4.21Å; H115-E122 PolarHBondContact N-OE1 2.78Å; H115-W186 PolarHBondContact O-NE1 2.86Å; H115-A198 CarbonylContact O-C 3.59Å; H115-A198 WeakPolarHBondContact O-CA 3.26Å; H115-L199 PolarHBondContact O-N 2.92Å
116	N	96	Very high	96.1	Very high	50 Å²	50	57.2 Å²	57.2	27%	0.267	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-107.9	110.5	-180	-170.6	-43.4	0	0	0	111.3	K118 N119 E122 R125 D197	N116-K118 PolarHBondContact O-N 3.33Å; N116-K118 VanDerWaalsContact O-N 3.15Å; N116-K118 PolarHBondContact OD1-N 2.95Å; N116-N119 HydrophobicContact CB-CB 3.92Å; N116-N119 PolarHBondContact O-N 2.99Å; N116-N119 PolarHBondContact OD1-N 3.05Å; N116-E122 PolarHBondContact N-OE2 2.98Å; N116-R125 PolarHBondContact O-NH1 2.84Å; N116-D197 CarbonylContact C-O 2.92Å; N116-D197 VanDerWaalsContact CA-O 3.3Å; N116-D197 WeakPolarHBondContact CA-O 3.23Å
117	E	92.8	Very high	96.2	Very high	19 Å²	19	55.6 Å²	55.6	9%	0.089	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-30	-177.9	-175.6	171.5	-148.8	0	0	112.4	R56 K70 R125 D197	R56-E117 WeakPolarHBondContact CG-OE1 3.21Å; R56-E117 IonicContact CZ-OE1 3.5Å; R56-E117 IonicContact CZ-OE2 3.72Å; R56-E117 IonicContact NE-OE1 3.78Å; R56-E117 PolarHBondContact NE-OE1 2.98Å; R56-E117 IonicContact NE-OE2 3.19Å; R56-E117 IonicContact NH2-OE1 3.83Å; R56-E117 IonicContact NH2-OE2 2.73Å; R56-E117 PolarHBondContact NH2-OE2 2.65Å; K70-E117 VanDerWaalsContact CD-OE1 3.26Å; K70-E117 WeakPolarHBondContact CD-OE1 3.27Å; K70-E117 WeakPolarHBondContact CE-OE1 3.13Å; K70-E117 IonicContact NZ-OE1 2.82Å; K70-E117 PolarHBondContact NZ-OE1 3.15Å; K70-E117 IonicContact NZ-OE2 3.64Å; K70-E117 PolarHBondContact NZ-OE2 2.81Å; E117-R125 PolarHBondContact O-NH2 2.94Å; E117-D197 PolarHBondContact N-O 3.11Å
118	K	92.8	Very high	96.3	Very high	148 Å²	148	54.3 Å²	54.3	64%	0.643	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-14.3	178.6	-73.1	-167.8	-178	141.4	0	114.8	N116 D120 D197	N116-K118 PolarHBondContact O-N 3.33Å; N116-K118 VanDerWaalsContact O-N 3.15Å; N116-K118 PolarHBondContact OD1-N 2.95Å; K118-D120 PolarHBondContact O-N 3.44Å; K118-D120 VanDerWaalsContact O-N 3.13Å; K118-D197 HydrophobicContact CD-CB 4.43Å; K118-D197 VanDerWaalsContact CD-CG 3.45Å; K118-D197 VanDerWaalsContact CD-OD1 3.27Å; K118-D197 WeakPolarHBondContact CD-OD1 3.47Å; K118-D197 WeakPolarHBondContact CD-OD2 3.37Å; K118-D197 VanDerWaalsContact CE-CG 3.5Å; K118-D197 WeakPolarHBondContact CE-OD1 3.04Å; K118-D197 WeakPolarHBondContact CE-OD2 3.4Å; K118-D197 HydrophobicContact CG-CB 4.33Å; K118-D197 WeakPolarHBondContact CG-OD1 3.42Å; K118-D197 IonicContact NZ-OD1 3.82Å; K118-D197 PolarHBondContact NZ-OD1 3.06Å; K118-D197 IonicContact NZ-OD2 2.76Å; K118-D197 PolarHBondContact NZ-OD2 2.96Å
119	N	95.8	Very high	96.3	Very high	69 Å²	69	57.4 Å²	57.4	37%	0.369	28%	0.279	S	S	.	.			trans	-86.3	77.6	-176.8	-175.5	15.1	0	0	0	112.2	N116 K121 E122 R125	N116-N119 HydrophobicContact CB-CB 3.92Å; N116-N119 PolarHBondContact O-N 2.99Å; N116-N119 PolarHBondContact OD1-N 3.05Å; N119-K121 PolarHBondContact O-N 2.98Å; N119-K121 PolarHBondContact OD1-N 2.81Å; N119-E122 HydrophobicContact CB-CB 4.32Å; N119-E122 VanDerWaalsContact O-CB 3.24Å; N119-E122 WeakPolarHBondContact O-CB 3.47Å; N119-E122 PolarHBondContact O-N 2.83Å; N119-R125 PolarHBondContact O-NH1 2.78Å
120	D	93.5	Very high	96.3	Very high	120 Å²	120	53.9 Å²	53.9	64%	0.642	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-18.4	179.1	65.1	-14.7	0	0	0	114.8	K118	K118-D120 PolarHBondContact O-N 3.44Å; K118-D120 VanDerWaalsContact O-N 3.13Å
121	K	94.8	Very high	96.3	Very high	172 Å²	172	58.4 Å²	58.4	75%	0.748	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	5.6	177.3	-65	174.6	-173.8	-178.4	0	114.8	N119 L123	N119-K121 PolarHBondContact O-N 2.98Å; N119-K121 PolarHBondContact OD1-N 2.81Å; K121-L123 PolarHBondContact O-N 2.93Å
122	E	95.3	Very high	96.2	Very high	19 Å²	19	59 Å²	59	9%	0.089	29%	0.29	C	S	.	.			trans	-61.5	116.2	175.6	-171.7	169.5	150.2	0	0	110.5	H49 I114 H115 N116 N119 T124 R125	H49-E122 IonicContact CE1-OE1 2.79Å; H49-E122 PolarHBondContact CE1-OE1 2.83Å; H49-E122 IonicContact ND1-OE1 3.76Å; H49-E122 IonicContact NE2-OE1 2.92Å; I114-E122 VanDerWaalsContact CA-OE1 3.27Å; I114-E122 WeakPolarHBondContact CA-OE1 3.25Å; H115-E122 PolarHBondContact N-OE1 2.78Å; N116-E122 PolarHBondContact N-OE2 2.98Å; N119-E122 HydrophobicContact CB-CB 4.32Å; N119-E122 VanDerWaalsContact O-CB 3.24Å; N119-E122 WeakPolarHBondContact O-CB 3.47Å; N119-E122 PolarHBondContact O-N 2.83Å; E122-T124 PolarHBondContact O-N 2.94Å; E122-T124 VanDerWaalsContact O-N 3.09Å; E122-R125 HydrophobicContact CB-CB 4.25Å; E122-R125 WeakPolarHBondContact O-CB 3.24Å; E122-R125 PolarHBondContact O-N 3.22Å
123	L	95.8	Very high	96	Very high	170 Å²	170	60.6 Å²	60.6	89%	0.89	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.2	-168.9	-67.7	175.9	0	0	0	114.4	K121 R125	K121-L123 PolarHBondContact O-N 2.93Å; L123-R125 VanDerWaalsContact C-N 3.34Å
124	T	96.1	Very high	95.9	Very high	29 Å²	29	63.1 Å²	63.1	18%	0.178	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-2.6	-179	56.3	0	0	0	0	112.3	H49 G113 E122 H126 E162	H49-T124 PolarHBondContact CE1-OG1 3.35Å; H49-T124 PolarHBondContact ND1-OG1 2.92Å; G113-T124 WeakPolarHBondContact CA-O 3.3Å; G113-T124 WeakPolarHBondContact O-CB 3.28Å; G113-T124 PolarHBondContact O-OG1 2.92Å; E122-T124 PolarHBondContact O-N 2.94Å; E122-T124 VanDerWaalsContact O-N 3.09Å; T124-H126 PolarHBondContact O-CD2 2.82Å; T124-H126 PolarHBondContact O-N 2.91Å; T124-E162 HydrophobicContact CG2-CB 4.29Å; T124-E162 HydrophobicContact CG2-CG 3.69Å
125	R	97.1	Very high	95.6	Very high	48 Å²	48	64.1 Å²	64.1	18%	0.181	31%	0.313	C	S	.	.			trans	-71.7	124.3	-179.2	179.7	-177.6	-142.8	107.8	0.7	110.3	I114 N116 E117 N119 E122 L123 V127	I114-R125 HydrophobicContact CG2-CB 3.81Å; I114-R125 HydrophobicContact CG2-CG 3.59Å; N116-R125 PolarHBondContact O-NH1 2.84Å; E117-R125 PolarHBondContact O-NH2 2.94Å; N119-R125 PolarHBondContact O-NH1 2.78Å; E122-R125 HydrophobicContact CB-CB 4.25Å; E122-R125 WeakPolarHBondContact O-CB 3.24Å; E122-R125 PolarHBondContact O-N 3.22Å; L123-R125 VanDerWaalsContact C-N 3.34Å; R125-V127 HydrophobicContact CG-CG2 4.45Å
126	H	97.1	Very high	95.1	Very high	86 Å²	86	65.3 Å²	65.3	40%	0.398	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	133	165.9	-56.6	-84	0	0	0	110	L111 V112 T124 L128	L111-H126 WeakPolarHBondContact CA-O 3Å; V112-H126 HydrophobicContact CG2-CB 3.72Å; V112-H126 PolarHBondContact N-O 2.85Å; V112-H126 PolarHBondContact O-N 3.32Å; V112-H126 VanDerWaalsContact O-N 3.08Å; T124-H126 PolarHBondContact O-CD2 2.82Å; T124-H126 PolarHBondContact O-N 2.91Å; H126-L128 HydrophobicContact CB-CD1 3.81Å
127	V	97.5	Very high	94.3	Very high	84 Å²	84	69.1 Å²	69.1	51%	0.509	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	112.1	174.9	-176.3	0	0	0	0	107.7	Y109 A110 L111 R125	Y109-V127 HydrophobicContact CD1-CG1 4.06Å; A110-V127 WeakPolarHBondContact O-CA 3.18Å; L111-V127 HydrophobicContact CD1-CG1 4.2Å; L111-V127 HydrophobicContact CD1-CG2 4.36Å; L111-V127 HydrophobicContact CG-CG2 4.18Å; R125-V127 HydrophobicContact CG-CG2 4.45Å
128	L	98.1	Very high	93.5	Very high	10 Å²	10	73.2 Å²	73.2	5%	0.052	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.6	-177.2	-58.9	102.8	0	0	0	109.7	Y109 A110 V112 H126 L153 Q155 V157	Y109-L128 CarbonylContact C-O 3.43Å; Y109-L128 WeakPolarHBondContact CA-O 3.4Å; A110-L128 PolarHBondContact N-O 2.84Å; A110-L128 PolarHBondContact O-N 2.84Å; V112-L128 HydrophobicContact CG1-CD1 4.22Å; V112-L128 HydrophobicContact CG2-CD1 3.56Å; H126-L128 HydrophobicContact CB-CD1 3.81Å; L128-L153 HydrophobicContact CB-CB 4.38Å; L128-L153 HydrophobicContact CB-CD1 4.11Å; L128-L153 HydrophobicContact CB-CD2 4.18Å; L128-L153 HydrophobicContact CB-CG 4.45Å; L128-L153 HydrophobicContact CD1-CD1 4.38Å; L128-L153 HydrophobicContact CD2-CB 4.47Å; L128-L153 HydrophobicContact CD2-CD1 4.12Å; L128-L153 HydrophobicContact CG-CD1 4.44Å; L128-Q155 HydrophobicContact CD2-CB 3.97Å; L128-Q155 WeakPolarHBondContact CD2-O 3.1Å; L128-V157 HydrophobicContact CD1-CG2 3.96Å; L128-V157 HydrophobicContact CD2-CG2 3.77Å
129	K	98	Very high	92.5	Very high	66 Å²	66	66.4 Å²	66.4	29%	0.287	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	147.9	175.3	-170.8	175.5	170.4	-155.4	0	110.5	R106 Y109 L153 E154	R106-K129 WeakPolarHBondContact O-CE 3.48Å; Y109-K129 HydrophobicContact CD1-CB 4.13Å; Y109-K129 HydrophobicContact CD1-CG 4.37Å; Y109-K129 HydrophobicContact CE1-CB 3.97Å; Y109-K129 HydrophobicContact CE1-CD 4.22Å; Y109-K129 HydrophobicContact CE1-CG 4.01Å; K129-L153 WeakPolarHBondContact O-CA 3.37Å; K129-E154 HydrophobicContact CB-CG 4.32Å; K129-E154 WeakPolarHBondContact CD-OE1 3.09Å; K129-E154 IonicContact NZ-OE1 3.1Å; K129-E154 PolarHBondContact O-N 2.89Å
130	A	97.9	Very high	91	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	130.5	170.8	0	0	0	0	0	110.8	E105 V108 L133 V151 Q152	E105-A130 HydrophobicContact CB-CB 4.37Å; V108-A130 HydrophobicContact CB-CB 3.75Å; V108-A130 HydrophobicContact CG1-CB 3.96Å; V108-A130 PolarHBondContact O-N 2.95Å; A130-L133 HydrophobicContact CB-CD2 4.35Å; A130-V151 HydrophobicContact CB-CG1 3.54Å; A130-Q152 CarbonylContact C-O 3.42Å; A130-Q152 WeakPolarHBondContact CA-O 3.48Å
131	K	96.6	Very high	89.5	Confident	97 Å²	97	66.2 Å²	66.2	42%	0.422	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-38.7	170.6	-179.1	176	176.9	-178.6	0	111.8	Q152 E154	K131-Q152 PolarHBondContact N-O 3.15Å; K131-E154 HydrophobicContact CB-CB 4.5Å; K131-E154 HydrophobicContact CB-CG 3.84Å
132	S	95.9	Very high	88	Confident	25 Å²	25	61.1 Å²	61.1	18%	0.175	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	157.4	178.4	62.3	0	0	0	0	111.2	Q152 F288	S132-Q152 PolarHBondContact N-O 3.09Å; S132-Q152 PolarHBondContact O-N 2.91Å; S132-Q152 VanDerWaalsContact OG-CB 3.3Å; S132-Q152 WeakPolarHBondContact OG-CB 3.48Å; S132-Q152 PolarHBondContact OG-OE1 3.27Å; S132-Q152 VanDerWaalsContact OG-OE1 3.12Å; S132-F288 WeakPolarHBondContact OG-CD1 3.39Å; S132-F288 WeakPolarHBondContact OG-CE1 3.14Å
133	L	95.1	Very high	86.3	Confident	33 Å²	33	60.3 Å²	60.3	17%	0.173	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.9	176	-58.6	174.3	0	0	0	109.1	F94 T103 E105 V108 A130 F135 L150 V151	F94-L133 HydrophobicContact CD1-CD1 3.96Å; F94-L133 HydrophobicContact CD1-CD2 4.49Å; F94-L133 HydrophobicContact CE1-CD1 4.24Å; F94-L133 HydrophobicContact CE1-CD2 3.98Å; F94-L133 HydrophobicContact CE2-CD2 4.35Å; F94-L133 HydrophobicContact CG-CD1 4.27Å; F94-L133 HydrophobicContact CZ-CD2 3.91Å; T103-L133 WeakPolarHBondContact O-CD1 3.39Å; E105-L133 HydrophobicContact CB-CD1 4.15Å; E105-L133 HydrophobicContact CB-CG 3.84Å; V108-L133 HydrophobicContact CG1-CD2 4.5Å; V108-L133 HydrophobicContact CG2-CD1 4.09Å; V108-L133 HydrophobicContact CG2-CD2 4.4Å; A130-L133 HydrophobicContact CB-CD2 4.35Å; L133-F135 HydrophobicContact CB-CD1 4.15Å; L133-F135 HydrophobicContact CB-CE1 3.74Å; L133-F135 HydrophobicContact CD1-CE1 4.15Å; L133-L150 WeakPolarHBondContact CA-O 3.29Å; L133-V151 HydrophobicContact CD2-CB 4.11Å; L133-V151 HydrophobicContact CD2-CG1 3.85Å; L133-V151 HydrophobicContact CD2-CG2 3.7Å
134	F	94.2	Very high	84.7	Confident	59 Å²	59	52.6 Å²	52.6	26%	0.259	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	120.8	172.9	-167.9	-81.6	0	0	0	110.5	A149 L150 W280 S284 Q287 F288	F134-A149 CarbonylContact O-C 3.55Å; F134-A149 WeakPolarHBondContact O-CA 3.48Å; F134-L150 HydrophobicContact CB-CB 4.33Å; F134-L150 PolarHBondContact N-O 2.93Å; F134-L150 PolarHBondContact O-N 2.82Å; F134-W280 HydrophobicContact CD1-CH2 4.19Å; F134-W280 AromaticContact CD1-CZ2 3.68Å; F134-W280 HydrophobicContact CD1-CZ2 3.68Å; F134-W280 AromaticContact CE1-CZ2 3.79Å; F134-W280 HydrophobicContact CE1-CZ2 3.79Å; F134-S284 VanDerWaalsContact CD1-CB 3.42Å; F134-S284 WeakPolarHBondContact CD1-OG 3.47Å; F134-S284 VanDerWaalsContact CE1-CB 3.43Å; F134-S284 WeakPolarHBondContact CE1-OG 3.35Å; F134-Q287 HydrophobicContact CD2-CB 3.98Å; F134-Q287 HydrophobicContact CD2-CG 4.2Å; F134-Q287 HydrophobicContact CE2-CB 3.84Å; F134-Q287 HydrophobicContact CE2-CG 3.58Å; F134-Q287 HydrophobicContact CZ-CG 4.11Å; F134-F288 HydrophobicContact CB-CE1 3.83Å; F134-F288 HydrophobicContact CB-CZ 3.58Å
135	F	91.5	Very high	83.3	Confident	28 Å²	28	52 Å²	52	12%	0.123	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	159	176.9	46.8	-102.4	0	0	0	108.7	A91 F94 W102 L133 K137 A149	A91-F135 HydrophobicContact CB-CB 4.17Å; F94-F135 HydrophobicContact CB-CD1 4.38Å; F94-F135 HydrophobicContact CB-CE1 3.85Å; F94-F135 HydrophobicContact CB-CZ 4.26Å; F94-F135 AromaticContact CD2-CD1 3.85Å; F94-F135 HydrophobicContact CD2-CD1 3.85Å; F94-F135 HydrophobicContact CD2-CE1 4.02Å; F94-F135 HydrophobicContact CG-CD1 4.39Å; F94-F135 HydrophobicContact CG-CE1 4.1Å; W102-F135 HydrophobicContact CB-CZ 4.44Å; W102-F135 HydrophobicContact CD2-CD2 4.42Å; W102-F135 AromaticContact CD2-CE2 3.52Å; W102-F135 HydrophobicContact CD2-CE2 3.52Å; W102-F135 AromaticContact CD2-CZ 3.97Å; W102-F135 HydrophobicContact CD2-CZ 3.97Å; W102-F135 AromaticContact CE3-CD2 3.74Å; W102-F135 HydrophobicContact CE3-CD2 3.74Å; W102-F135 HydrophobicContact CE3-CE1 4.24Å; W102-F135 AromaticContact CE3-CE2 3.04Å; W102-F135 HydrophobicContact CE3-CE2 3.04Å; W102-F135 AromaticContact CE3-CZ 3.34Å; W102-F135 HydrophobicContact CE3-CZ 3.34Å; W102-F135 HydrophobicContact CG-CE2 4.26Å; W102-F135 HydrophobicContact CG-CZ 4.45Å; W102-F135 AromaticContact CH2-CD2 3.8Å; W102-F135 HydrophobicContact CH2-CD2 3.8Å; W102-F135 AromaticContact CH2-CE2 3.87Å; W102-F135 HydrophobicContact CH2-CE2 3.87Å; W102-F135 HydrophobicContact CZ2-CD2 4.5Å; W102-F135 HydrophobicContact CZ2-CE2 4.3Å; W102-F135 AromaticContact CZ3-CD2 3.38Å; W102-F135 HydrophobicContact CZ3-CD2 3.38Å; W102-F135 HydrophobicContact CZ3-CE1 4.5Å; W102-F135 AromaticContact CZ3-CE2 3.23Å; W102-F135 HydrophobicContact CZ3-CE2 3.23Å; W102-F135 HydrophobicContact CZ3-CG 4.12Å; W102-F135 AromaticContact CZ3-CZ 3.84Å; W102-F135 HydrophobicContact CZ3-CZ 3.84Å; L133-F135 HydrophobicContact CB-CD1 4.15Å; L133-F135 HydrophobicContact CB-CE1 3.74Å; L133-F135 HydrophobicContact CD1-CE1 4.15Å; F135-K137 HydrophobicContact CD2-CG 4.25Å; F135-K137 HydrophobicContact CE2-CG 3.9Å; F135-K137 PolarHBondContact O-N 2.97Å; F135-A149 HydrophobicContact CB-CB 3.77Å; F135-A149 HydrophobicContact CD1-CB 4.29Å
136	N	84.5	Confident	82.6	Confident	39 Å²	39	52.7 Å²	52.7	21%	0.209	26%	0.26	C	S	.	.			trans	-81.5	113.5	175.9	-166.3	-13.4	0	0	0	110.5	Q138 F139 E146	N136-Q138 PolarHBondContact O-N 2.69Å; N136-Q138 VanDerWaalsContact O-N 3.14Å; N136-Q138 VanDerWaalsContact OD1-CB 3.26Å; N136-Q138 WeakPolarHBondContact OD1-CB 3.17Å; N136-Q138 PolarHBondContact OD1-N 3.4Å; N136-Q138 PolarHBondContact OD1-OE1 2.53Å; N136-F139 WeakPolarHBondContact O-CB 3.25Å; N136-F139 PolarHBondContact O-N 2.05Å; N136-E146 HydrophobicContact CB-CB 4.49Å; N136-E146 WeakPolarHBondContact CB-OE2 3.49Å; N136-E146 VanDerWaalsContact CG-OE2 3.28Å; N136-E146 PolarHBondContact ND2-OE2 3.23Å
137	K	80.3	Confident	82.3	Confident	129 Å²	129	48.7 Å²	48.7	56%	0.561	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.1	176.9	-71.1	-175.4	178.8	-177.5	0	113	W102 F135 F139 A140	W102-K137 HydrophobicContact CZ2-CB 4.23Å; W102-K137 HydrophobicContact CZ2-CG 4.26Å; F135-K137 HydrophobicContact CD2-CG 4.25Å; F135-K137 HydrophobicContact CE2-CG 3.9Å; F135-K137 PolarHBondContact O-N 2.97Å; K137-F139 PolarHBondContact O-N 2.88Å; K137-A140 PolarHBondContact O-N 2.98Å; K137-A140 VanDerWaalsContact O-N 3.16Å
138	Q	74.8	Confident	82.2	Confident	106 Å²	106	44.8 Å²	44.8	50%	0.495	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.7	172.5	-78.4	61.7	4.5	0	0	111.7	N136 A140 K141 V142	N136-Q138 PolarHBondContact O-N 2.69Å; N136-Q138 VanDerWaalsContact O-N 3.14Å; N136-Q138 VanDerWaalsContact OD1-CB 3.26Å; N136-Q138 WeakPolarHBondContact OD1-CB 3.17Å; N136-Q138 PolarHBondContact OD1-N 3.4Å; N136-Q138 PolarHBondContact OD1-OE1 2.53Å; Q138-A140 PolarHBondContact O-N 3.19Å; Q138-K141 WeakPolarHBondContact O-CB 3.32Å; Q138-K141 PolarHBondContact O-N 3.22Å; Q138-V142 PolarHBondContact O-N 3.02Å
139	F	73.3	Confident	82.1	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-48.2	-44.9	167.7	174.6	-100.4	0	0	0	111.8	A91 H92 W102 N136 K137 K141 V142 G143 D147	A91-F139 HydrophobicContact CB-CB 4.27Å; A91-F139 HydrophobicContact CB-CD1 4.06Å; A91-F139 HydrophobicContact CB-CD2 4.3Å; A91-F139 HydrophobicContact CB-CG 3.92Å; H92-F139 HydrophobicContact CB-CE1 3.74Å; H92-F139 HydrophobicContact CB-CZ 3.73Å; W102-F139 HydrophobicContact CH2-CB 4.3Å; W102-F139 HydrophobicContact CH2-CD1 4.04Å; N136-F139 WeakPolarHBondContact O-CB 3.25Å; N136-F139 PolarHBondContact O-N 2.05Å; K137-F139 PolarHBondContact O-N 2.88Å; F139-K141 PolarHBondContact O-N 2.88Å; F139-V142 PolarHBondContact O-N 3.26Å; F139-V142 VanDerWaalsContact O-N 3.13Å; F139-G143 WeakPolarHBondContact CE2-O 3.49Å; F139-G143 VanDerWaalsContact CZ-O 3.24Å; F139-G143 WeakPolarHBondContact CZ-O 3.1Å; F139-G143 WeakPolarHBondContact O-CA 3.41Å; F139-G143 PolarHBondContact O-N 2.81Å; F139-D147 HydrophobicContact CD2-CB 4.13Å; F139-D147 HydrophobicContact CE2-CB 3.57Å; F139-D147 HydrophobicContact CZ-CB 4.31Å
140	A	63.1	Low	82.1	Confident	21 Å²	21	41.1 Å²	41.1	17%	0.174	20%	0.202	C	C	.	.	H	α-helix	trans	-60.5	-24	-179.9	0	0	0	0	0	113.6	F95 W102 K137 Q138 Y367	F95-A140 HydrophobicContact CD2-CB 4.23Å; F95-A140 HydrophobicContact CE1-CB 4.27Å; F95-A140 HydrophobicContact CE2-CB 3.79Å; F95-A140 HydrophobicContact CZ-CB 3.81Å; W102-A140 HydrophobicContact CZ2-CB 3.83Å; K137-A140 PolarHBondContact O-N 2.98Å; K137-A140 VanDerWaalsContact O-N 3.16Å; Q138-A140 PolarHBondContact O-N 3.19Å; A140-Y367 PolarHBondContact O-OH 2.83Å
141	K	62.1	Low	82	Confident	164 Å²	164	41.1 Å²	41.1	71%	0.713	20%	0.201	S	C	*	.	H	α-helix	trans	-86.7	-31.7	178.4	-62.2	-174.5	177.8	-176.1	0	113.5	Q138 F139	Q138-K141 WeakPolarHBondContact O-CB 3.32Å; Q138-K141 PolarHBondContact O-N 3.22Å; F139-K141 PolarHBondContact O-N 2.88Å
142	V	63.5	Low	82.1	Confident	65 Å²	65	36.5 Å²	36.5	39%	0.394	18%	0.181	S	C	.	.	H	α-helix	trans	-107.1	-12.7	-171.7	-167.4	0	0	0	0	111.9	Q138 F139 I144 A145 F217	Q138-V142 PolarHBondContact O-N 3.02Å; F139-V142 PolarHBondContact O-N 3.26Å; F139-V142 VanDerWaalsContact O-N 3.13Å; V142-I144 PolarHBondContact O-N 2.81Å; V142-A145 HydrophobicContact CB-CB 4.09Å; V142-A145 HydrophobicContact CG1-CB 3.46Å; V142-A145 VanDerWaalsContact CG1-CB 3.46Å; V142-F217 HydrophobicContact CG1-CE1 3.67Å; V142-F217 HydrophobicContact CG1-CZ 3.56Å
143	G	58.9	Low	82.2	Confident	2 Å²	2	35.4 Å²	35.4	2%	0.021	17%	0.174	C	C	.	.	S	Bend	trans	74.6	-28	171.5	0	0	0	0	0	115.8	F139	F139-G143 WeakPolarHBondContact CE2-O 3.49Å; F139-G143 VanDerWaalsContact CZ-O 3.24Å; F139-G143 WeakPolarHBondContact CZ-O 3.1Å; F139-G143 WeakPolarHBondContact O-CA 3.41Å; F139-G143 PolarHBondContact O-N 2.81Å
144	I	62.4	Low	82.3	Confident	8 Å²	8	38.8 Å²	38.8	4%	0.041	19%	0.188	C	C	.	.	S	Bend	trans	-144.6	-28.7	-170.2	-60.7	166.7	0	0	0	112.9	V142 E146 N214 F217 V221 Q258	V142-I144 PolarHBondContact O-N 2.81Å; I144-E146 PolarHBondContact O-N 3.46Å; I144-N214 HydrophobicContact CD1-CB 4.28Å; I144-N214 WeakPolarHBondContact CD1-ND2 3.29Å; I144-F217 HydrophobicContact CB-CD2 3.62Å; I144-F217 HydrophobicContact CB-CE2 3.7Å; I144-F217 HydrophobicContact CB-CG 4.49Å; I144-F217 HydrophobicContact CD1-CD2 4.25Å; I144-F217 HydrophobicContact CD1-CE2 4.16Å; I144-F217 HydrophobicContact CG1-CD2 4.5Å; I144-F217 HydrophobicContact CG1-CE2 4.38Å; I144-F217 HydrophobicContact CG2-CB 4.47Å; I144-F217 HydrophobicContact CG2-CD2 3.65Å; I144-F217 HydrophobicContact CG2-CE2 4.28Å; I144-F217 HydrophobicContact CG2-CG 4.29Å; I144-V221 HydrophobicContact CG2-CG2 3.83Å; I144-Q258 VanDerWaalsContact CG1-OE1 3.29Å
145	A	67.1	Low	82.3	Confident	17 Å²	17	42.2 Å²	42.2	14%	0.14	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.7	-163.8	0	0	0	0	0	115.5	V142 F217 I220 F277	V142-A145 HydrophobicContact CB-CB 4.09Å; V142-A145 HydrophobicContact CG1-CB 3.46Å; V142-A145 VanDerWaalsContact CG1-CB 3.46Å; A145-F217 HydrophobicContact CB-CD1 3.88Å; A145-F217 HydrophobicContact CB-CE1 3.72Å; A145-F217 HydrophobicContact CB-CZ 4.4Å; A145-I220 VanDerWaalsContact C-CD1 3.49Å; A145-I220 HydrophobicContact CB-CD1 3.69Å; A145-I220 WeakPolarHBondContact O-CD1 3.34Å; A145-F277 WeakPolarHBondContact O-CZ 3.26Å
146	E	83.1	Confident	82.5	Confident	63 Å²	63	45.4 Å²	45.4	29%	0.294	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-143.3	52.3	-176.3	-58.9	-170.7	-167.6	0	0	110.2	N136 I144 I148 F277	N136-E146 HydrophobicContact CB-CB 4.49Å; N136-E146 WeakPolarHBondContact CB-OE2 3.49Å; N136-E146 VanDerWaalsContact CG-OE2 3.28Å; N136-E146 PolarHBondContact ND2-OE2 3.23Å; I144-E146 PolarHBondContact O-N 3.46Å; E146-I148 PolarHBondContact O-N 3.4Å; E146-F277 HydrophobicContact CB-CE1 4.21Å; E146-F277 HydrophobicContact CG-CE1 4.03Å; E146-F277 HydrophobicContact CG-CZ 4.45Å
147	D	91.5	Very high	83.1	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.011	21%	0.214	C	C	.	.			trans	-76	69.1	178.1	-163.7	17.5	0	0	0	111.7	A90 A91 H92 F139 S257 T272	A90-D147 WeakPolarHBondContact CB-OD1 3.46Å; A91-D147 PolarHBondContact N-OD1 2.72Å; H92-D147 IonicContact CE1-OD2 2.85Å; H92-D147 PolarHBondContact CE1-OD2 3.39Å; H92-D147 IonicContact CG-OD1 3.41Å; H92-D147 IonicContact CG-OD2 2.95Å; H92-D147 PolarHBondContact N-OD1 2.77Å; H92-D147 VanDerWaalsContact ND1-CG 3.34Å; H92-D147 IonicContact ND1-OD1 3.89Å; H92-D147 PolarHBondContact ND1-OD1 3.41Å; H92-D147 IonicContact ND1-OD2 3.65Å; H92-D147 PolarHBondContact ND1-OD2 2.77Å; F139-D147 HydrophobicContact CD2-CB 4.13Å; F139-D147 HydrophobicContact CE2-CB 3.57Å; F139-D147 HydrophobicContact CZ-CB 4.31Å; D147-S257 WeakPolarHBondContact OD2-CA 3.14Å; D147-S257 VanDerWaalsContact OD2-CB 3.22Å; D147-S257 WeakPolarHBondContact OD2-CB 3.47Å; D147-S257 PolarHBondContact OD2-OG 2.88Å; D147-T272 PolarHBondContact O-OG1 2.85Å
148	I	94.6	Very high	83.9	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.208	C	C	.	.			trans	-147.1	138.3	-177.5	-172.6	169.9	0	0	0	110.5	L88 T89 E146 I255 T272 L274 F277 W280 L281	L88-I148 HydrophobicContact CD1-CD1 3.92Å; L88-I148 HydrophobicContact CD1-CG1 3.77Å; T89-I148 WeakPolarHBondContact O-CA 3.2Å; E146-I148 PolarHBondContact O-N 3.4Å; I148-I255 HydrophobicContact CB-CD1 4.14Å; I148-I255 HydrophobicContact CD1-CD1 3.86Å; I148-I255 HydrophobicContact CG1-CD1 3.61Å; I148-T272 HydrophobicContact CB-CG2 4.4Å; I148-L274 HydrophobicContact CD1-CD1 3.81Å; I148-F277 HydrophobicContact CD1-CB 3.64Å; I148-F277 HydrophobicContact CD1-CD1 4.42Å; I148-F277 HydrophobicContact CD1-CG 3.99Å; I148-F277 HydrophobicContact CG2-CD1 3.79Å; I148-F277 HydrophobicContact CG2-CE1 3.99Å; I148-F277 HydrophobicContact CG2-CG 4.31Å; I148-W280 HydrophobicContact CB-CH2 4.47Å; I148-W280 HydrophobicContact CB-CZ3 4.36Å; I148-W280 HydrophobicContact CD1-CE3 3.74Å; I148-W280 HydrophobicContact CD1-CH2 4.45Å; I148-W280 HydrophobicContact CD1-CZ3 3.56Å; I148-W280 HydrophobicContact CG1-CE3 4.17Å; I148-W280 HydrophobicContact CG1-CH2 3.99Å; I148-W280 HydrophobicContact CG1-CZ3 3.55Å; I148-W280 HydrophobicContact CG2-CD2 4.32Å; I148-W280 HydrophobicContact CG2-CE3 4.15Å; I148-W280 HydrophobicContact CG2-CH2 3.98Å; I148-W280 HydrophobicContact CG2-CZ2 4.12Å; I148-W280 HydrophobicContact CG2-CZ3 3.98Å; I148-L281 HydrophobicContact CD1-CD2 4.24Å; I148-L281 HydrophobicContact CD1-CG 4.49Å
149	A	95.7	Very high	84.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	151.3	178.8	0	0	0	0	0	111.9	T89 F94 F134 F135	T89-A149 HydrophobicContact CG2-CB 3.9Å; T89-A149 PolarHBondContact N-O 3.46Å; T89-A149 PolarHBondContact O-N 2.96Å; F94-A149 HydrophobicContact CD2-CB 3.95Å; F94-A149 HydrophobicContact CE2-CB 3.68Å; F134-A149 CarbonylContact O-C 3.55Å; F134-A149 WeakPolarHBondContact O-CA 3.48Å; F135-A149 HydrophobicContact CB-CB 3.77Å; F135-A149 HydrophobicContact CD1-CB 4.29Å
150	L	97.3	Very high	85.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136	169.1	-69.7	174.9	0	0	0	110	I76 V87 L88 L133 F134 W280 L281 V285 F288	I76-L150 HydrophobicContact CD1-CD2 3.65Å; V87-L150 WeakPolarHBondContact O-CA 3.42Å; L88-L150 HydrophobicContact CD1-CD2 4.06Å; L133-L150 WeakPolarHBondContact CA-O 3.29Å; F134-L150 HydrophobicContact CB-CB 4.33Å; F134-L150 PolarHBondContact N-O 2.93Å; F134-L150 PolarHBondContact O-N 2.82Å; L150-W280 HydrophobicContact CD1-CZ3 4.37Å; L150-W280 HydrophobicContact CG-CH2 4.21Å; L150-W280 HydrophobicContact CG-CZ3 4.15Å; L150-L281 HydrophobicContact CD1-CD2 4.16Å; L150-L281 HydrophobicContact CD2-CD2 3.77Å; L150-L281 HydrophobicContact CG-CD2 4.12Å; L150-V285 HydrophobicContact CD1-CG2 3.72Å; L150-F288 HydrophobicContact CB-CE2 4.07Å; L150-F288 HydrophobicContact CB-CZ 3.99Å; L150-F288 HydrophobicContact CD1-CE2 4.22Å
151	V	97.6	Very high	87.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.2	167.5	-174.2	0	0	0	0	107.5	L57 V87 T89 F94 V108 A130 L133 L153	L57-V151 HydrophobicContact CD1-CG2 4.44Å; V87-V151 HydrophobicContact CB-CB 4.16Å; V87-V151 PolarHBondContact N-O 3.32Å; V87-V151 PolarHBondContact O-N 2.91Å; T89-V151 HydrophobicContact CG2-CG2 4.15Å; F94-V151 HydrophobicContact CE2-CG2 4.17Å; F94-V151 HydrophobicContact CZ-CG2 3.6Å; V108-V151 HydrophobicContact CG1-CG1 4.44Å; A130-V151 HydrophobicContact CB-CG1 3.54Å; L133-V151 HydrophobicContact CD2-CB 4.11Å; L133-V151 HydrophobicContact CD2-CG1 3.85Å; L133-V151 HydrophobicContact CD2-CG2 3.7Å; V151-L153 HydrophobicContact CG1-CD2 4.13Å
152	Q	97.5	Very high	88.8	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127.1	164.8	-169.4	-174.6	25.4	0	0	108.6	D85 A130 K131 S132 F288 S290	D85-Q152 CarbonylContact O-C 3.54Å; D85-Q152 WeakPolarHBondContact O-CA 3.35Å; D85-Q152 WeakPolarHBondContact OD2-CG 3.5Å; D85-Q152 PolarHBondContact OD2-NE2 3.13Å; A130-Q152 CarbonylContact C-O 3.42Å; A130-Q152 WeakPolarHBondContact CA-O 3.48Å; K131-Q152 PolarHBondContact N-O 3.15Å; S132-Q152 PolarHBondContact N-O 3.09Å; S132-Q152 PolarHBondContact O-N 2.91Å; S132-Q152 VanDerWaalsContact OG-CB 3.3Å; S132-Q152 WeakPolarHBondContact OG-CB 3.48Å; S132-Q152 PolarHBondContact OG-OE1 3.27Å; S132-Q152 VanDerWaalsContact OG-OE1 3.12Å; Q152-F288 HydrophobicContact CB-CD1 4.2Å; Q152-F288 HydrophobicContact CB-CD2 4.24Å; Q152-F288 HydrophobicContact CB-CE1 4.15Å; Q152-F288 HydrophobicContact CB-CE2 4.18Å; Q152-F288 HydrophobicContact CB-CG 4.24Å; Q152-F288 HydrophobicContact CB-CZ 4.13Å; Q152-S290 PolarHBondContact NE2-OG 2.87Å
153	L	97.9	Very high	90.3	Very high	2 Å²	2	32 Å²	32	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	153.6	176.2	-56.7	178.3	0	0	0	111.1	D85 V87 A110 L128 K129 V151 Q155 V157	D85-L153 HydrophobicContact CB-CB 4.34Å; D85-L153 PolarHBondContact O-N 3.49Å; V87-L153 HydrophobicContact CG2-CD1 3.92Å; V87-L153 HydrophobicContact CG2-CD2 4.2Å; V87-L153 HydrophobicContact CG2-CG 4.15Å; A110-L153 HydrophobicContact CB-CD1 4.43Å; A110-L153 HydrophobicContact CB-CD2 3.55Å; L128-L153 HydrophobicContact CB-CB 4.38Å; L128-L153 HydrophobicContact CB-CD1 4.11Å; L128-L153 HydrophobicContact CB-CD2 4.18Å; L128-L153 HydrophobicContact CB-CG 4.45Å; L128-L153 HydrophobicContact CD1-CD1 4.38Å; L128-L153 HydrophobicContact CD2-CB 4.47Å; L128-L153 HydrophobicContact CD2-CD1 4.12Å; L128-L153 HydrophobicContact CG-CD1 4.44Å; K129-L153 WeakPolarHBondContact O-CA 3.37Å; V151-L153 HydrophobicContact CG1-CD2 4.13Å; L153-Q155 PolarHBondContact O-N 2.58Å; L153-V157 HydrophobicContact CD1-CG2 3.72Å
154	E	96.5	Very high	92.1	Very high	103 Å²	103	33.7 Å²	33.7	48%	0.481	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	-25.7	175.6	-73.3	-178	174.2	0	0	112.9	K129 K131	K129-E154 HydrophobicContact CB-CG 4.32Å; K129-E154 WeakPolarHBondContact CD-OE1 3.09Å; K129-E154 IonicContact NZ-OE1 3.1Å; K129-E154 PolarHBondContact O-N 2.89Å; K131-E154 HydrophobicContact CB-CB 4.5Å; K131-E154 HydrophobicContact CB-CG 3.84Å
155	Q	95.9	Very high	93.7	Very high	132 Å²	132	33.3 Å²	33.3	62%	0.617	17%	0.171	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	149.5	-178.3	-53	173.7	-8.7	0	0	110.7	L128 L153	L128-Q155 HydrophobicContact CD2-CB 3.97Å; L128-Q155 WeakPolarHBondContact CD2-O 3.1Å; L153-Q155 PolarHBondContact O-N 2.58Å
156	L	95.8	Very high	95.2	Very high	95 Å²	95	32.6 Å²	32.6	50%	0.497	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	130.1	173.2	-167.1	78.8	0	0	0	109.8	P158	L156-P158 WeakPolarHBondContact O-CD 3.4Å
157	V	97	Very high	95.9	Very high	2 Å²	2	30 Å²	30	1%	0.012	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	110.5	167.5	-177.7	0	0	0	0	107.7	L75 G83 T84 V112 L128 L153 T163	L75-V157 HydrophobicContact CD1-CG1 4.09Å; L75-V157 HydrophobicContact CD2-CB 4.48Å; L75-V157 HydrophobicContact CD2-CG2 4.25Å; G83-V157 CarbonylContact C-O 3.49Å; G83-V157 WeakPolarHBondContact CA-O 3.47Å; T84-V157 PolarHBondContact N-O 3.21Å; T84-V157 WeakPolarHBondContact O-CB 3.3Å; T84-V157 PolarHBondContact O-N 2.95Å; V112-V157 HydrophobicContact CG2-CG1 4Å; V112-V157 HydrophobicContact CG2-CG2 4.22Å; L128-V157 HydrophobicContact CD1-CG2 3.96Å; L128-V157 HydrophobicContact CD2-CG2 3.77Å; L153-V157 HydrophobicContact CD1-CG2 3.72Å; V157-T163 HydrophobicContact CG1-CG2 3.78Å
158	P	95.6	Very high	96.2	Very high	68 Å²	68	32 Å²	32	44%	0.442	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	149.5	177.3	29.9	-34.7	0	0	0	109.9	L156 T163	L156-P158 WeakPolarHBondContact O-CD 3.4Å; P158-T163 PolarHBondContact O-OG1 2.99Å
159	Y	95.2	Very high	96.4	Very high	12 Å²	12	32.1 Å²	32.1	5%	0.047	17%	0.165	C	C	.	.			trans	-79.8	128.6	174.7	-59.7	-31.9	0	0	0	111.7	W21 Q77 G81 N82 G83 T84 T163 P165	W21-Y159 HydrophobicContact CB-CD2 3.4Å; W21-Y159 VanDerWaalsContact CB-CD2 3.4Å; W21-Y159 HydrophobicContact CB-CE2 4.06Å; W21-Y159 HydrophobicContact CB-CG 4.26Å; W21-Y159 HydrophobicContact CD2-CD2 4.35Å; W21-Y159 HydrophobicContact CD2-CG 4.49Å; W21-Y159 AromaticContact CG-CD2 3.67Å; W21-Y159 HydrophobicContact CG-CD2 3.67Å; W21-Y159 HydrophobicContact CG-CG 4.26Å; Q77-Y159 WeakPolarHBondContact CB-OH 3.29Å; Q77-Y159 WeakPolarHBondContact CG-OH 3.27Å; Q77-Y159 PolarHBondContact NE2-OH 3.1Å; G81-Y159 VanDerWaalsContact O-CE2 3.3Å; G81-Y159 WeakPolarHBondContact O-CE2 3.19Å; N82-Y159 PolarHBondContact O-N 3.16Å; G83-Y159 PolarHBondContact O-OH 3.28Å; T84-Y159 WeakPolarHBondContact CB-OH 3.47Å; T84-Y159 HydrophobicContact CG2-CE1 3.9Å; Y159-T163 CarbonylContact C-O 3.51Å; Y159-T163 WeakPolarHBondContact CA-O 3.34Å; Y159-P165 HydrophobicContact CE1-CB 4.42Å; Y159-P165 VanDerWaalsContact CE1-CD 3.46Å; Y159-P165 HydrophobicContact CE1-CG 3.95Å; Y159-P165 HydrophobicContact CE2-CG 4.21Å
160	T	93.8	Very high	96.4	Very high	46 Å²	46	39 Å²	39	28%	0.282	20%	0.197	S	C	.	.			trans	-136.3	-167.6	176.5	78.6	0	0	0	0	109.5	E162 T163 R164	T160-E162 PolarHBondContact O-N 2.81Å; T160-E162 PolarHBondContact OG1-N 2.57Å; T160-E162 PolarHBondContact OG1-OE2 3.5Å; T160-T163 PolarHBondContact N-O 3.01Å; T160-T163 PolarHBondContact OG1-N 3.19Å; T160-T163 PolarHBondContact OG1-OG1 3.17Å; T160-R164 WeakPolarHBondContact O-CD 3.17Å; T160-R164 WeakPolarHBondContact O-CG 3.01Å; T160-R164 PolarHBondContact O-NE 2.69Å
161	D	92.2	Very high	96.4	Very high	75 Å²	75	44.8 Å²	44.8	40%	0.401	22%	0.222	S	C	.	.	S	Bend	trans	-71.7	-16.3	170	-73.3	-9	0	0	0	113.2	K27 R164	K27-D161 HydrophobicContact CD-CB 4.07Å; K27-D161 HydrophobicContact CG-CB 4.42Å; D161-R164 IonicContact OD1-CZ 3.58Å; D161-R164 IonicContact OD1-NH2 3.53Å; D161-R164 PolarHBondContact OD1-NH2 2.83Å
162	E	95	Very high	96.3	Very high	39 Å²	39	48.7 Å²	48.7	18%	0.182	24%	0.243	C	C	.	.	S	Bend	trans	-110	-15.3	-175.6	-60.2	78.1	-158.4	0	0	113.5	K27 H49 P52 T124 T160	K27-E162 IonicContact NZ-OE1 2.73Å; K27-E162 PolarHBondContact NZ-OE1 2.73Å; H49-E162 HydrophobicContact CB-CB 4.24Å; H49-E162 HydrophobicContact CB-CG 3.7Å; P52-E162 VanDerWaalsContact CA-O 3.24Å; P52-E162 WeakPolarHBondContact CA-O 3.41Å; P52-E162 VanDerWaalsContact CB-C 3.46Å; P52-E162 WeakPolarHBondContact CB-O 3.22Å; T124-E162 HydrophobicContact CG2-CB 4.29Å; T124-E162 HydrophobicContact CG2-CG 3.69Å; T160-E162 PolarHBondContact O-N 2.81Å; T160-E162 PolarHBondContact OG1-N 2.57Å; T160-E162 PolarHBondContact OG1-OE2 3.5Å
163	T	96.2	Very high	96.3	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.018	26%	0.255	C	S	.	.			trans	-131.3	109.5	176.7	48.2	0	0	0	0	110.2	P52 L75 V112 V157 P158 Y159 T160	P52-T163 CarbonylContact O-C 3.52Å; P52-T163 VanDerWaalsContact O-CA 3.27Å; P52-T163 WeakPolarHBondContact O-CA 3.3Å; L75-T163 HydrophobicContact CD1-CG2 4.47Å; V112-T163 HydrophobicContact CB-CG2 4.28Å; V112-T163 HydrophobicContact CG2-CG2 4.04Å; V157-T163 HydrophobicContact CG1-CG2 3.78Å; P158-T163 PolarHBondContact O-OG1 2.99Å; Y159-T163 CarbonylContact C-O 3.51Å; Y159-T163 WeakPolarHBondContact CA-O 3.34Å; T160-T163 PolarHBondContact N-O 3.01Å; T160-T163 PolarHBondContact OG1-N 3.19Å; T160-T163 PolarHBondContact OG1-OG1 3.17Å
164	R	95.7	Very high	96.1	Very high	38 Å²	38	60.9 Å²	60.9	14%	0.143	29%	0.291	C	S	.	.			trans	-148.9	152.7	179.1	-62.7	-172.5	-175.6	-174.2	-1.2	109.9	I25 P52 W53 T160 D161	I25-R164 VanDerWaalsContact CG2-NH1 3.25Å; P52-R164 CarbonylContact C-O 3.49Å; P52-R164 HydrophobicContact CB-CB 3.98Å; P52-R164 HydrophobicContact CB-CG 4.15Å; P52-R164 HydrophobicContact CG-CB 3.88Å; P52-R164 HydrophobicContact CG-CG 4.21Å; P52-R164 PolarHBondContact O-N 3.36Å; W53-R164 WeakPolarHBondContact CA-O 3.06Å; W53-R164 VanDerWaalsContact CB-O 3.31Å; W53-R164 WeakPolarHBondContact CB-O 3.32Å; W53-R164 PolarHBondContact N-O 2.04Å; T160-R164 WeakPolarHBondContact O-CD 3.17Å; T160-R164 WeakPolarHBondContact O-CG 3.01Å; T160-R164 PolarHBondContact O-NE 2.69Å; D161-R164 IonicContact OD1-CZ 3.58Å; D161-R164 IonicContact OD1-NH2 3.53Å; D161-R164 PolarHBondContact OD1-NH2 2.83Å
165	P	97.4	Very high	95.9	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-77.9	146.6	178.8	33.4	-31.1	0	0	0	110.4	C23 G24 L75 Q77 Y159	C23-P165 CarbonylContact C-O 3.55Å; C23-P165 WeakPolarHBondContact CA-O 3.2Å; C23-P165 HydrophobicContact CB-CG 4.25Å; G24-P165 PolarHBondContact N-O 3.46Å; L75-P165 VanDerWaalsContact O-CA 3.29Å; L75-P165 WeakPolarHBondContact O-CA 3.2Å; Q77-P165 HydrophobicContact CB-CB 3.73Å; Q77-P165 HydrophobicContact CB-CG 3.84Å; Y159-P165 HydrophobicContact CE1-CB 4.42Å; Y159-P165 VanDerWaalsContact CE1-CD 3.46Å; Y159-P165 HydrophobicContact CE1-CG 3.95Å; Y159-P165 HydrophobicContact CE2-CG 4.21Å
166	I	98	Very high	95.9	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-78.4	151.1	166.2	-166.2	158	0	0	0	109.9	W53 T74 L75 I76 F243 I250 Q252	W53-I166 HydrophobicContact CB-CB 3.81Å; W53-I166 HydrophobicContact CB-CG2 4.41Å; W53-I166 HydrophobicContact CD2-CB 3.94Å; W53-I166 HydrophobicContact CD2-CD1 4.02Å; W53-I166 HydrophobicContact CD2-CG1 4.17Å; W53-I166 HydrophobicContact CE3-CB 4.25Å; W53-I166 HydrophobicContact CE3-CG1 4.47Å; W53-I166 HydrophobicContact CG-CB 3.74Å; W53-I166 HydrophobicContact CG-CD1 4.08Å; W53-I166 HydrophobicContact CG-CG1 4.32Å; W53-I166 HydrophobicContact CZ2-CD1 4.42Å; T74-I166 HydrophobicContact CG2-CG2 4.47Å; L75-I166 PolarHBondContact O-N 2.95Å; I76-I166 HydrophobicContact CG2-CG2 4.23Å; I166-F243 HydrophobicContact CD1-CB 3.61Å; I166-F243 HydrophobicContact CD1-CD1 4.37Å; I166-F243 HydrophobicContact CD1-CG 4.08Å; I166-I250 HydrophobicContact CD1-CG2 3.88Å; I166-I250 HydrophobicContact CG1-CG2 4.28Å; I166-Q252 HydrophobicContact CD1-CB 3.76Å; I166-Q252 HydrophobicContact CG1-CB 4.07Å; I166-Q252 HydrophobicContact CG2-CB 3.98Å
167	C	97.8	Very high	95.9	Very high	8 Å²	8	57.4 Å²	57.4	5%	0.054	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-71.9	141.7	172.3	-64.3	0	0	0	0	110.4	C23 I250 V251 Q252	C23-C167 HydrophobicContact CB-CB 3.96Å; C23-C167 WeakPolarHBondContact CB-SG 3.47Å; C23-C167 PolarHBondContact O-SG 3Å; C23-C167 WeakPolarHBondContact SG-CA 3.22Å; C23-C167 WeakPolarHBondContact SG-CB 3.4Å; C23-C167 CovalentContact SG-SG 2.05Å; C23-C167 PolarHBondContact SG-SG 3.14Å; C167-I250 WeakPolarHBondContact CB-O 3.41Å; C167-I250 PolarHBondContact N-O 2.03Å; C167-V251 HydrophobicContact CB-CB 4.44Å; C167-V251 HydrophobicContact CB-CG2 3.95Å; C167-V251 WeakPolarHBondContact O-CA 3.14Å; C167-Q252 PolarHBondContact O-N 3.42Å
168	L	97.9	Very high	95.8	Very high	43 Å²	43	58.8 Å²	58.8	23%	0.225	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-87.5	152.7	169.3	-64.2	177.5	0	0	0	109.4	I76 M78 L88 L274 L281	I76-L168 HydrophobicContact CB-CD2 4.45Å; I76-L168 HydrophobicContact CG2-CD2 3.89Å; M78-L168 HydrophobicContact SD-CD1 3.56Å; M78-L168 VanDerWaalsContact SD-CD1 3.56Å; L88-L168 HydrophobicContact CD2-CD2 4.34Å; L168-L274 HydrophobicContact CD2-CD2 3.78Å; L168-L281 HydrophobicContact CD1-CD1 4.11Å; L168-L281 HydrophobicContact CD2-CD1 4.39Å
169	P	97.6	Very high	95.8	Very high	5 Å²	5	59 Å²	59	3%	0.032	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-76	159.8	175.8	33.2	-28.6	0	0	0	109.5	E173 V251 Q252 Y253 L274 V278	P169-E173 WeakPolarHBondContact CA-OE2 2.97Å; P169-E173 HydrophobicContact CB-CB 4.43Å; P169-E173 WeakPolarHBondContact CB-OE2 3.02Å; P169-V251 HydrophobicContact CB-CG1 4.01Å; P169-Q252 WeakPolarHBondContact CD-O 3.32Å; P169-Q252 WeakPolarHBondContact CG-O 3.4Å; P169-Y253 HydrophobicContact CB-CD1 3.84Å; P169-Y253 HydrophobicContact CB-CE1 3.74Å; P169-Y253 HydrophobicContact CG-CD1 4.48Å; P169-L274 HydrophobicContact CG-CB 4.12Å; P169-L274 HydrophobicContact CG-CD2 4.49Å; P169-L274 HydrophobicContact CG-CG 4.14Å; P169-V278 WeakPolarHBondContact O-CG2 3.47Å
170	E	96.9	Very high	95.8	Very high	145 Å²	145	62.4 Å²	62.4	68%	0.678	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-66.7	155.6	169.8	-66.3	-62.2	155.4	0	0	110.4	D172 E173 S275	E170-D172 PolarHBondContact O-N 3.13Å; E170-E173 HydrophobicContact CB-CB 4.09Å; E170-E173 PolarHBondContact N-OE2 2.88Å; E170-E173 WeakPolarHBondContact O-CB 3.04Å; E170-E173 PolarHBondContact O-N 2.85Å; E170-E173 VanDerWaalsContact O-N 3.08Å; E170-S275 WeakPolarHBondContact O-CB 3.38Å
171	K	96.6	Very high	95.8	Very high	121 Å²	121	60.2 Å²	60.2	53%	0.526	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	130.1	175.9	178.4	179	177.3	167.1	0	109.9	E173 V278 T279	K171-E173 PolarHBondContact O-N 3.01Å; K171-E173 VanDerWaalsContact O-N 3.1Å; K171-V278 HydrophobicContact CB-CB 4.11Å; K171-V278 HydrophobicContact CB-CG1 4.19Å; K171-T279 WeakPolarHBondContact CD-OG1 3.48Å; K171-T279 WeakPolarHBondContact CE-OG1 3.38Å; K171-T279 PolarHBondContact NZ-OG1 3Å
172	D	96.1	Very high	95.9	Very high	81 Å²	81	57.3 Å²	57.3	43%	0.433	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	16.6	-179.6	-64.7	-59	0	0	0	114.6	E170 R174 S275 K276	E170-D172 PolarHBondContact O-N 3.13Å; D172-R174 PolarHBondContact O-N 3.17Å; D172-S275 PolarHBondContact N-O 2.66Å; D172-K276 WeakPolarHBondContact OD1-CD 3.35Å; D172-K276 IonicContact OD1-NZ 3.86Å; D172-K276 PolarHBondContact OD1-NZ 2.84Å
173	E	96.5	Very high	95.8	Very high	56 Å²	56	55.5 Å²	55.5	26%	0.262	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-57.1	131	174.9	-167.1	-178.5	163.4	0	0	110.8	P169 E170 K171 Y253 S275	P169-E173 WeakPolarHBondContact CA-OE2 2.97Å; P169-E173 HydrophobicContact CB-CB 4.43Å; P169-E173 WeakPolarHBondContact CB-OE2 3.02Å; E170-E173 HydrophobicContact CB-CB 4.09Å; E170-E173 PolarHBondContact N-OE2 2.88Å; E170-E173 WeakPolarHBondContact O-CB 3.04Å; E170-E173 PolarHBondContact O-N 2.85Å; E170-E173 VanDerWaalsContact O-N 3.08Å; K171-E173 PolarHBondContact O-N 3.01Å; K171-E173 VanDerWaalsContact O-N 3.1Å; E173-Y253 VanDerWaalsContact CD-OH 3.28Å; E173-Y253 HydrophobicContact CG-CE1 4.16Å; E173-Y253 PolarHBondContact OE1-OH 3.23Å; E173-S275 WeakPolarHBondContact O-CB 3.49Å; E173-S275 PolarHBondContact O-OG 2.63Å
174	R	93.7	Very high	95.7	Very high	203 Å²	203	55.5 Å²	55.5	77%	0.766	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-83.5	122.1	-178.7	-176.9	-179.1	174.8	103.4	0.3	109.9	D172	D172-R174 PolarHBondContact O-N 3.17Å
175	L	94.3	Very high	95.6	Very high	34 Å²	34	53.9 Å²	53.9	18%	0.178	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-92.7	119.2	166.1	-170.1	66.5	0	0	0	109.3	K179 V206 F222 Y253	L175-K179 HydrophobicContact CD1-CB 4.29Å; L175-K179 HydrophobicContact CD1-CG 3.89Å; L175-V206 HydrophobicContact CD1-CG2 4.4Å; L175-V206 HydrophobicContact CD2-CG1 4.23Å; L175-V206 HydrophobicContact CD2-CG2 3.46Å; L175-V206 VanDerWaalsContact CD2-CG2 3.46Å; L175-V206 HydrophobicContact CG-CG1 4.32Å; L175-V206 HydrophobicContact CG-CG2 3.78Å; L175-F222 HydrophobicContact CD2-CD2 4.18Å; L175-F222 HydrophobicContact CD2-CE2 3.72Å; L175-F222 HydrophobicContact CD2-CZ 4.07Å; L175-Y253 HydrophobicContact CB-CD1 4.17Å; L175-Y253 HydrophobicContact CD1-CD1 3.98Å; L175-Y253 HydrophobicContact CD1-CD2 3.91Å; L175-Y253 HydrophobicContact CD1-CE1 4.16Å; L175-Y253 HydrophobicContact CD1-CE2 4.06Å; L175-Y253 HydrophobicContact CD1-CG 3.84Å; L175-Y253 HydrophobicContact CD2-CD1 4.45Å; L175-Y253 HydrophobicContact CD2-CG 4.11Å; L175-Y253 HydrophobicContact CG-CD1 4.43Å; L175-Y253 HydrophobicContact CG-CG 4.42Å
176	E	95.4	Very high	95.3	Very high	136 Å²	136	53.9 Å²	53.9	64%	0.636	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-76.5	140.8	-176.2	-63.7	-176.9	163	0	0	112.4	G178 K179 V206	E176-G178 PolarHBondContact O-N 3.41Å; E176-K179 WeakPolarHBondContact O-CB 3.34Å; E176-K179 PolarHBondContact O-N 2.75Å; E176-K179 VanDerWaalsContact O-N 3.14Å; E176-V206 WeakPolarHBondContact O-CB 3.5Å
177	V	95.7	Very high	94.5	Very high	88 Å²	88	53.8 Å²	53.8	53%	0.533	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	134.7	168.7	176.4	0	0	0	0	108.9	A208	V177-A208 HydrophobicContact CG1-CB 4.32Å; V177-A208 HydrophobicContact CG2-CB 4.32Å
178	G	95.5	Very high	93.3	Very high	31 Å²	31	55.3 Å²	55.3	32%	0.32	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	91	-10.3	-177.5	0	0	0	0	0	114.7	E176 D180 K205 V206	E176-G178 PolarHBondContact O-N 3.41Å; G178-D180 PolarHBondContact O-N 2.76Å; G178-K205 WeakPolarHBondContact O-CG 3.5Å; G178-K205 PolarHBondContact O-NZ 2.97Å; G178-V206 PolarHBondContact N-O 3.04Å
179	K	95.6	Very high	91.7	Very high	71 Å²	71	54 Å²	54	31%	0.309	26%	0.262	S	S	.	.			trans	-57.2	130.7	175.4	-179.4	71.2	178.7	-175.3	0	110.3	L175 E176 K205 V206 C244 P245	L175-K179 HydrophobicContact CD1-CB 4.29Å; L175-K179 HydrophobicContact CD1-CG 3.89Å; E176-K179 WeakPolarHBondContact O-CB 3.34Å; E176-K179 PolarHBondContact O-N 2.75Å; E176-K179 VanDerWaalsContact O-N 3.14Å; K179-K205 WeakPolarHBondContact O-CA 3.22Å; K179-V206 HydrophobicContact CB-CB 4.35Å; K179-V206 HydrophobicContact CB-CG2 3.97Å; K179-V206 PolarHBondContact O-N 2.68Å; K179-C244 HydrophobicContact CG-CB 4.43Å; K179-P245 PolarHBondContact NZ-O 2.79Å
180	D	93.6	Very high	90.1	Very high	85 Å²	85	60.1 Å²	60.1	46%	0.455	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	123.7	173.7	-68.9	-53.1	0	0	0	110.6	G178 K205	G178-D180 PolarHBondContact O-N 2.76Å; D180-K205 VanDerWaalsContact CG-NZ 3.33Å; D180-K205 IonicContact OD1-NZ 3.97Å; D180-K205 PolarHBondContact OD1-NZ 3.43Å; D180-K205 IonicContact OD2-NZ 2.68Å; D180-K205 PolarHBondContact OD2-NZ 3.12Å
181	C	94.8	Very high	88.4	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	178.7	179.1	-57.1	0	0	0	0	109.4	D203 A204 L242 F243 C244	C181-D203 WeakPolarHBondContact O-CA 3.5Å; C181-A204 CarbonylContact C-O 3.51Å; C181-A204 WeakPolarHBondContact CA-O 3.47Å; C181-A204 WeakPolarHBondContact CB-O 3.37Å; C181-A204 PolarHBondContact N-O 2.88Å; C181-A204 PolarHBondContact O-N 2.82Å; C181-A204 VanDerWaalsContact O-O 3.09Å; C181-L242 HydrophobicContact CB-CD2 3.59Å; C181-L242 HydrophobicContact CB-CG 4.07Å; C181-F243 CarbonylContact C-O 3.6Å; C181-F243 WeakPolarHBondContact CA-O 3.45Å; C181-F243 WeakPolarHBondContact CB-O 3.49Å; C181-C244 HydrophobicContact CB-CB 4.02Å; C181-C244 WeakPolarHBondContact CB-SG 3.2Å; C181-C244 WeakPolarHBondContact SG-CB 3.46Å; C181-C244 CovalentContact SG-SG 2.04Å; C181-C244 PolarHBondContact SG-SG 3.26Å
182	F	93.7	Very high	87.2	Confident	13 Å²	13	58.8 Å²	58.8	6%	0.057	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	151.8	179.8	-56.2	-89.6	0	0	0	109.7	L30 P32 W44 M201 V202 D203 L242 F243 P245	L30-F182 HydrophobicContact CD1-CD2 4.23Å; L30-F182 HydrophobicContact CD1-CE2 4.43Å; P32-F182 HydrophobicContact CB-CZ 4.35Å; W44-F182 HydrophobicContact CH2-CD1 4.15Å; W44-F182 HydrophobicContact CH2-CE1 4Å; W44-F182 HydrophobicContact CZ2-CD1 4.22Å; W44-F182 HydrophobicContact CZ2-CE1 4.08Å; F182-M201 HydrophobicContact CB-CE 4.46Å; F182-M201 HydrophobicContact CB-CG 4.01Å; F182-M201 HydrophobicContact CB-SD 3.85Å; F182-M201 HydrophobicContact CD1-CG 4.08Å; F182-M201 HydrophobicContact CD1-SD 3.58Å; F182-M201 VanDerWaalsContact CD1-SD 3.58Å; F182-M201 HydrophobicContact CE1-SD 4.35Å; F182-M201 HydrophobicContact CG-CG 4.42Å; F182-M201 HydrophobicContact CG-SD 3.84Å; F182-V202 VanDerWaalsContact CA-O 3.29Å; F182-V202 WeakPolarHBondContact CA-O 3.5Å; F182-D203 HydrophobicContact CD1-CB 4.23Å; F182-D203 HydrophobicContact CE1-CB 4.15Å; F182-L242 CarbonylContact O-C 3.58Å; F182-L242 WeakPolarHBondContact O-CA 3.32Å; F182-F243 HydrophobicContact CB-CD2 4.12Å; F182-F243 HydrophobicContact CB-CE1 4.44Å; F182-F243 HydrophobicContact CB-CE2 3.6Å; F182-F243 HydrophobicContact CB-CZ 3.8Å; F182-F243 HydrophobicContact CD2-CE2 4.33Å; F182-F243 HydrophobicContact CG-CE2 4.3Å; F182-F243 PolarHBondContact N-O 2.85Å; F182-F243 PolarHBondContact O-N 3.4Å; F182-P245 HydrophobicContact CE2-CG 4.48Å
183	T	93.4	Very high	85.9	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	152.1	166.3	-176.6	0	0	0	0	109.1	M201 V202 A233 P241	T183-M201 CarbonylContact O-C 2.79Å; T183-M201 VanDerWaalsContact O-CA 3.3Å; T183-M201 WeakPolarHBondContact O-CA 3.3Å; T183-V202 HydrophobicContact CG2-CG1 3.34Å; T183-V202 PolarHBondContact N-O 3.02Å; T183-V202 PolarHBondContact O-N 2.78Å; T183-A233 HydrophobicContact CG2-CB 4.05Å; T183-P241 WeakPolarHBondContact CA-O 3.44Å; T183-P241 PolarHBondContact OG1-O 3.37Å
184	S	93.3	Very high	84.9	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	149.3	-176.8	50.7	0	0	0	0	113.4	L51 Q54 Q200 F243	L51-S184 VanDerWaalsContact CD1-CB 3.47Å; L51-S184 WeakPolarHBondContact CD1-OG 3.25Å; Q54-S184 PolarHBondContact NE2-O 3Å; Q54-S184 PolarHBondContact OE1-OG 3.02Å; S184-Q200 WeakPolarHBondContact CA-O 3.19Å; S184-Q200 WeakPolarHBondContact CB-O 3.49Å; S184-F243 WeakPolarHBondContact OG-CE1 3.42Å
185	G	93.7	Very high	84.2	Confident	3 Å²	3	51.1 Å²	51.1	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.3	-169.4	176.3	0	0	0	0	0	113.7	Q200 D237	G185-Q200 PolarHBondContact N-O 3.03Å; G185-Q200 PolarHBondContact O-N 2.92Å; G185-D237 VanDerWaalsContact C-OD1 3.23Å; G185-D237 WeakPolarHBondContact CA-OD1 3.34Å
186	W	92.2	Very high	83.9	Confident	1 Å²	1	50.2 Å²	50.2	0%	0.004	27%	0.265	C	S	.	.	S	Bend	trans	-110.2	17.1	-179	-65.8	-89.8	0	0	0	111.4	Q54 R56 I114 H115 N195 S196 D197 L199 D237	Q54-W186 HydrophobicContact CB-CH2 4.38Å; Q54-W186 HydrophobicContact CG-CH2 3.46Å; Q54-W186 VanDerWaalsContact CG-CH2 3.46Å; Q54-W186 HydrophobicContact CG-CZ3 3.51Å; R56-W186 HydrophobicContact CB-CE3 4.03Å; R56-W186 HydrophobicContact CB-CH2 4.22Å; R56-W186 HydrophobicContact CB-CZ3 3.69Å; R56-W186 HydrophobicContact CG-CE3 4.43Å; I114-W186 HydrophobicContact CD1-CH2 3.82Å; I114-W186 HydrophobicContact CD1-CZ2 3.6Å; I114-W186 HydrophobicContact CG1-CH2 3.8Å; I114-W186 HydrophobicContact CG1-CZ2 3.67Å; H115-W186 PolarHBondContact O-NE1 2.86Å; W186-N195 VanDerWaalsContact O-CB 3.29Å; W186-N195 WeakPolarHBondContact O-CB 3.1Å; W186-S196 WeakPolarHBondContact CB-O 3.45Å; W186-S196 PolarHBondContact O-N 2.65Å; W186-D197 VanDerWaalsContact CD1-O 3.26Å; W186-D197 PolarHBondContact NE1-O 2.88Å; W186-L199 HydrophobicContact CD2-CD1 3.99Å; W186-L199 HydrophobicContact CE3-CD1 4.07Å; W186-L199 HydrophobicContact CH2-CD1 3.92Å; W186-L199 HydrophobicContact CH2-CD2 4.45Å; W186-L199 HydrophobicContact CZ2-CB 3.85Å; W186-L199 HydrophobicContact CZ2-CD1 3.8Å; W186-L199 HydrophobicContact CZ2-CD2 4.23Å; W186-L199 HydrophobicContact CZ2-CG 4.17Å; W186-L199 HydrophobicContact CZ3-CD1 4.05Å; W186-D237 PolarHBondContact N-OD1 3.35Å
187	G	80.5	Confident	83.7	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.25	C	S	.	.			trans	-65.7	-175.6	-179.7	0	0	0	0	0	113.5	T189 S196 E235 D237	G187-T189 PolarHBondContact O-N 3.42Å; G187-S196 PolarHBondContact O-N 3.39Å; G187-E235 CarbonylContact C-O 3.53Å; G187-E235 WeakPolarHBondContact CA-O 3.35Å; G187-D237 VanDerWaalsContact CA-OD1 3.27Å; G187-D237 WeakPolarHBondContact CA-OD1 3.29Å; G187-D237 PolarHBondContact N-OD1 3.35Å
188	R	72.6	Confident	83.6	Confident	41 Å²	41	43 Å²	43	16%	0.155	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-64.6	133.7	-176.9	-62.4	-174.6	176.1	163.3	5.3	110.8	K190 E191 G193 N195 C234 E235	R188-K190 VanDerWaalsContact CB-O 3.25Å; R188-K190 WeakPolarHBondContact CB-O 3.18Å; R188-K190 PolarHBondContact O-N 3.02Å; R188-E191 PolarHBondContact NH1-O 3.14Å; R188-G193 VanDerWaalsContact CD-O 3.24Å; R188-G193 WeakPolarHBondContact CD-O 3.49Å; R188-G193 VanDerWaalsContact CG-O 3.26Å; R188-G193 WeakPolarHBondContact CG-O 3.1Å; R188-N195 VanDerWaalsContact CG-OD1 3.28Å; R188-N195 WeakPolarHBondContact CG-OD1 3.27Å; R188-N195 PolarHBondContact N-OD1 3.01Å; R188-C234 HydrophobicContact CB-CB 4.29Å; R188-C234 WeakPolarHBondContact O-CB 3.44Å; R188-E235 HydrophobicContact CG-CB 4.08Å; R188-E235 IonicContact CZ-OE1 2.93Å; R188-E235 IonicContact CZ-OE2 3.19Å; R188-E235 PolarHBondContact N-O 2.98Å; R188-E235 IonicContact NE-OE2 3.9Å; R188-E235 PolarHBondContact NE-OE2 3.09Å; R188-E235 VanDerWaalsContact NH1-CD 3.26Å; R188-E235 IonicContact NH1-OE1 3.11Å; R188-E235 PolarHBondContact NH1-OE1 3Å; R188-E235 IonicContact NH1-OE2 2.89Å; R188-E235 PolarHBondContact NH1-OE2 3.38Å; R188-E235 VanDerWaalsContact NH2-CD 3.32Å; R188-E235 IonicContact NH2-OE1 2.74Å; R188-E235 PolarHBondContact NH2-OE1 3.42Å; R188-E235 IonicContact NH2-OE2 3.35Å; R188-E235 PolarHBondContact NH2-OE2 2.96Å
189	T	64.3	Low	83.5	Confident	16 Å²	16	41.7 Å²	41.7	10%	0.098	22%	0.215	C	C	.	.	S	Bend	trans	-80	-8.1	177.5	64	0	0	0	0	113.5	R39 I40 V41 G187 P194	R39-T189 WeakPolarHBondContact O-CB 3.36Å; R39-T189 WeakPolarHBondContact O-CG2 3.31Å; I40-T189 CarbonylContact C-O 3.6Å; I40-T189 WeakPolarHBondContact CA-O 3.15Å; I40-T189 HydrophobicContact CD1-CG2 4.46Å; I40-T189 HydrophobicContact CG1-CG2 3.9Å; V41-T189 PolarHBondContact N-O 2.86Å; G187-T189 PolarHBondContact O-N 3.42Å; T189-P194 PolarHBondContact N-O 2.04Å
190	K	63.4	Low	83.3	Confident	133 Å²	133	38.8 Å²	38.8	58%	0.578	20%	0.202	S	C	*	.	S	Bend	trans	-151.1	150.9	176	-59.2	-175.5	-178.2	-179.5	0	107.1	R188 Q192 G193	R188-K190 VanDerWaalsContact CB-O 3.25Å; R188-K190 WeakPolarHBondContact CB-O 3.18Å; R188-K190 PolarHBondContact O-N 3.02Å; K190-Q192 PolarHBondContact O-N 3.3Å; K190-G193 PolarHBondContact O-N 2.85Å
191	E	62.3	Low	83.2	Confident	61 Å²	61	35.1 Å²	35.1	29%	0.285	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-28.9	-177	-170.6	175	-178.1	0	0	113.9	R188 G261 C262 R264	R188-E191 PolarHBondContact NH1-O 3.14Å; E191-G261 WeakPolarHBondContact OE1-CA 3.46Å; E191-C262 HydrophobicContact CB-CB 4.22Å; E191-C262 HydrophobicContact CG-CB 4.27Å; E191-R264 IonicContact OE1-CZ 3.04Å; E191-R264 VanDerWaalsContact OE1-CZ 3.23Å; E191-R264 IonicContact OE1-NE 2.91Å; E191-R264 PolarHBondContact OE1-NE 3.29Å; E191-R264 IonicContact OE1-NH2 2.64Å; E191-R264 PolarHBondContact OE1-NH2 2.98Å; E191-R264 IonicContact OE2-NE 3.28Å
192	Q	70.5	Confident	82.8	Confident	177 Å²	177	35.3 Å²	35.3	83%	0.827	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.8	19.9	176.3	-56.8	177.3	19.8	0	0	113.2	K190	K190-Q192 PolarHBondContact O-N 3.3Å
193	G	68.5	Low	82.7	Confident	13 Å²	13	35.6 Å²	35.6	13%	0.134	19%	0.186	C	C	.	.	S	Bend	trans	-87	170	-179.9	0	0	0	0	0	113.1	R188 K190	R188-G193 VanDerWaalsContact CD-O 3.24Å; R188-G193 WeakPolarHBondContact CD-O 3.49Å; R188-G193 VanDerWaalsContact CG-O 3.26Å; R188-G193 WeakPolarHBondContact CG-O 3.1Å; K190-G193 PolarHBondContact O-N 2.85Å
194	P	75.4	Confident	82.5	Confident	104 Å²	104	35.7 Å²	35.7	68%	0.675	19%	0.187	S	C	*	.	P	Polyproline II helix	trans	-67.7	156.6	168.9	31.5	-34.8	0	0	0	110.8	T189	T189-P194 PolarHBondContact N-O 2.04Å
195	N	79.4	Confident	82.5	Confident	61 Å²	61	38.6 Å²	38.6	33%	0.326	20%	0.199	S	C	.	.	B	Isolated β-bridge	trans	-59.5	148.8	164.8	-72.5	-1.1	0	0	0	110.4	W186 R188	W186-N195 VanDerWaalsContact O-CB 3.29Å; W186-N195 WeakPolarHBondContact O-CB 3.1Å; R188-N195 VanDerWaalsContact CG-OD1 3.28Å; R188-N195 WeakPolarHBondContact CG-OD1 3.27Å; R188-N195 PolarHBondContact N-OD1 3.01Å
196	S	87.7	Confident	82.6	Confident	16 Å²	16	38.7 Å²	38.7	11%	0.112	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-79.6	136.8	174.1	-174.2	0	0	0	0	110.8	W186 G187 A198 Q200	W186-S196 WeakPolarHBondContact CB-O 3.45Å; W186-S196 PolarHBondContact O-N 2.65Å; G187-S196 PolarHBondContact O-N 3.39Å; S196-A198 WeakPolarHBondContact CB-O 3.24Å; S196-A198 PolarHBondContact OG-N 3.21Å; S196-A198 PolarHBondContact OG-O 3.19Å; S196-Q200 WeakPolarHBondContact OG-CG 3.45Å; S196-Q200 PolarHBondContact OG-NE2 2.87Å
197	D	91.6	Very high	82.7	Confident	61 Å²	61	39.7 Å²	39.7	33%	0.326	20%	0.204	S	C	.	.	S	Bend	trans	-74.3	-36.7	171.1	-63.8	-30.8	0	0	0	111.2	N116 E117 K118 W186	N116-D197 CarbonylContact C-O 2.92Å; N116-D197 VanDerWaalsContact CA-O 3.3Å; N116-D197 WeakPolarHBondContact CA-O 3.23Å; E117-D197 PolarHBondContact N-O 3.11Å; K118-D197 HydrophobicContact CD-CB 4.43Å; K118-D197 VanDerWaalsContact CD-CG 3.45Å; K118-D197 VanDerWaalsContact CD-OD1 3.27Å; K118-D197 WeakPolarHBondContact CD-OD1 3.47Å; K118-D197 WeakPolarHBondContact CD-OD2 3.37Å; K118-D197 VanDerWaalsContact CE-CG 3.5Å; K118-D197 WeakPolarHBondContact CE-OD1 3.04Å; K118-D197 WeakPolarHBondContact CE-OD2 3.4Å; K118-D197 HydrophobicContact CG-CB 4.33Å; K118-D197 WeakPolarHBondContact CG-OD1 3.42Å; K118-D197 IonicContact NZ-OD1 3.82Å; K118-D197 PolarHBondContact NZ-OD1 3.06Å; K118-D197 IonicContact NZ-OD2 2.76Å; K118-D197 PolarHBondContact NZ-OD2 2.96Å; W186-D197 VanDerWaalsContact CD1-O 3.26Å; W186-D197 PolarHBondContact NE1-O 2.88Å
198	A	93.5	Very high	83.3	Confident	11 Å²	11	41 Å²	41	9%	0.091	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-92.9	145.1	177.6	0	0	0	0	0	111.2	E45 H115 S196 Q200	E45-A198 HydrophobicContact CG-CB 4.02Å; H115-A198 CarbonylContact O-C 3.59Å; H115-A198 WeakPolarHBondContact O-CA 3.26Å; S196-A198 WeakPolarHBondContact CB-O 3.24Å; S196-A198 PolarHBondContact OG-N 3.21Å; S196-A198 PolarHBondContact OG-O 3.19Å; A198-Q200 WeakPolarHBondContact O-CG 3.33Å; A198-Q200 PolarHBondContact O-N 2.92Å; A198-Q200 PolarHBondContact O-NE2 3.49Å; A198-Q200 VanDerWaalsContact O-NE2 3.07Å
199	L	93.8	Very high	84	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.016	22%	0.222	C	C	.	.			trans	-60.5	128.7	178.3	-178.3	58.6	0	0	0	110.4	A46 L51 Q54 H115 W186	A46-L199 HydrophobicContact CB-CB 4.48Å; A46-L199 HydrophobicContact CB-CD2 4.36Å; A46-L199 HydrophobicContact CB-CG 4.1Å; A46-L199 PolarHBondContact N-O 3.15Å; L51-L199 HydrophobicContact CB-CD2 4.23Å; L51-L199 HydrophobicContact CD1-CD2 4Å; L51-L199 HydrophobicContact CD1-CG 4.5Å; L51-L199 HydrophobicContact CG-CD2 4.45Å; Q54-L199 HydrophobicContact CB-CD2 4.15Å; Q54-L199 HydrophobicContact CG-CD1 3.83Å; Q54-L199 HydrophobicContact CG-CD2 4Å; H115-L199 PolarHBondContact O-N 2.92Å; W186-L199 HydrophobicContact CD2-CD1 3.99Å; W186-L199 HydrophobicContact CE3-CD1 4.07Å; W186-L199 HydrophobicContact CH2-CD1 3.92Å; W186-L199 HydrophobicContact CH2-CD2 4.45Å; W186-L199 HydrophobicContact CZ2-CB 3.85Å; W186-L199 HydrophobicContact CZ2-CD1 3.8Å; W186-L199 HydrophobicContact CZ2-CD2 4.23Å; W186-L199 HydrophobicContact CZ2-CG 4.17Å; W186-L199 HydrophobicContact CZ3-CD1 4.05Å
200	Q	92	Very high	85.2	Confident	10 Å²	10	47.1 Å²	47.1	5%	0.047	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	160.9	178.6	-56.3	-63.8	-62.4	0	0	110.5	I40 W44 E45 S184 G185 S196 A198	I40-Q200 HydrophobicContact CD1-CB 3.1Å; I40-Q200 HydrophobicContact CD1-CG 3.44Å; I40-Q200 VanDerWaalsContact CD1-CG 3.44Å; I40-Q200 HydrophobicContact CG1-CB 3.56Å; I40-Q200 HydrophobicContact CG1-CG 3.58Å; W44-Q200 VanDerWaalsContact C-OE1 3.22Å; W44-Q200 CarbonylContact O-C 3.56Å; W44-Q200 WeakPolarHBondContact O-CA 3.46Å; W44-Q200 PolarHBondContact O-OE1 2.91Å; E45-Q200 VanDerWaalsContact N-OE1 3.09Å; S184-Q200 WeakPolarHBondContact CA-O 3.19Å; S184-Q200 WeakPolarHBondContact CB-O 3.49Å; G185-Q200 PolarHBondContact N-O 3.03Å; G185-Q200 PolarHBondContact O-N 2.92Å; S196-Q200 WeakPolarHBondContact OG-CG 3.45Å; S196-Q200 PolarHBondContact OG-NE2 2.87Å; A198-Q200 WeakPolarHBondContact O-CG 3.33Å; A198-Q200 PolarHBondContact O-N 2.92Å; A198-Q200 PolarHBondContact O-NE2 3.49Å; A198-Q200 VanDerWaalsContact O-NE2 3.07Å
201	M	90.1	Very high	86.4	Confident	8 Å²	8	44.6 Å²	44.6	4%	0.039	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	148	173.6	177.2	-177.3	-67.8	0	0	110.1	L30 G43 W44 A46 L51 F182 T183 F243	L30-M201 HydrophobicContact CD2-CE 3.9Å; G43-M201 CarbonylContact C-O 3.55Å; G43-M201 VanDerWaalsContact CA-O 3.32Å; G43-M201 WeakPolarHBondContact CA-O 3.27Å; W44-M201 HydrophobicContact CZ2-CG 4.19Å; W44-M201 HydrophobicContact CZ2-SD 4.07Å; W44-M201 PolarHBondContact N-O 3.45Å; W44-M201 PolarHBondContact O-N 3.26Å; A46-M201 HydrophobicContact CB-CB 4.49Å; L51-M201 HydrophobicContact CD1-CE 3.34Å; L51-M201 HydrophobicContact CD2-CE 3.34Å; L51-M201 HydrophobicContact CG-CE 3.87Å; F182-M201 HydrophobicContact CB-CE 4.46Å; F182-M201 HydrophobicContact CB-CG 4.01Å; F182-M201 HydrophobicContact CB-SD 3.85Å; F182-M201 HydrophobicContact CD1-CG 4.08Å; F182-M201 HydrophobicContact CD1-SD 3.58Å; F182-M201 VanDerWaalsContact CD1-SD 3.58Å; F182-M201 HydrophobicContact CE1-SD 4.35Å; F182-M201 HydrophobicContact CG-CG 4.42Å; F182-M201 HydrophobicContact CG-SD 3.84Å; T183-M201 CarbonylContact O-C 2.79Å; T183-M201 VanDerWaalsContact O-CA 3.3Å; T183-M201 WeakPolarHBondContact O-CA 3.3Å; M201-F243 HydrophobicContact CE-CE2 3.85Å; M201-F243 HydrophobicContact CE-CZ 3.45Å; M201-F243 VanDerWaalsContact CE-CZ 3.45Å; M201-F243 HydrophobicContact SD-CZ 4.5Å
202	V	87.5	Confident	87.6	Confident	4 Å²	4	42 Å²	42	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	145.1	170.8	64.4	0	0	0	0	110.7	F182 T183 K231	F182-V202 VanDerWaalsContact CA-O 3.29Å; F182-V202 WeakPolarHBondContact CA-O 3.5Å; T183-V202 HydrophobicContact CG2-CG1 3.34Å; T183-V202 PolarHBondContact N-O 3.02Å; T183-V202 PolarHBondContact O-N 2.78Å; V202-K231 HydrophobicContact CG2-CB 3.88Å; V202-K231 HydrophobicContact CG2-CD 4.05Å; V202-K231 HydrophobicContact CG2-CG 3.84Å
203	D	89.9	Confident	88	Confident	19 Å²	19	36.3 Å²	36.3	10%	0.102	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	132.2	170.2	58.5	-63.2	0	0	0	110.8	K33 W44 C181 F182 H226 K231	K33-D203 VanDerWaalsContact CE-OD1 3.31Å; K33-D203 WeakPolarHBondContact CE-OD1 3.45Å; K33-D203 IonicContact NZ-OD2 3.58Å; W44-D203 HydrophobicContact CH2-CB 4.08Å; W44-D203 HydrophobicContact CZ3-CB 4.42Å; W44-D203 WeakPolarHBondContact CZ3-OD1 3.17Å; C181-D203 WeakPolarHBondContact O-CA 3.5Å; F182-D203 HydrophobicContact CD1-CB 4.23Å; F182-D203 HydrophobicContact CE1-CB 4.15Å; D203-H226 PolarHBondContact O-CD2 2.97Å; D203-H226 PolarHBondContact O-NE2 2.98Å; D203-H226 IonicContact OD2-CE1 3.37Å; D203-H226 PolarHBondContact OD2-CE1 3.08Å; D203-H226 IonicContact OD2-NE2 2.63Å; D203-H226 PolarHBondContact OD2-NE2 3.46Å; D203-K231 VanDerWaalsContact CG-NZ 3.25Å; D203-K231 IonicContact OD1-NZ 2.96Å; D203-K231 PolarHBondContact OD1-NZ 2.87Å; D203-K231 IonicContact OD2-NZ 3.4Å; D203-K231 PolarHBondContact OD2-NZ 3.02Å
204	A	90.7	Very high	88.2	Confident	4 Å²	4	37.1 Å²	37.1	3%	0.033	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	126.1	176.5	0	0	0	0	0	109.3	C181 A224 L242	C181-A204 CarbonylContact C-O 3.51Å; C181-A204 WeakPolarHBondContact CA-O 3.47Å; C181-A204 WeakPolarHBondContact CB-O 3.37Å; C181-A204 PolarHBondContact N-O 2.88Å; C181-A204 PolarHBondContact O-N 2.82Å; C181-A204 VanDerWaalsContact O-O 3.09Å; A204-A224 HydrophobicContact CB-CB 4.08Å; A204-L242 HydrophobicContact CB-CD1 4.27Å
205	K	93.1	Very high	88.3	Confident	64 Å²	64	35.4 Å²	35.4	28%	0.278	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.4	177.7	-176.1	174.2	-68.7	-59	0	109.5	G178 K179 D180 Q207 A224 G225	G178-K205 WeakPolarHBondContact O-CG 3.5Å; G178-K205 PolarHBondContact O-NZ 2.97Å; K179-K205 WeakPolarHBondContact O-CA 3.22Å; D180-K205 VanDerWaalsContact CG-NZ 3.33Å; D180-K205 IonicContact OD1-NZ 3.97Å; D180-K205 PolarHBondContact OD1-NZ 3.43Å; D180-K205 IonicContact OD2-NZ 2.68Å; D180-K205 PolarHBondContact OD2-NZ 3.12Å; K205-Q207 PolarHBondContact O-N 2.58Å; K205-Q207 PolarHBondContact O-NE2 3.44Å; K205-A224 CarbonylContact O-C 3.58Å; K205-A224 WeakPolarHBondContact O-CA 3.34Å; K205-G225 PolarHBondContact O-N 2.63Å; K205-G225 VanDerWaalsContact O-O 3.12Å
206	V	95.1	Very high	88.1	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.03	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	129.3	177.4	179.3	0	0	0	0	109.7	L175 E176 G178 K179 F222	L175-V206 HydrophobicContact CD1-CG2 4.4Å; L175-V206 HydrophobicContact CD2-CG1 4.23Å; L175-V206 HydrophobicContact CD2-CG2 3.46Å; L175-V206 VanDerWaalsContact CD2-CG2 3.46Å; L175-V206 HydrophobicContact CG-CG1 4.32Å; L175-V206 HydrophobicContact CG-CG2 3.78Å; E176-V206 WeakPolarHBondContact O-CB 3.5Å; G178-V206 PolarHBondContact N-O 3.04Å; K179-V206 HydrophobicContact CB-CB 4.35Å; K179-V206 HydrophobicContact CB-CG2 3.97Å; K179-V206 PolarHBondContact O-N 2.68Å; V206-F222 HydrophobicContact CG1-CD2 4.39Å
207	Q	94.4	Very high	87.7	Confident	22 Å²	22	40.8 Å²	40.8	10%	0.103	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	158.8	-176.8	-64	-58	-26.7	0	0	111.5	K205 Y211 C223 G225 L227 P268	K205-Q207 PolarHBondContact O-N 2.58Å; K205-Q207 PolarHBondContact O-NE2 3.44Å; Q207-Y211 HydrophobicContact CB-CD2 4.24Å; Q207-C223 HydrophobicContact CB-CB 4.21Å; Q207-C223 PolarHBondContact N-O 2.68Å; Q207-G225 PolarHBondContact NE2-O 3.05Å; Q207-L227 HydrophobicContact CG-CD2 4.01Å; Q207-L227 HydrophobicContact CG-CG 4.46Å; Q207-P268 HydrophobicContact CB-CG 4.5Å; Q207-P268 HydrophobicContact CG-CB 4.12Å; Q207-P268 HydrophobicContact CG-CG 4.37Å
208	A	92.6	Very high	87.2	Confident	27 Å²	27	43.3 Å²	43.3	22%	0.223	21%	0.213	C	C	.	.			trans	-67.5	145.1	171.8	0	0	0	0	0	110.9	V177 Q210 Y211	V177-A208 HydrophobicContact CG1-CB 4.32Å; V177-A208 HydrophobicContact CG2-CB 4.32Å; A208-Q210 HydrophobicContact CB-CG 4.15Å; A208-Q210 PolarHBondContact O-N 3.39Å; A208-Y211 HydrophobicContact CB-CD2 4.11Å; A208-Y211 HydrophobicContact CB-CE2 4.27Å; A208-Y211 WeakPolarHBondContact O-CD2 3.26Å; A208-Y211 PolarHBondContact O-N 2.96Å
209	D	89.1	Confident	86.8	Confident	59 Å²	59	45.1 Å²	45.1	32%	0.316	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-51.8	-28.4	-177.9	-68.9	-3.7	0	0	0	113.9	Y211 C212 Q215 R218	D209-Y211 PolarHBondContact O-N 2.92Å; D209-Y211 VanDerWaalsContact O-N 3.14Å; D209-C212 WeakPolarHBondContact O-CB 3.47Å; D209-C212 PolarHBondContact O-N 3.18Å; D209-Q215 PolarHBondContact O-NE2 2.8Å; D209-Q215 PolarHBondContact O-OE1 3.07Å; D209-Q215 VanDerWaalsContact O-OE1 3.1Å; D209-R218 HydrophobicContact CB-CG 4.06Å
210	Q	88.6	Confident	86.7	Confident	128 Å²	128	47 Å²	47	60%	0.598	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-60.4	-21.8	177.3	72.2	-176.9	19.8	0	0	114	A208 Q215	A208-Q210 HydrophobicContact CB-CG 4.15Å; A208-Q210 PolarHBondContact O-N 3.39Å; Q210-Q215 PolarHBondContact O-NE2 2.86Å
211	Y	88.3	Confident	86.6	Confident	80 Å²	80	46.7 Å²	46.7	31%	0.314	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-89.8	-7	177.1	-61.8	-68.5	0	0	0	113.2	Q207 A208 D209 L227 P268	Q207-Y211 HydrophobicContact CB-CD2 4.24Å; A208-Y211 HydrophobicContact CB-CD2 4.11Å; A208-Y211 HydrophobicContact CB-CE2 4.27Å; A208-Y211 WeakPolarHBondContact O-CD2 3.26Å; A208-Y211 PolarHBondContact O-N 2.96Å; D209-Y211 PolarHBondContact O-N 2.92Å; D209-Y211 VanDerWaalsContact O-N 3.14Å; Y211-L227 HydrophobicContact CD1-CD1 4.16Å; Y211-L227 HydrophobicContact CD1-CD2 3.87Å; Y211-L227 HydrophobicContact CD2-CD1 4.08Å; Y211-L227 HydrophobicContact CD2-CD2 4.2Å; Y211-L227 HydrophobicContact CE1-CD1 3.76Å; Y211-L227 HydrophobicContact CE1-CD2 4.3Å; Y211-L227 HydrophobicContact CE2-CD1 3.65Å; Y211-L227 HydrophobicContact CG-CD1 4.31Å; Y211-L227 HydrophobicContact CG-CD2 3.82Å; Y211-L227 VanDerWaalsContact CZ-CD1 3.47Å; Y211-P268 WeakPolarHBondContact O-CD 3.39Å; Y211-P268 WeakPolarHBondContact O-CG 3.24Å
212	C	87.1	Confident	86.8	Confident	7 Å²	7	46.6 Å²	46.6	5%	0.047	24%	0.241	C	C	.	.			trans	-71.2	142.7	171.4	-63.3	0	0	0	0	110.8	D209 Q215 C223	D209-C212 WeakPolarHBondContact O-CB 3.47Å; D209-C212 PolarHBondContact O-N 3.18Å; C212-Q215 PolarHBondContact O-NE2 3.35Å; C212-C223 WeakPolarHBondContact CA-SG 2.93Å; C212-C223 HydrophobicContact CB-CB 4.35Å; C212-C223 WeakPolarHBondContact CB-SG 3.13Å; C212-C223 WeakPolarHBondContact SG-CB 3.4Å; C212-C223 PolarHBondContact SG-N 2.94Å; C212-C223 VanDerWaalsContact SG-N 3.42Å; C212-C223 CovalentContact SG-SG 2.03Å; C212-C223 PolarHBondContact SG-SG 3.37Å
213	V	79.6	Confident	87	Confident	57 Å²	57	46.4 Å²	46.4	35%	0.345	24%	0.24	S	C	.	.	S	Bend	trans	-70	-44	174.9	179	0	0	0	0	108.3	Q215 M267 E270 L368	V213-Q215 PolarHBondContact O-N 2.69Å; V213-M267 HydrophobicContact CG2-SD 4.13Å; V213-E270 WeakPolarHBondContact CA-OE1 3.44Å; V213-E270 PolarHBondContact N-OE1 3.21Å; V213-L368 HydrophobicContact CG1-CD2 4.13Å
214	N	73.5	Confident	87.1	Confident	29 Å²	29	45.5 Å²	45.5	16%	0.155	24%	0.235	C	C	.	.			trans	-90.7	95.1	-178.5	-158.3	-50.6	0	0	0	113.2	I144 L216 F217 E270	I144-N214 HydrophobicContact CD1-CB 4.28Å; I144-N214 WeakPolarHBondContact CD1-ND2 3.29Å; N214-L216 VanDerWaalsContact C-N 3.3Å; N214-L216 PolarHBondContact O-N 2.97Å; N214-L216 WeakPolarHBondContact OD1-CB 3.42Å; N214-L216 PolarHBondContact OD1-N 2.93Å; N214-F217 HydrophobicContact CB-CD2 4.35Å; N214-F217 VanDerWaalsContact ND2-CD2 3.32Å; N214-F217 WeakPolarHBondContact ND2-CD2 3.25Å; N214-F217 WeakPolarHBondContact ND2-CE2 3.32Å; N214-F217 WeakPolarHBondContact OD1-CD2 3.44Å; N214-F217 PolarHBondContact OD1-N 3.1Å; N214-E270 PolarHBondContact N-OE1 3.34Å
215	Q	76.4	Confident	87	Confident	68 Å²	68	45.4 Å²	45.4	32%	0.318	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-76.1	-14.8	178.2	-54.5	-61.6	-9.8	0	0	113.8	D209 Q210 C212 V213 R218	D209-Q215 PolarHBondContact O-NE2 2.8Å; D209-Q215 PolarHBondContact O-OE1 3.07Å; D209-Q215 VanDerWaalsContact O-OE1 3.1Å; Q210-Q215 PolarHBondContact O-NE2 2.86Å; C212-Q215 PolarHBondContact O-NE2 3.35Å; V213-Q215 PolarHBondContact O-N 2.69Å; Q215-R218 VanDerWaalsContact CD-NH2 3.26Å; Q215-R218 WeakPolarHBondContact O-CG 3.33Å
216	L	76.1	Confident	86.7	Confident	153 Å²	153	44 Å²	44	80%	0.801	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-76.6	-26.1	-179.1	-64.4	171.9	0	0	0	112.5	N214	N214-L216 VanDerWaalsContact C-N 3.3Å; N214-L216 PolarHBondContact O-N 2.97Å; N214-L216 WeakPolarHBondContact OD1-CB 3.42Å; N214-L216 PolarHBondContact OD1-N 2.93Å
217	F	79.1	Confident	86.2	Confident	37 Å²	37	45.1 Å²	45.1	16%	0.162	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-108.9	20.8	-173.7	-56.6	-59.2	0	0	0	114.3	V142 I144 A145 N214 G219 I220 V221	V142-F217 HydrophobicContact CG1-CE1 3.67Å; V142-F217 HydrophobicContact CG1-CZ 3.56Å; I144-F217 HydrophobicContact CB-CD2 3.62Å; I144-F217 HydrophobicContact CB-CE2 3.7Å; I144-F217 HydrophobicContact CB-CG 4.49Å; I144-F217 HydrophobicContact CD1-CD2 4.25Å; I144-F217 HydrophobicContact CD1-CE2 4.16Å; I144-F217 HydrophobicContact CG1-CD2 4.5Å; I144-F217 HydrophobicContact CG1-CE2 4.38Å; I144-F217 HydrophobicContact CG2-CB 4.47Å; I144-F217 HydrophobicContact CG2-CD2 3.65Å; I144-F217 HydrophobicContact CG2-CE2 4.28Å; I144-F217 HydrophobicContact CG2-CG 4.29Å; A145-F217 HydrophobicContact CB-CD1 3.88Å; A145-F217 HydrophobicContact CB-CE1 3.72Å; A145-F217 HydrophobicContact CB-CZ 4.4Å; N214-F217 HydrophobicContact CB-CD2 4.35Å; N214-F217 VanDerWaalsContact ND2-CD2 3.32Å; N214-F217 WeakPolarHBondContact ND2-CD2 3.25Å; N214-F217 WeakPolarHBondContact ND2-CE2 3.32Å; N214-F217 WeakPolarHBondContact OD1-CD2 3.44Å; N214-F217 PolarHBondContact OD1-N 3.1Å; F217-G219 PolarHBondContact O-N 2.73Å; F217-I220 HydrophobicContact CB-CD1 4.05Å; F217-I220 HydrophobicContact CB-CG1 4.01Å; F217-I220 HydrophobicContact CD1-CD1 4.01Å; F217-I220 HydrophobicContact CG-CD1 4.35Å; F217-I220 VanDerWaalsContact O-CG1 3.25Å; F217-I220 WeakPolarHBondContact O-CG1 3.4Å; F217-I220 PolarHBondContact O-N 2.83Å; F217-V221 HydrophobicContact CB-CB 4.31Å; F217-V221 HydrophobicContact CB-CG2 3.86Å; F217-V221 PolarHBondContact O-N 3.38Å
218	R	80	Confident	85.8	Confident	114 Å²	114	51.1 Å²	51.1	43%	0.43	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-28.2	178.9	-68.5	175.6	179.1	170.4	0.3	114.9	D209 Q215 I220 K273	D209-R218 HydrophobicContact CB-CG 4.06Å; Q215-R218 VanDerWaalsContact CD-NH2 3.26Å; Q215-R218 WeakPolarHBondContact O-CG 3.33Å; R218-I220 VanDerWaalsContact C-N 3.26Å; R218-I220 PolarHBondContact O-N 3.28Å; R218-K273 PolarHBondContact O-NZ 2.81Å
219	G	86.5	Confident	85.3	Confident	49 Å²	49	50.4 Å²	50.4	51%	0.505	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-26	178.4	0	0	0	0	0	114.3	F217 K276	F217-G219 PolarHBondContact O-N 2.73Å; G219-K276 WeakPolarHBondContact O-CD 3.24Å; G219-K276 VanDerWaalsContact O-CG 3.3Å; G219-K276 WeakPolarHBondContact O-CG 3.43Å
220	I	90.3	Very high	84.5	Confident	43 Å²	43	49.3 Å²	49.3	22%	0.221	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.7	-6.6	-165.5	45	158.4	0	0	0	113	A145 F217 R218 K273 K276 F277	A145-I220 VanDerWaalsContact C-CD1 3.49Å; A145-I220 HydrophobicContact CB-CD1 3.69Å; A145-I220 WeakPolarHBondContact O-CD1 3.34Å; F217-I220 HydrophobicContact CB-CD1 4.05Å; F217-I220 HydrophobicContact CB-CG1 4.01Å; F217-I220 HydrophobicContact CD1-CD1 4.01Å; F217-I220 HydrophobicContact CG-CD1 4.35Å; F217-I220 VanDerWaalsContact O-CG1 3.25Å; F217-I220 WeakPolarHBondContact O-CG1 3.4Å; F217-I220 PolarHBondContact O-N 2.83Å; R218-I220 VanDerWaalsContact C-N 3.26Å; R218-I220 PolarHBondContact O-N 3.28Å; I220-K273 WeakPolarHBondContact O-CB 3.35Å; I220-K273 PolarHBondContact O-N 2.95Å; I220-K276 HydrophobicContact CG2-CB 4.18Å; I220-F277 HydrophobicContact CB-CE2 4.08Å; I220-F277 HydrophobicContact CB-CZ 4.14Å; I220-F277 HydrophobicContact CG2-CE2 4.23Å; I220-F277 HydrophobicContact CG2-CZ 4.15Å
221	V	91.4	Very high	83.8	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	150.9	172	175.2	0	0	0	0	108.6	I144 F217 E270 Y271 K273	I144-V221 HydrophobicContact CG2-CG2 3.83Å; F217-V221 HydrophobicContact CB-CB 4.31Å; F217-V221 HydrophobicContact CB-CG2 3.86Å; F217-V221 PolarHBondContact O-N 3.38Å; V221-E270 HydrophobicContact CG1-CB 3.99Å; V221-Y271 WeakPolarHBondContact CA-O 3.48Å; V221-K273 WeakPolarHBondContact O-CE 3.19Å; V221-K273 PolarHBondContact O-NZ 2.82Å
222	F	93	Very high	83	Confident	7 Å²	7	41.4 Å²	41.4	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	167.4	167	71.1	-77.1	0	0	0	110.3	L175 V206 A224 L242 Y253 Y271 K273	L175-F222 HydrophobicContact CD2-CD2 4.18Å; L175-F222 HydrophobicContact CD2-CE2 3.72Å; L175-F222 HydrophobicContact CD2-CZ 4.07Å; V206-F222 HydrophobicContact CG1-CD2 4.39Å; F222-A224 HydrophobicContact CE2-CB 4.38Å; F222-L242 HydrophobicContact CE2-CD1 4.2Å; F222-L242 HydrophobicContact CE2-CD2 4.11Å; F222-L242 HydrophobicContact CZ-CD1 4.42Å; F222-L242 HydrophobicContact CZ-CD2 3.99Å; F222-Y253 WeakPolarHBondContact CE1-O 2.95Å; F222-Y271 WeakPolarHBondContact CD1-O 3.29Å; F222-Y271 HydrophobicContact CE2-CD2 4.38Å; F222-Y271 HydrophobicContact CE2-CG 4.47Å; F222-Y271 HydrophobicContact CZ-CG 4.2Å; F222-Y271 PolarHBondContact N-O 3.18Å; F222-Y271 PolarHBondContact O-N 3.26Å; F222-K273 HydrophobicContact CD1-CB 3.86Å; F222-K273 HydrophobicContact CD1-CG 4.15Å; F222-K273 HydrophobicContact CE1-CB 4.44Å
223	C	92.1	Very high	82	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	146	-178.9	-65.7	0	0	0	0	112.6	Q207 C212 P268 G269	Q207-C223 HydrophobicContact CB-CB 4.21Å; Q207-C223 PolarHBondContact N-O 2.68Å; C212-C223 WeakPolarHBondContact CA-SG 2.93Å; C212-C223 HydrophobicContact CB-CB 4.35Å; C212-C223 WeakPolarHBondContact CB-SG 3.13Å; C212-C223 WeakPolarHBondContact SG-CB 3.4Å; C212-C223 PolarHBondContact SG-N 2.94Å; C212-C223 VanDerWaalsContact SG-N 3.42Å; C212-C223 CovalentContact SG-SG 2.03Å; C212-C223 PolarHBondContact SG-SG 3.37Å; C223-P268 HydrophobicContact CB-CB 4.04Å; C223-P268 HydrophobicContact CB-CG 3.68Å; C223-G269 VanDerWaalsContact CA-O 3.29Å; C223-G269 WeakPolarHBondContact CA-O 3.36Å
224	A	92.1	Very high	81.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	148.8	171.5	0	0	0	0	0	110.9	A204 K205 F222 L242 P268 G269 Y271	A204-A224 HydrophobicContact CB-CB 4.08Å; K205-A224 CarbonylContact O-C 3.58Å; K205-A224 WeakPolarHBondContact O-CA 3.34Å; F222-A224 HydrophobicContact CE2-CB 4.38Å; A224-L242 HydrophobicContact CB-CD1 3.38Å; A224-P268 WeakPolarHBondContact O-CB 3.34Å; A224-G269 PolarHBondContact N-O 3.34Å; A224-G269 VanDerWaalsContact N-O 3.1Å; A224-G269 PolarHBondContact O-N 2.95Å; A224-G269 VanDerWaalsContact O-N 3.1Å; A224-Y271 HydrophobicContact CB-CD2 4.12Å; A224-Y271 HydrophobicContact CB-CE2 3.7Å
225	G	88.9	Confident	81.2	Confident	2 Å²	2	40 Å²	40	2%	0.021	22%	0.216	C	C	.	.	S	Bend	trans	152.3	-174.9	-176.4	0	0	0	0	0	111.1	K205 Q207	K205-G225 PolarHBondContact O-N 2.63Å; K205-G225 VanDerWaalsContact O-O 3.12Å; Q207-G225 PolarHBondContact NE2-O 3.05Å
226	H	86.9	Confident	80.8	Confident	35 Å²	35	37.4 Å²	37.4	16%	0.162	21%	0.208	C	C	.	.			trans	-105.6	123.9	173.3	-65.6	-97.9	0	0	0	108	D203 E228 G229 K231	D203-H226 PolarHBondContact O-CD2 2.97Å; D203-H226 PolarHBondContact O-NE2 2.98Å; D203-H226 IonicContact OD2-CE1 3.37Å; D203-H226 PolarHBondContact OD2-CE1 3.08Å; D203-H226 IonicContact OD2-NE2 2.63Å; D203-H226 PolarHBondContact OD2-NE2 3.46Å; H226-E228 PolarHBondContact O-N 2.8Å; H226-G229 WeakPolarHBondContact O-CA 3.27Å; H226-G229 PolarHBondContact O-N 2.98Å; H226-K231 HydrophobicContact CB-CB 4.43Å; H226-K231 WeakPolarHBondContact CD2-CD 3.37Å
227	L	85	Confident	81.1	Confident	28 Å²	28	30.4 Å²	30.4	15%	0.147	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-22.5	-174.8	-62.7	179.4	0	0	0	112.1	Q207 Y211 G229 K265 N266 P268	Q207-L227 HydrophobicContact CG-CD2 4.01Å; Q207-L227 HydrophobicContact CG-CG 4.46Å; Y211-L227 HydrophobicContact CD1-CD1 4.16Å; Y211-L227 HydrophobicContact CD1-CD2 3.87Å; Y211-L227 HydrophobicContact CD2-CD1 4.08Å; Y211-L227 HydrophobicContact CD2-CD2 4.2Å; Y211-L227 HydrophobicContact CE1-CD1 3.76Å; Y211-L227 HydrophobicContact CE1-CD2 4.3Å; Y211-L227 HydrophobicContact CE2-CD1 3.65Å; Y211-L227 HydrophobicContact CG-CD1 4.31Å; Y211-L227 HydrophobicContact CG-CD2 3.82Å; Y211-L227 VanDerWaalsContact CZ-CD1 3.47Å; L227-G229 PolarHBondContact O-N 3.18Å; L227-G229 VanDerWaalsContact O-N 3.14Å; L227-K265 WeakPolarHBondContact O-CG 2.98Å; L227-N266 PolarHBondContact O-N 2.99Å; L227-P268 HydrophobicContact CD2-CG 4.42Å
228	E	86.2	Confident	81.6	Confident	148 Å²	148	29.9 Å²	29.9	69%	0.692	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-14.7	169.3	-56.3	77.7	-166.8	0	0	112.1	H226	H226-E228 PolarHBondContact O-N 2.8Å
229	G	80.9	Confident	82.3	Confident	12 Å²	12	24.5 Å²	24.5	12%	0.124	15%	0.151	C	C	.	.	S	Bend	trans	76.6	-161.8	-170.7	0	0	0	0	0	111	H226 L227 K231 A263	H226-G229 WeakPolarHBondContact O-CA 3.27Å; H226-G229 PolarHBondContact O-N 2.98Å; L227-G229 PolarHBondContact O-N 3.18Å; L227-G229 VanDerWaalsContact O-N 3.14Å; G229-K231 PolarHBondContact O-N 2.94Å; G229-K231 VanDerWaalsContact O-N 3.14Å; G229-A263 CarbonylContact C-O 3.58Å; G229-A263 WeakPolarHBondContact CA-O 3.34Å
230	G	72	Confident	82.8	Confident	36 Å²	36	22.1 Å²	22.1	37%	0.371	13%	0.127	S	C	.	.	S	Bend	trans	73.1	-0.2	177.9	0	0	0	0	0	114.8	V41 G42 A263	V41-G230 CarbonylContact C-O 3.52Å; V41-G230 WeakPolarHBondContact CB-O 3.37Å; V41-G230 VanDerWaalsContact CG1-C 3.46Å; V41-G230 VanDerWaalsContact CG1-O 3.23Å; V41-G230 WeakPolarHBondContact CG1-O 3.49Å; G42-G230 WeakPolarHBondContact CA-O 3.06Å; G42-G230 PolarHBondContact N-O 2.8Å; G230-A263 PolarHBondContact N-O 2.86Å
231	K	74.1	Confident	83.1	Confident	33 Å²	33	20.1 Å²	20.1	14%	0.143	12%	0.117	C	C	.	.			trans	-144.1	127.3	172.2	-74.8	177.3	-177.2	-174.6	0	113.6	K33 V41 G42 V202 D203 H226 G229	K33-K231 VanDerWaalsContact NZ-NZ 3.16Å; V41-K231 VanDerWaalsContact O-CA 3.23Å; V41-K231 WeakPolarHBondContact O-CA 3.5Å; G42-K231 WeakPolarHBondContact O-CE 3.47Å; V202-K231 HydrophobicContact CG2-CB 3.88Å; V202-K231 HydrophobicContact CG2-CD 4.05Å; V202-K231 HydrophobicContact CG2-CG 3.84Å; D203-K231 VanDerWaalsContact CG-NZ 3.25Å; D203-K231 IonicContact OD1-NZ 2.96Å; D203-K231 PolarHBondContact OD1-NZ 2.87Å; D203-K231 IonicContact OD2-NZ 3.4Å; D203-K231 PolarHBondContact OD2-NZ 3.02Å; H226-K231 HydrophobicContact CB-CB 4.43Å; H226-K231 WeakPolarHBondContact CD2-CD 3.37Å; G229-K231 PolarHBondContact O-N 2.94Å; G229-K231 VanDerWaalsContact O-N 3.14Å
232	D	72	Confident	83.3	Confident	8 Å²	8	20 Å²	20	4%	0.043	12%	0.116	C	C	.	.			trans	-168.4	162.8	179.1	-152.9	-3.8	0	0	0	112.9	A263	D232-A263 HydrophobicContact CB-CB 3.63Å; D232-A263 PolarHBondContact OD2-N 3.11Å
233	A	66.4	Low	83.5	Confident	9 Å²	9	19.6 Å²	19.6	7%	0.074	12%	0.115	C	C	.	.			trans	-68.2	152.5	155.6	0	0	0	0	0	108.9	T183 D237 V256	T183-A233 HydrophobicContact CG2-CB 4.05Å; A233-D237 HydrophobicContact CB-CB 4.26Å; A233-V256 HydrophobicContact CB-CG1 4.02Å; A233-V256 HydrophobicContact CB-CG2 4.14Å
234	C	72.4	Confident	83.7	Confident	9 Å²	9	19.6 Å²	19.6	6%	0.061	12%	0.115	C	C	.	.			trans	-138.9	-177.7	179.5	-161.8	0	0	0	0	111.7	R188 G236 D237 C262	R188-C234 HydrophobicContact CB-CB 4.29Å; R188-C234 WeakPolarHBondContact O-CB 3.44Å; C234-G236 PolarHBondContact O-N 3.37Å; C234-D237 PolarHBondContact N-OD2 2.86Å; C234-D237 WeakPolarHBondContact O-CB 3.15Å; C234-D237 PolarHBondContact O-N 2.68Å; C234-C262 WeakPolarHBondContact CA-SG 3.3Å; C234-C262 HydrophobicContact CB-CB 3.65Å; C234-C262 WeakPolarHBondContact CB-SG 3.14Å; C234-C262 WeakPolarHBondContact SG-CB 3.47Å; C234-C262 CovalentContact SG-SG 2.02Å; C234-C262 PolarHBondContact SG-SG 3.03Å
235	E	64	Low	83.9	Confident	47 Å²	47	22.3 Å²	22.3	22%	0.22	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	130.6	177.3	-74.4	-174.1	-139	0	0	111.6	G187 R188 P362	G187-E235 CarbonylContact C-O 3.53Å; G187-E235 WeakPolarHBondContact CA-O 3.35Å; R188-E235 HydrophobicContact CG-CB 4.08Å; R188-E235 IonicContact CZ-OE1 2.93Å; R188-E235 IonicContact CZ-OE2 3.19Å; R188-E235 PolarHBondContact N-O 2.98Å; R188-E235 IonicContact NE-OE2 3.9Å; R188-E235 PolarHBondContact NE-OE2 3.09Å; R188-E235 VanDerWaalsContact NH1-CD 3.26Å; R188-E235 IonicContact NH1-OE1 3.11Å; R188-E235 PolarHBondContact NH1-OE1 3Å; R188-E235 IonicContact NH1-OE2 2.89Å; R188-E235 PolarHBondContact NH1-OE2 3.38Å; R188-E235 VanDerWaalsContact NH2-CD 3.32Å; R188-E235 IonicContact NH2-OE1 2.74Å; R188-E235 PolarHBondContact NH2-OE1 3.42Å; R188-E235 IonicContact NH2-OE2 3.35Å; R188-E235 PolarHBondContact NH2-OE2 2.96Å; E235-P362 WeakPolarHBondContact OE1-CA 3.09Å; E235-P362 VanDerWaalsContact OE1-CB 3.29Å; E235-P362 WeakPolarHBondContact OE1-CB 3.34Å
236	G	67.4	Low	84.1	Confident	13 Å²	13	23.5 Å²	23.5	13%	0.134	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.9	-8.2	-176.1	0	0	0	0	0	114.6	R56 C234	R56-G236 PolarHBondContact NH1-O 2.64Å; C234-G236 PolarHBondContact O-N 3.37Å
237	D	82.1	Confident	84.3	Confident	5 Å²	5	29.8 Å²	29.8	3%	0.027	17%	0.174	C	C	.	.			trans	-96.1	-8.2	170.8	-57.5	-39.5	0	0	0	112.9	G185 W186 G187 A233 C234 G239 G240 V256	G185-D237 VanDerWaalsContact C-OD1 3.23Å; G185-D237 WeakPolarHBondContact CA-OD1 3.34Å; W186-D237 PolarHBondContact N-OD1 3.35Å; G187-D237 VanDerWaalsContact CA-OD1 3.27Å; G187-D237 WeakPolarHBondContact CA-OD1 3.29Å; G187-D237 PolarHBondContact N-OD1 3.35Å; A233-D237 HydrophobicContact CB-CB 4.26Å; C234-D237 PolarHBondContact N-OD2 2.86Å; C234-D237 WeakPolarHBondContact O-CB 3.15Å; C234-D237 PolarHBondContact O-N 2.68Å; D237-G239 PolarHBondContact O-N 3.28Å; D237-G240 WeakPolarHBondContact O-CA 3.37Å; D237-G240 PolarHBondContact O-N 3.26Å; D237-V256 HydrophobicContact CB-CG1 4.47Å; D237-V256 WeakPolarHBondContact O-CB 3.34Å
238	S	90.8	Very high	84.6	Confident	27 Å²	27	32.2 Å²	32.2	19%	0.189	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40.6	128.4	174.4	-78.3	0	0	0	0	113.2	C71 G72 H92 G240	C71-S238 CarbonylContact C-O 3.43Å; C71-S238 WeakPolarHBondContact CA-O 3.44Å; C71-S238 VanDerWaalsContact CB-O 3.24Å; C71-S238 WeakPolarHBondContact CB-O 3.09Å; G72-S238 PolarHBondContact N-O 3.22Å; H92-S238 WeakPolarHBondContact NE2-CB 3.37Å; H92-S238 PolarHBondContact NE2-OG 2.89Å; S238-G240 PolarHBondContact O-N 2.63Å
239	G	94.5	Very high	85	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	-7.9	-176	0	0	0	0	0	115.1	G72 G73 T89 D237 V256	G72-G239 CarbonylContact O-C 3.38Å; G73-G239 WeakPolarHBondContact CA-O 3.36Å; T89-G239 WeakPolarHBondContact OG1-CA 3.36Å; D237-G239 PolarHBondContact O-N 3.28Å; G239-V256 PolarHBondContact N-O 2.74Å
240	G	95.9	Very high	85.7	Confident	0 Å²	0	29 Å²	29	0%	0	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-69.3	170.5	172	0	0	0	0	0	112.8	D237 S238 I255 V256	D237-G240 WeakPolarHBondContact O-CA 3.37Å; D237-G240 PolarHBondContact O-N 3.26Å; S238-G240 PolarHBondContact O-N 2.63Å; G240-I255 WeakPolarHBondContact O-CA 3.47Å; G240-V256 WeakPolarHBondContact O-CG2 3.27Å; G240-V256 PolarHBondContact O-N 2.85Å
241	P	97.1	Very high	87	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	146.5	-173.4	34.4	-34.5	0	0	0	113.7	T74 T183 F243 Q252	T74-P241 HydrophobicContact CG2-CB 3.41Å; T74-P241 VanDerWaalsContact CG2-CB 3.41Å; T74-P241 HydrophobicContact CG2-CG 3.4Å; T183-P241 WeakPolarHBondContact CA-O 3.44Å; T183-P241 PolarHBondContact OG1-O 3.37Å; P241-F243 HydrophobicContact CB-CD1 3.86Å; P241-F243 HydrophobicContact CG-CD1 3.77Å; P241-F243 HydrophobicContact CG-CE1 3.93Å; P241-Q252 HydrophobicContact CB-CG 3.9Å
242	L	96.3	Very high	88.1	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.4	149.3	-178.2	152.4	0	0	0	109	C181 F182 A204 F222 A224 Q252 Y253 G254 Y271	C181-L242 HydrophobicContact CB-CD2 3.59Å; C181-L242 HydrophobicContact CB-CG 4.07Å; F182-L242 CarbonylContact O-C 3.58Å; F182-L242 WeakPolarHBondContact O-CA 3.32Å; A204-L242 HydrophobicContact CB-CD1 4.27Å; F222-L242 HydrophobicContact CE2-CD1 4.2Å; F222-L242 HydrophobicContact CE2-CD2 4.11Å; F222-L242 HydrophobicContact CZ-CD1 4.42Å; F222-L242 HydrophobicContact CZ-CD2 3.99Å; A224-L242 HydrophobicContact CB-CD1 3.38Å; L242-Q252 CarbonylContact O-C 3.6Å; L242-Q252 WeakPolarHBondContact O-CA 3.49Å; L242-Y253 PolarHBondContact O-N 2.77Å; L242-G254 PolarHBondContact N-O 3.21Å; L242-G254 PolarHBondContact O-N 2.78Å; L242-Y271 HydrophobicContact CB-CD1 3.65Å; L242-Y271 HydrophobicContact CB-CE1 3.68Å; L242-Y271 HydrophobicContact CB-CG 4.36Å; L242-Y271 HydrophobicContact CD1-CD1 3.95Å; L242-Y271 HydrophobicContact CD1-CD2 3.95Å; L242-Y271 HydrophobicContact CD1-CE1 3.67Å; L242-Y271 HydrophobicContact CD1-CE2 3.69Å; L242-Y271 HydrophobicContact CD1-CG 4.08Å; L242-Y271 HydrophobicContact CG-CD1 4.46Å; L242-Y271 HydrophobicContact CG-CE1 4.31Å
243	F	97.1	Very high	89.3	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.4	-174	55.7	-90.1	0	0	0	112.8	L30 L51 W53 I166 C181 F182 S184 M201 P241 I250 V251	L30-F243 HydrophobicContact CD1-CD2 4.21Å; L30-F243 HydrophobicContact CD1-CE2 3.72Å; L51-F243 HydrophobicContact CD1-CZ 4.3Å; L51-F243 HydrophobicContact CD2-CE2 4.41Å; L51-F243 HydrophobicContact CD2-CZ 4.12Å; W53-F243 HydrophobicContact CZ2-CE2 4.4Å; I166-F243 HydrophobicContact CD1-CB 3.61Å; I166-F243 HydrophobicContact CD1-CD1 4.37Å; I166-F243 HydrophobicContact CD1-CG 4.08Å; C181-F243 CarbonylContact C-O 3.6Å; C181-F243 WeakPolarHBondContact CA-O 3.45Å; C181-F243 WeakPolarHBondContact CB-O 3.49Å; F182-F243 HydrophobicContact CB-CD2 4.12Å; F182-F243 HydrophobicContact CB-CE1 4.44Å; F182-F243 HydrophobicContact CB-CE2 3.6Å; F182-F243 HydrophobicContact CB-CZ 3.8Å; F182-F243 HydrophobicContact CD2-CE2 4.33Å; F182-F243 HydrophobicContact CG-CE2 4.3Å; F182-F243 PolarHBondContact N-O 2.85Å; F182-F243 PolarHBondContact O-N 3.4Å; S184-F243 WeakPolarHBondContact OG-CE1 3.42Å; M201-F243 HydrophobicContact CE-CE2 3.85Å; M201-F243 HydrophobicContact CE-CZ 3.45Å; M201-F243 VanDerWaalsContact CE-CZ 3.45Å; M201-F243 HydrophobicContact SD-CZ 4.5Å; P241-F243 HydrophobicContact CB-CD1 3.86Å; P241-F243 HydrophobicContact CG-CD1 3.77Å; P241-F243 HydrophobicContact CG-CE1 3.93Å; F243-I250 HydrophobicContact CB-CG2 3.68Å; F243-I250 HydrophobicContact CD2-CG2 3.33Å; F243-I250 HydrophobicContact CE2-CG2 4.22Å; F243-I250 HydrophobicContact CG-CG2 3.76Å; F243-V251 CarbonylContact C-O 3.51Å; F243-V251 WeakPolarHBondContact CA-O 3.39Å; F243-V251 WeakPolarHBondContact CB-O 3.29Å
244	C	96.2	Very high	90.8	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143.7	-173.4	-40.3	0	0	0	0	109.7	K179 C181 V246 V251 Y253	K179-C244 HydrophobicContact CG-CB 4.43Å; C181-C244 HydrophobicContact CB-CB 4.02Å; C181-C244 WeakPolarHBondContact CB-SG 3.2Å; C181-C244 WeakPolarHBondContact SG-CB 3.46Å; C181-C244 CovalentContact SG-SG 2.04Å; C181-C244 PolarHBondContact SG-SG 3.26Å; C244-V246 PolarHBondContact O-N 3.4Å; C244-V251 PolarHBondContact N-O 3.01Å; C244-V251 PolarHBondContact O-N 2.91Å; C244-Y253 HydrophobicContact CB-CD2 3.98Å; C244-Y253 HydrophobicContact CB-CE2 4.01Å; C244-Y253 VanDerWaalsContact SG-CD2 3.52Å
245	P	94.9	Very high	91.9	Very high	56 Å²	56	25.5 Å²	25.5	36%	0.364	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	126.9	169.8	28.2	-32	0	0	0	110.5	K179 F182 R249 I250	K179-P245 PolarHBondContact NZ-O 2.79Å; F182-P245 HydrophobicContact CE2-CG 4.48Å; P245-R249 CarbonylContact C-O 3.49Å; P245-R249 WeakPolarHBondContact CA-O 3.47Å; P245-I250 HydrophobicContact CB-CD1 4.07Å
246	V	94.5	Very high	93.3	Very high	28 Å²	28	23.9 Å²	23.9	17%	0.17	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	116.3	-178.7	-176.3	0	0	0	0	108.6	C244 G248 R249 V251 Y253	C244-V246 PolarHBondContact O-N 3.4Å; V246-G248 VanDerWaalsContact C-N 3.26Å; V246-G248 PolarHBondContact O-N 2.96Å; V246-G248 VanDerWaalsContact O-N 3.12Å; V246-R249 PolarHBondContact N-O 2.82Å; V246-R249 PolarHBondContact O-N 2.73Å; V246-R249 VanDerWaalsContact O-O 3.14Å; V246-V251 HydrophobicContact CB-CG2 3.91Å; V246-V251 HydrophobicContact CG2-CB 4.25Å; V246-V251 HydrophobicContact CG2-CG2 4.04Å; V246-Y253 HydrophobicContact CG2-CE2 3.92Å; V246-Y253 WeakPolarHBondContact CG2-OH 3.35Å
247	N	91.5	Very high	94.3	Very high	166 Å²	166	23.6 Å²	23.6	89%	0.888	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	49	42.8	173.9	-56.9	-27.5	0	0	0	114.3	R249	N247-R249 VanDerWaalsContact C-N 3.3Å; N247-R249 PolarHBondContact O-N 3.18Å
248	G	90.5	Very high	94.1	Very high	80 Å²	80	24.9 Å²	24.9	83%	0.825	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.6	1.1	-179.9	0	0	0	0	0	115.5	V246	V246-G248 VanDerWaalsContact C-N 3.26Å; V246-G248 PolarHBondContact O-N 2.96Å; V246-G248 VanDerWaalsContact O-N 3.12Å
249	R	94.2	Very high	93	Very high	76 Å²	76	25.5 Å²	25.5	29%	0.287	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	164.2	174.1	-61.2	-171.9	-176.3	-74.1	-9.2	111.6	Q22 C23 I25 P245 V246 N247	Q22-R249 VanDerWaalsContact OE1-NH1 3.12Å; C23-R249 PolarHBondContact O-NH1 3.19Å; I25-R249 HydrophobicContact CD1-CG 4.49Å; P245-R249 CarbonylContact C-O 3.49Å; P245-R249 WeakPolarHBondContact CA-O 3.47Å; V246-R249 PolarHBondContact N-O 2.82Å; V246-R249 PolarHBondContact O-N 2.73Å; V246-R249 VanDerWaalsContact O-O 3.14Å; N247-R249 VanDerWaalsContact C-N 3.3Å; N247-R249 PolarHBondContact O-N 3.18Å
250	I	96.7	Very high	91.6	Very high	15 Å²	15	29.1 Å²	29.1	8%	0.077	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.2	170.8	-55.2	-50.4	0	0	0	109.6	G24 L30 W53 I166 C167 F243 P245	G24-I250 VanDerWaalsContact CA-O 3.23Å; G24-I250 WeakPolarHBondContact CA-O 3.17Å; G24-I250 PolarHBondContact O-N 3.1Å; L30-I250 HydrophobicContact CD1-CD1 3.46Å; L30-I250 VanDerWaalsContact CD1-CD1 3.46Å; L30-I250 HydrophobicContact CD1-CG1 3.99Å; L30-I250 HydrophobicContact CG-CD1 4.25Å; W53-I250 HydrophobicContact CH2-CB 3.68Å; W53-I250 HydrophobicContact CH2-CG1 3.67Å; W53-I250 HydrophobicContact CH2-CG2 3.84Å; W53-I250 HydrophobicContact CZ2-CB 4.1Å; W53-I250 HydrophobicContact CZ2-CG1 4.26Å; W53-I250 HydrophobicContact CZ2-CG2 3.7Å; W53-I250 HydrophobicContact CZ3-CB 4.31Å; I166-I250 HydrophobicContact CD1-CG2 3.88Å; I166-I250 HydrophobicContact CG1-CG2 4.28Å; C167-I250 WeakPolarHBondContact CB-O 3.41Å; C167-I250 PolarHBondContact N-O 2.03Å; F243-I250 HydrophobicContact CB-CG2 3.68Å; F243-I250 HydrophobicContact CD2-CG2 3.33Å; F243-I250 HydrophobicContact CE2-CG2 4.22Å; F243-I250 HydrophobicContact CG-CG2 3.76Å; P245-I250 HydrophobicContact CB-CD1 4.07Å
251	V	97.9	Very high	90.1	Very high	13 Å²	13	30.4 Å²	30.4	8%	0.079	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.6	-178.9	-177.3	0	0	0	0	109.1	C167 P169 F243 C244 V246 Y253	C167-V251 HydrophobicContact CB-CB 4.44Å; C167-V251 HydrophobicContact CB-CG2 3.95Å; C167-V251 WeakPolarHBondContact O-CA 3.14Å; P169-V251 HydrophobicContact CB-CG1 4.01Å; F243-V251 CarbonylContact C-O 3.51Å; F243-V251 WeakPolarHBondContact CA-O 3.39Å; F243-V251 WeakPolarHBondContact CB-O 3.29Å; C244-V251 PolarHBondContact N-O 3.01Å; C244-V251 PolarHBondContact O-N 2.91Å; V246-V251 HydrophobicContact CB-CG2 3.91Å; V246-V251 HydrophobicContact CG2-CB 4.25Å; V246-V251 HydrophobicContact CG2-CG2 4.04Å; V251-Y253 HydrophobicContact CB-CD2 4.27Å; V251-Y253 HydrophobicContact CB-CE2 3.7Å; V251-Y253 HydrophobicContact CG1-CD2 4.08Å; V251-Y253 HydrophobicContact CG1-CE1 4.48Å; V251-Y253 HydrophobicContact CG1-CE2 3.64Å
252	Q	98.1	Very high	88.8	Confident	0 Å²	0	31 Å²	31	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	122.2	173	-173.3	173.2	-13.1	0	0	109.5	T74 I166 C167 P169 P241 L242 G254 L274	T74-Q252 PolarHBondContact OG1-OE1 2.98Å; I166-Q252 HydrophobicContact CD1-CB 3.76Å; I166-Q252 HydrophobicContact CG1-CB 4.07Å; I166-Q252 HydrophobicContact CG2-CB 3.98Å; C167-Q252 PolarHBondContact O-N 3.42Å; P169-Q252 WeakPolarHBondContact CD-O 3.32Å; P169-Q252 WeakPolarHBondContact CG-O 3.4Å; P241-Q252 HydrophobicContact CB-CG 3.9Å; L242-Q252 CarbonylContact O-C 3.6Å; L242-Q252 WeakPolarHBondContact O-CA 3.49Å; Q252-G254 VanDerWaalsContact CG-O 3.3Å; Q252-G254 WeakPolarHBondContact CG-O 3.45Å; Q252-G254 PolarHBondContact NE2-O 3.21Å; Q252-L274 HydrophobicContact CB-CD2 4.1Å; Q252-L274 HydrophobicContact CG-CD2 3.87Å
253	Y	97.9	Very high	87.6	Confident	10 Å²	10	31.5 Å²	31.5	4%	0.039	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	-21	174.1	-73.2	-89.6	0	0	0	112.9	P169 E173 L175 F222 L242 C244 V246 V251 L274	P169-Y253 HydrophobicContact CB-CD1 3.84Å; P169-Y253 HydrophobicContact CB-CE1 3.74Å; P169-Y253 HydrophobicContact CG-CD1 4.48Å; E173-Y253 VanDerWaalsContact CD-OH 3.28Å; E173-Y253 HydrophobicContact CG-CE1 4.16Å; E173-Y253 PolarHBondContact OE1-OH 3.23Å; L175-Y253 HydrophobicContact CB-CD1 4.17Å; L175-Y253 HydrophobicContact CD1-CD1 3.98Å; L175-Y253 HydrophobicContact CD1-CD2 3.91Å; L175-Y253 HydrophobicContact CD1-CE1 4.16Å; L175-Y253 HydrophobicContact CD1-CE2 4.06Å; L175-Y253 HydrophobicContact CD1-CG 3.84Å; L175-Y253 HydrophobicContact CD2-CD1 4.45Å; L175-Y253 HydrophobicContact CD2-CG 4.11Å; L175-Y253 HydrophobicContact CG-CD1 4.43Å; L175-Y253 HydrophobicContact CG-CG 4.42Å; F222-Y253 WeakPolarHBondContact CE1-O 2.95Å; L242-Y253 PolarHBondContact O-N 2.77Å; C244-Y253 HydrophobicContact CB-CD2 3.98Å; C244-Y253 HydrophobicContact CB-CE2 4.01Å; C244-Y253 VanDerWaalsContact SG-CD2 3.52Å; V246-Y253 HydrophobicContact CG2-CE2 3.92Å; V246-Y253 WeakPolarHBondContact CG2-OH 3.35Å; V251-Y253 HydrophobicContact CB-CD2 4.27Å; V251-Y253 HydrophobicContact CB-CE2 3.7Å; V251-Y253 HydrophobicContact CG1-CD2 4.08Å; V251-Y253 HydrophobicContact CG1-CE1 4.48Å; V251-Y253 HydrophobicContact CG1-CE2 3.64Å; Y253-L274 WeakPolarHBondContact O-CB 3.26Å; Y253-L274 PolarHBondContact O-N 2.95Å
254	G	96.4	Very high	86.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	156.2	-177.2	0	0	0	0	0	113.9	L242 Q252 T272	L242-G254 PolarHBondContact N-O 3.21Å; L242-G254 PolarHBondContact O-N 2.78Å; Q252-G254 VanDerWaalsContact CG-O 3.3Å; Q252-G254 WeakPolarHBondContact CG-O 3.45Å; Q252-G254 PolarHBondContact NE2-O 3.21Å; G254-T272 VanDerWaalsContact CA-O 3.32Å; G254-T272 WeakPolarHBondContact CA-O 3.36Å
255	I	95.8	Very high	86.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127.2	164.8	-55.5	170.9	0	0	0	106.3	L88 A90 I148 G240 S257 Y271 T272 L274	L88-I255 HydrophobicContact CD1-CD1 3.91Å; L88-I255 HydrophobicContact CD2-CD1 4.08Å; L88-I255 HydrophobicContact CD2-CG1 4.37Å; L88-I255 HydrophobicContact CG-CD1 3.91Å; L88-I255 HydrophobicContact CG-CG1 4.47Å; A90-I255 HydrophobicContact CB-CG2 4.02Å; I148-I255 HydrophobicContact CB-CD1 4.14Å; I148-I255 HydrophobicContact CD1-CD1 3.86Å; I148-I255 HydrophobicContact CG1-CD1 3.61Å; G240-I255 WeakPolarHBondContact O-CA 3.47Å; I255-S257 PolarHBondContact O-N 3.47Å; I255-S257 VanDerWaalsContact O-N 3.13Å; I255-Y271 CarbonylContact O-C 3.52Å; I255-Y271 WeakPolarHBondContact O-CA 3.25Å; I255-T272 PolarHBondContact N-O 2.82Å; I255-T272 PolarHBondContact O-N 2.95Å; I255-L274 HydrophobicContact CD1-CD1 4.19Å
256	V	93.4	Very high	85.6	Confident	13 Å²	13	45 Å²	45	8%	0.079	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	115.8	177.5	177.9	0	0	0	0	108.5	A233 D237 G239 G240 Y271	A233-V256 HydrophobicContact CB-CG1 4.02Å; A233-V256 HydrophobicContact CB-CG2 4.14Å; D237-V256 HydrophobicContact CB-CG1 4.47Å; D237-V256 WeakPolarHBondContact O-CB 3.34Å; G239-V256 PolarHBondContact N-O 2.74Å; G240-V256 WeakPolarHBondContact O-CG2 3.27Å; G240-V256 PolarHBondContact O-N 2.85Å; V256-Y271 HydrophobicContact CB-CE1 4.41Å; V256-Y271 HydrophobicContact CG2-CD1 4.18Å; V256-Y271 HydrophobicContact CG2-CE1 3.72Å
257	S	88.6	Confident	85.1	Confident	6 Å²	6	46.4 Å²	46.4	4%	0.042	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	-72.8	-176	178.4	0	0	0	0	110.7	H92 D147 I255 E270	H92-S257 PolarHBondContact CE1-O 3.42Å; D147-S257 WeakPolarHBondContact OD2-CA 3.14Å; D147-S257 VanDerWaalsContact OD2-CB 3.22Å; D147-S257 WeakPolarHBondContact OD2-CB 3.47Å; D147-S257 PolarHBondContact OD2-OG 2.88Å; I255-S257 PolarHBondContact O-N 3.47Å; I255-S257 VanDerWaalsContact O-N 3.13Å; S257-E270 PolarHBondContact N-O 2.81Å
258	Q	78.2	Confident	84.9	Confident	33 Å²	33	38.8 Å²	38.8	15%	0.154	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	168.8	-174.2	63.3	176.7	39	0	0	112	I144 E270	I144-Q258 VanDerWaalsContact CG1-OE1 3.29Å; Q258-E270 HydrophobicContact CG-CB 3.95Å; Q258-E270 HydrophobicContact CG-CG 4.45Å; Q258-E270 WeakPolarHBondContact CG-OE2 3.26Å; Q258-E270 PolarHBondContact N-O 3.07Å; Q258-E270 PolarHBondContact NE2-OE2 3.49Å; Q258-E270 WeakPolarHBondContact O-CA 3.18Å; Q258-E270 WeakPolarHBondContact O-CB 3.17Å; Q258-E270 PolarHBondContact O-N 2.93Å
259	G	67.6	Low	84.8	Confident	40 Å²	40	35.1 Å²	35.1	41%	0.412	18%	0.182	S	C	.	.			trans	-166.5	156.4	174.6	0	0	0	0	0	110.1	G261	G259-G261 PolarHBondContact O-N 2.79Å
260	E	64.9	Low	84.6	Confident	76 Å²	76	31.6 Å²	31.6	36%	0.355	17%	0.169	S	C	.	.	S	Bend	trans	-90.7	94.6	173.2	-160.8	-166.6	140.2	0	0	110.1	R264 M267	E260-R264 WeakPolarHBondContact O-CD 3.45Å; E260-R264 IonicContact OE1-NH1 2.76Å; E260-R264 PolarHBondContact OE1-NH1 2.96Å; E260-M267 WeakPolarHBondContact OE2-CE 3.24Å
261	G	65.4	Low	84.4	Confident	27 Å²	27	31 Å²	31	28%	0.278	17%	0.166	S	C	.	.	S	Bend	trans	69.8	-161.4	-167.1	0	0	0	0	0	111.2	E191 G259	E191-G261 WeakPolarHBondContact OE1-CA 3.46Å; G259-G261 PolarHBondContact O-N 2.79Å
262	C	69.3	Low	84.2	Confident	11 Å²	11	30.4 Å²	30.4	7%	0.074	16%	0.162	C	C	.	.	S	Bend	trans	-128	124.6	176.4	-52.7	0	0	0	0	109.2	E191 C234 R264	E191-C262 HydrophobicContact CB-CB 4.22Å; E191-C262 HydrophobicContact CG-CB 4.27Å; C234-C262 WeakPolarHBondContact CA-SG 3.3Å; C234-C262 HydrophobicContact CB-CB 3.65Å; C234-C262 WeakPolarHBondContact CB-SG 3.14Å; C234-C262 WeakPolarHBondContact SG-CB 3.47Å; C234-C262 CovalentContact SG-SG 2.02Å; C234-C262 PolarHBondContact SG-SG 3.03Å; C262-R264 VanDerWaalsContact C-N 3.27Å; C262-R264 PolarHBondContact O-N 2.64Å
263	A	70.3	Confident	84.1	Confident	11 Å²	11	32.4 Å²	32.4	9%	0.091	17%	0.171	C	C	.	.	S	Bend	trans	62.4	32	173	0	0	0	0	0	114.3	V41 G229 G230 D232	V41-A263 HydrophobicContact CB-CB 3.48Å; V41-A263 VanDerWaalsContact CB-CB 3.48Å; V41-A263 HydrophobicContact CG1-CB 3.53Å; V41-A263 HydrophobicContact CG2-CB 3.77Å; G229-A263 CarbonylContact C-O 3.58Å; G229-A263 WeakPolarHBondContact CA-O 3.34Å; G230-A263 PolarHBondContact N-O 2.86Å; D232-A263 HydrophobicContact CB-CB 3.63Å; D232-A263 PolarHBondContact OD2-N 3.11Å
264	R	78.4	Confident	84	Confident	102 Å²	102	31.9 Å²	31.9	39%	0.385	17%	0.169	S	C	.	.			trans	-74.7	147.1	172.1	-64.3	-173.9	-174.4	167.7	3.2	109.9	E191 E260 C262 N266 M267	E191-R264 IonicContact OE1-CZ 3.04Å; E191-R264 VanDerWaalsContact OE1-CZ 3.23Å; E191-R264 IonicContact OE1-NE 2.91Å; E191-R264 PolarHBondContact OE1-NE 3.29Å; E191-R264 IonicContact OE1-NH2 2.64Å; E191-R264 PolarHBondContact OE1-NH2 2.98Å; E191-R264 IonicContact OE2-NE 3.28Å; E260-R264 WeakPolarHBondContact O-CD 3.45Å; E260-R264 IonicContact OE1-NH1 2.76Å; E260-R264 PolarHBondContact OE1-NH1 2.96Å; C262-R264 VanDerWaalsContact C-N 3.27Å; C262-R264 PolarHBondContact O-N 2.64Å; R264-N266 PolarHBondContact O-N 3.06Å; R264-M267 HydrophobicContact CB-CB 3.97Å; R264-M267 HydrophobicContact CB-CG 4.14Å; R264-M267 PolarHBondContact O-N 3.43Å
265	K	83.8	Confident	84	Confident	150 Å²	150	32 Å²	32	65%	0.652	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	136.3	177	-173.7	-179.4	179.1	179.1	0	110	L227 M267	L227-K265 WeakPolarHBondContact O-CG 2.98Å; K265-M267 PolarHBondContact O-N 2.85Å
266	N	83.4	Confident	84	Confident	87 Å²	87	36.5 Å²	36.5	47%	0.465	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	14.6	-177.7	-58.4	-34.5	0	0	0	115.6	L227 R264 P268	L227-N266 PolarHBondContact O-N 2.99Å; R264-N266 PolarHBondContact O-N 3.06Å; N266-P268 WeakPolarHBondContact O-CD 3.03Å
267	M	84.6	Confident	84	Confident	59 Å²	59	36.5 Å²	36.5	29%	0.291	19%	0.188	S	C	.	.			trans	-123.7	77.6	179.3	-62.3	-61.9	-164.4	0	0	109	V213 E260 R264 K265	V213-M267 HydrophobicContact CG2-SD 4.13Å; E260-M267 WeakPolarHBondContact OE2-CE 3.24Å; R264-M267 HydrophobicContact CB-CB 3.97Å; R264-M267 HydrophobicContact CB-CG 4.14Å; R264-M267 PolarHBondContact O-N 3.43Å; K265-M267 PolarHBondContact O-N 2.85Å
268	P	88	Confident	84.3	Confident	5 Å²	5	37.1 Å²	37.1	3%	0.032	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-65.3	156	173.4	30.4	-35.6	0	0	0	111	Q207 Y211 C223 A224 L227 N266	Q207-P268 HydrophobicContact CB-CG 4.5Å; Q207-P268 HydrophobicContact CG-CB 4.12Å; Q207-P268 HydrophobicContact CG-CG 4.37Å; Y211-P268 WeakPolarHBondContact O-CD 3.39Å; Y211-P268 WeakPolarHBondContact O-CG 3.24Å; C223-P268 HydrophobicContact CB-CB 4.04Å; C223-P268 HydrophobicContact CB-CG 3.68Å; A224-P268 WeakPolarHBondContact O-CB 3.34Å; L227-P268 HydrophobicContact CD2-CG 4.42Å; N266-P268 WeakPolarHBondContact O-CD 3.03Å
269	G	88.4	Confident	85.1	Confident	3 Å²	3	38.2 Å²	38.2	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	147.7	171.5	0	0	0	0	0	111.8	C223 A224 Y271	C223-G269 VanDerWaalsContact CA-O 3.29Å; C223-G269 WeakPolarHBondContact CA-O 3.36Å; A224-G269 PolarHBondContact N-O 3.34Å; A224-G269 VanDerWaalsContact N-O 3.1Å; A224-G269 PolarHBondContact O-N 2.95Å; A224-G269 VanDerWaalsContact O-N 3.1Å; G269-Y271 WeakPolarHBondContact O-CD2 3.28Å; G269-Y271 VanDerWaalsContact O-CE2 3.25Å; G269-Y271 WeakPolarHBondContact O-CE2 3.24Å
270	E	90	Very high	86.3	Confident	3 Å²	3	38.5 Å²	38.5	1%	0.014	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	134.8	175.9	-58.4	-164.2	145.8	0	0	111	V213 N214 V221 S257 Q258	V213-E270 WeakPolarHBondContact CA-OE1 3.44Å; V213-E270 PolarHBondContact N-OE1 3.21Å; N214-E270 PolarHBondContact N-OE1 3.34Å; V221-E270 HydrophobicContact CG1-CB 3.99Å; S257-E270 PolarHBondContact N-O 2.81Å; Q258-E270 HydrophobicContact CG-CB 3.95Å; Q258-E270 HydrophobicContact CG-CG 4.45Å; Q258-E270 WeakPolarHBondContact CG-OE2 3.26Å; Q258-E270 PolarHBondContact N-O 3.07Å; Q258-E270 PolarHBondContact NE2-OE2 3.49Å; Q258-E270 WeakPolarHBondContact O-CA 3.18Å; Q258-E270 WeakPolarHBondContact O-CB 3.17Å; Q258-E270 PolarHBondContact O-N 2.93Å
271	Y	92.6	Very high	87.7	Confident	1 Å²	1	35 Å²	35	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.9	-174.6	-58.7	-95.7	0	0	0	110.7	V221 F222 A224 L242 I255 V256 G269 K273	V221-Y271 WeakPolarHBondContact CA-O 3.48Å; F222-Y271 WeakPolarHBondContact CD1-O 3.29Å; F222-Y271 HydrophobicContact CE2-CD2 4.38Å; F222-Y271 HydrophobicContact CE2-CG 4.47Å; F222-Y271 HydrophobicContact CZ-CG 4.2Å; F222-Y271 PolarHBondContact N-O 3.18Å; F222-Y271 PolarHBondContact O-N 3.26Å; A224-Y271 HydrophobicContact CB-CD2 4.12Å; A224-Y271 HydrophobicContact CB-CE2 3.7Å; L242-Y271 HydrophobicContact CB-CD1 3.65Å; L242-Y271 HydrophobicContact CB-CE1 3.68Å; L242-Y271 HydrophobicContact CB-CG 4.36Å; L242-Y271 HydrophobicContact CD1-CD1 3.95Å; L242-Y271 HydrophobicContact CD1-CD2 3.95Å; L242-Y271 HydrophobicContact CD1-CE1 3.67Å; L242-Y271 HydrophobicContact CD1-CE2 3.69Å; L242-Y271 HydrophobicContact CD1-CG 4.08Å; L242-Y271 HydrophobicContact CG-CD1 4.46Å; L242-Y271 HydrophobicContact CG-CE1 4.31Å; I255-Y271 CarbonylContact O-C 3.52Å; I255-Y271 WeakPolarHBondContact O-CA 3.25Å; V256-Y271 HydrophobicContact CB-CE1 4.41Å; V256-Y271 HydrophobicContact CG2-CD1 4.18Å; V256-Y271 HydrophobicContact CG2-CE1 3.72Å; G269-Y271 WeakPolarHBondContact O-CD2 3.28Å; G269-Y271 VanDerWaalsContact O-CE2 3.25Å; G269-Y271 WeakPolarHBondContact O-CE2 3.24Å; Y271-K273 PolarHBondContact O-N 2.68Å
272	T	93.8	Very high	88.9	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	124.3	168.4	-55.4	0	0	0	0	109.2	D147 I148 G254 I255 L274 F277	D147-T272 PolarHBondContact O-OG1 2.85Å; I148-T272 HydrophobicContact CB-CG2 4.4Å; G254-T272 VanDerWaalsContact CA-O 3.32Å; G254-T272 WeakPolarHBondContact CA-O 3.36Å; I255-T272 PolarHBondContact N-O 2.82Å; I255-T272 PolarHBondContact O-N 2.95Å; T272-L274 PolarHBondContact O-N 3.19Å; T272-L274 VanDerWaalsContact O-N 3.09Å; T272-F277 HydrophobicContact CG2-CD2 3.7Å; T272-F277 HydrophobicContact CG2-CE2 3.35Å; T272-F277 HydrophobicContact CG2-CZ 4.02Å
273	K	94.8	Very high	90	Very high	41 Å²	41	40.4 Å²	40.4	18%	0.178	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	92.2	-177.4	-171.1	174	-74.9	166	0	110.7	R218 I220 V221 F222 Y271 S275 K276 F277	R218-K273 PolarHBondContact O-NZ 2.81Å; I220-K273 WeakPolarHBondContact O-CB 3.35Å; I220-K273 PolarHBondContact O-N 2.95Å; V221-K273 WeakPolarHBondContact O-CE 3.19Å; V221-K273 PolarHBondContact O-NZ 2.82Å; F222-K273 HydrophobicContact CD1-CB 3.86Å; F222-K273 HydrophobicContact CD1-CG 4.15Å; F222-K273 HydrophobicContact CE1-CB 4.44Å; Y271-K273 PolarHBondContact O-N 2.68Å; K273-S275 VanDerWaalsContact C-N 3.27Å; K273-S275 PolarHBondContact O-N 3.41Å; K273-S275 VanDerWaalsContact O-N 3.15Å; K273-K276 HydrophobicContact CB-CG 4.24Å; K273-K276 HydrophobicContact CD-CG 3.74Å; K273-K276 HydrophobicContact CG-CG 3.89Å; K273-K276 WeakPolarHBondContact O-CB 3.34Å; K273-K276 PolarHBondContact O-N 3.42Å; K273-F277 WeakPolarHBondContact O-CD2 2.9Å
274	L	96.4	Very high	91	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-59.8	-32.8	-168.4	-169.9	54.5	0	0	0	114.1	L88 I148 L168 P169 Q252 Y253 I255 T272 K276 F277 V278 L281	L88-L274 HydrophobicContact CD2-CD1 3.84Å; L88-L274 HydrophobicContact CD2-CD2 3.64Å; L88-L274 HydrophobicContact CD2-CG 4.42Å; I148-L274 HydrophobicContact CD1-CD1 3.81Å; L168-L274 HydrophobicContact CD2-CD2 3.78Å; P169-L274 HydrophobicContact CG-CB 4.12Å; P169-L274 HydrophobicContact CG-CD2 4.49Å; P169-L274 HydrophobicContact CG-CG 4.14Å; Q252-L274 HydrophobicContact CB-CD2 4.1Å; Q252-L274 HydrophobicContact CG-CD2 3.87Å; Y253-L274 WeakPolarHBondContact O-CB 3.26Å; Y253-L274 PolarHBondContact O-N 2.95Å; I255-L274 HydrophobicContact CD1-CD1 4.19Å; T272-L274 PolarHBondContact O-N 3.19Å; T272-L274 VanDerWaalsContact O-N 3.09Å; L274-K276 PolarHBondContact O-N 2.92Å; L274-K276 VanDerWaalsContact O-N 3.11Å; L274-F277 PolarHBondContact O-N 3.15Å; L274-V278 PolarHBondContact O-N 3.23Å; L274-L281 HydrophobicContact CD1-CD1 3.89Å
275	S	96.8	Very high	91.6	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.021	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-60.5	-22.3	177.1	61.8	0	0	0	0	113.6	E170 D172 E173 K273	E170-S275 WeakPolarHBondContact O-CB 3.38Å; D172-S275 PolarHBondContact N-O 2.66Å; E173-S275 WeakPolarHBondContact O-CB 3.49Å; E173-S275 PolarHBondContact O-OG 2.63Å; K273-S275 VanDerWaalsContact C-N 3.27Å; K273-S275 PolarHBondContact O-N 3.41Å; K273-S275 VanDerWaalsContact O-N 3.15Å
276	K	95.1	Very high	92	Very high	94 Å²	94	33.9 Å²	33.9	41%	0.409	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-82.2	-14	175.2	-62.5	-73.6	172.3	-166.6	0	113.6	D172 G219 I220 K273 L274	D172-K276 WeakPolarHBondContact OD1-CD 3.35Å; D172-K276 IonicContact OD1-NZ 3.86Å; D172-K276 PolarHBondContact OD1-NZ 2.84Å; G219-K276 WeakPolarHBondContact O-CD 3.24Å; G219-K276 VanDerWaalsContact O-CG 3.3Å; G219-K276 WeakPolarHBondContact O-CG 3.43Å; I220-K276 HydrophobicContact CG2-CB 4.18Å; K273-K276 HydrophobicContact CB-CG 4.24Å; K273-K276 HydrophobicContact CD-CG 3.74Å; K273-K276 HydrophobicContact CG-CG 3.89Å; K273-K276 WeakPolarHBondContact O-CB 3.34Å; K273-K276 PolarHBondContact O-N 3.42Å; L274-K276 PolarHBondContact O-N 2.92Å; L274-K276 VanDerWaalsContact O-N 3.11Å
277	F	94.8	Very high	92.1	Very high	12 Å²	12	35.9 Å²	35.9	5%	0.053	18%	0.177	C	C	.	.	S	Bend	trans	-109.2	7.7	-177.8	-66.1	-87	0	0	0	113.5	A145 E146 I148 I220 T272 K273 L274 T279 W280 L281	A145-F277 WeakPolarHBondContact O-CZ 3.26Å; E146-F277 HydrophobicContact CB-CE1 4.21Å; E146-F277 HydrophobicContact CG-CE1 4.03Å; E146-F277 HydrophobicContact CG-CZ 4.45Å; I148-F277 HydrophobicContact CD1-CB 3.64Å; I148-F277 HydrophobicContact CD1-CD1 4.42Å; I148-F277 HydrophobicContact CD1-CG 3.99Å; I148-F277 HydrophobicContact CG2-CD1 3.79Å; I148-F277 HydrophobicContact CG2-CE1 3.99Å; I148-F277 HydrophobicContact CG2-CG 4.31Å; I220-F277 HydrophobicContact CB-CE2 4.08Å; I220-F277 HydrophobicContact CB-CZ 4.14Å; I220-F277 HydrophobicContact CG2-CE2 4.23Å; I220-F277 HydrophobicContact CG2-CZ 4.15Å; T272-F277 HydrophobicContact CG2-CD2 3.7Å; T272-F277 HydrophobicContact CG2-CE2 3.35Å; T272-F277 HydrophobicContact CG2-CZ 4.02Å; K273-F277 WeakPolarHBondContact O-CD2 2.9Å; L274-F277 PolarHBondContact O-N 3.15Å; F277-T279 PolarHBondContact O-N 2.98Å; F277-W280 HydrophobicContact CB-CB 4.35Å; F277-W280 HydrophobicContact CD1-CB 4.29Å; F277-W280 HydrophobicContact CD1-CG 4.39Å; F277-W280 CarbonylContact O-C 3.59Å; F277-W280 WeakPolarHBondContact O-CA 3.23Å; F277-W280 WeakPolarHBondContact O-CB 3.45Å; F277-W280 PolarHBondContact O-N 3.33Å; F277-L281 WeakPolarHBondContact O-CG 3.42Å; F277-L281 PolarHBondContact O-N 3Å
278	V	94.8	Very high	92.3	Very high	19 Å²	19	33.4 Å²	33.4	12%	0.115	16%	0.164	C	C	.	.	H	α-helix	trans	-57.6	-48.7	179.5	176.5	0	0	0	0	111.8	P169 K171 L274 W280 L281 E282	P169-V278 WeakPolarHBondContact O-CG2 3.47Å; K171-V278 HydrophobicContact CB-CB 4.11Å; K171-V278 HydrophobicContact CB-CG1 4.19Å; L274-V278 PolarHBondContact O-N 3.23Å; V278-W280 VanDerWaalsContact C-N 3.27Å; V278-W280 PolarHBondContact O-N 3.07Å; V278-L281 WeakPolarHBondContact O-CB 3.27Å; V278-L281 PolarHBondContact O-N 2.89Å; V278-L281 VanDerWaalsContact O-N 3.15Å; V278-E282 WeakPolarHBondContact O-CG 3.3Å; V278-E282 PolarHBondContact O-N 2.02Å
279	T	93.5	Very high	91.8	Very high	57 Å²	57	37.6 Å²	37.6	35%	0.35	19%	0.192	S	C	.	.	H	α-helix	trans	-63.7	-34.1	175.9	-60.8	0	0	0	0	112.4	K171 F277 S283	K171-T279 WeakPolarHBondContact CD-OG1 3.48Å; K171-T279 WeakPolarHBondContact CE-OG1 3.38Å; K171-T279 PolarHBondContact NZ-OG1 3Å; F277-T279 PolarHBondContact O-N 2.98Å; T279-S283 WeakPolarHBondContact O-CB 3.34Å; T279-S283 PolarHBondContact O-N 3.47Å; T279-S283 VanDerWaalsContact O-N 3.12Å; T279-S283 PolarHBondContact O-OG 3.34Å
280	W	93.3	Very high	91.3	Very high	46 Å²	46	39.9 Å²	39.9	17%	0.174	21%	0.207	C	C	.	.	H	α-helix	trans	-64.5	-45.2	173.8	175.2	94.9	0	0	0	110.6	F134 I148 L150 F277 V278 S283 S284	F134-W280 HydrophobicContact CD1-CH2 4.19Å; F134-W280 AromaticContact CD1-CZ2 3.68Å; F134-W280 HydrophobicContact CD1-CZ2 3.68Å; F134-W280 AromaticContact CE1-CZ2 3.79Å; F134-W280 HydrophobicContact CE1-CZ2 3.79Å; I148-W280 HydrophobicContact CB-CH2 4.47Å; I148-W280 HydrophobicContact CB-CZ3 4.36Å; I148-W280 HydrophobicContact CD1-CE3 3.74Å; I148-W280 HydrophobicContact CD1-CH2 4.45Å; I148-W280 HydrophobicContact CD1-CZ3 3.56Å; I148-W280 HydrophobicContact CG1-CE3 4.17Å; I148-W280 HydrophobicContact CG1-CH2 3.99Å; I148-W280 HydrophobicContact CG1-CZ3 3.55Å; I148-W280 HydrophobicContact CG2-CD2 4.32Å; I148-W280 HydrophobicContact CG2-CE3 4.15Å; I148-W280 HydrophobicContact CG2-CH2 3.98Å; I148-W280 HydrophobicContact CG2-CZ2 4.12Å; I148-W280 HydrophobicContact CG2-CZ3 3.98Å; L150-W280 HydrophobicContact CD1-CZ3 4.37Å; L150-W280 HydrophobicContact CG-CH2 4.21Å; L150-W280 HydrophobicContact CG-CZ3 4.15Å; F277-W280 HydrophobicContact CB-CB 4.35Å; F277-W280 HydrophobicContact CD1-CB 4.29Å; F277-W280 HydrophobicContact CD1-CG 4.39Å; F277-W280 CarbonylContact O-C 3.59Å; F277-W280 WeakPolarHBondContact O-CA 3.23Å; F277-W280 WeakPolarHBondContact O-CB 3.45Å; F277-W280 PolarHBondContact O-N 3.33Å; V278-W280 VanDerWaalsContact C-N 3.27Å; V278-W280 PolarHBondContact O-N 3.07Å; W280-S283 PolarHBondContact O-N 2.73Å; W280-S284 VanDerWaalsContact CE2-OG 3.23Å; W280-S284 WeakPolarHBondContact O-CB 3.47Å; W280-S284 PolarHBondContact O-N 2.76Å; W280-S284 PolarHBondContact O-OG 3.35Å
281	L	93.6	Very high	90.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-58.5	-51.5	176.8	-72.7	170.2	0	0	0	111.4	I76 M78 L88 I148 L150 L168 L274 F277 V278 S283 S284 V285	I76-L281 HydrophobicContact CD1-CD2 4.48Å; M78-L281 HydrophobicContact CE-CB 4.03Å; M78-L281 HydrophobicContact SD-CB 4.46Å; L88-L281 HydrophobicContact CD1-CD2 3.83Å; I148-L281 HydrophobicContact CD1-CD2 4.24Å; I148-L281 HydrophobicContact CD1-CG 4.49Å; L150-L281 HydrophobicContact CD1-CD2 4.16Å; L150-L281 HydrophobicContact CD2-CD2 3.77Å; L150-L281 HydrophobicContact CG-CD2 4.12Å; L168-L281 HydrophobicContact CD1-CD1 4.11Å; L168-L281 HydrophobicContact CD2-CD1 4.39Å; L274-L281 HydrophobicContact CD1-CD1 3.89Å; F277-L281 WeakPolarHBondContact O-CG 3.42Å; F277-L281 PolarHBondContact O-N 3Å; V278-L281 WeakPolarHBondContact O-CB 3.27Å; V278-L281 PolarHBondContact O-N 2.89Å; V278-L281 VanDerWaalsContact O-N 3.15Å; L281-S283 PolarHBondContact O-N 2.86Å; L281-S284 PolarHBondContact O-N 2.85Å; L281-V285 WeakPolarHBondContact O-CG2 3.31Å; L281-V285 PolarHBondContact O-N 3.39Å
282	E	92.4	Very high	89.8	Confident	93 Å²	93	43.2 Å²	43.2	44%	0.435	23%	0.227	S	C	.	.	H	α-helix	trans	-58.7	-32.1	179	-69.4	174.7	159.1	0	0	113.3	M78 V278 K286	M78-E282 HydrophobicContact CE-CG 4.02Å; V278-E282 WeakPolarHBondContact O-CG 3.3Å; V278-E282 PolarHBondContact O-N 2.02Å; E282-K286 WeakPolarHBondContact O-CD 3.32Å; E282-K286 VanDerWaalsContact O-CE 3.28Å; E282-K286 WeakPolarHBondContact O-CE 3.38Å; E282-K286 WeakPolarHBondContact O-CG 3.36Å; E282-K286 PolarHBondContact O-NZ 3.37Å
283	S	92	Very high	88	Confident	60 Å²	60	51.8 Å²	51.8	42%	0.42	26%	0.264	S	S	.	.	H	α-helix	trans	-82.6	-38.6	178.7	-57.9	0	0	0	0	111.8	T279 W280 L281 K286	T279-S283 WeakPolarHBondContact O-CB 3.34Å; T279-S283 PolarHBondContact O-N 3.47Å; T279-S283 VanDerWaalsContact O-N 3.12Å; T279-S283 PolarHBondContact O-OG 3.34Å; W280-S283 PolarHBondContact O-N 2.73Å; L281-S283 PolarHBondContact O-N 2.86Å; S283-K286 PolarHBondContact O-N 3.44Å
284	S	91.4	Very high	86.1	Confident	3 Å²	3	58 Å²	58	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-68.2	-41.6	-177.5	-61.2	0	0	0	0	111.9	F134 W280 L281 K286 Q287	F134-S284 VanDerWaalsContact CD1-CB 3.42Å; F134-S284 WeakPolarHBondContact CD1-OG 3.47Å; F134-S284 VanDerWaalsContact CE1-CB 3.43Å; F134-S284 WeakPolarHBondContact CE1-OG 3.35Å; W280-S284 VanDerWaalsContact CE2-OG 3.23Å; W280-S284 WeakPolarHBondContact O-CB 3.47Å; W280-S284 PolarHBondContact O-N 2.76Å; W280-S284 PolarHBondContact O-OG 3.35Å; L281-S284 PolarHBondContact O-N 2.85Å; S284-K286 PolarHBondContact O-N 3.4Å; S284-Q287 WeakPolarHBondContact O-CB 3.23Å; S284-Q287 WeakPolarHBondContact O-CG 3.47Å; S284-Q287 PolarHBondContact O-N 3.17Å
285	V	91.5	Very high	83.9	Confident	7 Å²	7	61.1 Å²	61.1	4%	0.042	32%	0.315	C	S	.	.	H	α-helix	trans	-60.6	-35.6	-179.8	173.2	0	0	0	0	111.4	M78 L86 L150 L281 Q287 F288 Y291	M78-V285 HydrophobicContact CB-CG1 4.16Å; M78-V285 HydrophobicContact CB-CG2 4.21Å; M78-V285 HydrophobicContact CE-CG2 4.18Å; M78-V285 HydrophobicContact CG-CG2 3.7Å; M78-V285 HydrophobicContact SD-CG2 4.49Å; L86-V285 HydrophobicContact CD1-CG1 4.06Å; L86-V285 HydrophobicContact CD1-CG2 4Å; L150-V285 HydrophobicContact CD1-CG2 3.72Å; L281-V285 WeakPolarHBondContact O-CG2 3.31Å; L281-V285 PolarHBondContact O-N 3.39Å; V285-Q287 PolarHBondContact O-N 2.79Å; V285-Q287 VanDerWaalsContact O-N 3.13Å; V285-F288 WeakPolarHBondContact O-CB 3.14Å; V285-F288 PolarHBondContact O-N 2.9Å; V285-Y291 HydrophobicContact CG1-CD1 3.33Å; V285-Y291 HydrophobicContact CG1-CD2 3.88Å; V285-Y291 HydrophobicContact CG1-CE1 3.83Å; V285-Y291 HydrophobicContact CG1-CE2 4.33Å; V285-Y291 HydrophobicContact CG1-CG 3.36Å; V285-Y291 VanDerWaalsContact O-CB 3.22Å; V285-Y291 WeakPolarHBondContact O-CB 3.32Å
286	K	90.2	Very high	81.7	Confident	115 Å²	115	65.6 Å²	65.6	50%	0.5	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-14	177.4	-66	167.1	-174.9	150.2	0	113.8	E282 S283 S284 F288	E282-K286 WeakPolarHBondContact O-CD 3.32Å; E282-K286 VanDerWaalsContact O-CE 3.28Å; E282-K286 WeakPolarHBondContact O-CE 3.38Å; E282-K286 WeakPolarHBondContact O-CG 3.36Å; E282-K286 PolarHBondContact O-NZ 3.37Å; S283-K286 PolarHBondContact O-N 3.44Å; S284-K286 PolarHBondContact O-N 3.4Å; K286-F288 VanDerWaalsContact C-N 3.28Å
287	Q	86.9	Confident	79	Confident	130 Å²	130	68.9 Å²	68.9	61%	0.607	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-17.5	175.1	-55.8	-67.4	-16.5	0	0	111.8	F134 S284 V285	F134-Q287 HydrophobicContact CD2-CB 3.98Å; F134-Q287 HydrophobicContact CD2-CG 4.2Å; F134-Q287 HydrophobicContact CE2-CB 3.84Å; F134-Q287 HydrophobicContact CE2-CG 3.58Å; F134-Q287 HydrophobicContact CZ-CG 4.11Å; S284-Q287 WeakPolarHBondContact O-CB 3.23Å; S284-Q287 WeakPolarHBondContact O-CG 3.47Å; S284-Q287 PolarHBondContact O-N 3.17Å; V285-Q287 PolarHBondContact O-N 2.79Å; V285-Q287 VanDerWaalsContact O-N 3.13Å
288	F	87.2	Confident	76.3	Confident	6 Å²	6	73.6 Å²	73.6	3%	0.026	38%	0.384	C	S	.	.	S	Bend	trans	-80.5	131.2	172.4	-58.7	-44.2	0	0	0	110.1	L86 S132 F134 L150 Q152 V285 K286 S290 Y291 S292	L86-F288 HydrophobicContact CD2-CD2 3.89Å; L86-F288 HydrophobicContact CD2-CE2 3.75Å; S132-F288 WeakPolarHBondContact OG-CD1 3.39Å; S132-F288 WeakPolarHBondContact OG-CE1 3.14Å; F134-F288 HydrophobicContact CB-CE1 3.83Å; F134-F288 HydrophobicContact CB-CZ 3.58Å; L150-F288 HydrophobicContact CB-CE2 4.07Å; L150-F288 HydrophobicContact CB-CZ 3.99Å; L150-F288 HydrophobicContact CD1-CE2 4.22Å; Q152-F288 HydrophobicContact CB-CD1 4.2Å; Q152-F288 HydrophobicContact CB-CD2 4.24Å; Q152-F288 HydrophobicContact CB-CE1 4.15Å; Q152-F288 HydrophobicContact CB-CE2 4.18Å; Q152-F288 HydrophobicContact CB-CG 4.24Å; Q152-F288 HydrophobicContact CB-CZ 4.13Å; V285-F288 WeakPolarHBondContact O-CB 3.14Å; V285-F288 PolarHBondContact O-N 2.9Å; K286-F288 VanDerWaalsContact C-N 3.28Å; F288-S290 PolarHBondContact O-N 3.14Å; F288-S290 VanDerWaalsContact O-N 3.08Å; F288-Y291 HydrophobicContact CB-CD2 4Å; F288-Y291 HydrophobicContact CD2-CD2 4.46Å; F288-Y291 PolarHBondContact O-N 3.15Å; F288-S292 PolarHBondContact O-N 3.13Å
289	P	78.1	Confident	73.6	Confident	94 Å²	94	77.5 Å²	77.5	61%	0.61	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-52.6	-38.1	-176.7	-29.7	34.9	0	0	0	113.9	Y291 S292	P289-Y291 PolarHBondContact O-N 3.28Å; P289-Y291 VanDerWaalsContact O-N 3.15Å; P289-S292 PolarHBondContact O-N 3.14Å; P289-S292 PolarHBondContact O-OG 3.35Å
290	S	78.1	Confident	71.1	Confident	51 Å²	51	80.5 Å²	80.5	36%	0.357	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-61.8	-20.7	179.9	-50.4	0	0	0	0	114.1	Q152 F288 S295	Q152-S290 PolarHBondContact NE2-OG 2.87Å; F288-S290 PolarHBondContact O-N 3.14Å; F288-S290 VanDerWaalsContact O-N 3.08Å; S290-S295 PolarHBondContact O-OG 2.63Å
291	Y	80.1	Confident	68.4	Low	29 Å²	29	84.3 Å²	84.3	11%	0.114	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-115	4.5	-174	-70.6	-88.5	0	0	0	113.3	V79 D85 L86 V285 F288 P289	V79-Y291 HydrophobicContact CB-CE1 4.21Å; V79-Y291 HydrophobicContact CG2-CD1 3.68Å; V79-Y291 HydrophobicContact CG2-CE1 3.64Å; D85-Y291 VanDerWaalsContact OD1-CE2 3.27Å; D85-Y291 WeakPolarHBondContact OD1-CE2 3.03Å; D85-Y291 VanDerWaalsContact OD1-CZ 3.3Å; D85-Y291 PolarHBondContact OD1-OH 3.05Å; L86-Y291 HydrophobicContact CD1-CE1 4.2Å; L86-Y291 HydrophobicContact CD1-CE2 4.25Å; L86-Y291 HydrophobicContact CD2-CE2 4.1Å; L86-Y291 HydrophobicContact CG-CE2 4.2Å; V285-Y291 HydrophobicContact CG1-CD1 3.33Å; V285-Y291 HydrophobicContact CG1-CD2 3.88Å; V285-Y291 HydrophobicContact CG1-CE1 3.83Å; V285-Y291 HydrophobicContact CG1-CE2 4.33Å; V285-Y291 HydrophobicContact CG1-CG 3.36Å; V285-Y291 VanDerWaalsContact O-CB 3.22Å; V285-Y291 WeakPolarHBondContact O-CB 3.32Å; F288-Y291 HydrophobicContact CB-CD2 4Å; F288-Y291 HydrophobicContact CD2-CD2 4.46Å; F288-Y291 PolarHBondContact O-N 3.15Å; P289-Y291 PolarHBondContact O-N 3.28Å; P289-Y291 VanDerWaalsContact O-N 3.15Å
292	S	70.9	Confident	66	Low	44 Å²	44	93.9 Å²	93.9	31%	0.308	51%	0.507	S	S	.	.	S	Bend	trans	-66.6	149.3	173.4	67.2	0	0	0	0	110.5	F288 P289 E294 S295	F288-S292 PolarHBondContact O-N 3.13Å; P289-S292 PolarHBondContact O-N 3.14Å; P289-S292 PolarHBondContact O-OG 3.35Å; S292-E294 PolarHBondContact O-N 3.07Å; S292-S295 PolarHBondContact O-N 3.27Å; S292-S295 PolarHBondContact O-OG 3.48Å
293	K	56.8	Low	63.6	Low	183 Å²	183	95.8 Å²	95.8	80%	0.796	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-11.2	-171.6	-73.6	-175.5	177	-179.4	0	115.3
294	E	53.6	Low	61.3	Low	170 Å²	170	98.6 Å²	98.6	79%	0.794	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-24.2	177.3	-71.9	179	162.5	0	0	113.6	S292	S292-E294 PolarHBondContact O-N 3.07Å
295	S	51.2	Low	59.1	Low	67 Å²	67	104.1 Å²	104.1	47%	0.469	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.7	-20.6	176.5	59.9	0	0	0	0	113.3	S290 S292 K297	S290-S295 PolarHBondContact O-OG 2.63Å; S292-S295 PolarHBondContact O-N 3.27Å; S292-S295 PolarHBondContact O-OG 3.48Å; S295-K297 PolarHBondContact O-N 3.33Å
296	I	51.1	Low	56.4	Low	97 Å²	97	111.5 Å²	111.5	50%	0.497	61%	0.609	S	S	.	*			trans	-101.8	63	178.6	-45.3	177.8	0	0	0	109.4	V79	V79-I296 HydrophobicContact CG2-CD1 4.14Å
297	K	36.7	Very low	54	Low	163 Å²	163	115.2 Å²	115.2	71%	0.709	63%	0.625	S	S	*	*			trans	-93.3	128.3	158.2	-77	-175.6	-179.4	177.4	0	107.7	S295 A299	S295-K297 PolarHBondContact O-N 3.33Å; K297-A299 PolarHBondContact O-N 3.11Å
298	P	39.8	Very low	51.6	Low	110 Å²	110	118.2 Å²	118.2	71%	0.714	64%	0.639	S	S	*	*			trans	-52.8	132	166.6	-16.4	27.6	0	0	0	107.2	T300	P298-T300 VanDerWaalsContact C-N 3.27Å; P298-T300 PolarHBondContact O-N 3.35Å; P298-T300 PolarHBondContact O-OG1 2.92Å
299	A	37.8	Very low	49.3	Very low	102 Å²	102	121.2 Å²	121.2	84%	0.843	67%	0.672	S	S	*	*			trans	-50.8	98.3	172.7	0	0	0	0	0	107.9	K297 T301	K297-A299 PolarHBondContact O-N 3.11Å; A299-T301 PolarHBondContact O-N 2.74Å
300	T	39.6	Very low	47.4	Very low	120 Å²	120	122.9 Å²	122.9	74%	0.736	68%	0.683	S	S	*	*			trans	-76.8	113.2	175.4	-26.2	0	0	0	0	103.6	P298 K302	P298-T300 VanDerWaalsContact C-N 3.27Å; P298-T300 PolarHBondContact O-N 3.35Å; P298-T300 PolarHBondContact O-OG1 2.92Å; T300-K302 VanDerWaalsContact C-N 3.3Å; T300-K302 PolarHBondContact O-N 2.93Å
301	T	36.5	Very low	45.7	Very low	126 Å²	126	124.9 Å²	124.9	77%	0.773	70%	0.702	S	S	*	*			trans	-47.6	91.7	178.3	-31.1	0	0	0	0	109.4	A299 N303	A299-T301 PolarHBondContact O-N 2.74Å; T301-N303 PolarHBondContact O-N 2.86Å
302	K	44.9	Very low	43.7	Very low	202 Å²	202	129 Å²	129	88%	0.878	74%	0.735	S	S	*	*			trans	-79.3	106	159.8	-75.1	-169.1	178.1	-176.7	0	104.7	T300	T300-K302 VanDerWaalsContact C-N 3.3Å; T300-K302 PolarHBondContact O-N 2.93Å
303	N	41.2	Very low	42.4	Very low	132 Å²	132	136.2 Å²	136.2	71%	0.706	76%	0.764	S	S	*	*			trans	-37.3	134.8	172.4	-71.8	-33.5	0	0	0	110.3	T301 V305	T301-N303 PolarHBondContact O-N 2.86Å; N303-V305 PolarHBondContact O-N 2.89Å; N303-V305 VanDerWaalsContact O-N 3.08Å
304	P	44.5	Very low	42	Very low	120 Å²	120	132.7 Å²	132.7	78%	0.779	76%	0.762	S	S	*	*			trans	-59.9	119.9	172.3	-12.7	25.8	0	0	0	107.8	L306	P304-L306 PolarHBondContact O-N 3.35Å; P304-L306 VanDerWaalsContact O-N 3.11Å
305	V	44.2	Very low	41.4	Very low	119 Å²	119	130.4 Å²	130.4	72%	0.721	76%	0.762	S	S	*	*			trans	-63.4	112.4	165.6	175.5	0	0	0	0	106.2	N303 F307	N303-V305 PolarHBondContact O-N 2.89Å; N303-V305 VanDerWaalsContact O-N 3.08Å; V305-F307 HydrophobicContact CG1-CD2 4.06Å; V305-F307 HydrophobicContact CG1-CE2 4.01Å; V305-F307 PolarHBondContact O-N 3.01Å; V305-F307 VanDerWaalsContact O-N 3.14Å
306	L	35.4	Very low	41.1	Very low	162 Å²	162	133.1 Å²	133.1	85%	0.848	78%	0.778	S	S	*	*			trans	-58.3	109.1	170	-76.4	156.7	0	0	0	108.4	P304	P304-L306 PolarHBondContact O-N 3.35Å; P304-L306 VanDerWaalsContact O-N 3.11Å
307	F	39.9	Very low	40.9	Very low	193 Å²	193	133.1 Å²	133.1	85%	0.846	79%	0.793	S	S	*	*			trans	-100	105.9	158.4	-95	-85	0	0	0	107.8	V305	V305-F307 HydrophobicContact CG1-CD2 4.06Å; V305-F307 HydrophobicContact CG1-CE2 4.01Å; V305-F307 PolarHBondContact O-N 3.01Å; V305-F307 VanDerWaalsContact O-N 3.14Å
308	E	36.3	Very low	41	Very low	193 Å²	193	135 Å²	135	90%	0.902	80%	0.801	S	S	*	*			trans	-70	124.6	166.9	-68.8	178.2	152.3	0	0	109.1
309	G	38.3	Very low	41.1	Very low	68 Å²	68	138.2 Å²	138.2	70%	0.701	81%	0.811	S	S	*	*			trans	-148.2	133.7	170.7	0	0	0	0	0	109.3
310	P	39.1	Very low	41.5	Very low	130 Å²	130	142.2 Å²	142.2	84%	0.844	81%	0.812	S	S	*	*			trans	-90.5	146.7	-149.7	34.1	-34.9	0	0	0	115.9
311	A	42.1	Very low	41.6	Very low	93 Å²	93	144.3 Å²	144.3	77%	0.769	82%	0.817	S	S	*	*			trans	54.4	94.1	140.6	0	0	0	0	0	120.8
312	S	38.6	Very low	42.1	Very low	115 Å²	115	144 Å²	144	80%	0.804	82%	0.817	S	S	*	*				32.1	111.5	122.2	-177.4	0	0	0	0	119.6
313	Q	43.9	Very low	42.3	Very low	196 Å²	196	138.7 Å²	138.7	92%	0.916	81%	0.811	S	S	*	*			trans	-132.5	133.4	138.1	-68.5	-171.6	13.9	0	0	110.4
314	S	46.9	Very low	42.3	Very low	108 Å²	108	138.5 Å²	138.5	76%	0.755	82%	0.817	S	S	*	*			trans	-75.1	157.9	-169.3	42.6	0	0	0	0	115
315	P	41	Very low	42.7	Very low	122 Å²	122	141.8 Å²	141.8	79%	0.792	82%	0.822	S	S	*	*			trans	-96.7	155.9	-174.2	36.8	-31.7	0	0	0	113.3
316	P	45.3	Very low	42.6	Very low	125 Å²	125	142.7 Å²	142.7	81%	0.812	83%	0.828	S	S	*	*			trans	-108.6	125.7	160.4	32.1	-20.2	0	0	0	113.4
317	A	46.3	Very low	43.5	Very low	96 Å²	96	140.9 Å²	140.9	79%	0.793	83%	0.826	S	S	*	*			trans	52.4	117.4	133.7	0	0	0	0	0	122.6
318	K	39.8	Very low	44	Very low	204 Å²	204	138.5 Å²	138.5	89%	0.887	83%	0.828	S	S	*	*			trans	-18.7	134.2	154.3	-71.1	171.1	173.7	178.7	0	117.3
319	L	40.6	Very low	44.4	Very low	176 Å²	176	135 Å²	135	92%	0.921	82%	0.824	S	S	*	*			trans	-119.2	135.5	149.1	-113.5	93.6	0	0	0	110.9
320	Q	46.2	Very low	45.2	Very low	187 Å²	187	137.6 Å²	137.6	87%	0.874	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-80.6	148.6	-176.6	-77.1	161.5	-61.9	0	0	113
321	I	42.1	Very low	45.7	Very low	163 Å²	163	135.8 Å²	135.8	84%	0.836	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-85	140.7	176.1	-57.7	165.6	0	0	0	110.1
322	P	47.1	Very low	45.7	Very low	120 Å²	120	137.4 Å²	137.4	78%	0.779	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-99.5	143.5	155.5	-1.8	22.1	0	0	0	112.7
323	A	49.5	Very low	46.2	Very low	90 Å²	90	138.6 Å²	138.6	74%	0.744	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-67	162.2	-172.6	0	0	0	0	0	115.6
324	P	42	Very low	46	Very low	128 Å²	128	133.8 Å²	133.8	83%	0.831	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-85.1	145.4	-171.3	32.6	-31.7	0	0	0	113.6
325	Q	53.1	Low	45.9	Very low	190 Å²	190	135.4 Å²	135.4	89%	0.888	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-94.7	123.8	172.3	-68.4	-177.7	-5.4	0	0	111.3
326	T	41.6	Very low	46	Very low	138 Å²	138	139.3 Å²	139.3	85%	0.847	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-69.6	137.6	168.5	22.4	0	0	0	0	112.6
327	P	54.5	Low	45.7	Very low	124 Å²	124	138.9 Å²	138.9	81%	0.805	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-100.2	135.3	156.3	3.7	16.7	0	0	0	111.6
328	T	49.3	Very low	45.3	Very low	143 Å²	143	140.1 Å²	140.1	88%	0.877	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-72.7	144	177.9	32.9	0	0	0	0	113
329	S	44.3	Very low	45	Very low	118 Å²	118	136.6 Å²	136.6	83%	0.825	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-98.7	139	173.7	-165.7	0	0	0	0	110.8
330	P	55.8	Low	44.9	Very low	123 Å²	123	135.2 Å²	135.2	80%	0.799	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-87.9	152.5	163.1	-4.3	23.4	0	0	0	112.3
331	A	50.5	Low	44.3	Very low	92 Å²	92	132.1 Å²	132.1	76%	0.76	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-74.3	162	-169.4	0	0	0	0	0	115.6
332	P	40.3	Very low	43.9	Very low	128 Å²	128	127.7 Å²	127.7	83%	0.831	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-92.9	135.1	175.5	35	-28.1	0	0	0	111.8
333	T	51	Low	43.2	Very low	139 Å²	139	127.3 Å²	127.3	85%	0.853	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-97.9	124.5	170.6	-45.3	0	0	0	0	110
334	A	39.3	Very low	42.4	Very low	95 Å²	95	134.3 Å²	134.3	79%	0.785	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-89.6	139.7	175.6	0	0	0	0	0	111.5
335	T	45.3	Very low	42	Very low	143 Å²	143	137.5 Å²	137.5	88%	0.877	83%	0.831	S	S	*	*			trans	-141.5	130.9	157.8	-29.5	0	0	0	0	110.5
336	K	42	Very low	41.2	Very low	203 Å²	203	135.4 Å²	135.4	88%	0.883	83%	0.831	S	S	*	*			trans	-84	173.1	-171	-115.4	-164.2	174	175.5	0	112.9
337	P	39	Very low	40.8	Very low	116 Å²	116	133.2 Å²	133.2	75%	0.753	83%	0.827	S	S	*	*			trans	-95.3	165	-153	39.2	-39.2	0	0	0	114.4
338	S	38.2	Very low	39.9	Very low	122 Å²	122	135 Å²	135	85%	0.853	83%	0.829	S	S	*	*			trans	-131.3	134.1	159	59.6	0	0	0	0	111.6
339	T	32.8	Very low	39.2	Very low	131 Å²	131	132.8 Å²	132.8	80%	0.804	83%	0.826	S	S	*	*			trans	-82.8	135.7	177.4	41.5	0	0	0	0	111.6
340	T	38.6	Very low	38.8	Very low	146 Å²	146	130.7 Å²	130.7	90%	0.896	82%	0.823	S	S	*	*			trans	-153.1	131.1	142.5	-27	0	0	0	0	112.5
341	S	33	Very low	37.8	Very low	123 Å²	123	134.6 Å²	134.6	86%	0.86	83%	0.827	S	S	*	*			trans	-69.9	157.5	170.8	169.3	0	0	0	0	112.7
342	G	34.3	Very low	37.2	Very low	69 Å²	69	138 Å²	138	71%	0.711	83%	0.833	S	S	*	*			trans	139	91.6	148.5	0	0	0	0	0	117.8
343	S	32.2	Very low	37	Very low	113 Å²	113	140 Å²	140	79%	0.79	84%	0.836	S	S	*	*			trans	-10.3	134.2	153.9	-49.8	0	0	0	0	120.5
344	R	34.1	Very low	36.2	Very low	237 Å²	237	142 Å²	142	89%	0.894	84%	0.837	S	S	*	*				170.4	135.4	103.4	-96.7	-179.3	-154.4	-176.1	6.9	113.6
345	F	31.9	Very low	36	Very low	195 Å²	195	142.8 Å²	142.8	86%	0.855	83%	0.833	S	S	*	*			trans	-7.8	133.1	152.9	-70.8	-97.9	0	0	0	119
346	T	37.6	Very low	35.4	Very low	146 Å²	146	141.3 Å²	141.3	90%	0.896	83%	0.826	S	S	*	*				-169.6	153.1	95.7	31.6	0	0	0	0	110.9
347	A	32.7	Very low	34.8	Very low	91 Å²	91	143.1 Å²	143.1	75%	0.752	83%	0.828	S	S	*	*			trans	-79.6	152	-169.7	0	0	0	0	0	114
348	N	35.9	Very low	34.6	Very low	161 Å²	161	144.3 Å²	144.3	86%	0.861	83%	0.826	S	S	*	*				-164.6	131.9	117.2	-120.4	-19.1	0	0	0	114.8
349	A	33.8	Very low	34.2	Very low	98 Å²	98	143.6 Å²	143.6	81%	0.81	82%	0.817	S	S	*	*			trans	22.1	112.1	150	0	0	0	0	0	120.7
350	G	36.7	Very low	34.3	Very low	74 Å²	74	141.8 Å²	141.8	76%	0.763	81%	0.807	S	S	*	*			trans	-144.9	108.7	157.6	0	0	0	0	0	109.8	N352	G350-N352 PolarHBondContact O-N 2.8Å
351	K	33.9	Very low	34.1	Very low	204 Å²	204	143.9 Å²	143.9	89%	0.887	80%	0.799	S	S	*	*			trans	-47.3	127.8	177	-65.7	171.3	176.9	176.2	0	110.9
352	N	39.4	Very low	34.3	Very low	164 Å²	164	141.4 Å²	141.4	88%	0.877	78%	0.78	S	S	*	*			trans	-154.6	122.6	154.2	-96.5	-26.4	0	0	0	111.4	G350 Q354	G350-N352 PolarHBondContact O-N 2.8Å; N352-Q354 PolarHBondContact O-N 2.89Å
353	N	35.6	Very low	34.4	Very low	169 Å²	169	141.7 Å²	141.7	90%	0.904	76%	0.76	S	S	*	*			trans	-56.7	114.3	174.6	-74.2	-27.8	0	0	0	110.5
354	Q	34.9	Very low	34.7	Very low	183 Å²	183	141 Å²	141	86%	0.855	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-103	128.8	159.5	-96	-176	-21.2	0	0	108.9	N352	N352-Q354 PolarHBondContact O-N 2.89Å
355	P	34.6	Very low	34.8	Very low	111 Å²	111	129.9 Å²	129.9	72%	0.721	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-65.7	150.1	171.6	27.6	-31.2	0	0	0	110.2	R357	P355-R357 PolarHBondContact O-N 3.28Å
356	P	32.4	Very low	34.9	Very low	112 Å²	112	124.1 Å²	124.1	73%	0.727	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-61.5	129.7	-174.7	24.9	-32.3	0	0	0	110.6	I358	P356-I358 PolarHBondContact O-N 3.33Å
357	R	30.2	Very low	34.9	Very low	241 Å²	241	122.1 Å²	122.1	91%	0.909	67%	0.668	S	S	*	*			trans	-76.2	91.6	176.4	-151	-178.5	-156	-161.1	6	108.2	P355 T359	P355-R357 PolarHBondContact O-N 3.28Å; R357-T359 PolarHBondContact O-N 2.87Å
358	I	33.5	Very low	35.3	Very low	140 Å²	140	121.4 Å²	121.4	72%	0.718	65%	0.651	S	S	*	*			trans	-75.4	112.3	172.6	-57.4	175.6	0	0	0	107.4	P356	P356-I358 PolarHBondContact O-N 3.33Å
359	T	29.7	Very low	35.1	Very low	107 Å²	107	125 Å²	125	66%	0.656	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-73.6	128.9	170.6	46	0	0	0	0	109.3	R357 R361	R357-T359 PolarHBondContact O-N 2.87Å; T359-R361 PolarHBondContact O-N 2.81Å
360	P	35.5	Very low	34.8	Very low	94 Å²	94	131 Å²	131	61%	0.61	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-59.6	122.6	168.9	-16.1	28.7	0	0	0	108.7
361	R	33.2	Very low	34.7	Very low	189 Å²	189	133.8 Å²	133.8	71%	0.713	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-72.3	141.8	172	-73.9	-179.7	177.9	-175.4	-3.1	108.8	E98 T359 Y363	E98-R361 IonicContact OE1-CZ 2.66Å; E98-R361 IonicContact OE1-NH1 3.23Å; E98-R361 PolarHBondContact OE1-NH1 3.08Å; T359-R361 PolarHBondContact O-N 2.81Å; R361-Y363 PolarHBondContact O-N 2.9Å
362	P	38.5	Very low	34.8	Very low	71 Å²	71	130.1 Å²	130.1	46%	0.461	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-54	129.6	165.8	18.8	-27.4	0	0	0	108.5	E235 V364	E235-P362 WeakPolarHBondContact OE1-CA 3.09Å; E235-P362 VanDerWaalsContact OE1-CB 3.29Å; E235-P362 WeakPolarHBondContact OE1-CB 3.34Å; P362-V364 HydrophobicContact CB-CG2 4.26Å; P362-V364 HydrophobicContact CG-CG2 4.35Å; P362-V364 PolarHBondContact O-N 2.76Å
363	Y	35.8	Very low	34.5	Very low	76 Å²	76	128.2 Å²	128.2	30%	0.298	64%	0.641	S	S	.	*			trans	-64.6	94.2	159.8	-176.6	-93.2	0	0	0	106.5	P97 R361	P97-Y363 HydrophobicContact CB-CE2 4.04Å; P97-Y363 HydrophobicContact CG-CD2 3.9Å; P97-Y363 HydrophobicContact CG-CE2 3.65Å; R361-Y363 PolarHBondContact O-N 2.9Å
364	V	38	Very low	34.4	Very low	99 Å²	99	125.8 Å²	125.8	60%	0.6	63%	0.626	S	S	*	*			trans	-86.1	110.5	159.9	-177.8	0	0	0	0	104	P362 P366 L368	P362-V364 HydrophobicContact CB-CG2 4.26Å; P362-V364 HydrophobicContact CG-CG2 4.35Å; P362-V364 PolarHBondContact O-N 2.76Å; V364-P366 VanDerWaalsContact O-N 3.12Å; V364-L368 HydrophobicContact CG1-CD1 4.28Å
365	S	37	Very low	34.4	Very low	3 Å²	3	122.3 Å²	122.3	2%	0.021	61%	0.611	C	S	.	*			trans	-46.7	124.1	175.6	178	0	0	0	0	108.7	Y367 L368	S365-Y367 PolarHBondContact O-N 2.88Å; S365-Y367 PolarHBondContact OG-N 2.67Å; S365-L368 PolarHBondContact O-N 3.43Å
366	P	33.1	Very low	34.4	Very low	73 Å²	73	123 Å²	123	47%	0.474	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-60.7	-13.6	179.2	21.8	-30.1	0	0	0	112.2	P97 V364	P97-P366 HydrophobicContact CB-CG 4.45Å; V364-P366 VanDerWaalsContact O-N 3.12Å
367	Y	37.9	Very low	34.5	Very low	104 Å²	104	123.8 Å²	123.8	41%	0.408	60%	0.595	S	S	.	*	G	3₁₀ helix	trans	-85.3	0.7	178.3	-59.5	-73.5	0	0	0	114.6	A140 S365 R369	A140-Y367 PolarHBondContact O-OH 2.83Å; S365-Y367 PolarHBondContact O-N 2.88Å; S365-Y367 PolarHBondContact OG-N 2.67Å; Y367-R369 PolarHBondContact O-N 3.39Å
368	L	41	Very low	34.9	Very low	77 Å²	77	114.8 Å²	114.8	40%	0.403	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-81.1	7.8	170.7	-81.5	155.3	0	0	0	113.5	V213 V364 S365	V213-L368 HydrophobicContact CG1-CD2 4.13Å; V364-L368 HydrophobicContact CG1-CD1 4.28Å; S365-L368 PolarHBondContact O-N 3.43Å
369	R	31.8	Very low	35	Very low	236 Å²	236	112.7 Å²	112.7	89%	0.891	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-113.1	33.2	176.4	-71.5	-165.3	-174.6	-155.5	3.1	114	Y367	Y367-R369 PolarHBondContact O-N 3.39Å
370	L	28.4	Very low	35.5	Very low	223 Å²	223	113.2 Å²	113.2	100%	1.168	55%	0.55	S	S	*	.			trans	-121.4	0	167.5	-74.8	173.3	0	0	0	111.2

Retrieved 370 of 370 residues in 409.5 ms (Link to these results)

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