A0A5K4F5F3_SCHMA Loading...

Leishmanolysin-like peptidase

AlphaFold DB , UniProt , Accession A0A5K4F5F3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 463 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	31.9	Very low	32	Very low	229 Å²	229	145.5 Å²	145.5	100%	1.128	73%	0.734	S	S	*	*				0	94.2	0	-82.9	159.3	58.9	0	0	109.2	L3	M1-L3 PolarHBondContact O-N 2.75Å
2	K	32.7	Very low	31.9	Very low	197 Å²	197	136.9 Å²	136.9	86%	0.857	71%	0.709	S	S	*	*			trans	-87	104.6	168.3	-76.7	-179	176.8	178.6	0	106.2	F4	K2-F4 PolarHBondContact O-N 3.41Å
3	L	31.2	Very low	31.7	Very low	149 Å²	149	139.5 Å²	139.5	78%	0.78	72%	0.723	S	S	*	*			trans	-59.9	105.1	173.2	-127.9	79.2	0	0	0	106.8	M1 T5	M1-L3 PolarHBondContact O-N 2.75Å; L3-T5 VanDerWaalsContact C-N 3.27Å; L3-T5 PolarHBondContact O-N 3.22Å
4	F	32.4	Very low	31.9	Very low	184 Å²	184	142.1 Å²	142.1	81%	0.807	73%	0.726	S	S	*	*			trans	-68.8	96.5	163.1	-86.6	-89.7	0	0	0	105.8	K2 I6	K2-F4 PolarHBondContact O-N 3.41Å; F4-I6 PolarHBondContact O-N 3.48Å
5	T	29.7	Very low	31.6	Very low	111 Å²	111	145.2 Å²	145.2	68%	0.681	73%	0.733	S	S	*	*			trans	-61.9	95.1	163.2	-41.7	0	0	0	0	105.7	L3 I7	L3-T5 VanDerWaalsContact C-N 3.27Å; L3-T5 PolarHBondContact O-N 3.22Å; T5-I7 HydrophobicContact CG2-CG1 4.27Å; T5-I7 PolarHBondContact O-N 3.37Å
6	I	30.4	Very low	31.9	Very low	136 Å²	136	142.1 Å²	142.1	70%	0.697	72%	0.718	S	S	*	*			trans	-66.3	91	166.8	-64	173.3	0	0	0	104.3	F4 F8	F4-I6 PolarHBondContact O-N 3.48Å; I6-F8 HydrophobicContact CG2-CD2 4.04Å; I6-F8 HydrophobicContact CG2-CE2 4.15Å; I6-F8 PolarHBondContact O-N 2.63Å
7	I	30.3	Very low	31.9	Very low	88 Å²	88	143.2 Å²	143.2	45%	0.451	73%	0.725	S	S	.	*			trans	-65.7	95	169.4	-63.6	171	0	0	0	104.7	T5 I9	T5-I7 HydrophobicContact CG2-CG1 4.27Å; T5-I7 PolarHBondContact O-N 3.37Å; I7-I9 PolarHBondContact O-N 2.94Å
8	F	30.1	Very low	32.2	Very low	179 Å²	179	143.1 Å²	143.1	79%	0.785	72%	0.719	S	S	*	*			trans	-59	97.4	159.1	-95.1	-92.3	0	0	0	105.6	I6 C10	I6-F8 HydrophobicContact CG2-CD2 4.04Å; I6-F8 HydrophobicContact CG2-CE2 4.15Å; I6-F8 PolarHBondContact O-N 2.63Å; F8-C10 VanDerWaalsContact C-N 3.28Å; F8-C10 PolarHBondContact O-N 3.49Å
9	I	35.1	Very low	32.6	Very low	91 Å²	91	137.9 Å²	137.9	47%	0.467	70%	0.698	S	S	.	*			trans	-56.3	109.3	156	-53.6	176.5	0	0	0	103.2	I7 L11 L462	I7-I9 PolarHBondContact O-N 2.94Å; I9-L11 HydrophobicContact CB-CG 4.34Å; I9-L11 HydrophobicContact CG2-CD1 4.35Å; I9-L11 HydrophobicContact CG2-CD2 4.21Å; I9-L11 HydrophobicContact CG2-CG 3.68Å; I9-L11 PolarHBondContact O-N 2.86Å; I9-L462 HydrophobicContact CD1-CD1 3.84Å; I9-L462 HydrophobicContact CG1-CD1 4.48Å
10	C	31.7	Very low	33.5	Very low	116 Å²	116	135.1 Å²	135.1	78%	0.784	68%	0.682	S	S	*	*			trans	-63.8	69.2	164.1	-84.8	0	0	0	0	108.1	F8 G12	F8-C10 VanDerWaalsContact C-N 3.28Å; F8-C10 PolarHBondContact O-N 3.49Å; C10-G12 PolarHBondContact O-N 3.33Å
11	L	36.5	Very low	35	Very low	121 Å²	121	131.3 Å²	131.3	63%	0.634	66%	0.662	S	S	*	*			trans	-72.1	22	148.1	-65.9	171.2	0	0	0	109.5	I9 L13	I9-L11 HydrophobicContact CB-CG 4.34Å; I9-L11 HydrophobicContact CG2-CD1 4.35Å; I9-L11 HydrophobicContact CG2-CD2 4.21Å; I9-L11 HydrophobicContact CG2-CG 3.68Å; I9-L11 PolarHBondContact O-N 2.86Å; L11-L13 PolarHBondContact O-N 3.3Å
12	G	30.4	Very low	36.8	Very low	42 Å²	42	122.6 Å²	122.6	43%	0.433	62%	0.622	S	S	.	*			trans	-54.1	111.4	169.2	0	0	0	0	0	106.4	C10 F14	C10-G12 PolarHBondContact O-N 3.33Å; G12-F14 PolarHBondContact O-N 2.87Å
13	L	29.2	Very low	38.9	Very low	171 Å²	171	113.9 Å²	113.9	90%	0.895	59%	0.585	S	S	*	*				41.5	25.3	122.8	-80.1	156.4	0	0	0	116.8	L11 K15	L11-L13 PolarHBondContact O-N 3.3Å; L13-K15 PolarHBondContact O-N 2.99Å
14	F	34.8	Very low	41.2	Very low	175 Å²	175	110.1 Å²	110.1	77%	0.768	56%	0.563	S	S	*	*			trans	-59.3	98.4	144.5	-85	-82.4	0	0	0	102.7	G12 L16	G12-F14 PolarHBondContact O-N 2.87Å; F14-L16 HydrophobicContact CB-CD1 4.21Å; F14-L16 HydrophobicContact CB-CG 4.01Å; F14-L16 PolarHBondContact O-N 2.76Å
15	K	27.8	Very low	43.4	Very low	189 Å²	189	103.1 Å²	103.1	82%	0.822	53%	0.534	S	S	*	.			trans	-41.3	84.8	144.4	-75.2	176.3	172.2	178.5	0	105.4	L13 L17	L13-K15 PolarHBondContact O-N 2.99Å; K15-L17 PolarHBondContact O-N 3.24Å
16	L	35.7	Very low	45.8	Very low	96 Å²	96	98.5 Å²	98.5	50%	0.503	51%	0.506	S	S	.	.			trans	-78	55.4	-178.3	-100	147.1	0	0	0	106.5	F14 K18	F14-L16 HydrophobicContact CB-CD1 4.21Å; F14-L16 HydrophobicContact CB-CG 4.01Å; F14-L16 PolarHBondContact O-N 2.76Å; L16-K18 HydrophobicContact CD2-CB 3.99Å; L16-K18 HydrophobicContact CD2-CD 3.43Å; L16-K18 VanDerWaalsContact CD2-CD 3.43Å; L16-K18 HydrophobicContact CD2-CG 3.52Å; L16-K18 PolarHBondContact O-N 3.37Å
17	L	31.7	Very low	48	Very low	160 Å²	160	96.8 Å²	96.8	84%	0.838	50%	0.495	S	S	*	.			trans	-68.7	61.7	134.9	-73.2	156.1	0	0	0	105.9	K15 S19	K15-L17 PolarHBondContact O-N 3.24Å; L17-S19 PolarHBondContact O-N 3.27Å
18	K	38.2	Very low	50.1	Low	142 Å²	142	93.7 Å²	93.7	62%	0.617	48%	0.479	S	S	*	.			trans	-58.2	101.1	146.3	-100.5	176.4	-173.5	-175.9	0	101	L16 E20	L16-K18 HydrophobicContact CD2-CB 3.99Å; L16-K18 HydrophobicContact CD2-CD 3.43Å; L16-K18 VanDerWaalsContact CD2-CD 3.43Å; L16-K18 HydrophobicContact CD2-CG 3.52Å; L16-K18 PolarHBondContact O-N 3.37Å; K18-E20 PolarHBondContact O-N 3.4Å
19	S	40.3	Very low	51.8	Low	45 Å²	45	91.2 Å²	91.2	32%	0.315	48%	0.481	S	S	.	.			trans	-43.2	109.9	176.1	60.2	0	0	0	0	105.7	L17 H21	L17-S19 PolarHBondContact O-N 3.27Å; S19-H21 PolarHBondContact O-CE1 3.16Å; S19-H21 PolarHBondContact O-N 3.04Å; S19-H21 PolarHBondContact O-ND1 2.95Å; S19-H21 PolarHBondContact OG-CE1 2.8Å
20	E	50.3	Low	53.8	Low	80 Å²	80	94 Å²	94	37%	0.374	49%	0.49	S	S	.	.			trans	-56.9	112.6	-176.1	-72.3	177.1	167.8	0	0	105.2	K18 T22 T317 N433	K18-E20 PolarHBondContact O-N 3.4Å; E20-T22 PolarHBondContact O-N 3.04Å; E20-T22 PolarHBondContact O-OG1 3.08Å; E20-T317 HydrophobicContact CB-CG2 4.47Å; E20-N433 PolarHBondContact OE1-OD1 2.95Å
21	H	64.1	Low	56.3	Low	56 Å²	56	91 Å²	91	26%	0.259	47%	0.466	S	S	.	.			trans	-70	87.9	-176.5	-72.4	-29.1	0	0	0	107.4	S19 L179 R207 F215 T317	S19-H21 PolarHBondContact O-CE1 3.16Å; S19-H21 PolarHBondContact O-N 3.04Å; S19-H21 PolarHBondContact O-ND1 2.95Å; S19-H21 PolarHBondContact OG-CE1 2.8Å; H21-L179 HydrophobicContact CB-CD1 3.73Å; H21-L179 HydrophobicContact CB-CD2 4.48Å; H21-L179 HydrophobicContact CB-CG 4.01Å; H21-R207 PolarHBondContact CE1-NH2 3.15Å; H21-R207 PolarHBondContact ND1-NH2 3.42Å; H21-F215 HydrophobicContact CB-CZ 4.38Å; H21-F215 AromaticContact CD2-CZ 3.61Å; H21-T317 WeakPolarHBondContact O-CA 3.32Å; H21-T317 WeakPolarHBondContact O-CG2 3.5Å
22	T	69.4	Low	58.6	Low	47 Å²	47	86.1 Å²	86.1	29%	0.288	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.4	-166	-53.4	0	0	0	0	108.4	E20 G177 V178	E20-T22 PolarHBondContact O-N 3.04Å; E20-T22 PolarHBondContact O-OG1 3.08Å; T22-G177 PolarHBondContact N-O 3.23Å; T22-V178 WeakPolarHBondContact O-CA 3.44Å
23	C	76.7	Confident	61.4	Low	13 Å²	13	90 Å²	90	9%	0.088	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	134.6	165.3	175.5	0	0	0	0	109.1	H222 E223 P316	C23-H222 WeakPolarHBondContact CB-NE2 2.93Å; C23-H222 PolarHBondContact SG-NE2 3.03Å; C23-E223 PolarHBondContact SG-OE1 3.39Å; C23-E223 VanDerWaalsContact SG-OE1 3.33Å; C23-P316 PolarHBondContact N-O 3.06Å
24	Q	80.9	Confident	64.4	Low	70 Å²	70	82.8 Å²	82.8	33%	0.327	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.4	172.3	-175.3	173.5	-14.8	0	0	109.5	V26 S173 V178 W181	Q24-V26 HydrophobicContact CG-CG2 4.23Å; Q24-V26 PolarHBondContact O-N 3.17Å; Q24-S173 PolarHBondContact OE1-O 2.94Å; Q24-V178 HydrophobicContact CB-CG1 3.82Å; Q24-V178 HydrophobicContact CB-CG2 4.01Å; Q24-W181 WeakPolarHBondContact O-CB 3.37Å
25	I	77.3	Confident	67.2	Low	38 Å²	38	76.4 Å²	76.4	20%	0.195	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	117.1	171.2	-61.3	172.5	0	0	0	107.8	E27 V231 P232 G302	I25-E27 HydrophobicContact CG2-CG 4.46Å; I25-V231 HydrophobicContact CG2-CG1 4.45Å; I25-P232 HydrophobicContact CD1-CG 4.46Å; I25-G302 VanDerWaalsContact CD1-C 3.46Å; I25-G302 WeakPolarHBondContact CD1-O 3.27Å
26	V	81.2	Confident	70.2	Confident	14 Å²	14	70.3 Å²	70.3	9%	0.085	36%	0.364	C	S	.	.			trans	-106.5	113.8	173.6	-177.5	0	0	0	0	107.7	Q24 F128 W181 S183	Q24-V26 HydrophobicContact CG-CG2 4.23Å; Q24-V26 PolarHBondContact O-N 3.17Å; V26-F128 HydrophobicContact CG1-CE1 3.59Å; V26-F128 HydrophobicContact CG1-CZ 3.85Å; V26-W181 HydrophobicContact CB-CD2 4.01Å; V26-W181 HydrophobicContact CB-CE3 3.86Å; V26-W181 HydrophobicContact CB-CG 4.31Å; V26-W181 HydrophobicContact CB-CZ3 4.43Å; V26-W181 HydrophobicContact CG1-CE3 4.43Å; V26-W181 HydrophobicContact CG2-CB 3.78Å; V26-W181 HydrophobicContact CG2-CD2 3.69Å; V26-W181 HydrophobicContact CG2-CE3 4.08Å; V26-W181 HydrophobicContact CG2-CG 3.55Å; V26-S183 WeakPolarHBondContact O-CB 3.45Å; V26-S183 PolarHBondContact O-OG 3.2Å
27	E	76.2	Confident	72.6	Confident	99 Å²	99	66.1 Å²	66.1	46%	0.463	34%	0.343	S	S	.	.			trans	-81.1	130.6	174.3	-61.8	-170.8	171.9	0	0	109.5	I25 P29 T233	I25-E27 HydrophobicContact CG2-CG 4.46Å; E27-P29 WeakPolarHBondContact O-CD 3.11Å; E27-T233 HydrophobicContact CG-CG2 4.01Å; E27-T233 WeakPolarHBondContact OE1-CG2 3.3Å; E27-T233 VanDerWaalsContact OE2-CG2 3.3Å; E27-T233 WeakPolarHBondContact OE2-CG2 3.24Å
28	N	74.5	Confident	74.9	Confident	23 Å²	23	62.1 Å²	62.1	12%	0.123	34%	0.34	C	S	.	.			trans	-75.4	113.2	172.3	-177.3	5.1	0	0	0	109.2	K30 L31 F128	N28-K30 PolarHBondContact ND2-O 3.29Å; N28-K30 PolarHBondContact O-N 3.22Å; N28-K30 PolarHBondContact OD1-N 3.29Å; N28-K30 PolarHBondContact OD1-O 2.78Å; N28-L31 HydrophobicContact CB-CD2 4.37Å; N28-F128 VanDerWaalsContact CA-CZ 3.44Å; N28-F128 HydrophobicContact CB-CE1 4.22Å; N28-F128 HydrophobicContact CB-CE2 3.72Å; N28-F128 HydrophobicContact CB-CZ 3.47Å; N28-F128 VanDerWaalsContact CB-CZ 3.47Å
29	P	65.6	Low	76.8	Confident	128 Å²	128	60 Å²	60	83%	0.831	34%	0.336	S	S	*	.	S	Bend	trans	-67.8	-19.6	178.6	29.2	-35.5	0	0	0	112.6	E27	E27-P29 WeakPolarHBondContact O-CD 3.11Å
30	K	78	Confident	78.1	Confident	149 Å²	149	66 Å²	66	65%	0.648	36%	0.363	S	S	*	.	S	Bend	trans	-126	75.8	-177.2	-165.6	-175.2	-176.3	-172.6	0	110.1	N28 S32	N28-K30 PolarHBondContact ND2-O 3.29Å; N28-K30 PolarHBondContact O-N 3.22Å; N28-K30 PolarHBondContact OD1-N 3.29Å; N28-K30 PolarHBondContact OD1-O 2.78Å; K30-S32 PolarHBondContact O-N 2.9Å
31	L	82.9	Confident	79	Confident	53 Å²	53	65 Å²	65	28%	0.277	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-57.5	130.3	168.5	-70.6	174.8	0	0	0	109.3	N28 D33 H184 C185	N28-L31 HydrophobicContact CB-CD2 4.37Å; L31-D33 PolarHBondContact O-N 3.2Å; L31-H184 VanDerWaalsContact CD2-CD2 3.46Å; L31-H184 WeakPolarHBondContact CD2-CD2 3.38Å; L31-H184 VanDerWaalsContact CD2-O 3.27Å; L31-H184 WeakPolarHBondContact CD2-O 3.25Å; L31-C185 CarbonylContact C-O 3.59Å; L31-C185 WeakPolarHBondContact CA-O 3.41Å; L31-C185 WeakPolarHBondContact CD2-O 3.45Å
32	S	86.1	Confident	79.1	Confident	19 Å²	19	71.4 Å²	71.4	13%	0.133	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-72.6	128.6	174.1	-50.9	0	0	0	0	109	K30 I96 C185 S186	K30-S32 PolarHBondContact O-N 2.9Å; S32-I96 VanDerWaalsContact CB-CG2 3.41Å; S32-C185 PolarHBondContact N-O 3.12Å; S32-S186 WeakPolarHBondContact O-CB 3.4Å; S32-S186 PolarHBondContact O-OG 2.73Å
33	D	89.6	Confident	78.7	Confident	124 Å²	124	80.2 Å²	80.2	66%	0.663	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-62.2	151.9	171	-68.7	-33.1	0	0	0	110.1	L31 Q97	L31-D33 PolarHBondContact O-N 3.2Å; D33-Q97 HydrophobicContact CB-CB 4.06Å; D33-Q97 WeakPolarHBondContact O-CB 3.33Å; D33-Q97 PolarHBondContact O-N 2.72Å
34	S	91.6	Very high	78	Confident	19 Å²	19	82 Å²	82	13%	0.133	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	153.9	176.5	63.4	0	0	0	0	110.5	L95 R187 P189	S34-L95 CarbonylContact C-O 3.51Å; S34-L95 WeakPolarHBondContact CA-O 3.47Å; S34-L95 WeakPolarHBondContact CB-O 3.21Å; S34-R187 WeakPolarHBondContact CB-O 3.5Å; S34-R187 PolarHBondContact OG-O 3.32Å; S34-P189 WeakPolarHBondContact OG-CD 3.23Å; S34-P189 VanDerWaalsContact OG-CG 3.3Å; S34-P189 WeakPolarHBondContact OG-CG 3.33Å
35	V	92.2	Very high	77.5	Confident	40 Å²	40	82.1 Å²	82.1	24%	0.242	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	156	177.7	-64.8	0	0	0	0	109.6	A94 L95	V35-A94 CarbonylContact O-C 3.44Å; V35-L95 HydrophobicContact CG2-CB 4.13Å; V35-L95 PolarHBondContact N-O 2.69Å; V35-L95 PolarHBondContact O-N 2.59Å
36	Y	91.7	Very high	77.9	Confident	62 Å²	62	84.9 Å²	84.9	24%	0.243	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	143	172.4	-65.2	-62.9	0	0	0	111.5	I90 E92 A94 D188 P189 Q190	Y36-I90 HydrophobicContact CD1-CG2 3.98Å; Y36-I90 HydrophobicContact CD2-CG2 4.44Å; Y36-I90 HydrophobicContact CE1-CB 4.42Å; Y36-I90 HydrophobicContact CE1-CD1 4.36Å; Y36-I90 HydrophobicContact CE1-CG2 3.7Å; Y36-I90 HydrophobicContact CE2-CD1 3.83Å; Y36-I90 HydrophobicContact CE2-CG2 4.17Å; Y36-I90 HydrophobicContact CG-CG2 4.37Å; Y36-I90 WeakPolarHBondContact OH-CD1 3.44Å; Y36-E92 HydrophobicContact CD1-CB 4.17Å; Y36-E92 HydrophobicContact CG-CB 4.41Å; Y36-A94 HydrophobicContact CE1-CB 4.45Å; Y36-D188 WeakPolarHBondContact CE1-OD2 3.25Å; Y36-D188 PolarHBondContact OH-OD1 3.19Å; Y36-D188 PolarHBondContact OH-OD2 3.41Å; Y36-P189 HydrophobicContact CD1-CG 4.43Å; Y36-P189 HydrophobicContact CD2-CB 4.36Å; Y36-P189 HydrophobicContact CD2-CG 4.16Å; Y36-P189 HydrophobicContact CE1-CG 4.07Å; Y36-P189 HydrophobicContact CE2-CB 3.75Å; Y36-P189 HydrophobicContact CE2-CG 3.8Å; Y36-P189 HydrophobicContact CG-CG 4.44Å; Y36-P189 WeakPolarHBondContact OH-CD 3.29Å; Y36-Q190 HydrophobicContact CE2-CB 4.28Å; Y36-Q190 WeakPolarHBondContact OH-CB 3.28Å; Y36-Q190 PolarHBondContact OH-N 3.43Å
37	S	87.1	Confident	78.4	Confident	8 Å²	8	90.1 Å²	90.1	6%	0.056	47%	0.471	C	S	.	.			trans	-63.7	141.9	167.7	177.6	0	0	0	0	110	N39 N93 E154	S37-N39 PolarHBondContact O-N 2.85Å; S37-N39 WeakPolarHBondContact OG-CB 3.49Å; S37-N39 PolarHBondContact OG-N 2.86Å; S37-N39 PolarHBondContact OG-ND2 2.81Å; S37-N93 PolarHBondContact N-O 2.82Å; S37-E154 PolarHBondContact OG-OE1 2.54Å
38	G	79.2	Confident	79.3	Confident	76 Å²	76	87.7 Å²	87.7	78%	0.784	46%	0.461	S	S	*	.			trans	-79	-0.8	172.8	0	0	0	0	0	114
39	N	77.2	Confident	80.4	Confident	98 Å²	98	91.1 Å²	91.1	52%	0.524	48%	0.476	S	S	.	.	S	Bend	trans	-74.4	135.2	-178.2	-64.9	-41.5	0	0	0	111.2	S37 V41 E154	S37-N39 PolarHBondContact O-N 2.85Å; S37-N39 WeakPolarHBondContact OG-CB 3.49Å; S37-N39 PolarHBondContact OG-N 2.86Å; S37-N39 PolarHBondContact OG-ND2 2.81Å; N39-V41 PolarHBondContact O-N 3.04Å; N39-E154 PolarHBondContact ND2-OE1 2.04Å
40	I	69.2	Low	81.9	Confident	171 Å²	171	85.2 Å²	85.2	88%	0.877	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-66.9	119.1	177.7	-59	172.3	0	0	0	109.4
41	V	68.7	Low	82.9	Confident	57 Å²	57	82.7 Å²	82.7	35%	0.345	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-101.5	133.3	172.3	-174.6	0	0	0	0	109.2	N39	N39-V41 PolarHBondContact O-N 3.04Å
42	K	65.7	Low	83.7	Confident	192 Å²	192	80.6 Å²	80.6	84%	0.835	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-68.3	140	172.7	-74.6	-177.3	179.4	178	0	109.8	S44	K42-S44 PolarHBondContact O-N 3.48Å; K42-S44 VanDerWaalsContact O-N 3.17Å
43	R	60.3	Low	84.3	Confident	232 Å²	232	81.1 Å²	81.1	88%	0.875	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-49.5	118.4	178.4	-152.1	176.6	-168.4	174.2	4	110.8
44	S	62	Low	84.7	Confident	51 Å²	51	77.2 Å²	77.2	36%	0.357	40%	0.398	S	S	.	.			trans	-91.4	174.9	172.5	69.8	0	0	0	0	111.1	K42	K42-S44 PolarHBondContact O-N 3.48Å; K42-S44 VanDerWaalsContact O-N 3.17Å
45	S	71	Confident	85	Confident	71 Å²	71	77.7 Å²	77.7	50%	0.497	40%	0.4	S	S	.	.			trans	-50.3	142.2	159.4	175.9	0	0	0	0	110	R47	S45-R47 VanDerWaalsContact C-N 3.31Å; S45-R47 PolarHBondContact OG-N 3.11Å; S45-R47 PolarHBondContact OG-O 3.04Å
46	N	85.5	Confident	85.3	Confident	97 Å²	97	77.2 Å²	77.2	52%	0.519	39%	0.394	S	S	.	.	S	Bend	trans	-72.1	-26.9	176.7	-66.2	-4.4	0	0	0	111.7	D87 V88	N46-D87 CarbonylContact O-C 3.55Å; N46-D87 WeakPolarHBondContact O-CA 3.32Å; N46-V88 PolarHBondContact O-N 2.63Å
47	R	92.6	Very high	85.5	Confident	124 Å²	124	75.1 Å²	75.1	47%	0.468	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.5	179.6	-63.1	-169.6	68.2	180	3.7	110.3	S45 I85 I86 D339	S45-R47 VanDerWaalsContact C-N 3.31Å; S45-R47 PolarHBondContact OG-N 3.11Å; S45-R47 PolarHBondContact OG-O 3.04Å; R47-I85 HydrophobicContact CB-CG2 4.3Å; R47-I86 WeakPolarHBondContact CA-O 3.12Å; R47-D339 IonicContact CZ-OD2 3.57Å; R47-D339 IonicContact NH1-OD2 2.82Å; R47-D339 IonicContact NH2-OD2 3.37Å; R47-D339 PolarHBondContact NH2-OD2 3.46Å
48	L	95	Very high	85.9	Confident	47 Å²	47	80.8 Å²	80.8	25%	0.246	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.5	179.4	-64.6	177	0	0	0	109.4	I85 I86 V88 N161	L48-I85 CarbonylContact O-C 3.54Å; L48-I86 PolarHBondContact N-O 3.34Å; L48-I86 PolarHBondContact O-N 2.95Å; L48-V88 HydrophobicContact CD1-CG2 3.92Å; L48-V88 HydrophobicContact CG-CG2 4.24Å; L48-N161 HydrophobicContact CB-CB 3.62Å; L48-N161 HydrophobicContact CD1-CB 3.9Å; L48-N161 HydrophobicContact CG-CB 4.42Å
49	H	97	Very high	86.6	Confident	95 Å²	95	81 Å²	81	44%	0.44	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	145.7	166.6	-81	-91.2	0	0	0	110.1	E81 N161	H49-E81 PolarHBondContact ND1-O 3.43Å; H49-N161 PolarHBondContact O-ND2 2.87Å
50	L	98.4	Very high	87.5	Confident	4 Å²	4	76.4 Å²	76.4	2%	0.021	37%	0.369	C	S	.	.			trans	-54.9	140.5	167.5	173.5	67.2	0	0	0	109	I52 E81 L84 I86 F163 L228 Y338	L50-I52 HydrophobicContact CD2-CD1 4.06Å; L50-I52 HydrophobicContact CD2-CG1 4.02Å; L50-I52 HydrophobicContact CG-CG1 4.1Å; L50-E81 WeakPolarHBondContact O-CA 3.46Å; L50-E81 VanDerWaalsContact O-CB 3.25Å; L50-E81 WeakPolarHBondContact O-CB 3.42Å; L50-E81 VanDerWaalsContact O-CG 3.25Å; L50-E81 WeakPolarHBondContact O-CG 3.31Å; L50-L84 HydrophobicContact CB-CB 4.06Å; L50-L84 WeakPolarHBondContact CB-O 3.45Å; L50-L84 HydrophobicContact CD2-CB 4.07Å; L50-L84 HydrophobicContact CD2-CD1 3.89Å; L50-L84 PolarHBondContact N-O 3.34Å; L50-I86 HydrophobicContact CB-CD1 4.36Å; L50-I86 HydrophobicContact CD1-CD1 3.86Å; L50-F163 HydrophobicContact CD1-CB 3.78Å; L50-L228 HydrophobicContact CD2-CD1 4.37Å; L50-L228 HydrophobicContact CD2-CD2 3.76Å; L50-Y338 HydrophobicContact CD1-CE1 4.32Å; L50-Y338 HydrophobicContact CD2-CE1 4.44Å
51	K	98.3	Very high	88.8	Confident	97 Å²	97	74.8 Å²	74.8	42%	0.422	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	117	172.6	-179.2	-178.5	172.2	-157.9	0	109.4	I53 E81 N161 E162 F163	K51-I53 HydrophobicContact CG-CG1 4.48Å; K51-E81 WeakPolarHBondContact CA-OE1 3.46Å; K51-N161 PolarHBondContact N-O 3.11Å; K51-E162 HydrophobicContact CB-CG 4.27Å; K51-E162 HydrophobicContact CD-CG 4.1Å; K51-E162 HydrophobicContact CG-CG 4.43Å; K51-E162 IonicContact NZ-OE1 3.02Å; K51-E162 PolarHBondContact NZ-OE1 2.88Å; K51-E162 CarbonylContact O-C 3.5Å; K51-E162 VanDerWaalsContact O-CA 3.27Å; K51-E162 WeakPolarHBondContact O-CA 3.43Å; K51-F163 PolarHBondContact O-N 3.37Å
52	I	98.8	Very high	90.1	Very high	9 Å²	9	77.8 Å²	77.8	5%	0.046	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.8	-179.7	-64.7	169.9	0	0	0	108.6	L50 P54 S77 W80 E81 F163 L165 L224	L50-I52 HydrophobicContact CD2-CD1 4.06Å; L50-I52 HydrophobicContact CD2-CG1 4.02Å; L50-I52 HydrophobicContact CG-CG1 4.1Å; I52-P54 WeakPolarHBondContact O-CD 3.35Å; I52-S77 WeakPolarHBondContact CG2-OG 3.49Å; I52-W80 HydrophobicContact CD1-CB 3.83Å; I52-E81 HydrophobicContact CB-CG 4.32Å; I52-E81 HydrophobicContact CD1-CG 4.3Å; I52-E81 HydrophobicContact CG1-CG 4.15Å; I52-E81 PolarHBondContact N-OE1 2.77Å; I52-F163 CarbonylContact C-O 3.47Å; I52-F163 WeakPolarHBondContact CA-O 3.38Å; I52-F163 HydrophobicContact CG1-CB 4.43Å; I52-F163 HydrophobicContact CG1-CD1 4.3Å; I52-F163 HydrophobicContact CG2-CD1 4.36Å; I52-L165 HydrophobicContact CG2-CB 3.97Å; I52-L165 HydrophobicContact CG2-CD2 4.23Å; I52-L224 HydrophobicContact CD1-CD1 4.38Å
53	I	98.7	Very high	91.6	Very high	30 Å²	30	69.7 Å²	69.7	15%	0.154	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	99.8	179.4	-57.2	-179.6	0	0	0	108.5	K51 Y136 E162 F163 L165	K51-I53 HydrophobicContact CG-CG1 4.48Å; I53-Y136 WeakPolarHBondContact CG2-OH 3.4Å; I53-E162 HydrophobicContact CD1-CB 4.34Å; I53-E162 HydrophobicContact CD1-CG 3.88Å; I53-E162 WeakPolarHBondContact CD1-OE1 3.25Å; I53-E162 WeakPolarHBondContact CD1-OE2 3.31Å; I53-F163 PolarHBondContact N-O 3.25Å; I53-L165 PolarHBondContact O-N 2.88Å
54	P	98.6	Very high	93.2	Very high	41 Å²	41	65 Å²	65	27%	0.266	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	134	177.5	30.5	-34.5	0	0	0	110.9	I52 Y56 I73 L165	I52-P54 WeakPolarHBondContact O-CD 3.35Å; P54-Y56 HydrophobicContact CB-CE1 4.45Å; P54-Y56 HydrophobicContact CB-CE2 3.86Å; P54-Y56 HydrophobicContact CG-CE2 4.04Å; P54-I73 HydrophobicContact CB-CG2 3.6Å; P54-I73 HydrophobicContact CG-CG2 4.15Å; P54-L165 CarbonylContact C-O 3.48Å; P54-L165 WeakPolarHBondContact CA-O 3.32Å
55	V	98.4	Very high	94.8	Very high	29 Å²	29	62.6 Å²	62.6	18%	0.176	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	104.9	174.5	176.5	0	0	0	0	106.9	P133 Y136 V164 L165 L166 V167	V55-P133 HydrophobicContact CB-CG 4.43Å; V55-P133 HydrophobicContact CG1-CG 3.51Å; V55-P133 HydrophobicContact CG2-CG 4.12Å; V55-Y136 HydrophobicContact CG2-CE2 4.23Å; V55-V164 HydrophobicContact CG2-CG1 3.84Å; V55-L165 PolarHBondContact N-O 3.35Å; V55-L166 HydrophobicContact CB-CD2 3.99Å; V55-L166 HydrophobicContact CG1-CD2 4.05Å; V55-L166 WeakPolarHBondContact O-CA 3.46Å; V55-V167 PolarHBondContact O-N 3.19Å
56	Y	98.2	Very high	96	Very high	31 Å²	31	61.6 Å²	61.6	12%	0.122	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	128.5	-177.8	-56.6	-84	0	0	0	110.8	P54 V60 R61 F66 I69 I73 V167	P54-Y56 HydrophobicContact CB-CE1 4.45Å; P54-Y56 HydrophobicContact CB-CE2 3.86Å; P54-Y56 HydrophobicContact CG-CE2 4.04Å; Y56-V60 HydrophobicContact CD1-CG1 4.07Å; Y56-R61 PolarHBondContact O-NE 2.93Å; Y56-F66 HydrophobicContact CD1-CD2 4.47Å; Y56-F66 AromaticContact CD1-CE2 3.82Å; Y56-F66 HydrophobicContact CD1-CE2 3.82Å; Y56-F66 AromaticContact CD2-CE2 3.88Å; Y56-F66 HydrophobicContact CD2-CE2 3.88Å; Y56-F66 HydrophobicContact CD2-CZ 4.25Å; Y56-F66 HydrophobicContact CE1-CE2 4.2Å; Y56-F66 HydrophobicContact CE2-CE2 4.27Å; Y56-F66 AromaticContact CG-CE2 3.64Å; Y56-F66 HydrophobicContact CG-CE2 3.64Å; Y56-F66 HydrophobicContact CG-CZ 4.43Å; Y56-I69 HydrophobicContact CD1-CG2 4.44Å; Y56-I69 HydrophobicContact CE1-CG2 4.21Å; Y56-I73 HydrophobicContact CE1-CB 4.31Å; Y56-I73 HydrophobicContact CE1-CG1 4.21Å; Y56-I73 HydrophobicContact CE1-CG2 4.3Å; Y56-I73 WeakPolarHBondContact OH-CG2 3.33Å; Y56-V167 HydrophobicContact CD1-CB 3.75Å; Y56-V167 HydrophobicContact CD1-CG1 3.91Å; Y56-V167 HydrophobicContact CD1-CG2 4.09Å; Y56-V167 HydrophobicContact CE1-CB 4.21Å; Y56-V167 HydrophobicContact CE1-CG1 4.2Å; Y56-V167 HydrophobicContact CE1-CG2 4.11Å
57	D	96.5	Very high	96.6	Very high	18 Å²	18	61.3 Å²	61.3	10%	0.096	29%	0.288	C	S	.	.			trans	-53.9	151.9	170.8	-173.9	-94.7	0	0	0	111.2	D59 V60 R61 T130 V167 Y170	D57-D59 VanDerWaalsContact C-N 3.26Å; D57-D59 PolarHBondContact O-N 3.41Å; D57-D59 PolarHBondContact OD1-N 3.14Å; D57-V60 HydrophobicContact CB-CB 4.44Å; D57-V60 HydrophobicContact CB-CG2 4.24Å; D57-V60 PolarHBondContact O-N 3.21Å; D57-R61 WeakPolarHBondContact O-CG 3.06Å; D57-R61 PolarHBondContact O-N 2.74Å; D57-T130 HydrophobicContact CB-CG2 4.37Å; D57-V167 WeakPolarHBondContact CB-O 3.06Å; D57-V167 PolarHBondContact N-O 2.79Å; D57-Y170 PolarHBondContact OD1-OH 2.59Å; D57-Y170 PolarHBondContact OD2-OH 3.07Å; D57-Y170 VanDerWaalsContact OD2-OH 3.05Å
58	K	95.5	Very high	96.8	Very high	126 Å²	126	57.3 Å²	57.3	55%	0.548	27%	0.274	S	S	.	.	H	α-helix	trans	-56.2	-42.5	-179.2	-170.3	-171.7	173.6	-173.6	0	111.5	R61 M62	K58-R61 PolarHBondContact O-N 3.49Å; K58-M62 HydrophobicContact CD-CE 4.15Å; K58-M62 HydrophobicContact CD-SD 4.4Å; K58-M62 HydrophobicContact CG-CE 3.82Å; K58-M62 HydrophobicContact CG-SD 4.03Å; K58-M62 VanDerWaalsContact O-CG 3.31Å; K58-M62 WeakPolarHBondContact O-CG 3.45Å; K58-M62 PolarHBondContact O-N 2.79Å
59	D	93.5	Very high	96.9	Very high	82 Å²	82	55.1 Å²	55.1	44%	0.439	26%	0.262	S	S	.	.	H	α-helix	trans	-70.6	-36.4	-177.1	-62.9	-24	0	0	0	111.1	D57 M62 S63 Y170	D57-D59 VanDerWaalsContact C-N 3.26Å; D57-D59 PolarHBondContact O-N 3.41Å; D57-D59 PolarHBondContact OD1-N 3.14Å; D59-M62 PolarHBondContact O-N 2.93Å; D59-M62 WeakPolarHBondContact OD1-CE 3.28Å; D59-S63 WeakPolarHBondContact O-CB 3.33Å; D59-S63 PolarHBondContact O-N 3.24Å; D59-Y170 WeakPolarHBondContact OD2-CE1 3.31Å
60	V	96.3	Very high	97	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.6	-44.1	171.3	172.3	0	0	0	0	111	Y56 D57 M62 S63 F66 I69 N169	Y56-V60 HydrophobicContact CD1-CG1 4.07Å; D57-V60 HydrophobicContact CB-CB 4.44Å; D57-V60 HydrophobicContact CB-CG2 4.24Å; D57-V60 PolarHBondContact O-N 3.21Å; V60-M62 VanDerWaalsContact C-N 3.33Å; V60-M62 PolarHBondContact O-N 3.35Å; V60-S63 WeakPolarHBondContact O-CB 3.29Å; V60-S63 PolarHBondContact O-N 2.96Å; V60-F66 HydrophobicContact CG1-CD2 4.07Å; V60-F66 VanDerWaalsContact O-CB 3.3Å; V60-F66 WeakPolarHBondContact O-CB 3.36Å; V60-I69 HydrophobicContact CG1-CD1 3.91Å; V60-I69 HydrophobicContact CG1-CG2 4.1Å; V60-N169 HydrophobicContact CG2-CB 3.71Å
61	R	96.6	Very high	97	Very high	138 Å²	138	59.5 Å²	59.5	52%	0.521	28%	0.28	S	S	.	.	H	α-helix	trans	-66.6	-32.8	179.3	-71.1	-174.9	-66.7	117.8	-3	113.6	Y56 D57 K58 F66	Y56-R61 PolarHBondContact O-NE 2.93Å; D57-R61 WeakPolarHBondContact O-CG 3.06Å; D57-R61 PolarHBondContact O-N 2.74Å; K58-R61 PolarHBondContact O-N 3.49Å; R61-F66 HydrophobicContact CG-CD2 4.49Å; R61-F66 HydrophobicContact CG-CE2 4.05Å; R61-F66 HydrophobicContact CG-CZ 4.25Å
62	M	96.2	Very high	97	Very high	120 Å²	120	55.1 Å²	55.1	59%	0.591	26%	0.262	S	S	*	.	H	α-helix	trans	-84.2	-15.8	179	-65.4	-178.2	-49.6	0	0	112.7	K58 D59 V60	K58-M62 HydrophobicContact CD-CE 4.15Å; K58-M62 HydrophobicContact CD-SD 4.4Å; K58-M62 HydrophobicContact CG-CE 3.82Å; K58-M62 HydrophobicContact CG-SD 4.03Å; K58-M62 VanDerWaalsContact O-CG 3.31Å; K58-M62 WeakPolarHBondContact O-CG 3.45Å; K58-M62 PolarHBondContact O-N 2.79Å; D59-M62 PolarHBondContact O-N 2.93Å; D59-M62 WeakPolarHBondContact OD1-CE 3.28Å; V60-M62 VanDerWaalsContact C-N 3.33Å; V60-M62 PolarHBondContact O-N 3.35Å
63	S	95.3	Very high	97	Very high	22 Å²	22	54.7 Å²	54.7	15%	0.154	26%	0.259	C	S	.	.	S	Bend	trans	-70.6	141.2	177.6	177	0	0	0	0	111.9	D59 V60 A65 F66 A205	D59-S63 WeakPolarHBondContact O-CB 3.33Å; D59-S63 PolarHBondContact O-N 3.24Å; V60-S63 WeakPolarHBondContact O-CB 3.29Å; V60-S63 PolarHBondContact O-N 2.96Å; S63-A65 PolarHBondContact O-N 3.36Å; S63-A65 WeakPolarHBondContact OG-CB 3.31Å; S63-A65 PolarHBondContact OG-N 3.29Å; S63-A65 VanDerWaalsContact OG-N 3.14Å; S63-F66 WeakPolarHBondContact O-CB 3.47Å; S63-F66 PolarHBondContact O-N 3.06Å; S63-A205 WeakPolarHBondContact OG-CB 3.41Å
64	Y	95.1	Very high	97	Very high	132 Å²	132	57.1 Å²	57.1	52%	0.518	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.6	171.9	69.8	-88.2	0	0	0	112.8	F66 P67 A205 E206 A209	Y64-F66 PolarHBondContact O-N 3.05Å; Y64-P67 WeakPolarHBondContact O-CD 3.35Å; Y64-A205 HydrophobicContact CD1-CB 4.41Å; Y64-A205 HydrophobicContact CE1-CB 3.74Å; Y64-E206 WeakPolarHBondContact OH-CA 3.31Å; Y64-E206 VanDerWaalsContact OH-CB 3.28Å; Y64-E206 WeakPolarHBondContact OH-CB 3.35Å; Y64-E206 WeakPolarHBondContact OH-CG 3.3Å; Y64-E206 PolarHBondContact OH-N 3.47Å; Y64-E206 PolarHBondContact OH-OE1 3.21Å; Y64-A209 HydrophobicContact CD2-CB 4.28Å; Y64-A209 HydrophobicContact CE2-CB 3.68Å
65	A	95.1	Very high	97	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.008	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-9.1	171	0	0	0	0	0	112.9	S63 K68 I69 A205 I208	S63-A65 PolarHBondContact O-N 3.36Å; S63-A65 WeakPolarHBondContact OG-CB 3.31Å; S63-A65 PolarHBondContact OG-N 3.29Å; S63-A65 VanDerWaalsContact OG-N 3.14Å; A65-K68 WeakPolarHBondContact O-CB 3.48Å; A65-K68 PolarHBondContact O-N 3.33Å; A65-I69 HydrophobicContact CB-CD1 4.23Å; A65-I69 PolarHBondContact O-N 2.9Å; A65-A205 HydrophobicContact CB-CB 3.92Å; A65-I208 HydrophobicContact CB-CB 4.08Å; A65-I208 HydrophobicContact CB-CG2 3.96Å
66	F	97.4	Very high	97	Very high	50 Å²	50	55.2 Å²	55.2	22%	0.219	26%	0.261	C	S	.	.	H	α-helix	trans	-51.4	-47.8	-176.6	-179.5	-124.2	0	0	0	114.3	Y56 V60 R61 S63 Y64 K68 I69 K70	Y56-F66 HydrophobicContact CD1-CD2 4.47Å; Y56-F66 AromaticContact CD1-CE2 3.82Å; Y56-F66 HydrophobicContact CD1-CE2 3.82Å; Y56-F66 AromaticContact CD2-CE2 3.88Å; Y56-F66 HydrophobicContact CD2-CE2 3.88Å; Y56-F66 HydrophobicContact CD2-CZ 4.25Å; Y56-F66 HydrophobicContact CE1-CE2 4.2Å; Y56-F66 HydrophobicContact CE2-CE2 4.27Å; Y56-F66 AromaticContact CG-CE2 3.64Å; Y56-F66 HydrophobicContact CG-CE2 3.64Å; Y56-F66 HydrophobicContact CG-CZ 4.43Å; V60-F66 HydrophobicContact CG1-CD2 4.07Å; V60-F66 VanDerWaalsContact O-CB 3.3Å; V60-F66 WeakPolarHBondContact O-CB 3.36Å; R61-F66 HydrophobicContact CG-CD2 4.49Å; R61-F66 HydrophobicContact CG-CE2 4.05Å; R61-F66 HydrophobicContact CG-CZ 4.25Å; S63-F66 WeakPolarHBondContact O-CB 3.47Å; S63-F66 PolarHBondContact O-N 3.06Å; Y64-F66 PolarHBondContact O-N 3.05Å; F66-K68 PolarHBondContact O-N 3.26Å; F66-I69 PolarHBondContact O-N 3Å; F66-K70 HydrophobicContact CE1-CD 4.11Å; F66-K70 HydrophobicContact CE2-CB 4.23Å; F66-K70 HydrophobicContact CZ-CB 4.39Å; F66-K70 HydrophobicContact CZ-CD 3.88Å; F66-K70 VanDerWaalsContact O-CB 3.25Å; F66-K70 WeakPolarHBondContact O-CB 3.21Å; F66-K70 PolarHBondContact O-N 3.15Å
67	P	97.3	Very high	97	Very high	91 Å²	91	54 Å²	54	59%	0.591	26%	0.257	S	S	*	.	H	α-helix	trans	-59.1	-34.6	-179	-24.1	35.8	0	0	0	112.5	Y64 K71	Y64-P67 WeakPolarHBondContact O-CD 3.35Å; P67-K71 WeakPolarHBondContact O-CB 2.89Å; P67-K71 PolarHBondContact O-N 3.44Å
68	K	96.5	Very high	97.1	Very high	41 Å²	41	60.9 Å²	60.9	18%	0.178	28%	0.281	C	S	.	.	H	α-helix	trans	-77.9	-42.1	-178.6	-160.7	179.1	177.6	105.8	0	112	A65 F66 K71 A72 I208 A209 T211 D213 L216	A65-K68 WeakPolarHBondContact O-CB 3.48Å; A65-K68 PolarHBondContact O-N 3.33Å; F66-K68 PolarHBondContact O-N 3.26Å; K68-K71 PolarHBondContact O-N 3.42Å; K68-A72 PolarHBondContact O-N 3.37Å; K68-I208 HydrophobicContact CD-CG2 4.43Å; K68-I208 WeakPolarHBondContact CD-O 3.49Å; K68-I208 WeakPolarHBondContact CE-O 3.22Å; K68-A209 PolarHBondContact NZ-O 3.28Å; K68-A209 VanDerWaalsContact NZ-O 3.12Å; K68-T211 WeakPolarHBondContact CE-O 3.13Å; K68-T211 PolarHBondContact NZ-O 2.77Å; K68-D213 VanDerWaalsContact CE-OD1 3.25Å; K68-D213 WeakPolarHBondContact CE-OD1 3.3Å; K68-D213 IonicContact NZ-OD1 3.6Å; K68-D213 PolarHBondContact NZ-OD1 3.18Å; K68-L216 HydrophobicContact CD-CD2 4.21Å; K68-L216 HydrophobicContact CG-CD2 3.79Å
69	I	97.8	Very high	97.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.1	-49.5	171.3	-67.3	169.8	0	0	0	110	Y56 V60 A65 F66 K71 A72 I73 V167 Y201 I208	Y56-I69 HydrophobicContact CD1-CG2 4.44Å; Y56-I69 HydrophobicContact CE1-CG2 4.21Å; V60-I69 HydrophobicContact CG1-CD1 3.91Å; V60-I69 HydrophobicContact CG1-CG2 4.1Å; A65-I69 HydrophobicContact CB-CD1 4.23Å; A65-I69 PolarHBondContact O-N 2.9Å; F66-I69 PolarHBondContact O-N 3Å; I69-K71 PolarHBondContact O-N 3.2Å; I69-A72 PolarHBondContact O-N 2.98Å; I69-I73 HydrophobicContact CG2-CG1 4.18Å; I69-I73 WeakPolarHBondContact O-CB 2.98Å; I69-I73 VanDerWaalsContact O-CG1 3.29Å; I69-I73 WeakPolarHBondContact O-CG1 3.4Å; I69-I73 PolarHBondContact O-N 3.27Å; I69-V167 HydrophobicContact CG2-CG1 3.83Å; I69-Y201 HydrophobicContact CD1-CD2 4.49Å; I69-Y201 HydrophobicContact CG1-CE2 4.36Å; I69-Y201 HydrophobicContact CG2-CD2 4.42Å; I69-Y201 HydrophobicContact CG2-CE2 3.72Å; I69-I208 HydrophobicContact CD1-CD1 3.99Å; I69-I208 HydrophobicContact CD1-CG2 4.49Å; I69-I208 HydrophobicContact CG1-CD1 4.34Å; I69-I208 HydrophobicContact CG1-CG2 3.91Å
70	K	98.3	Very high	97.5	Very high	74 Å²	74	52.5 Å²	52.5	32%	0.322	24%	0.24	S	C	.	.	H	α-helix	trans	-57.4	-46.7	178.5	-178.5	175.3	-177.9	-69.9	0	111.5	F66 A72 I73 E74	F66-K70 HydrophobicContact CE1-CD 4.11Å; F66-K70 HydrophobicContact CE2-CB 4.23Å; F66-K70 HydrophobicContact CZ-CB 4.39Å; F66-K70 HydrophobicContact CZ-CD 3.88Å; F66-K70 VanDerWaalsContact O-CB 3.25Å; F66-K70 WeakPolarHBondContact O-CB 3.21Å; F66-K70 PolarHBondContact O-N 3.15Å; K70-A72 PolarHBondContact O-N 3.02Å; K70-I73 PolarHBondContact O-N 3.27Å; K70-E74 WeakPolarHBondContact CE-OE1 3.49Å; K70-E74 HydrophobicContact CG-CG 4.37Å; K70-E74 WeakPolarHBondContact CG-OE1 3.27Å; K70-E74 IonicContact NZ-OE1 2.64Å; K70-E74 PolarHBondContact NZ-OE1 2.85Å; K70-E74 IonicContact NZ-OE2 3.33Å; K70-E74 PolarHBondContact NZ-OE2 3.46Å; K70-E74 WeakPolarHBondContact O-CB 3.47Å; K70-E74 VanDerWaalsContact O-CG 3.28Å; K70-E74 WeakPolarHBondContact O-CG 3.4Å; K70-E74 PolarHBondContact O-N 3.38Å
71	K	98.4	Very high	97.6	Very high	118 Å²	118	54.9 Å²	54.9	51%	0.513	25%	0.252	S	S	.	.	H	α-helix	trans	-58	-48.4	176.2	-177.4	-178.3	176.2	-175.5	0	111.9	P67 K68 I69 E74 A75 D213	P67-K71 WeakPolarHBondContact O-CB 2.89Å; P67-K71 PolarHBondContact O-N 3.44Å; K68-K71 PolarHBondContact O-N 3.42Å; I69-K71 PolarHBondContact O-N 3.2Å; K71-E74 PolarHBondContact O-N 3.29Å; K71-A75 WeakPolarHBondContact O-CB 3.25Å; K71-A75 PolarHBondContact O-N 2.89Å; K71-D213 IonicContact NZ-OD2 3.91Å; K71-D213 PolarHBondContact NZ-OD2 3.02Å
72	A	98.2	Very high	97.7	Very high	4 Å²	4	52.2 Å²	52.2	3%	0.033	25%	0.248	C	C	.	.	H	α-helix	trans	-64.5	-42	-180	0	0	0	0	0	112.4	K68 I69 K70 S76 L216	K68-A72 PolarHBondContact O-N 3.37Å; I69-A72 PolarHBondContact O-N 2.98Å; K70-A72 PolarHBondContact O-N 3.02Å; A72-S76 WeakPolarHBondContact O-CB 3.44Å; A72-S76 PolarHBondContact O-N 2.73Å; A72-S76 PolarHBondContact O-OG 3.34Å; A72-L216 HydrophobicContact CB-CB 4.45Å; A72-L216 HydrophobicContact CB-CD2 3.92Å; A72-L216 HydrophobicContact CB-CG 3.79Å
73	I	98.6	Very high	97.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.8	-45.4	176.7	-69.5	-76.6	0	0	0	111	P54 Y56 I69 K70 S77 L165 V167 I199 T220	P54-I73 HydrophobicContact CB-CG2 3.6Å; P54-I73 HydrophobicContact CG-CG2 4.15Å; Y56-I73 HydrophobicContact CE1-CB 4.31Å; Y56-I73 HydrophobicContact CE1-CG1 4.21Å; Y56-I73 HydrophobicContact CE1-CG2 4.3Å; Y56-I73 WeakPolarHBondContact OH-CG2 3.33Å; I69-I73 HydrophobicContact CG2-CG1 4.18Å; I69-I73 WeakPolarHBondContact O-CB 2.98Å; I69-I73 VanDerWaalsContact O-CG1 3.29Å; I69-I73 WeakPolarHBondContact O-CG1 3.4Å; I69-I73 PolarHBondContact O-N 3.27Å; K70-I73 PolarHBondContact O-N 3.27Å; I73-S77 WeakPolarHBondContact O-CB 3.48Å; I73-S77 PolarHBondContact O-N 3.06Å; I73-S77 PolarHBondContact O-OG 2.02Å; I73-L165 HydrophobicContact CD1-CD2 3.82Å; I73-L165 HydrophobicContact CG2-CD2 4.11Å; I73-V167 HydrophobicContact CD1-CG1 4.21Å; I73-V167 HydrophobicContact CD1-CG2 3.78Å; I73-V167 HydrophobicContact CG1-CG1 4.31Å; I73-V167 HydrophobicContact CG1-CG2 4.21Å; I73-I199 HydrophobicContact CD1-CD1 4.25Å; I73-T220 HydrophobicContact CD1-CG2 3.46Å; I73-T220 VanDerWaalsContact CD1-CG2 3.46Å; I73-T220 HydrophobicContact CG1-CG2 4.04Å
74	E	98.6	Very high	98	Very high	82 Å²	82	45.5 Å²	45.5	38%	0.383	21%	0.212	S	C	.	.	H	α-helix	trans	-65.7	-43.6	179.6	-74.4	173.8	171	0	0	112.3	K70 K71 R78	K70-E74 WeakPolarHBondContact CE-OE1 3.49Å; K70-E74 HydrophobicContact CG-CG 4.37Å; K70-E74 WeakPolarHBondContact CG-OE1 3.27Å; K70-E74 IonicContact NZ-OE1 2.64Å; K70-E74 PolarHBondContact NZ-OE1 2.85Å; K70-E74 IonicContact NZ-OE2 3.33Å; K70-E74 PolarHBondContact NZ-OE2 3.46Å; K70-E74 WeakPolarHBondContact O-CB 3.47Å; K70-E74 VanDerWaalsContact O-CG 3.28Å; K70-E74 WeakPolarHBondContact O-CG 3.4Å; K70-E74 PolarHBondContact O-N 3.38Å; K71-E74 PolarHBondContact O-N 3.29Å; E74-R78 WeakPolarHBondContact O-CB 3.24Å; E74-R78 PolarHBondContact O-N 3.29Å
75	A	98.4	Very high	98.1	Very high	29 Å²	29	40.3 Å²	40.3	24%	0.24	19%	0.193	C	C	.	.	H	α-helix	trans	-65.3	-44.6	177.2	0	0	0	0	0	111.8	K71 R78 Y79 E217	K71-A75 WeakPolarHBondContact O-CB 3.25Å; K71-A75 PolarHBondContact O-N 2.89Å; A75-R78 PolarHBondContact O-N 3.08Å; A75-Y79 PolarHBondContact O-N 3.03Å; A75-E217 HydrophobicContact CB-CG 3.98Å; A75-E217 WeakPolarHBondContact CB-OE2 2.89Å
76	S	98.4	Very high	98.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-68.5	-38.9	178.1	-54.5	0	0	0	0	112.2	A72 Y79 W80 E217 T220 K221	A72-S76 WeakPolarHBondContact O-CB 3.44Å; A72-S76 PolarHBondContact O-N 2.73Å; A72-S76 PolarHBondContact O-OG 3.34Å; S76-Y79 WeakPolarHBondContact O-CB 3.39Å; S76-Y79 PolarHBondContact O-N 2.89Å; S76-W80 PolarHBondContact O-N 3.25Å; S76-E217 PolarHBondContact OG-O 3.13Å; S76-E217 VanDerWaalsContact OG-O 3.06Å; S76-T220 WeakPolarHBondContact OG-CB 3.4Å; S76-K221 PolarHBondContact OG-N 3.26Å
77	S	98.8	Very high	97.9	Very high	5 Å²	5	42.5 Å²	42.5	4%	0.035	21%	0.207	C	C	.	.	H	α-helix	trans	-61.6	-49.6	176.4	-63.1	0	0	0	0	110.2	I52 I73 Y79 W80 E81	I52-S77 WeakPolarHBondContact CG2-OG 3.49Å; I73-S77 WeakPolarHBondContact O-CB 3.48Å; I73-S77 PolarHBondContact O-N 3.06Å; I73-S77 PolarHBondContact O-OG 2.02Å; S77-Y79 PolarHBondContact O-N 2.02Å; S77-W80 PolarHBondContact O-N 2.74Å; S77-E81 WeakPolarHBondContact O-CB 3.42Å; S77-E81 VanDerWaalsContact O-CG 3.24Å; S77-E81 WeakPolarHBondContact O-CG 3.29Å; S77-E81 PolarHBondContact O-N 3.48Å
78	R	98.6	Very high	97.6	Very high	164 Å²	164	38.9 Å²	38.9	62%	0.619	18%	0.183	S	C	*	.	H	α-helix	trans	-54.7	-39	178	-171.6	-176.9	-56.2	-165	1.8	112.6	E74 A75 N82	E74-R78 WeakPolarHBondContact O-CB 3.24Å; E74-R78 PolarHBondContact O-N 3.29Å; A75-R78 PolarHBondContact O-N 3.08Å; R78-N82 WeakPolarHBondContact O-CB 3.39Å; R78-N82 PolarHBondContact O-N 3.45Å; R78-N82 VanDerWaalsContact O-N 3.15Å; R78-N82 PolarHBondContact O-ND2 2.82Å
79	Y	98.6	Very high	97.2	Very high	32 Å²	32	42.5 Å²	42.5	13%	0.125	20%	0.199	C	C	.	.	H	α-helix	trans	-59.5	-53.1	174.8	-179.5	-89.2	0	0	0	111.6	A75 S76 S77 N82 A83 K221 V324 V344	A75-Y79 PolarHBondContact O-N 3.03Å; S76-Y79 WeakPolarHBondContact O-CB 3.39Å; S76-Y79 PolarHBondContact O-N 2.89Å; S77-Y79 PolarHBondContact O-N 2.02Å; Y79-N82 PolarHBondContact O-N 3.3Å; Y79-A83 HydrophobicContact CE1-CB 4.36Å; Y79-A83 WeakPolarHBondContact O-CB 3.12Å; Y79-A83 PolarHBondContact O-N 3.41Å; Y79-K221 HydrophobicContact CD1-CD 3.91Å; Y79-K221 HydrophobicContact CD1-CG 4.21Å; Y79-K221 HydrophobicContact CE1-CD 4.38Å; Y79-K221 HydrophobicContact CG-CD 4.03Å; Y79-V324 HydrophobicContact CE1-CB 4.17Å; Y79-V324 HydrophobicContact CE1-CG1 3.97Å; Y79-V324 HydrophobicContact CE1-CG2 3.78Å; Y79-V324 HydrophobicContact CE2-CG2 4.4Å; Y79-V324 WeakPolarHBondContact OH-CB 3.36Å; Y79-V324 VanDerWaalsContact OH-CG1 3.28Å; Y79-V324 WeakPolarHBondContact OH-CG1 3.43Å; Y79-V344 HydrophobicContact CE2-CB 4.24Å; Y79-V344 HydrophobicContact CE2-CG2 4.38Å; Y79-V344 VanDerWaalsContact CE2-O 3.29Å; Y79-V344 WeakPolarHBondContact CE2-O 3.39Å; Y79-V344 PolarHBondContact OH-O 3.24Å
80	W	98.7	Very high	96.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69.9	-34.9	-177.3	-71.3	115.6	0	0	0	113.5	I52 S76 S77 N82 A83 L84 K221 C225 L228 L313 L329 F332	I52-W80 HydrophobicContact CD1-CB 3.83Å; S76-W80 PolarHBondContact O-N 3.25Å; S77-W80 PolarHBondContact O-N 2.74Å; W80-N82 VanDerWaalsContact C-N 3.32Å; W80-N82 PolarHBondContact O-N 3.09Å; W80-A83 HydrophobicContact CE3-CB 4.41Å; W80-A83 PolarHBondContact O-N 2.86Å; W80-L84 HydrophobicContact CE3-CD1 3.97Å; W80-L84 HydrophobicContact CE3-CG 4.18Å; W80-L84 WeakPolarHBondContact O-CB 3.34Å; W80-L84 PolarHBondContact O-N 2.79Å; W80-K221 HydrophobicContact CZ2-CG 4.28Å; W80-K221 PolarHBondContact NE1-O 3.32Å; W80-C225 HydrophobicContact CH2-CB 3.97Å; W80-C225 HydrophobicContact CZ2-CB 3.58Å; W80-L228 HydrophobicContact CB-CD1 3.96Å; W80-L228 HydrophobicContact CD2-CD1 3.82Å; W80-L228 HydrophobicContact CE3-CD1 4.16Å; W80-L228 HydrophobicContact CG-CD1 3.73Å; W80-L313 HydrophobicContact CH2-CD2 4.27Å; W80-L313 HydrophobicContact CZ2-CD2 3.69Å; W80-L329 HydrophobicContact CZ3-CD2 3.92Å; W80-F332 HydrophobicContact CE3-CE2 4.3Å; W80-F332 AromaticContact CH2-CE2 3.7Å; W80-F332 HydrophobicContact CH2-CE2 3.7Å; W80-F332 HydrophobicContact CH2-CZ 4.39Å; W80-F332 AromaticContact CZ3-CD2 3.98Å; W80-F332 HydrophobicContact CZ3-CD2 3.98Å; W80-F332 AromaticContact CZ3-CE2 3.4Å; W80-F332 HydrophobicContact CZ3-CE2 3.4Å; W80-F332 VanDerWaalsContact CZ3-CE2 3.4Å; W80-F332 HydrophobicContact CZ3-CZ 4.18Å
81	E	98.7	Very high	96.3	Very high	50 Å²	50	41.9 Å²	41.9	23%	0.234	20%	0.201	C	C	.	.	H	α-helix	trans	-61.3	-39.9	173.1	-68.4	178.4	147.3	0	0	111.7	H49 L50 K51 I52 S77	H49-E81 PolarHBondContact ND1-O 3.43Å; L50-E81 WeakPolarHBondContact O-CA 3.46Å; L50-E81 VanDerWaalsContact O-CB 3.25Å; L50-E81 WeakPolarHBondContact O-CB 3.42Å; L50-E81 VanDerWaalsContact O-CG 3.25Å; L50-E81 WeakPolarHBondContact O-CG 3.31Å; K51-E81 WeakPolarHBondContact CA-OE1 3.46Å; I52-E81 HydrophobicContact CB-CG 4.32Å; I52-E81 HydrophobicContact CD1-CG 4.3Å; I52-E81 HydrophobicContact CG1-CG 4.15Å; I52-E81 PolarHBondContact N-OE1 2.77Å; S77-E81 WeakPolarHBondContact O-CB 3.42Å; S77-E81 VanDerWaalsContact O-CG 3.24Å; S77-E81 WeakPolarHBondContact O-CG 3.29Å; S77-E81 PolarHBondContact O-N 3.48Å
82	N	98.4	Very high	96	Very high	82 Å²	82	39.5 Å²	39.5	44%	0.439	19%	0.192	S	C	.	.	H	α-helix	trans	-71.9	-36.4	174.3	-70.2	-19.6	0	0	0	112	R78 Y79 W80 V344	R78-N82 WeakPolarHBondContact O-CB 3.39Å; R78-N82 PolarHBondContact O-N 3.45Å; R78-N82 VanDerWaalsContact O-N 3.15Å; R78-N82 PolarHBondContact O-ND2 2.82Å; Y79-N82 PolarHBondContact O-N 3.3Å; W80-N82 VanDerWaalsContact C-N 3.32Å; W80-N82 PolarHBondContact O-N 3.09Å; N82-V344 HydrophobicContact CB-CG1 4.19Å
83	A	98.5	Very high	95.8	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-75.5	-33.7	-175.5	0	0	0	0	0	114.1	Y79 W80 L329 V340 D341 V344	Y79-A83 HydrophobicContact CE1-CB 4.36Å; Y79-A83 WeakPolarHBondContact O-CB 3.12Å; Y79-A83 PolarHBondContact O-N 3.41Å; W80-A83 HydrophobicContact CE3-CB 4.41Å; W80-A83 PolarHBondContact O-N 2.86Å; A83-L329 HydrophobicContact CB-CD2 4.13Å; A83-V340 WeakPolarHBondContact O-CA 3.21Å; A83-D341 PolarHBondContact O-N 3.31Å; A83-V344 HydrophobicContact CB-CG2 3.51Å
84	L	98.7	Very high	95.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.5	-168.7	-58.2	-177.9	0	0	0	111.8	L50 W80 L228 F332 Y338 V340	L50-L84 HydrophobicContact CB-CB 4.06Å; L50-L84 WeakPolarHBondContact CB-O 3.45Å; L50-L84 HydrophobicContact CD2-CB 4.07Å; L50-L84 HydrophobicContact CD2-CD1 3.89Å; L50-L84 PolarHBondContact N-O 3.34Å; W80-L84 HydrophobicContact CE3-CD1 3.97Å; W80-L84 HydrophobicContact CE3-CG 4.18Å; W80-L84 WeakPolarHBondContact O-CB 3.34Å; W80-L84 PolarHBondContact O-N 2.79Å; L84-L228 HydrophobicContact CD1-CD1 3.97Å; L84-F332 HydrophobicContact CD1-CD1 4.37Å; L84-F332 HydrophobicContact CD1-CG 4.38Å; L84-F332 HydrophobicContact CD2-CB 3.73Å; L84-F332 HydrophobicContact CD2-CD2 4.03Å; L84-F332 HydrophobicContact CD2-CG 3.88Å; L84-Y338 HydrophobicContact CB-CD1 3.82Å; L84-Y338 HydrophobicContact CB-CE1 4.46Å; L84-Y338 HydrophobicContact CB-CG 4.16Å; L84-Y338 HydrophobicContact CD1-CD1 4.05Å; L84-Y338 HydrophobicContact CD1-CD2 4.28Å; L84-Y338 HydrophobicContact CD1-CE1 4.15Å; L84-Y338 HydrophobicContact CD1-CE2 4.4Å; L84-Y338 HydrophobicContact CD1-CG 4.12Å; L84-Y338 HydrophobicContact CD2-CG 4.23Å; L84-Y338 HydrophobicContact CG-CD1 4.4Å; L84-Y338 HydrophobicContact CG-CG 4.4Å; L84-V340 HydrophobicContact CD2-CG2 4.08Å
85	I	98.1	Very high	95.5	Very high	23 Å²	23	37.2 Å²	37.2	12%	0.118	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.3	179.9	-60.5	161.4	0	0	0	108	R47 L48 Y338 D339	R47-I85 HydrophobicContact CB-CG2 4.3Å; L48-I85 CarbonylContact O-C 3.54Å; I85-Y338 CarbonylContact O-C 3.5Å; I85-Y338 WeakPolarHBondContact O-CA 3.29Å; I85-D339 HydrophobicContact CB-CB 4.34Å; I85-D339 PolarHBondContact N-O 2.53Å; I85-D339 PolarHBondContact O-N 2.76Å
86	I	96.1	Very high	95.4	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.036	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.1	179.2	-65.2	166	0	0	0	108.6	R47 L48 L50 V88 N161 Y338	R47-I86 WeakPolarHBondContact CA-O 3.12Å; L48-I86 PolarHBondContact N-O 3.34Å; L48-I86 PolarHBondContact O-N 2.95Å; L50-I86 HydrophobicContact CB-CD1 4.36Å; L50-I86 HydrophobicContact CD1-CD1 3.86Å; I86-V88 HydrophobicContact CG2-CG2 4.33Å; I86-N161 HydrophobicContact CD1-CB 4.2Å; I86-Y338 HydrophobicContact CD1-CD1 4.35Å; I86-Y338 HydrophobicContact CD1-CE1 4.13Å; I86-Y338 HydrophobicContact CG1-CD1 3.8Å; I86-Y338 HydrophobicContact CG1-CE1 4.06Å
87	D	93.1	Very high	95.2	Very high	90 Å²	90	36.9 Å²	36.9	48%	0.481	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	103.9	165	-171.5	30	0	0	0	108.4	N46 K89	N46-D87 CarbonylContact O-C 3.55Å; N46-D87 WeakPolarHBondContact O-CA 3.32Å; D87-K89 PolarHBondContact O-N 2.93Å; D87-K89 VanDerWaalsContact O-N 3.08Å
88	V	91	Very high	95	Very high	16 Å²	16	36.8 Å²	36.8	10%	0.097	17%	0.174	C	C	.	.			trans	-71.7	101.4	-174.7	179.7	0	0	0	0	109.2	N46 L48 I86 I90 P160	N46-V88 PolarHBondContact O-N 2.63Å; L48-V88 HydrophobicContact CD1-CG2 3.92Å; L48-V88 HydrophobicContact CG-CG2 4.24Å; I86-V88 HydrophobicContact CG2-CG2 4.33Å; V88-I90 WeakPolarHBondContact CG1-O 3.43Å; V88-P160 HydrophobicContact CB-CB 4.49Å; V88-P160 HydrophobicContact CG1-CB 3.68Å; V88-P160 HydrophobicContact CG1-CG 4.07Å; V88-P160 HydrophobicContact CG2-CB 4.12Å
89	K	87.3	Confident	94.7	Very high	117 Å²	117	31 Å²	31	51%	0.509	16%	0.158	S	C	.	.	S	Bend	trans	-83	-29.8	175.1	-61.4	179.2	-174.3	170	0	112.5	D87 T191	D87-K89 PolarHBondContact O-N 2.93Å; D87-K89 VanDerWaalsContact O-N 3.08Å; K89-T191 HydrophobicContact CD-CG2 4.36Å
90	I	88.2	Confident	94.5	Very high	20 Å²	20	30 Å²	30	10%	0.103	16%	0.155	C	C	.	.			trans	-133.5	113.3	-173.8	-60.7	164.9	0	0	0	106.7	Y36 V88 E92 P160 Q190	Y36-I90 HydrophobicContact CD1-CG2 3.98Å; Y36-I90 HydrophobicContact CD2-CG2 4.44Å; Y36-I90 HydrophobicContact CE1-CB 4.42Å; Y36-I90 HydrophobicContact CE1-CD1 4.36Å; Y36-I90 HydrophobicContact CE1-CG2 3.7Å; Y36-I90 HydrophobicContact CE2-CD1 3.83Å; Y36-I90 HydrophobicContact CE2-CG2 4.17Å; Y36-I90 HydrophobicContact CG-CG2 4.37Å; Y36-I90 WeakPolarHBondContact OH-CD1 3.44Å; V88-I90 WeakPolarHBondContact CG1-O 3.43Å; I90-E92 VanDerWaalsContact C-N 3.3Å; I90-E92 HydrophobicContact CG2-CB 4.23Å; I90-E92 WeakPolarHBondContact CG2-OE2 3.31Å; I90-P160 WeakPolarHBondContact O-CB 3.05Å; I90-P160 WeakPolarHBondContact O-CG 3.46Å; I90-Q190 HydrophobicContact CD1-CB 3.47Å; I90-Q190 VanDerWaalsContact CD1-CB 3.47Å; I90-Q190 HydrophobicContact CD1-CG 3.86Å
91	P	88.9	Confident	94.2	Very high	40 Å²	40	34.8 Å²	34.8	26%	0.26	18%	0.177	S	C	.	.			trans	-76.1	-16.4	-176.2	30.3	-36.2	0	0	0	113.6	P160	P91-P160 VanDerWaalsContact O-CG 3.28Å; P91-P160 WeakPolarHBondContact O-CG 3.32Å
92	E	91.5	Very high	93.6	Very high	68 Å²	68	38.3 Å²	38.3	32%	0.318	20%	0.203	S	C	.	.	S	Bend	trans	-68.1	141.8	-178.5	-65.8	75.7	-168.3	0	0	112.1	Y36 I90	Y36-E92 HydrophobicContact CD1-CB 4.17Å; Y36-E92 HydrophobicContact CG-CB 4.41Å; I90-E92 VanDerWaalsContact C-N 3.3Å; I90-E92 HydrophobicContact CG2-CB 4.23Å; I90-E92 WeakPolarHBondContact CG2-OE2 3.31Å
93	N	94.3	Very high	93	Very high	36 Å²	36	36.3 Å²	36.3	19%	0.193	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-68.9	137.5	174.6	-66.7	-0.7	0	0	0	110.4	S37 R156 I158 A159	S37-N93 PolarHBondContact N-O 2.82Å; N93-R156 PolarHBondContact ND2-O 2.78Å; N93-I158 CarbonylContact C-O 3.52Å; N93-I158 VanDerWaalsContact CA-O 3.24Å; N93-I158 WeakPolarHBondContact CA-O 2.9Å; N93-I158 WeakPolarHBondContact CB-O 3.15Å; N93-A159 WeakPolarHBondContact OD1-CA 3.03Å
94	A	95.5	Very high	92.5	Very high	3 Å²	3	40.3 Å²	40.3	3%	0.025	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	134.8	171.6	0	0	0	0	0	110.4	V35 Y36 G157 I158 I195	V35-A94 CarbonylContact O-C 3.44Å; Y36-A94 HydrophobicContact CE1-CB 4.45Å; A94-G157 CarbonylContact O-C 3.36Å; A94-G157 WeakPolarHBondContact O-CA 3.08Å; A94-I158 PolarHBondContact N-O 2.8Å; A94-I158 PolarHBondContact O-N 2.8Å; A94-I195 HydrophobicContact CB-CD1 3.6Å
95	L	96.3	Very high	91.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	141.4	174.9	-64.9	157	0	0	0	108.4	S34 V35 E154 G157	S34-L95 CarbonylContact C-O 3.51Å; S34-L95 WeakPolarHBondContact CA-O 3.47Å; S34-L95 WeakPolarHBondContact CB-O 3.21Å; V35-L95 HydrophobicContact CG2-CB 4.13Å; V35-L95 PolarHBondContact N-O 2.69Å; V35-L95 PolarHBondContact O-N 2.59Å; L95-E154 HydrophobicContact CD1-CG 3.58Å; L95-E154 WeakPolarHBondContact CD1-OE2 3.23Å; L95-E154 HydrophobicContact CD2-CG 3.92Å; L95-E154 HydrophobicContact CG-CG 4.42Å; L95-G157 VanDerWaalsContact CD2-CA 3.47Å
96	I	96.4	Very high	91.2	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	124	168.2	-48.6	-56	0	0	0	107.7	S32 R98 I132 Y136 L137 S138 I158 S186 I195 L196	S32-I96 VanDerWaalsContact CB-CG2 3.41Å; I96-R98 PolarHBondContact O-N 2.87Å; I96-I132 HydrophobicContact CG2-CD1 4.26Å; I96-Y136 PolarHBondContact N-O 3.19Å; I96-L137 HydrophobicContact CB-CD2 3.76Å; I96-L137 HydrophobicContact CG2-CD2 4.15Å; I96-L137 CarbonylContact O-C 3.53Å; I96-L137 WeakPolarHBondContact O-CA 3.45Å; I96-S138 PolarHBondContact O-N 2.89Å; I96-I158 HydrophobicContact CD1-CD1 4.07Å; I96-I158 HydrophobicContact CG1-CD1 4.35Å; I96-S186 VanDerWaalsContact CD1-CB 3.49Å; I96-S186 WeakPolarHBondContact CD1-OG 3.11Å; I96-I195 HydrophobicContact CD1-CD1 4.11Å; I96-L196 HydrophobicContact CD1-CB 4.25Å; I96-L196 HydrophobicContact CD1-CD2 4.17Å; I96-L196 HydrophobicContact CG1-CD2 4.14Å
97	Q	94.2	Very high	90.5	Very high	21 Å²	21	53.1 Å²	53.1	10%	0.098	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-68.1	116.7	-176.8	-175.4	58.9	70.4	0	0	109.1	D33 I105 S138	D33-Q97 HydrophobicContact CB-CB 4.06Å; D33-Q97 WeakPolarHBondContact O-CB 3.33Å; D33-Q97 PolarHBondContact O-N 2.72Å; Q97-I105 HydrophobicContact CG-CD1 3.59Å; Q97-S138 PolarHBondContact NE2-OG 2.82Å
98	R	93.9	Very high	89.4	Confident	3 Å²	3	49.9 Å²	49.9	1%	0.011	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-56.8	155.6	169.3	-76.5	-169.3	174.3	-95.1	-0.3	110.2	I96 I105 S122 E125 D134 L137 S138 C140	I96-R98 PolarHBondContact O-N 2.87Å; R98-I105 WeakPolarHBondContact O-CD1 3.43Å; R98-S122 PolarHBondContact NH1-O 3.1Å; R98-E125 WeakPolarHBondContact CA-OE1 2.89Å; R98-E125 HydrophobicContact CG-CG 4.22Å; R98-D134 IonicContact CZ-OD1 3.01Å; R98-D134 IonicContact NH2-OD1 3.74Å; R98-D134 PolarHBondContact NH2-OD1 2.86Å; R98-D134 IonicContact NH2-OD2 2.59Å; R98-D134 PolarHBondContact NH2-OD2 2.84Å; R98-L137 HydrophobicContact CG-CB 3.92Å; R98-L137 HydrophobicContact CG-CD1 4.27Å; R98-S138 WeakPolarHBondContact CD-O 2.93Å; R98-S138 WeakPolarHBondContact CG-O 3.45Å; R98-S138 PolarHBondContact N-OG 2.88Å; R98-C140 HydrophobicContact CB-CB 4.06Å
99	T	93.1	Very high	88.2	Confident	43 Å²	43	58.9 Å²	58.9	26%	0.264	30%	0.301	S	S	.	.			trans	-110.2	168.9	176.6	60	0	0	0	0	111	S122 E125	T99-S122 WeakPolarHBondContact O-CB 3.4Å; T99-S122 PolarHBondContact O-N 2.99Å; T99-S122 PolarHBondContact O-OG 3.01Å; T99-S122 PolarHBondContact OG1-OG 3.47Å; T99-E125 PolarHBondContact N-OE1 3.28Å; T99-E125 PolarHBondContact OG1-OE1 3.18Å; T99-E125 VanDerWaalsContact OG1-OE1 3.07Å; T99-E125 PolarHBondContact OG1-OE2 3.04Å
100	C	93.6	Very high	87.1	Confident	10 Å²	10	61.1 Å²	61.1	7%	0.068	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-97.9	157.4	167.5	-46.6	0	0	0	0	109.5	T102 S103 C116 D119 Y120 S122	C100-T102 VanDerWaalsContact C-N 3.32Å; C100-T102 PolarHBondContact O-N 2.81Å; C100-S103 VanDerWaalsContact CB-O 3.31Å; C100-S103 WeakPolarHBondContact CB-O 3.41Å; C100-C116 VanDerWaalsContact CA-SG 3.55Å; C100-C116 HydrophobicContact CB-CB 3.72Å; C100-C116 WeakPolarHBondContact CB-SG 3.46Å; C100-C116 WeakPolarHBondContact SG-CA 3.34Å; C100-C116 WeakPolarHBondContact SG-CB 3.49Å; C100-C116 CovalentContact SG-SG 2.03Å; C100-C116 PolarHBondContact SG-SG 2.79Å; C100-D119 WeakPolarHBondContact CB-OD2 3.22Å; C100-Y120 CarbonylContact C-O 3.58Å; C100-Y120 WeakPolarHBondContact CA-O 3.28Å; C100-S122 VanDerWaalsContact C-OG 3.29Å; C100-S122 PolarHBondContact O-OG 2.93Å
101	E	91.5	Very high	86	Confident	101 Å²	101	64 Å²	64	47%	0.472	33%	0.33	S	S	.	.	S	Bend	trans	-62.6	-38.1	-176.1	-70.8	-174.2	164.7	0	0	112.4	Y120	E101-Y120 PolarHBondContact N-O 2.81Å
102	T	87.4	Confident	85.2	Confident	125 Å²	125	67.9 Å²	67.9	77%	0.767	35%	0.349	S	S	*	.	S	Bend	trans	-130.4	-24.8	-174.7	61.3	0	0	0	0	114.4	C100 D119	C100-T102 VanDerWaalsContact C-N 3.32Å; C100-T102 PolarHBondContact O-N 2.81Å; T102-D119 PolarHBondContact N-OD2 3.22Å; T102-D119 PolarHBondContact OG1-OD1 3.35Å; T102-D119 PolarHBondContact OG1-OD2 2.63Å; T102-D119 VanDerWaalsContact OG1-OD2 3.12Å
103	S	85.7	Confident	84.7	Confident	40 Å²	40	70.8 Å²	70.8	28%	0.28	36%	0.357	S	S	.	.	S	Bend	trans	-109.1	168.9	-174	67.6	0	0	0	0	113	C100 D119	C100-S103 VanDerWaalsContact CB-O 3.31Å; C100-S103 WeakPolarHBondContact CB-O 3.41Å; S103-D119 VanDerWaalsContact CB-OD2 3.29Å; S103-D119 WeakPolarHBondContact CB-OD2 3.38Å; S103-D119 PolarHBondContact N-OD2 3.15Å; S103-D119 WeakPolarHBondContact OG-CB 3.46Å; S103-D119 PolarHBondContact OG-OD2 2.98Å
104	S	86.8	Confident	84	Confident	84 Å²	84	70.4 Å²	70.4	59%	0.587	36%	0.357	S	S	*	.			trans	-82.3	150.9	167.2	70.4	0	0	0	0	110.6	R106	S104-R106 PolarHBondContact O-N 2.92Å
105	I	86.2	Confident	83.7	Confident	48 Å²	48	70.4 Å²	70.4	25%	0.246	36%	0.356	C	S	.	.			trans	-58.9	140.3	167.6	-77.5	164.6	0	0	0	110.4	Q97 R98 P114	Q97-I105 HydrophobicContact CG-CD1 3.59Å; R98-I105 WeakPolarHBondContact O-CD1 3.43Å; I105-P114 HydrophobicContact CG2-CB 3.39Å
106	R	84.9	Confident	83.4	Confident	116 Å²	116	70.4 Å²	70.4	44%	0.438	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-119.5	147.7	170.7	-57.8	-169.7	-176.5	-152.7	2.2	110.3	S104 P114 H115 R117	S104-R106 PolarHBondContact O-N 2.92Å; R106-P114 CarbonylContact O-C 3.6Å; R106-P114 WeakPolarHBondContact O-CA 2.98Å; R106-H115 PolarHBondContact N-O 2.79Å; R106-H115 PolarHBondContact O-CE1 2.88Å; R106-H115 PolarHBondContact O-N 3.32Å; R106-H115 PolarHBondContact O-ND1 3.24Å; R106-R117 VanDerWaalsContact NH1-NH1 3.12Å
107	K	80.8	Confident	83	Confident	134 Å²	134	76 Å²	76	58%	0.583	38%	0.377	S	S	*	.			trans	-103.9	145.7	163.8	-63.4	-177.6	-177.9	-178.8	0	108
108	T	69.7	Low	82.6	Confident	22 Å²	22	85 Å²	85	14%	0.135	41%	0.41	C	S	.	.			trans	-103.7	148.2	168.2	52.7	0	0	0	0	109.8	L110 E111 N112 H115	T108-L110 PolarHBondContact O-N 3.31Å; T108-E111 PolarHBondContact OG1-N 3.19Å; T108-N112 WeakPolarHBondContact O-CA 2.87Å; T108-N112 PolarHBondContact O-N 3.41Å; T108-H115 WeakPolarHBondContact CG2-CE1 3.5Å
109	E	66.3	Low	82.2	Confident	205 Å²	205	85.3 Å²	85.3	96%	0.958	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-36.3	173.7	-67	176.9	175.7	0	0	111.7
110	L	63.9	Low	82.2	Confident	164 Å²	164	88.8 Å²	88.8	86%	0.859	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-41.4	-174.9	-71.8	161.1	0	0	0	114.4	T108	T108-L110 PolarHBondContact O-N 3.31Å
111	E	65.8	Low	82.1	Confident	81 Å²	81	88.5 Å²	88.5	38%	0.379	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-14.1	-174.8	-66.2	-178	168.3	0	0	113.2	T108 R113 S148	T108-E111 PolarHBondContact OG1-N 3.19Å; E111-R113 HydrophobicContact CB-CB 4.29Å; E111-R113 WeakPolarHBondContact O-CG 3.04Å; E111-R113 PolarHBondContact O-N 3.29Å; E111-S148 VanDerWaalsContact OE2-CB 3.29Å; E111-S148 WeakPolarHBondContact OE2-CB 3.29Å; E111-S148 PolarHBondContact OE2-OG 3.07Å
112	N	72.3	Confident	82.3	Confident	122 Å²	122	84.5 Å²	84.5	65%	0.652	40%	0.402	S	S	*	.			trans	46.3	15.8	-170.1	-159.5	23.5	0	0	0	114.9	T108	T108-N112 WeakPolarHBondContact O-CA 2.87Å; T108-N112 PolarHBondContact O-N 3.41Å
113	R	79.2	Confident	82.5	Confident	129 Å²	129	86 Å²	86	49%	0.487	40%	0.398	S	S	.	.			trans	-96.7	130.7	-176.2	-76.3	169	-169.6	-148.7	1.2	111.1	E111 H115 Y141	E111-R113 HydrophobicContact CB-CB 4.29Å; E111-R113 WeakPolarHBondContact O-CG 3.04Å; E111-R113 PolarHBondContact O-N 3.29Å; R113-H115 PolarHBondContact O-N 3.28Å; R113-H115 PolarHBondContact O-ND1 2.64Å; R113-Y141 HydrophobicContact CB-CE2 4.43Å; R113-Y141 HydrophobicContact CG-CE2 4.48Å
114	P	81.5	Confident	82.9	Confident	28 Å²	28	89.6 Å²	89.6	18%	0.182	41%	0.412	C	S	.	.			trans	-66.1	127.2	174.2	27	-32.1	0	0	0	110.4	I105 R106 Y141	I105-P114 HydrophobicContact CG2-CB 3.39Å; R106-P114 CarbonylContact O-C 3.6Å; R106-P114 WeakPolarHBondContact O-CA 2.98Å; P114-Y141 WeakPolarHBondContact O-CD2 3.37Å
115	H	87.5	Confident	83.3	Confident	3 Å²	3	86.2 Å²	86.2	1%	0.014	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	154.6	-180	64.1	-81	0	0	0	112.9	R106 T108 R113 Y141 R143	R106-H115 PolarHBondContact N-O 2.79Å; R106-H115 PolarHBondContact O-CE1 2.88Å; R106-H115 PolarHBondContact O-N 3.32Å; R106-H115 PolarHBondContact O-ND1 3.24Å; T108-H115 WeakPolarHBondContact CG2-CE1 3.5Å; R113-H115 PolarHBondContact O-N 3.28Å; R113-H115 PolarHBondContact O-ND1 2.64Å; H115-Y141 CarbonylContact C-O 3.59Å; H115-Y141 WeakPolarHBondContact CA-O 3.15Å; H115-Y141 VanDerWaalsContact CB-O 3.31Å; H115-Y141 WeakPolarHBondContact CB-O 3.45Å; H115-R143 HydrophobicContact CB-CB 4.34Å; H115-R143 WeakPolarHBondContact CD2-CB 3.06Å; H115-R143 WeakPolarHBondContact NE2-CD 3.07Å
116	C	91.1	Very high	83.7	Confident	0 Å²	0	87 Å²	87	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	114.1	170.5	-58	0	0	0	0	109.2	C100 D119 C140 Y141 R143	C100-C116 VanDerWaalsContact CA-SG 3.55Å; C100-C116 HydrophobicContact CB-CB 3.72Å; C100-C116 WeakPolarHBondContact CB-SG 3.46Å; C100-C116 WeakPolarHBondContact SG-CA 3.34Å; C100-C116 WeakPolarHBondContact SG-CB 3.49Å; C100-C116 CovalentContact SG-SG 2.03Å; C100-C116 PolarHBondContact SG-SG 2.79Å; C116-D119 HydrophobicContact CB-CB 4.16Å; C116-C140 VanDerWaalsContact SG-SG 3.66Å; C116-Y141 PolarHBondContact N-O 2.98Å; C116-R143 PolarHBondContact O-N 3.48Å
117	R	87.7	Confident	84.1	Confident	118 Å²	118	81.5 Å²	81.5	45%	0.445	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	116.9	-175.2	-179.6	-177.3	-178.1	-179.2	4.1	110	R106 D119	R106-R117 VanDerWaalsContact NH1-NH1 3.12Å; R117-D119 PolarHBondContact O-N 3.29Å
118	R	84.6	Confident	84.6	Confident	209 Å²	209	76.6 Å²	76.6	79%	0.789	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	29	-176.2	-59	179.2	177.2	164.8	-2.8	112.6	R143	R118-R143 PolarHBondContact N-O 3.34Å
119	D	87.5	Confident	85.6	Confident	9 Å²	9	79.6 Å²	79.6	5%	0.048	37%	0.367	C	S	.	.	S	Bend	trans	-144.7	174.7	-175.8	-170	21.4	0	0	0	109.2	C100 T102 S103 C116 R117	C100-D119 WeakPolarHBondContact CB-OD2 3.22Å; T102-D119 PolarHBondContact N-OD2 3.22Å; T102-D119 PolarHBondContact OG1-OD1 3.35Å; T102-D119 PolarHBondContact OG1-OD2 2.63Å; T102-D119 VanDerWaalsContact OG1-OD2 3.12Å; S103-D119 VanDerWaalsContact CB-OD2 3.29Å; S103-D119 WeakPolarHBondContact CB-OD2 3.38Å; S103-D119 PolarHBondContact N-OD2 3.15Å; S103-D119 WeakPolarHBondContact OG-CB 3.46Å; S103-D119 PolarHBondContact OG-OD2 2.98Å; C116-D119 HydrophobicContact CB-CB 4.16Å; R117-D119 PolarHBondContact O-N 3.29Å
120	Y	91.5	Very high	86.9	Confident	116 Å²	116	70 Å²	70	46%	0.455	32%	0.323	S	S	.	.			trans	-111.3	142.4	-179.2	-57.2	-87.2	0	0	0	111.3	C100 E101 S122 N142 K144	C100-Y120 CarbonylContact C-O 3.58Å; C100-Y120 WeakPolarHBondContact CA-O 3.28Å; E101-Y120 PolarHBondContact N-O 2.81Å; Y120-S122 PolarHBondContact O-N 3.25Å; Y120-N142 WeakPolarHBondContact CA-OD1 3.5Å; Y120-N142 WeakPolarHBondContact CD1-ND2 3.39Å; Y120-K144 PolarHBondContact OH-NZ 2.99Å
121	C	93.1	Very high	88.5	Confident	5 Å²	5	65.3 Å²	65.3	3%	0.034	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-56.8	133.6	165.9	-64.5	0	0	0	0	110.6	K123 C140 N142 I151	C121-K123 PolarHBondContact O-N 3.11Å; C121-C140 HydrophobicContact CB-CB 3.83Å; C121-C140 WeakPolarHBondContact CB-SG 3.46Å; C121-C140 WeakPolarHBondContact SG-CB 3.39Å; C121-C140 CovalentContact SG-SG 2.03Å; C121-C140 PolarHBondContact SG-SG 3.04Å; C121-N142 PolarHBondContact N-OD1 2.69Å; C121-N142 PolarHBondContact SG-OD1 2.9Å; C121-I151 HydrophobicContact CB-CB 4.31Å; C121-I151 HydrophobicContact CB-CG2 4.27Å
122	S	93.7	Very high	89.9	Confident	16 Å²	16	61.5 Å²	61.5	11%	0.112	28%	0.283	C	S	.	.			trans	-56.4	131	171.4	-66.4	0	0	0	0	109.9	R98 T99 C100 Y120 M124 E125	R98-S122 PolarHBondContact NH1-O 3.1Å; T99-S122 WeakPolarHBondContact O-CB 3.4Å; T99-S122 PolarHBondContact O-N 2.99Å; T99-S122 PolarHBondContact O-OG 3.01Å; T99-S122 PolarHBondContact OG1-OG 3.47Å; C100-S122 VanDerWaalsContact C-OG 3.29Å; C100-S122 PolarHBondContact O-OG 2.93Å; Y120-S122 PolarHBondContact O-N 3.25Å; S122-M124 PolarHBondContact O-N 3.01Å; S122-E125 WeakPolarHBondContact CB-OE1 3.09Å
123	K	92.6	Very high	91.2	Very high	158 Å²	158	57.2 Å²	57.2	69%	0.687	26%	0.262	S	S	*	.	S	Bend	trans	-61.8	-34.6	-178.6	-68.2	178.3	-179.8	172.2	0	112.5	C121	C121-K123 PolarHBondContact O-N 3.11Å
124	M	93.9	Very high	92	Very high	115 Å²	115	55.3 Å²	55.3	57%	0.567	26%	0.262	S	S	*	.			trans	-145.1	153.1	-178.8	64.2	-174.2	72.7	0	0	109.9	S122 T131	S122-M124 PolarHBondContact O-N 3.01Å; M124-T131 HydrophobicContact CB-CG2 4.39Å
125	E	94.7	Very high	92.8	Very high	13 Å²	13	58.4 Å²	58.4	6%	0.061	27%	0.274	C	S	.	.			trans	-110.1	142.6	169.7	-58.6	-58.5	147.8	0	0	108.9	R98 T99 S122 I132 L137	R98-E125 WeakPolarHBondContact CA-OE1 2.89Å; R98-E125 HydrophobicContact CG-CG 4.22Å; T99-E125 PolarHBondContact N-OE1 3.28Å; T99-E125 PolarHBondContact OG1-OE1 3.18Å; T99-E125 VanDerWaalsContact OG1-OE1 3.07Å; T99-E125 PolarHBondContact OG1-OE2 3.04Å; S122-E125 WeakPolarHBondContact CB-OE1 3.09Å; E125-I132 HydrophobicContact CB-CB 4.42Å; E125-I132 HydrophobicContact CB-CD1 4.14Å; E125-I132 PolarHBondContact O-N 2.98Å; E125-L137 HydrophobicContact CB-CD1 4Å; E125-L137 HydrophobicContact CB-CD2 4.01Å; E125-L137 HydrophobicContact CG-CD1 3.75Å; E125-L137 HydrophobicContact CG-CD2 3.95Å; E125-L137 HydrophobicContact CG-CG 4.49Å
126	T	94.5	Very high	93.2	Very high	64 Å²	64	58.3 Å²	58.3	39%	0.393	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	149.1	177.2	66.5	0	0	0	0	110.7	F128 T130	T126-F128 WeakPolarHBondContact CB-O 3.4Å; T126-F128 PolarHBondContact OG1-O 3.03Å; T126-T130 CarbonylContact C-O 3.49Å; T126-T130 VanDerWaalsContact CA-O 3.25Å; T126-T130 WeakPolarHBondContact CA-O 3.35Å; T126-T130 WeakPolarHBondContact CB-O 3.13Å
127	C	94.1	Very high	93.5	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.007	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.3	157.6	179.1	0	0	0	0	107.4	N129 T130 I132 L166 C185	C127-N129 PolarHBondContact O-N 3.04Å; C127-T130 PolarHBondContact N-O 3.28Å; C127-T130 PolarHBondContact O-N 2.94Å; C127-I132 HydrophobicContact CB-CD1 4.41Å; C127-I132 HydrophobicContact CB-CG1 4.46Å; C127-L166 HydrophobicContact CB-CD1 3.74Å; C127-C185 HydrophobicContact CB-CB 3.61Å; C127-C185 WeakPolarHBondContact CB-SG 3.33Å; C127-C185 WeakPolarHBondContact SG-CB 3.06Å; C127-C185 CovalentContact SG-SG 2.01Å; C127-C185 PolarHBondContact SG-SG 2.86Å
128	F	92.3	Very high	93.8	Very high	31 Å²	31	52.9 Å²	52.9	14%	0.136	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	50	-121	-162.8	-57.1	-89	0	0	0	110.1	V26 N28 T126 F172 W181 I198	V26-F128 HydrophobicContact CG1-CE1 3.59Å; V26-F128 HydrophobicContact CG1-CZ 3.85Å; N28-F128 VanDerWaalsContact CA-CZ 3.44Å; N28-F128 HydrophobicContact CB-CE1 4.22Å; N28-F128 HydrophobicContact CB-CE2 3.72Å; N28-F128 HydrophobicContact CB-CZ 3.47Å; N28-F128 VanDerWaalsContact CB-CZ 3.47Å; T126-F128 WeakPolarHBondContact CB-O 3.4Å; T126-F128 PolarHBondContact OG1-O 3.03Å; F128-F172 HydrophobicContact CB-CE1 4.48Å; F128-F172 HydrophobicContact CD1-CE1 4.02Å; F128-W181 HydrophobicContact CB-CH2 4.31Å; F128-W181 HydrophobicContact CD1-CH2 4.28Å; F128-W181 AromaticContact CD2-CH2 3.91Å; F128-W181 HydrophobicContact CD2-CH2 3.91Å; F128-W181 AromaticContact CD2-CZ3 3.97Å; F128-W181 HydrophobicContact CD2-CZ3 3.97Å; F128-W181 HydrophobicContact CE2-CH2 4.23Å; F128-W181 AromaticContact CE2-CZ3 3.85Å; F128-W181 HydrophobicContact CE2-CZ3 3.85Å; F128-W181 AromaticContact CG-CH2 3.92Å; F128-W181 HydrophobicContact CG-CH2 3.92Å; F128-W181 HydrophobicContact CG-CZ3 4.37Å; F128-W181 HydrophobicContact CZ-CZ3 4.15Å; F128-I198 HydrophobicContact CD2-CD1 4.47Å; F128-I198 HydrophobicContact CD2-CG2 3.81Å; F128-I198 HydrophobicContact CE2-CG2 3.81Å
129	N	90.2	Very high	94.2	Very high	85 Å²	85	43.4 Å²	43.4	46%	0.455	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	11.5	-177.7	-62.4	-2.7	0	0	0	112.9	C127 Y170	C127-N129 PolarHBondContact O-N 3.04Å; N129-Y170 HydrophobicContact CB-CD2 4.22Å; N129-Y170 HydrophobicContact CB-CE2 4.25Å
130	T	94	Very high	94.5	Very high	3 Å²	3	43 Å²	43	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.5	-177	-55.2	0	0	0	0	111.3	D57 T126 C127 L166 S168 I198	D57-T130 HydrophobicContact CB-CG2 4.37Å; T126-T130 CarbonylContact C-O 3.49Å; T126-T130 VanDerWaalsContact CA-O 3.25Å; T126-T130 WeakPolarHBondContact CA-O 3.35Å; T126-T130 WeakPolarHBondContact CB-O 3.13Å; C127-T130 PolarHBondContact N-O 3.28Å; C127-T130 PolarHBondContact O-N 2.94Å; T130-L166 HydrophobicContact CG2-CB 3.97Å; T130-L166 HydrophobicContact CG2-CD1 4.16Å; T130-L166 HydrophobicContact CG2-CD2 4.46Å; T130-L166 HydrophobicContact CG2-CG 4.42Å; T130-S168 WeakPolarHBondContact OG1-CB 3.44Å; T130-I198 WeakPolarHBondContact OG1-CD1 3.39Å
131	T	95.8	Very high	94.5	Very high	66 Å²	66	39.2 Å²	39.2	41%	0.405	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	131.5	-178	-53.8	0	0	0	0	111.7	M124	M124-T131 HydrophobicContact CB-CG2 4.39Å
132	I	97.3	Very high	94.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-82.8	124.8	172.1	-56.5	169.6	0	0	0	108	I96 E125 C127 D134 L137 L166 L196	I96-I132 HydrophobicContact CG2-CD1 4.26Å; E125-I132 HydrophobicContact CB-CB 4.42Å; E125-I132 HydrophobicContact CB-CD1 4.14Å; E125-I132 PolarHBondContact O-N 2.98Å; C127-I132 HydrophobicContact CB-CD1 4.41Å; C127-I132 HydrophobicContact CB-CG1 4.46Å; I132-D134 PolarHBondContact O-N 3.29Å; I132-L137 HydrophobicContact CB-CD2 4.12Å; I132-L137 HydrophobicContact CG2-CD2 3.62Å; I132-L137 HydrophobicContact CG2-CG 4.37Å; I132-L166 HydrophobicContact CG1-CD1 4.15Å; I132-L196 HydrophobicContact CD1-CD2 3.6Å; I132-L196 HydrophobicContact CG1-CD2 3.94Å; I132-L196 HydrophobicContact CG2-CD2 4.27Å
133	P	97.7	Very high	94	Very high	33 Å²	33	41.9 Å²	41.9	21%	0.214	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-60.8	136.7	179.4	-25.9	34.3	0	0	0	113.3	V55 Q135 Y136	V55-P133 HydrophobicContact CB-CG 4.43Å; V55-P133 HydrophobicContact CG1-CG 3.51Å; V55-P133 HydrophobicContact CG2-CG 4.12Å; P133-Q135 HydrophobicContact CB-CG 4.14Å; P133-Q135 PolarHBondContact O-N 3.27Å; P133-Y136 HydrophobicContact CB-CD2 3.86Å; P133-Y136 HydrophobicContact CB-CE2 4.08Å; P133-Y136 HydrophobicContact CG-CD2 4.08Å; P133-Y136 HydrophobicContact CG-CE2 4.07Å; P133-Y136 PolarHBondContact O-N 3.27Å
134	D	96.9	Very high	93.5	Very high	89 Å²	89	38.9 Å²	38.9	48%	0.476	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-52.3	-31.1	-178.5	-79.4	-1.4	0	0	0	114.3	R98 I132 Y136 L137	R98-D134 IonicContact CZ-OD1 3.01Å; R98-D134 IonicContact NH2-OD1 3.74Å; R98-D134 PolarHBondContact NH2-OD1 2.86Å; R98-D134 IonicContact NH2-OD2 2.59Å; R98-D134 PolarHBondContact NH2-OD2 2.84Å; I132-D134 PolarHBondContact O-N 3.29Å; D134-Y136 PolarHBondContact O-N 3.01Å; D134-L137 PolarHBondContact O-N 3.24Å
135	Q	97.2	Very high	92.9	Very high	92 Å²	92	44.1 Å²	44.1	43%	0.43	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-62.8	-13.7	178.3	71.7	-178.1	-1.3	0	0	114.1	P133 G155 R156 G157	P133-Q135 HydrophobicContact CB-CG 4.14Å; P133-Q135 PolarHBondContact O-N 3.27Å; Q135-G155 CarbonylContact O-C 3.58Å; Q135-G155 WeakPolarHBondContact O-CA 3.38Å; Q135-R156 HydrophobicContact CB-CG 4.23Å; Q135-R156 VanDerWaalsContact O-CG 3.27Å; Q135-R156 WeakPolarHBondContact O-CG 3.19Å; Q135-R156 PolarHBondContact O-N 3.23Å; Q135-G157 PolarHBondContact O-N 2.8Å
136	Y	97.7	Very high	92	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.008	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-104.1	-3.4	176	-57.5	-61.3	0	0	0	113.4	I53 V55 I96 P133 D134 R156 I158 V164	I53-Y136 WeakPolarHBondContact CG2-OH 3.4Å; V55-Y136 HydrophobicContact CG2-CE2 4.23Å; I96-Y136 PolarHBondContact N-O 3.19Å; P133-Y136 HydrophobicContact CB-CD2 3.86Å; P133-Y136 HydrophobicContact CB-CE2 4.08Å; P133-Y136 HydrophobicContact CG-CD2 4.08Å; P133-Y136 HydrophobicContact CG-CE2 4.07Å; P133-Y136 PolarHBondContact O-N 3.27Å; D134-Y136 PolarHBondContact O-N 3.01Å; Y136-R156 VanDerWaalsContact CE1-CZ 3.49Å; Y136-R156 PolarHBondContact OH-NH2 2.95Å; Y136-R156 VanDerWaalsContact OH-NH2 3.11Å; Y136-I158 HydrophobicContact CD1-CD1 4.47Å; Y136-I158 HydrophobicContact CD1-CG1 3.55Å; Y136-I158 HydrophobicContact CE1-CG1 4.21Å; Y136-I158 HydrophobicContact CG-CG1 4.14Å; Y136-V164 HydrophobicContact CD1-CG2 3.86Å; Y136-V164 HydrophobicContact CD2-CG1 4.12Å; Y136-V164 HydrophobicContact CD2-CG2 4.19Å; Y136-V164 HydrophobicContact CE1-CG2 3.49Å; Y136-V164 VanDerWaalsContact CE1-CG2 3.49Å; Y136-V164 HydrophobicContact CE2-CB 4.49Å; Y136-V164 HydrophobicContact CE2-CG1 3.75Å; Y136-V164 HydrophobicContact CE2-CG2 3.86Å; Y136-V164 HydrophobicContact CG-CG2 4.18Å; Y136-V164 VanDerWaalsContact CZ-CG2 3.5Å
137	L	96.7	Very high	91.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-94.5	147.6	-173.1	-59.1	-175.7	0	0	0	111.4	I96 R98 E125 I132 D134 G155	I96-L137 HydrophobicContact CB-CD2 3.76Å; I96-L137 HydrophobicContact CG2-CD2 4.15Å; I96-L137 CarbonylContact O-C 3.53Å; I96-L137 WeakPolarHBondContact O-CA 3.45Å; R98-L137 HydrophobicContact CG-CB 3.92Å; R98-L137 HydrophobicContact CG-CD1 4.27Å; E125-L137 HydrophobicContact CB-CD1 4Å; E125-L137 HydrophobicContact CB-CD2 4.01Å; E125-L137 HydrophobicContact CG-CD1 3.75Å; E125-L137 HydrophobicContact CG-CD2 3.95Å; E125-L137 HydrophobicContact CG-CG 4.49Å; I132-L137 HydrophobicContact CB-CD2 4.12Å; I132-L137 HydrophobicContact CG2-CD2 3.62Å; I132-L137 HydrophobicContact CG2-CG 4.37Å; D134-L137 PolarHBondContact O-N 3.24Å; L137-G155 PolarHBondContact O-N 2.95Å
138	S	94.7	Very high	91	Very high	4 Å²	4	53.3 Å²	53.3	3%	0.028	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-64.8	161.9	172.5	74	0	0	0	0	111.5	I96 Q97 R98	I96-S138 PolarHBondContact O-N 2.89Å; Q97-S138 PolarHBondContact NE2-OG 2.82Å; R98-S138 WeakPolarHBondContact CD-O 2.93Å; R98-S138 WeakPolarHBondContact CG-O 3.45Å; R98-S138 PolarHBondContact N-OG 2.88Å
139	A	92.9	Very high	90.9	Very high	10 Å²	10	58.9 Å²	58.9	8%	0.083	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-59.9	156.8	164.4	0	0	0	0	0	111.2	Y141 L150 H152 E154	A139-Y141 HydrophobicContact CB-CE2 3.91Å; A139-L150 HydrophobicContact CB-CD1 4.23Å; A139-H152 VanDerWaalsContact CA-O 3.26Å; A139-H152 WeakPolarHBondContact CA-O 3.16Å; A139-E154 HydrophobicContact CB-CB 4.03Å
140	C	92.8	Very high	91	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.007	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	138.5	171	-174.3	0	0	0	0	111.7	R98 C116 C121 I151 H152	R98-C140 HydrophobicContact CB-CB 4.06Å; C116-C140 VanDerWaalsContact SG-SG 3.66Å; C121-C140 HydrophobicContact CB-CB 3.83Å; C121-C140 WeakPolarHBondContact CB-SG 3.46Å; C121-C140 WeakPolarHBondContact SG-CB 3.39Å; C121-C140 CovalentContact SG-SG 2.03Å; C121-C140 PolarHBondContact SG-SG 3.04Å; C140-I151 PolarHBondContact O-N 3.33Å; C140-H152 PolarHBondContact N-O 3.26Å; C140-H152 PolarHBondContact O-N 3.43Å
141	Y	92.2	Very high	91	Very high	36 Å²	36	62 Å²	62	14%	0.141	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138.3	-177.1	-59.5	-100.9	0	0	0	110.7	R113 P114 H115 C116 A139 K149 L150	R113-Y141 HydrophobicContact CB-CE2 4.43Å; R113-Y141 HydrophobicContact CG-CE2 4.48Å; P114-Y141 WeakPolarHBondContact O-CD2 3.37Å; H115-Y141 CarbonylContact C-O 3.59Å; H115-Y141 WeakPolarHBondContact CA-O 3.15Å; H115-Y141 VanDerWaalsContact CB-O 3.31Å; H115-Y141 WeakPolarHBondContact CB-O 3.45Å; C116-Y141 PolarHBondContact N-O 2.98Å; A139-Y141 HydrophobicContact CB-CE2 3.91Å; Y141-K149 CarbonylContact C-O 3.57Å; Y141-K149 WeakPolarHBondContact CA-O 3.16Å; Y141-L150 HydrophobicContact CD1-CB 3.92Å; Y141-L150 HydrophobicContact CD1-CD1 4.01Å; Y141-L150 HydrophobicContact CD2-CD1 4.47Å; Y141-L150 HydrophobicContact CE1-CB 3.72Å; Y141-L150 HydrophobicContact CE1-CD1 3.5Å; Y141-L150 HydrophobicContact CE1-CG 4.19Å; Y141-L150 HydrophobicContact CE2-CD1 4.03Å; Y141-L150 HydrophobicContact CG-CD1 4.45Å
142	N	90.6	Very high	90.9	Very high	17 Å²	17	60.6 Å²	60.6	9%	0.091	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.9	167.7	-71.9	-4.9	0	0	0	109.2	Y120 C121 K149 I151	Y120-N142 WeakPolarHBondContact CA-OD1 3.5Å; Y120-N142 WeakPolarHBondContact CD1-ND2 3.39Å; C121-N142 PolarHBondContact N-OD1 2.69Å; C121-N142 PolarHBondContact SG-OD1 2.9Å; N142-K149 PolarHBondContact N-O 2.89Å; N142-K149 PolarHBondContact O-N 2.81Å; N142-I151 HydrophobicContact CB-CD1 4.14Å; N142-I151 HydrophobicContact CB-CG1 3.94Å; N142-I151 VanDerWaalsContact CG-CG1 3.44Å; N142-I151 WeakPolarHBondContact ND2-CG1 2.98Å
143	R	85.7	Confident	90.7	Very high	59 Å²	59	64.8 Å²	64.8	22%	0.223	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	117.4	175.3	-164.3	173	-173.7	-155.5	2	111.8	H115 C116 R118 A146 K147	H115-R143 HydrophobicContact CB-CB 4.34Å; H115-R143 WeakPolarHBondContact CD2-CB 3.06Å; H115-R143 WeakPolarHBondContact NE2-CD 3.07Å; C116-R143 PolarHBondContact O-N 3.48Å; R118-R143 PolarHBondContact N-O 3.34Å; R143-A146 PolarHBondContact NE-O 3.07Å; R143-A146 PolarHBondContact NH2-O 3.33Å; R143-K147 WeakPolarHBondContact CA-O 3.33Å
144	K	81.8	Confident	90.5	Very high	95 Å²	95	66.5 Å²	66.5	41%	0.413	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.8	172.8	-70.1	-173.7	179	-176.8	0	109.5	Y120 A146 K147	Y120-K144 PolarHBondContact OH-NZ 2.99Å; K144-A146 VanDerWaalsContact C-N 3.35Å; K144-A146 PolarHBondContact O-N 2.85Å; K144-K147 PolarHBondContact N-O 3.33Å; K144-K147 PolarHBondContact O-N 3.36Å; K144-K147 VanDerWaalsContact O-O 3.08Å
145	Y	80.7	Confident	90.4	Very high	226 Å²	226	63 Å²	63	89%	0.886	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	52.5	177.6	-51	-70.8	0	0	0	113.7	K147	Y145-K147 PolarHBondContact O-N 3.48Å
146	A	76.4	Confident	90.4	Very high	70 Å²	70	63.3 Å²	63.3	58%	0.579	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	-8.8	-176.7	0	0	0	0	0	117.1	R143 K144	R143-A146 PolarHBondContact NE-O 3.07Å; R143-A146 PolarHBondContact NH2-O 3.33Å; K144-A146 VanDerWaalsContact C-N 3.35Å; K144-A146 PolarHBondContact O-N 2.85Å
147	K	82.5	Confident	90.3	Very high	169 Å²	169	63.2 Å²	63.2	74%	0.735	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	134.8	177.5	-64.9	-176.2	178.9	-178.1	0	112.1	R143 K144 Y145	R143-K147 WeakPolarHBondContact CA-O 3.33Å; K144-K147 PolarHBondContact N-O 3.33Å; K144-K147 PolarHBondContact O-N 3.36Å; K144-K147 VanDerWaalsContact O-O 3.08Å; Y145-K147 PolarHBondContact O-N 3.48Å
148	S	85.1	Confident	90.2	Very high	31 Å²	31	63.3 Å²	63.3	22%	0.217	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	121.7	174.4	-58.8	0	0	0	0	110	E111	E111-S148 VanDerWaalsContact OE2-CB 3.29Å; E111-S148 WeakPolarHBondContact OE2-CB 3.29Å; E111-S148 PolarHBondContact OE2-OG 3.07Å
149	K	90.6	Very high	90.2	Very high	149 Å²	149	64 Å²	64	65%	0.648	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.7	174.6	-175.8	-177.5	178	-179	0	109.6	Y141 N142 I151	Y141-K149 CarbonylContact C-O 3.57Å; Y141-K149 WeakPolarHBondContact CA-O 3.16Å; N142-K149 PolarHBondContact N-O 2.89Å; N142-K149 PolarHBondContact O-N 2.81Å; K149-I151 HydrophobicContact CB-CD1 4.47Å; K149-I151 HydrophobicContact CD-CD1 4.13Å; K149-I151 HydrophobicContact CG-CD1 4.15Å; K149-I151 PolarHBondContact O-N 3.34Å
150	L	91.6	Very high	90.3	Very high	84 Å²	84	64.5 Å²	64.5	44%	0.44	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	124.4	171.6	-177.6	67.1	0	0	0	109.5	A139 Y141 H152	A139-L150 HydrophobicContact CB-CD1 4.23Å; Y141-L150 HydrophobicContact CD1-CB 3.92Å; Y141-L150 HydrophobicContact CD1-CD1 4.01Å; Y141-L150 HydrophobicContact CD2-CD1 4.47Å; Y141-L150 HydrophobicContact CE1-CB 3.72Å; Y141-L150 HydrophobicContact CE1-CD1 3.5Å; Y141-L150 HydrophobicContact CE1-CG 4.19Å; Y141-L150 HydrophobicContact CE2-CD1 4.03Å; Y141-L150 HydrophobicContact CG-CD1 4.45Å; L150-H152 WeakPolarHBondContact CD1-O 3.41Å
151	I	93.7	Very high	90.4	Very high	68 Å²	68	65.9 Å²	65.9	35%	0.349	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-47.7	176.6	-55.4	-53.3	0	0	0	110.4	C121 C140 N142 K149	C121-I151 HydrophobicContact CB-CB 4.31Å; C121-I151 HydrophobicContact CB-CG2 4.27Å; C140-I151 PolarHBondContact O-N 3.33Å; N142-I151 HydrophobicContact CB-CD1 4.14Å; N142-I151 HydrophobicContact CB-CG1 3.94Å; N142-I151 VanDerWaalsContact CG-CG1 3.44Å; N142-I151 WeakPolarHBondContact ND2-CG1 2.98Å; K149-I151 HydrophobicContact CB-CD1 4.47Å; K149-I151 HydrophobicContact CD-CD1 4.13Å; K149-I151 HydrophobicContact CG-CD1 4.15Å; K149-I151 PolarHBondContact O-N 3.34Å
152	H	93.9	Very high	90.6	Very high	37 Å²	37	64.8 Å²	64.8	17%	0.171	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.7	176.6	-60	-76.8	0	0	0	108.9	A139 C140 L150	A139-H152 VanDerWaalsContact CA-O 3.26Å; A139-H152 WeakPolarHBondContact CA-O 3.16Å; C140-H152 PolarHBondContact N-O 3.26Å; C140-H152 PolarHBondContact O-N 3.43Å; L150-H152 WeakPolarHBondContact CD1-O 3.41Å
153	S	93.7	Very high	91	Very high	88 Å²	88	64 Å²	64	62%	0.615	32%	0.317	S	S	*	.			trans	-66.9	155.2	171.7	52.9	0	0	0	0	111.2
154	E	93.4	Very high	91.6	Very high	70 Å²	70	61.2 Å²	61.2	33%	0.327	31%	0.306	S	S	.	.			trans	-63.8	134.8	171.6	-168.1	172.5	103.8	0	0	110.3	S37 N39 L95 A139	S37-E154 PolarHBondContact OG-OE1 2.54Å; N39-E154 PolarHBondContact ND2-OE1 2.04Å; L95-E154 HydrophobicContact CD1-CG 3.58Å; L95-E154 WeakPolarHBondContact CD1-OE2 3.23Å; L95-E154 HydrophobicContact CD2-CG 3.92Å; L95-E154 HydrophobicContact CG-CG 4.42Å; A139-E154 HydrophobicContact CB-CB 4.03Å
155	G	95.5	Very high	92.5	Very high	16 Å²	16	56.7 Å²	56.7	17%	0.165	29%	0.287	C	S	.	.			trans	-76.6	-178.7	170.4	0	0	0	0	0	112.6	Q135 L137 G157	Q135-G155 CarbonylContact O-C 3.58Å; Q135-G155 WeakPolarHBondContact O-CA 3.38Å; L137-G155 PolarHBondContact O-N 2.95Å; G155-G157 PolarHBondContact O-N 3.37Å
156	R	95.2	Very high	93.3	Very high	98 Å²	98	45.9 Å²	45.9	37%	0.37	24%	0.244	S	C	.	.			trans	-67.4	-23.4	173.3	65.9	166.1	-165.5	97.8	-16.9	113.5	N93 Q135 Y136 E162	N93-R156 PolarHBondContact ND2-O 2.78Å; Q135-R156 HydrophobicContact CB-CG 4.23Å; Q135-R156 VanDerWaalsContact O-CG 3.27Å; Q135-R156 WeakPolarHBondContact O-CG 3.19Å; Q135-R156 PolarHBondContact O-N 3.23Å; Y136-R156 VanDerWaalsContact CE1-CZ 3.49Å; Y136-R156 PolarHBondContact OH-NH2 2.95Å; Y136-R156 VanDerWaalsContact OH-NH2 3.11Å; R156-E162 IonicContact CZ-OE2 3.43Å; R156-E162 IonicContact NH1-OE2 3.76Å; R156-E162 PolarHBondContact NH1-OE2 3.17Å; R156-E162 IonicContact NH2-OE2 2.72Å; R156-E162 PolarHBondContact NH2-OE2 3.29Å
157	G	95.6	Very high	94.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.			trans	71.9	-179	-171.8	0	0	0	0	0	114	A94 L95 Q135 G155	A94-G157 CarbonylContact O-C 3.36Å; A94-G157 WeakPolarHBondContact O-CA 3.08Å; L95-G157 VanDerWaalsContact CD2-CA 3.47Å; Q135-G157 PolarHBondContact O-N 2.8Å; G155-G157 PolarHBondContact O-N 3.37Å
158	I	96.4	Very high	95	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-100.7	120.9	-178.3	-54.9	175.9	0	0	0	107.2	N93 A94 I96 Y136 E162 V164 I195 L196	N93-I158 CarbonylContact C-O 3.52Å; N93-I158 VanDerWaalsContact CA-O 3.24Å; N93-I158 WeakPolarHBondContact CA-O 2.9Å; N93-I158 WeakPolarHBondContact CB-O 3.15Å; A94-I158 PolarHBondContact N-O 2.8Å; A94-I158 PolarHBondContact O-N 2.8Å; I96-I158 HydrophobicContact CD1-CD1 4.07Å; I96-I158 HydrophobicContact CG1-CD1 4.35Å; Y136-I158 HydrophobicContact CD1-CD1 4.47Å; Y136-I158 HydrophobicContact CD1-CG1 3.55Å; Y136-I158 HydrophobicContact CE1-CG1 4.21Å; Y136-I158 HydrophobicContact CG-CG1 4.14Å; I158-E162 HydrophobicContact CG2-CB 3.71Å; I158-V164 HydrophobicContact CD1-CB 4.31Å; I158-V164 HydrophobicContact CD1-CG2 3.79Å; I158-V164 HydrophobicContact CG1-CG2 3.76Å; I158-V164 HydrophobicContact CG2-CG2 4.23Å; I158-I195 HydrophobicContact CD1-CB 4.42Å; I158-I195 HydrophobicContact CD1-CD1 4.29Å; I158-I195 HydrophobicContact CD1-CG1 4.36Å; I158-I195 HydrophobicContact CG2-CB 4.45Å; I158-L196 HydrophobicContact CD1-CB 4.44Å
159	A	94.7	Very high	95.4	Very high	18 Å²	18	35 Å²	35	15%	0.149	18%	0.182	C	C	.	.			trans	-65.4	157.9	179.9	0	0	0	0	0	111.7	N93 N161 E162	N93-A159 WeakPolarHBondContact OD1-CA 3.03Å; A159-N161 PolarHBondContact O-N 3.2Å; A159-E162 HydrophobicContact CB-CB 4.21Å; A159-E162 HydrophobicContact CB-CG 3.81Å; A159-E162 PolarHBondContact N-OE2 2.84Å; A159-E162 WeakPolarHBondContact O-CB 3.27Å; A159-E162 PolarHBondContact O-N 3.22Å
160	P	93.5	Very high	95.5	Very high	22 Å²	22	30.5 Å²	30.5	14%	0.143	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.7	-174.5	-27.4	34.2	0	0	0	115.2	V88 I90 P91 R193	V88-P160 HydrophobicContact CB-CB 4.49Å; V88-P160 HydrophobicContact CG1-CB 3.68Å; V88-P160 HydrophobicContact CG1-CG 4.07Å; V88-P160 HydrophobicContact CG2-CB 4.12Å; I90-P160 WeakPolarHBondContact O-CB 3.05Å; I90-P160 WeakPolarHBondContact O-CG 3.46Å; P91-P160 VanDerWaalsContact O-CG 3.28Å; P91-P160 WeakPolarHBondContact O-CG 3.32Å; P160-R193 PolarHBondContact O-NH2 3.4Å
161	N	95.5	Very high	95.3	Very high	29 Å²	29	33.4 Å²	33.4	16%	0.155	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	2.2	175.3	76.5	-48.7	0	0	0	114.2	L48 H49 K51 I86 A159	L48-N161 HydrophobicContact CB-CB 3.62Å; L48-N161 HydrophobicContact CD1-CB 3.9Å; L48-N161 HydrophobicContact CG-CB 4.42Å; H49-N161 PolarHBondContact O-ND2 2.87Å; K51-N161 PolarHBondContact N-O 3.11Å; I86-N161 HydrophobicContact CD1-CB 4.2Å; A159-N161 PolarHBondContact O-N 3.2Å
162	E	97.5	Very high	94.9	Very high	14 Å²	14	33.8 Å²	33.8	7%	0.065	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	151.4	178.8	-72.8	179.7	164.9	0	0	111.4	K51 I53 R156 I158 A159 R193	K51-E162 HydrophobicContact CB-CG 4.27Å; K51-E162 HydrophobicContact CD-CG 4.1Å; K51-E162 HydrophobicContact CG-CG 4.43Å; K51-E162 IonicContact NZ-OE1 3.02Å; K51-E162 PolarHBondContact NZ-OE1 2.88Å; K51-E162 CarbonylContact O-C 3.5Å; K51-E162 VanDerWaalsContact O-CA 3.27Å; K51-E162 WeakPolarHBondContact O-CA 3.43Å; I53-E162 HydrophobicContact CD1-CB 4.34Å; I53-E162 HydrophobicContact CD1-CG 3.88Å; I53-E162 WeakPolarHBondContact CD1-OE1 3.25Å; I53-E162 WeakPolarHBondContact CD1-OE2 3.31Å; R156-E162 IonicContact CZ-OE2 3.43Å; R156-E162 IonicContact NH1-OE2 3.76Å; R156-E162 PolarHBondContact NH1-OE2 3.17Å; R156-E162 IonicContact NH2-OE2 2.72Å; R156-E162 PolarHBondContact NH2-OE2 3.29Å; I158-E162 HydrophobicContact CG2-CB 3.71Å; A159-E162 HydrophobicContact CB-CB 4.21Å; A159-E162 HydrophobicContact CB-CG 3.81Å; A159-E162 PolarHBondContact N-OE2 2.84Å; A159-E162 WeakPolarHBondContact O-CB 3.27Å; A159-E162 PolarHBondContact O-N 3.22Å; E162-R193 PolarHBondContact O-NH1 3.38Å; E162-R193 PolarHBondContact O-NH2 2.98Å; E162-R193 VanDerWaalsContact O-NH2 3.16Å
163	F	98.7	Very high	94.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	118.5	167.3	177	-95.2	0	0	0	108.4	L50 K51 I52 I53 L165 P194 I195 A227 L228	L50-F163 HydrophobicContact CD1-CB 3.78Å; K51-F163 PolarHBondContact O-N 3.37Å; I52-F163 CarbonylContact C-O 3.47Å; I52-F163 WeakPolarHBondContact CA-O 3.38Å; I52-F163 HydrophobicContact CG1-CB 4.43Å; I52-F163 HydrophobicContact CG1-CD1 4.3Å; I52-F163 HydrophobicContact CG2-CD1 4.36Å; I53-F163 PolarHBondContact N-O 3.25Å; F163-L165 HydrophobicContact CD1-CB 4.29Å; F163-L165 HydrophobicContact CE1-CB 4.06Å; F163-L165 HydrophobicContact CE1-CD1 4.04Å; F163-P194 WeakPolarHBondContact CD2-O 3.38Å; F163-P194 HydrophobicContact CE2-CB 4.05Å; F163-I195 WeakPolarHBondContact CA-O 3.31Å; F163-A227 HydrophobicContact CE1-CB 4.37Å; F163-A227 HydrophobicContact CZ-CB 3.88Å; F163-A227 WeakPolarHBondContact CZ-O 3.39Å; F163-L228 HydrophobicContact CD1-CD2 4.1Å; F163-L228 HydrophobicContact CD2-CD2 4.04Å; F163-L228 HydrophobicContact CE1-CD2 4.28Å; F163-L228 HydrophobicContact CE2-CD2 4.22Å; F163-L228 HydrophobicContact CG-CD2 3.97Å; F163-L228 HydrophobicContact CZ-CD2 4.32Å
164	V	98.7	Very high	94.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	124.4	177.5	179.6	0	0	0	0	108.7	V55 Y136 I158 I195 L196 G197	V55-V164 HydrophobicContact CG2-CG1 3.84Å; Y136-V164 HydrophobicContact CD1-CG2 3.86Å; Y136-V164 HydrophobicContact CD2-CG1 4.12Å; Y136-V164 HydrophobicContact CD2-CG2 4.19Å; Y136-V164 HydrophobicContact CE1-CG2 3.49Å; Y136-V164 VanDerWaalsContact CE1-CG2 3.49Å; Y136-V164 HydrophobicContact CE2-CB 4.49Å; Y136-V164 HydrophobicContact CE2-CG1 3.75Å; Y136-V164 HydrophobicContact CE2-CG2 3.86Å; Y136-V164 HydrophobicContact CG-CG2 4.18Å; Y136-V164 VanDerWaalsContact CZ-CG2 3.5Å; I158-V164 HydrophobicContact CD1-CB 4.31Å; I158-V164 HydrophobicContact CD1-CG2 3.79Å; I158-V164 HydrophobicContact CG1-CG2 3.76Å; I158-V164 HydrophobicContact CG2-CG2 4.23Å; V164-I195 PolarHBondContact N-O 2.8Å; V164-L196 HydrophobicContact CB-CD1 3.67Å; V164-L196 HydrophobicContact CG1-CD1 3.6Å; V164-L196 WeakPolarHBondContact O-CA 3.4Å; V164-G197 PolarHBondContact O-N 3.39Å
165	L	98.7	Very high	93.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	109.3	-179.8	176.6	69.9	0	0	0	109.7	I52 I53 P54 V55 I73 F163 V167 I199 L224	I52-L165 HydrophobicContact CG2-CB 3.97Å; I52-L165 HydrophobicContact CG2-CD2 4.23Å; I53-L165 PolarHBondContact O-N 2.88Å; P54-L165 CarbonylContact C-O 3.48Å; P54-L165 WeakPolarHBondContact CA-O 3.32Å; V55-L165 PolarHBondContact N-O 3.35Å; I73-L165 HydrophobicContact CD1-CD2 3.82Å; I73-L165 HydrophobicContact CG2-CD2 4.11Å; F163-L165 HydrophobicContact CD1-CB 4.29Å; F163-L165 HydrophobicContact CE1-CB 4.06Å; F163-L165 HydrophobicContact CE1-CD1 4.04Å; L165-V167 HydrophobicContact CD2-CG2 3.99Å; L165-V167 HydrophobicContact CG-CG2 4Å; L165-I199 HydrophobicContact CD1-CB 4.48Å; L165-I199 HydrophobicContact CD1-CD1 3.99Å; L165-I199 HydrophobicContact CD1-CG1 3.86Å; L165-I199 HydrophobicContact CD2-CD1 4.28Å; L165-L224 HydrophobicContact CD1-CD2 3.71Å; L165-L224 HydrophobicContact CD2-CD2 3.56Å; L165-L224 HydrophobicContact CD2-CG 4.4Å; L165-L224 HydrophobicContact CG-CD2 4.17Å
166	L	98.4	Very high	93	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	135.7	168.3	-55.8	178.4	0	0	0	109.3	V55 C127 T130 I132 L196 G197 I198 I199	V55-L166 HydrophobicContact CB-CD2 3.99Å; V55-L166 HydrophobicContact CG1-CD2 4.05Å; V55-L166 WeakPolarHBondContact O-CA 3.46Å; C127-L166 HydrophobicContact CB-CD1 3.74Å; T130-L166 HydrophobicContact CG2-CB 3.97Å; T130-L166 HydrophobicContact CG2-CD1 4.16Å; T130-L166 HydrophobicContact CG2-CD2 4.46Å; T130-L166 HydrophobicContact CG2-CG 4.42Å; I132-L166 HydrophobicContact CG1-CD1 4.15Å; L166-L196 HydrophobicContact CD1-CD1 4.29Å; L166-L196 HydrophobicContact CD2-CD1 4.32Å; L166-L196 HydrophobicContact CG-CD1 3.99Å; L166-G197 PolarHBondContact N-O 3.46Å; L166-I198 HydrophobicContact CB-CB 4.1Å; L166-I198 HydrophobicContact CB-CD1 4.37Å; L166-I198 HydrophobicContact CB-CG1 4.01Å; L166-I198 CarbonylContact O-C 3.56Å; L166-I198 VanDerWaalsContact O-CA 3.28Å; L166-I198 WeakPolarHBondContact O-CA 3.17Å; L166-I199 PolarHBondContact O-N 3.04Å
167	V	98.2	Very high	92.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	117.5	179.9	-174.9	0	0	0	0	109.4	V55 Y56 D57 I69 I73 L165 I199 Y201	V55-V167 PolarHBondContact O-N 3.19Å; Y56-V167 HydrophobicContact CD1-CB 3.75Å; Y56-V167 HydrophobicContact CD1-CG1 3.91Å; Y56-V167 HydrophobicContact CD1-CG2 4.09Å; Y56-V167 HydrophobicContact CE1-CB 4.21Å; Y56-V167 HydrophobicContact CE1-CG1 4.2Å; Y56-V167 HydrophobicContact CE1-CG2 4.11Å; D57-V167 WeakPolarHBondContact CB-O 3.06Å; D57-V167 PolarHBondContact N-O 2.79Å; I69-V167 HydrophobicContact CG2-CG1 3.83Å; I73-V167 HydrophobicContact CD1-CG1 4.21Å; I73-V167 HydrophobicContact CD1-CG2 3.78Å; I73-V167 HydrophobicContact CG1-CG1 4.31Å; I73-V167 HydrophobicContact CG1-CG2 4.21Å; L165-V167 HydrophobicContact CD2-CG2 3.99Å; L165-V167 HydrophobicContact CG-CG2 4Å; V167-I199 WeakPolarHBondContact CA-O 3.37Å; V167-Y201 HydrophobicContact CG1-CD2 4.44Å; V167-Y201 HydrophobicContact CG1-CE2 3.91Å
168	S	96.5	Very high	91.9	Very high	1 Å²	1	35 Å²	35	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	165.6	-178.9	65.1	0	0	0	0	112.6	T130 I199 N200 Y201	T130-S168 WeakPolarHBondContact OG1-CB 3.44Å; S168-I199 PolarHBondContact N-O 2.68Å; S168-N200 WeakPolarHBondContact O-CA 3.28Å; S168-N200 WeakPolarHBondContact OG-CA 3.35Å; S168-N200 VanDerWaalsContact OG-CB 3.29Å; S168-N200 WeakPolarHBondContact OG-CB 3.48Å; S168-N200 PolarHBondContact OG-OD1 3.25Å; S168-Y201 PolarHBondContact O-N 3.02Å
169	N	94.5	Very high	91.5	Very high	39 Å²	39	35.4 Å²	35.4	21%	0.209	20%	0.197	C	C	.	.			trans	-141.9	68.3	174.8	-179.7	-140.6	0	0	0	109.2	V60 Y201 I203	V60-N169 HydrophobicContact CG2-CB 3.71Å; N169-Y201 WeakPolarHBondContact CA-O 3.35Å; N169-Y201 PolarHBondContact ND2-O 3.14Å; N169-I203 PolarHBondContact ND2-O 2.79Å
170	Y	91.6	Very high	91.5	Very high	55 Å²	55	34.6 Å²	34.6	22%	0.216	19%	0.19	C	C	.	.			trans	-107.7	144.2	178.9	-61.8	-52.8	0	0	0	111	D57 D59 N129 F172 C174 N200	D57-Y170 PolarHBondContact OD1-OH 2.59Å; D57-Y170 PolarHBondContact OD2-OH 3.07Å; D57-Y170 VanDerWaalsContact OD2-OH 3.05Å; D59-Y170 WeakPolarHBondContact OD2-CE1 3.31Å; N129-Y170 HydrophobicContact CB-CD2 4.22Å; N129-Y170 HydrophobicContact CB-CE2 4.25Å; Y170-F172 PolarHBondContact O-N 3.12Å; Y170-C174 PolarHBondContact O-SG 2.93Å; Y170-C174 VanDerWaalsContact O-SG 3.39Å; Y170-N200 PolarHBondContact N-OD1 2.77Å; Y170-N200 PolarHBondContact O-ND2 3.44Å
171	N	88.6	Confident	91.5	Very high	146 Å²	146	33.6 Å²	33.6	78%	0.781	18%	0.184	S	C	*	.	S	Bend	trans	-77.9	60.2	167	-170	23.2	0	0	0	110.4
172	F	84.9	Confident	91.4	Very high	75 Å²	75	32.2 Å²	32.2	33%	0.329	18%	0.176	S	C	.	.	S	Bend	trans	-127.1	129.1	-179	174.3	-97.5	0	0	0	109.3	F128 Y170 C174 W181	F128-F172 HydrophobicContact CB-CE1 4.48Å; F128-F172 HydrophobicContact CD1-CE1 4.02Å; Y170-F172 PolarHBondContact O-N 3.12Å; F172-C174 PolarHBondContact O-N 3.45Å; F172-C174 PolarHBondContact O-SG 3.08Å; F172-C174 VanDerWaalsContact O-SG 3.34Å; F172-W181 HydrophobicContact CD1-CZ2 4.06Å; F172-W181 PolarHBondContact O-NE1 2.8Å
173	S	85.2	Confident	91.3	Very high	46 Å²	46	31.7 Å²	31.7	32%	0.322	17%	0.174	S	C	.	.	S	Bend	trans	54.5	34.6	-173.8	-56.3	0	0	0	0	113	Q24	Q24-S173 PolarHBondContact OE1-O 2.94Å
174	C	88.2	Confident	91.1	Very high	30 Å²	30	31.9 Å²	31.9	20%	0.203	18%	0.175	C	C	.	.			trans	-105.1	104.5	179.4	-63.5	0	0	0	0	109.5	Y170 F172 C202	Y170-C174 PolarHBondContact O-SG 2.93Å; Y170-C174 VanDerWaalsContact O-SG 3.39Å; F172-C174 PolarHBondContact O-N 3.45Å; F172-C174 PolarHBondContact O-SG 3.08Å; F172-C174 VanDerWaalsContact O-SG 3.34Å; C174-C202 WeakPolarHBondContact CA-SG 3.16Å; C174-C202 HydrophobicContact CB-CB 3.53Å; C174-C202 WeakPolarHBondContact CB-SG 3.24Å; C174-C202 WeakPolarHBondContact SG-CA 3.2Å; C174-C202 WeakPolarHBondContact SG-CB 3.16Å; C174-C202 CovalentContact SG-SG 2.03Å; C174-C202 PolarHBondContact SG-SG 2.92Å
175	G	82.8	Confident	91	Very high	38 Å²	38	31.9 Å²	31.9	39%	0.392	18%	0.175	S	C	.	.			trans	-75.7	172.2	171.2	0	0	0	0	0	112.9	G177 V178	G175-G177 PolarHBondContact O-N 2.82Å; G175-V178 WeakPolarHBondContact O-CB 2.98Å; G175-V178 PolarHBondContact O-N 2.8Å
176	E	80.2	Confident	90.9	Very high	196 Å²	196	31.9 Å²	31.9	92%	0.916	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	133.4	173	-170	179.6	178.8	0	0	110.7	V178	E176-V178 PolarHBondContact O-N 3.39Å
177	G	81.9	Confident	90.8	Very high	13 Å²	13	36 Å²	36	13%	0.134	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	-8.4	179.3	0	0	0	0	0	115.7	T22 G175 L179	T22-G177 PolarHBondContact N-O 3.23Å; G175-G177 PolarHBondContact O-N 2.82Å; G177-L179 PolarHBondContact O-N 2.88Å
178	V	86.2	Confident	90.6	Very high	13 Å²	13	36.7 Å²	36.7	8%	0.079	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	125.7	-179.5	-179.2	0	0	0	0	110.8	T22 Q24 G175 E176 A180 C202	T22-V178 WeakPolarHBondContact O-CA 3.44Å; Q24-V178 HydrophobicContact CB-CG1 3.82Å; Q24-V178 HydrophobicContact CB-CG2 4.01Å; G175-V178 WeakPolarHBondContact O-CB 2.98Å; G175-V178 PolarHBondContact O-N 2.8Å; E176-V178 PolarHBondContact O-N 3.39Å; V178-A180 WeakPolarHBondContact CG1-O 3.25Å; V178-C202 HydrophobicContact CG1-CB 4.25Å; V178-C202 VanDerWaalsContact O-CB 3.3Å; V178-C202 WeakPolarHBondContact O-CB 3.3Å
179	L	88.2	Confident	90.5	Very high	9 Å²	9	39.3 Å²	39.3	5%	0.047	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-43.9	-179.7	-66.4	179.1	0	0	0	112.7	H21 G177 C202 I203 R207 F215 T219	H21-L179 HydrophobicContact CB-CD1 3.73Å; H21-L179 HydrophobicContact CB-CD2 4.48Å; H21-L179 HydrophobicContact CB-CG 4.01Å; G177-L179 PolarHBondContact O-N 2.88Å; L179-C202 PolarHBondContact O-N 3.31Å; L179-I203 HydrophobicContact CD2-CG2 3.95Å; L179-R207 VanDerWaalsContact CD2-NH2 3.34Å; L179-F215 HydrophobicContact CD1-CE1 3.47Å; L179-F215 VanDerWaalsContact CD1-CE1 3.47Å; L179-F215 HydrophobicContact CD1-CZ 3.43Å; L179-F215 VanDerWaalsContact CD1-CZ 3.43Å; L179-F215 HydrophobicContact CD2-CE1 4.35Å; L179-T219 HydrophobicContact CB-CG2 4.18Å; L179-T219 HydrophobicContact CD1-CG2 4.14Å
180	A	92.8	Very high	90.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	168.6	-178.1	0	0	0	0	0	108.4	V178 N200 Y201 T219 E223	V178-A180 WeakPolarHBondContact CG1-O 3.25Å; A180-N200 CarbonylContact C-O 3.44Å; A180-N200 WeakPolarHBondContact CA-O 3.43Å; A180-N200 WeakPolarHBondContact CB-O 3.36Å; A180-Y201 HydrophobicContact CB-CD1 4.15Å; A180-T219 HydrophobicContact CB-CG2 4.32Å; A180-E223 HydrophobicContact CB-CG 3.68Å
181	W	93.8	Very high	90.4	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	159.4	167.4	55.8	-103.9	0	0	0	109.1	Q24 V26 F128 F172 I198 N200 E223	Q24-W181 WeakPolarHBondContact O-CB 3.37Å; V26-W181 HydrophobicContact CB-CD2 4.01Å; V26-W181 HydrophobicContact CB-CE3 3.86Å; V26-W181 HydrophobicContact CB-CG 4.31Å; V26-W181 HydrophobicContact CB-CZ3 4.43Å; V26-W181 HydrophobicContact CG1-CE3 4.43Å; V26-W181 HydrophobicContact CG2-CB 3.78Å; V26-W181 HydrophobicContact CG2-CD2 3.69Å; V26-W181 HydrophobicContact CG2-CE3 4.08Å; V26-W181 HydrophobicContact CG2-CG 3.55Å; F128-W181 HydrophobicContact CB-CH2 4.31Å; F128-W181 HydrophobicContact CD1-CH2 4.28Å; F128-W181 AromaticContact CD2-CH2 3.91Å; F128-W181 HydrophobicContact CD2-CH2 3.91Å; F128-W181 AromaticContact CD2-CZ3 3.97Å; F128-W181 HydrophobicContact CD2-CZ3 3.97Å; F128-W181 HydrophobicContact CE2-CH2 4.23Å; F128-W181 AromaticContact CE2-CZ3 3.85Å; F128-W181 HydrophobicContact CE2-CZ3 3.85Å; F128-W181 AromaticContact CG-CH2 3.92Å; F128-W181 HydrophobicContact CG-CH2 3.92Å; F128-W181 HydrophobicContact CG-CZ3 4.37Å; F128-W181 HydrophobicContact CZ-CZ3 4.15Å; F172-W181 HydrophobicContact CD1-CZ2 4.06Å; F172-W181 PolarHBondContact O-NE1 2.8Å; W181-I198 HydrophobicContact CH2-CD1 4.3Å; W181-I198 HydrophobicContact CH2-CG2 4.4Å; W181-I198 HydrophobicContact CZ3-CG2 3.74Å; W181-N200 HydrophobicContact CD2-CB 3.78Å; W181-N200 HydrophobicContact CE3-CB 4.19Å; W181-N200 HydrophobicContact CG-CB 4.43Å; W181-N200 HydrophobicContact CH2-CB 3.74Å; W181-N200 HydrophobicContact CZ2-CB 3.29Å; W181-N200 HydrophobicContact CZ3-CB 4.18Å; W181-N200 PolarHBondContact N-O 2.77Å; W181-N200 PolarHBondContact NE1-ND2 2.78Å; W181-N200 VanDerWaalsContact NE1-ND2 3.14Å; W181-N200 PolarHBondContact O-N 2.81Å; W181-E223 VanDerWaalsContact CA-OE2 3.31Å; W181-E223 WeakPolarHBondContact CA-OE2 3.26Å
182	A	94.9	Very high	90.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.2	177.1	0	0	0	0	0	113.1	I198 I199 E223 H226 A227	A182-I198 WeakPolarHBondContact CA-O 3Å; A182-I198 VanDerWaalsContact CB-O 3.27Å; A182-I198 WeakPolarHBondContact CB-O 3.28Å; A182-I199 HydrophobicContact CB-CG1 3.88Å; A182-E223 HydrophobicContact CB-CB 3.77Å; A182-E223 HydrophobicContact CB-CG 4.47Å; A182-E223 WeakPolarHBondContact CB-O 3.33Å; A182-E223 WeakPolarHBondContact CB-OE2 3.35Å; A182-E223 PolarHBondContact N-OE2 3.34Å; A182-E223 VanDerWaalsContact N-OE2 3.07Å; A182-H226 HydrophobicContact CB-CB 4.07Å; A182-A227 HydrophobicContact CB-CB 4.33Å
183	S	94.1	Very high	91.2	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	165.1	179.5	-148.2	0	0	0	0	111	V26 G197 I198	V26-S183 WeakPolarHBondContact O-CB 3.45Å; V26-S183 PolarHBondContact O-OG 3.2Å; S183-G197 CarbonylContact O-C 3.35Å; S183-G197 VanDerWaalsContact O-CA 3.24Å; S183-G197 WeakPolarHBondContact O-CA 3.49Å; S183-I198 PolarHBondContact N-O 3.4Å; S183-I198 VanDerWaalsContact N-O 3.16Å; S183-I198 PolarHBondContact O-N 3.29Å
184	H	94.9	Very high	91.8	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.014	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	141.8	165.3	65.2	-82.5	0	0	0	109.8	L31 P194 T233	L31-H184 VanDerWaalsContact CD2-CD2 3.46Å; L31-H184 WeakPolarHBondContact CD2-CD2 3.38Å; L31-H184 VanDerWaalsContact CD2-O 3.27Å; L31-H184 WeakPolarHBondContact CD2-O 3.25Å; H184-P194 HydrophobicContact CB-CB 3.86Å; H184-P194 HydrophobicContact CB-CG 4.13Å; H184-T233 PolarHBondContact CE1-OG1 2.9Å
185	C	96.3	Very high	92.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-33	-177.9	-58.9	0	0	0	0	111.9	L31 S32 C127 L196	L31-C185 CarbonylContact C-O 3.59Å; L31-C185 WeakPolarHBondContact CA-O 3.41Å; L31-C185 WeakPolarHBondContact CD2-O 3.45Å; S32-C185 PolarHBondContact N-O 3.12Å; C127-C185 HydrophobicContact CB-CB 3.61Å; C127-C185 WeakPolarHBondContact CB-SG 3.33Å; C127-C185 WeakPolarHBondContact SG-CB 3.06Å; C127-C185 CovalentContact SG-SG 2.01Å; C127-C185 PolarHBondContact SG-SG 2.86Å; C185-L196 HydrophobicContact CB-CB 4.2Å; C185-L196 HydrophobicContact CB-CD2 3.62Å; C185-L196 HydrophobicContact CB-CG 3.65Å; C185-L196 WeakPolarHBondContact CB-O 3.39Å; C185-L196 PolarHBondContact N-O 2.79Å
186	S	96.7	Very high	93	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	156.5	179.5	-168.7	0	0	0	0	110.9	S32 I96 I195 L196	S32-S186 WeakPolarHBondContact O-CB 3.4Å; S32-S186 PolarHBondContact O-OG 2.73Å; I96-S186 VanDerWaalsContact CD1-CB 3.49Å; I96-S186 WeakPolarHBondContact CD1-OG 3.11Å; S186-I195 PolarHBondContact O-N 3.48Å; S186-L196 PolarHBondContact N-O 2.81Å; S186-L196 PolarHBondContact O-N 3.22Å
187	R	95.7	Very high	93.8	Very high	85 Å²	85	21.2 Å²	21.2	32%	0.321	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	151.3	-177.5	-66.5	176.5	-65.5	172.4	1.1	109.3	S34 S192 R193	S34-R187 WeakPolarHBondContact CB-O 3.5Å; S34-R187 PolarHBondContact OG-O 3.32Å; R187-S192 WeakPolarHBondContact CD-O 3.18Å; R187-S192 WeakPolarHBondContact CG-O 3.29Å; R187-R193 CarbonylContact C-O 3.57Å; R187-R193 VanDerWaalsContact CA-O 3.25Å; R187-R193 WeakPolarHBondContact CA-O 3.39Å
188	D	95.5	Very high	94.5	Very high	15 Å²	15	20.6 Å²	20.6	8%	0.08	11%	0.108	C	C	.	.			trans	-59.3	135.6	171.8	173.2	-95.2	0	0	0	110.6	Y36 Q190 T191 S192 R193 I195	Y36-D188 WeakPolarHBondContact CE1-OD2 3.25Å; Y36-D188 PolarHBondContact OH-OD1 3.19Å; Y36-D188 PolarHBondContact OH-OD2 3.41Å; D188-Q190 VanDerWaalsContact C-N 3.28Å; D188-Q190 PolarHBondContact O-N 3.48Å; D188-Q190 PolarHBondContact OD1-N 3.44Å; D188-T191 VanDerWaalsContact CB-OG1 3.26Å; D188-T191 WeakPolarHBondContact CB-OG1 3.32Å; D188-T191 WeakPolarHBondContact OD1-CA 3.4Å; D188-T191 WeakPolarHBondContact OD1-CB 3.32Å; D188-T191 WeakPolarHBondContact OD1-CG2 3.47Å; D188-T191 PolarHBondContact OD1-N 2.96Å; D188-T191 PolarHBondContact OD1-OG1 3.12Å; D188-S192 VanDerWaalsContact O-CA 3.29Å; D188-S192 WeakPolarHBondContact O-CA 3.37Å; D188-S192 PolarHBondContact O-N 3.31Å; D188-R193 HydrophobicContact CB-CB 4.46Å; D188-R193 PolarHBondContact N-O 2.6Å; D188-I195 HydrophobicContact CB-CG2 3.79Å
189	P	92.7	Very high	95	Very high	57 Å²	57	20 Å²	20	37%	0.37	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-35	-171.5	-22.9	27.6	0	0	0	114.9	S34 Y36	S34-P189 WeakPolarHBondContact OG-CD 3.23Å; S34-P189 VanDerWaalsContact OG-CG 3.3Å; S34-P189 WeakPolarHBondContact OG-CG 3.33Å; Y36-P189 HydrophobicContact CD1-CG 4.43Å; Y36-P189 HydrophobicContact CD2-CB 4.36Å; Y36-P189 HydrophobicContact CD2-CG 4.16Å; Y36-P189 HydrophobicContact CE1-CG 4.07Å; Y36-P189 HydrophobicContact CE2-CB 3.75Å; Y36-P189 HydrophobicContact CE2-CG 3.8Å; Y36-P189 HydrophobicContact CG-CG 4.44Å; Y36-P189 WeakPolarHBondContact OH-CD 3.29Å
190	Q	91.9	Very high	95.3	Very high	139 Å²	139	19.6 Å²	19.6	65%	0.65	10%	0.102	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-42	-173.6	-175.2	167.9	-25.7	0	0	112.9	Y36 I90 D188	Y36-Q190 HydrophobicContact CE2-CB 4.28Å; Y36-Q190 WeakPolarHBondContact OH-CB 3.28Å; Y36-Q190 PolarHBondContact OH-N 3.43Å; I90-Q190 HydrophobicContact CD1-CB 3.47Å; I90-Q190 VanDerWaalsContact CD1-CB 3.47Å; I90-Q190 HydrophobicContact CD1-CG 3.86Å; D188-Q190 VanDerWaalsContact C-N 3.28Å; D188-Q190 PolarHBondContact O-N 3.48Å; D188-Q190 PolarHBondContact OD1-N 3.44Å
191	T	92.6	Very high	95.4	Very high	44 Å²	44	19.7 Å²	19.7	27%	0.27	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-14.2	-177.7	67.4	0	0	0	0	112.8	K89 D188 R193 F337	K89-T191 HydrophobicContact CD-CG2 4.36Å; D188-T191 VanDerWaalsContact CB-OG1 3.26Å; D188-T191 WeakPolarHBondContact CB-OG1 3.32Å; D188-T191 WeakPolarHBondContact OD1-CA 3.4Å; D188-T191 WeakPolarHBondContact OD1-CB 3.32Å; D188-T191 WeakPolarHBondContact OD1-CG2 3.47Å; D188-T191 PolarHBondContact OD1-N 2.96Å; D188-T191 PolarHBondContact OD1-OG1 3.12Å; T191-R193 PolarHBondContact O-N 3.19Å; T191-R193 PolarHBondContact OG1-N 3.2Å; T191-F337 WeakPolarHBondContact O-CE1 3.42Å
192	S	94.4	Very high	95.4	Very high	52 Å²	52	20.4 Å²	20.4	36%	0.364	11%	0.108	S	C	.	.			trans	59.2	8.6	-174.1	-61.9	0	0	0	0	115.1	R187 D188	R187-S192 WeakPolarHBondContact CD-O 3.18Å; R187-S192 WeakPolarHBondContact CG-O 3.29Å; D188-S192 VanDerWaalsContact O-CA 3.29Å; D188-S192 WeakPolarHBondContact O-CA 3.37Å; D188-S192 PolarHBondContact O-N 3.31Å
193	R	96	Very high	95.2	Very high	7 Å²	7	21 Å²	21	3%	0.026	11%	0.111	C	C	.	.			trans	-62.6	134.2	175	177.1	-179.7	74.2	77.4	-11.7	109.9	P160 E162 R187 D188 T191 I195 F337 Y338	P160-R193 PolarHBondContact O-NH2 3.4Å; E162-R193 PolarHBondContact O-NH1 3.38Å; E162-R193 PolarHBondContact O-NH2 2.98Å; E162-R193 VanDerWaalsContact O-NH2 3.16Å; R187-R193 CarbonylContact C-O 3.57Å; R187-R193 VanDerWaalsContact CA-O 3.25Å; R187-R193 WeakPolarHBondContact CA-O 3.39Å; D188-R193 HydrophobicContact CB-CB 4.46Å; D188-R193 PolarHBondContact N-O 2.6Å; T191-R193 PolarHBondContact O-N 3.19Å; T191-R193 PolarHBondContact OG1-N 3.2Å; R193-I195 PolarHBondContact O-N 2.71Å; R193-F337 HydrophobicContact CB-CB 4.1Å; R193-F337 HydrophobicContact CB-CD1 4.04Å; R193-F337 HydrophobicContact CB-CD2 4.5Å; R193-F337 HydrophobicContact CB-CG 3.96Å; R193-F337 HydrophobicContact CG-CB 3.89Å; R193-F337 HydrophobicContact CG-CG 4.15Å; R193-Y338 HydrophobicContact CG-CE1 4.33Å; R193-Y338 HydrophobicContact CG-CE2 4.37Å
194	P	97.2	Very high	95	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	128	168.4	-29.8	39.3	0	0	0	112.3	F163 H184 L228 I234	F163-P194 WeakPolarHBondContact CD2-O 3.38Å; F163-P194 HydrophobicContact CE2-CB 4.05Å; H184-P194 HydrophobicContact CB-CB 3.86Å; H184-P194 HydrophobicContact CB-CG 4.13Å; P194-L228 WeakPolarHBondContact CG-O 3.09Å; P194-I234 HydrophobicContact CG-CD1 3.72Å
195	I	97.8	Very high	94.7	Very high	2 Å²	2	24 Å²	24	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	-20.9	180	57.2	172.1	0	0	0	113.2	A94 I96 I158 F163 V164 S186 D188 R193	A94-I195 HydrophobicContact CB-CD1 3.6Å; I96-I195 HydrophobicContact CD1-CD1 4.11Å; I158-I195 HydrophobicContact CD1-CB 4.42Å; I158-I195 HydrophobicContact CD1-CD1 4.29Å; I158-I195 HydrophobicContact CD1-CG1 4.36Å; I158-I195 HydrophobicContact CG2-CB 4.45Å; F163-I195 WeakPolarHBondContact CA-O 3.31Å; V164-I195 PolarHBondContact N-O 2.8Å; S186-I195 PolarHBondContact O-N 3.48Å; D188-I195 HydrophobicContact CB-CG2 3.79Å; R193-I195 PolarHBondContact O-N 2.71Å
196	L	98.4	Very high	94.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131.7	174.8	175.7	72.3	0	0	0	107	I96 I132 I158 V164 L166 C185 S186	I96-L196 HydrophobicContact CD1-CB 4.25Å; I96-L196 HydrophobicContact CD1-CD2 4.17Å; I96-L196 HydrophobicContact CG1-CD2 4.14Å; I132-L196 HydrophobicContact CD1-CD2 3.6Å; I132-L196 HydrophobicContact CG1-CD2 3.94Å; I132-L196 HydrophobicContact CG2-CD2 4.27Å; I158-L196 HydrophobicContact CD1-CB 4.44Å; V164-L196 HydrophobicContact CB-CD1 3.67Å; V164-L196 HydrophobicContact CG1-CD1 3.6Å; V164-L196 WeakPolarHBondContact O-CA 3.4Å; L166-L196 HydrophobicContact CD1-CD1 4.29Å; L166-L196 HydrophobicContact CD2-CD1 4.32Å; L166-L196 HydrophobicContact CG-CD1 3.99Å; C185-L196 HydrophobicContact CB-CB 4.2Å; C185-L196 HydrophobicContact CB-CD2 3.62Å; C185-L196 HydrophobicContact CB-CG 3.65Å; C185-L196 WeakPolarHBondContact CB-O 3.39Å; C185-L196 PolarHBondContact N-O 2.79Å; S186-L196 PolarHBondContact N-O 2.81Å; S186-L196 PolarHBondContact O-N 3.22Å
197	G	97.5	Very high	94.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	179.1	173.1	0	0	0	0	0	111.8	V164 L166 S183	V164-G197 PolarHBondContact O-N 3.39Å; L166-G197 PolarHBondContact N-O 3.46Å; S183-G197 CarbonylContact O-C 3.35Å; S183-G197 VanDerWaalsContact O-CA 3.24Å; S183-G197 WeakPolarHBondContact O-CA 3.49Å
198	I	96.9	Very high	94	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144.7	-178.6	-175.2	166.4	0	0	0	110.5	F128 T130 L166 W181 A182 S183	F128-I198 HydrophobicContact CD2-CD1 4.47Å; F128-I198 HydrophobicContact CD2-CG2 3.81Å; F128-I198 HydrophobicContact CE2-CG2 3.81Å; T130-I198 WeakPolarHBondContact OG1-CD1 3.39Å; L166-I198 HydrophobicContact CB-CB 4.1Å; L166-I198 HydrophobicContact CB-CD1 4.37Å; L166-I198 HydrophobicContact CB-CG1 4.01Å; L166-I198 CarbonylContact O-C 3.56Å; L166-I198 VanDerWaalsContact O-CA 3.28Å; L166-I198 WeakPolarHBondContact O-CA 3.17Å; W181-I198 HydrophobicContact CH2-CD1 4.3Å; W181-I198 HydrophobicContact CH2-CG2 4.4Å; W181-I198 HydrophobicContact CZ3-CG2 3.74Å; A182-I198 WeakPolarHBondContact CA-O 3Å; A182-I198 VanDerWaalsContact CB-O 3.27Å; A182-I198 WeakPolarHBondContact CB-O 3.28Å; S183-I198 PolarHBondContact N-O 3.4Å; S183-I198 VanDerWaalsContact N-O 3.16Å; S183-I198 PolarHBondContact O-N 3.29Å
199	I	96.4	Very high	93.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.5	161.2	-68.4	175.6	0	0	0	107.8	I73 L165 L166 V167 S168 A182 Y201 T220 E223 L224	I73-I199 HydrophobicContact CD1-CD1 4.25Å; L165-I199 HydrophobicContact CD1-CB 4.48Å; L165-I199 HydrophobicContact CD1-CD1 3.99Å; L165-I199 HydrophobicContact CD1-CG1 3.86Å; L165-I199 HydrophobicContact CD2-CD1 4.28Å; L166-I199 PolarHBondContact O-N 3.04Å; V167-I199 WeakPolarHBondContact CA-O 3.37Å; S168-I199 PolarHBondContact N-O 2.68Å; A182-I199 HydrophobicContact CB-CG1 3.88Å; I199-Y201 HydrophobicContact CG2-CD2 4.45Å; I199-Y201 HydrophobicContact CG2-CE2 4.07Å; I199-T220 HydrophobicContact CD1-CG2 4.33Å; I199-E223 HydrophobicContact CD1-CB 3.7Å; I199-E223 HydrophobicContact CG1-CB 3.79Å; I199-E223 HydrophobicContact CG2-CB 4.08Å; I199-E223 HydrophobicContact CG2-CG 4.32Å; I199-L224 HydrophobicContact CD1-CB 4.34Å; I199-L224 HydrophobicContact CD1-CD2 3.81Å; I199-L224 HydrophobicContact CD1-CG 3.63Å
200	N	95.6	Very high	93.6	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	120.1	171.9	-178.7	73.6	0	0	0	110	S168 Y170 A180 W181	S168-N200 WeakPolarHBondContact O-CA 3.28Å; S168-N200 WeakPolarHBondContact OG-CA 3.35Å; S168-N200 VanDerWaalsContact OG-CB 3.29Å; S168-N200 WeakPolarHBondContact OG-CB 3.48Å; S168-N200 PolarHBondContact OG-OD1 3.25Å; Y170-N200 PolarHBondContact N-OD1 2.77Å; Y170-N200 PolarHBondContact O-ND2 3.44Å; A180-N200 CarbonylContact C-O 3.44Å; A180-N200 WeakPolarHBondContact CA-O 3.43Å; A180-N200 WeakPolarHBondContact CB-O 3.36Å; W181-N200 HydrophobicContact CD2-CB 3.78Å; W181-N200 HydrophobicContact CE3-CB 4.19Å; W181-N200 HydrophobicContact CG-CB 4.43Å; W181-N200 HydrophobicContact CH2-CB 3.74Å; W181-N200 HydrophobicContact CZ2-CB 3.29Å; W181-N200 HydrophobicContact CZ3-CB 4.18Å; W181-N200 PolarHBondContact N-O 2.77Å; W181-N200 PolarHBondContact NE1-ND2 2.78Å; W181-N200 VanDerWaalsContact NE1-ND2 3.14Å; W181-N200 PolarHBondContact O-N 2.81Å
201	Y	94.9	Very high	93.5	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	127.2	170.1	-62.5	-83.3	0	0	0	109.8	I69 V167 S168 N169 A180 I199 I208 L216 T220	I69-Y201 HydrophobicContact CD1-CD2 4.49Å; I69-Y201 HydrophobicContact CG1-CE2 4.36Å; I69-Y201 HydrophobicContact CG2-CD2 4.42Å; I69-Y201 HydrophobicContact CG2-CE2 3.72Å; V167-Y201 HydrophobicContact CG1-CD2 4.44Å; V167-Y201 HydrophobicContact CG1-CE2 3.91Å; S168-Y201 PolarHBondContact O-N 3.02Å; N169-Y201 WeakPolarHBondContact CA-O 3.35Å; N169-Y201 PolarHBondContact ND2-O 3.14Å; A180-Y201 HydrophobicContact CB-CD1 4.15Å; I199-Y201 HydrophobicContact CG2-CD2 4.45Å; I199-Y201 HydrophobicContact CG2-CE2 4.07Å; Y201-I208 HydrophobicContact CG-CD1 4.25Å; Y201-L216 HydrophobicContact CD1-CD1 4.17Å; Y201-L216 HydrophobicContact CE1-CD1 3.71Å; Y201-T220 WeakPolarHBondContact OH-CG2 3.4Å; Y201-T220 PolarHBondContact OH-OG1 3.35Å
202	C	92.8	Very high	93.4	Very high	18 Å²	18	32.3 Å²	32.3	12%	0.122	17%	0.166	C	C	.	.			trans	-91.1	-11.3	-179.2	-80.1	0	0	0	0	114.1	C174 V178 L179	C174-C202 WeakPolarHBondContact CA-SG 3.16Å; C174-C202 HydrophobicContact CB-CB 3.53Å; C174-C202 WeakPolarHBondContact CB-SG 3.24Å; C174-C202 WeakPolarHBondContact SG-CA 3.2Å; C174-C202 WeakPolarHBondContact SG-CB 3.16Å; C174-C202 CovalentContact SG-SG 2.03Å; C174-C202 PolarHBondContact SG-SG 2.92Å; V178-C202 HydrophobicContact CG1-CB 4.25Å; V178-C202 VanDerWaalsContact O-CB 3.3Å; V178-C202 WeakPolarHBondContact O-CB 3.3Å; L179-C202 PolarHBondContact O-N 3.31Å
203	I	90.6	Very high	93.3	Very high	11 Å²	11	32.5 Å²	32.5	6%	0.056	16%	0.163	C	C	.	.	S	Bend	trans	-92.4	149.5	179.7	51.2	162.3	0	0	0	111.4	N169 L179 R207 I208	N169-I203 PolarHBondContact ND2-O 2.79Å; L179-I203 HydrophobicContact CD2-CG2 3.95Å; I203-R207 HydrophobicContact CB-CB 4.21Å; I203-R207 HydrophobicContact CB-CG 4.16Å; I203-R207 HydrophobicContact CD1-CB 4.47Å; I203-R207 HydrophobicContact CD1-CG 4.07Å; I203-R207 HydrophobicContact CG2-CG 4.43Å; I203-R207 VanDerWaalsContact CG2-NH1 3.33Å; I203-I208 HydrophobicContact CD1-CB 4.41Å; I203-I208 HydrophobicContact CD1-CG1 3.5Å; I203-I208 VanDerWaalsContact CD1-CG1 3.5Å; I203-I208 HydrophobicContact CG1-CD1 4.21Å; I203-I208 HydrophobicContact CG1-CG1 3.55Å
204	S	90.6	Very high	93	Very high	58 Å²	58	37.8 Å²	37.8	41%	0.406	19%	0.192	S	C	.	.			trans	-63	156.5	-179.9	85.2	0	0	0	0	112	E206 R207 I208	S204-E206 WeakPolarHBondContact CB-OE2 3.28Å; S204-E206 PolarHBondContact O-N 2.78Å; S204-E206 VanDerWaalsContact O-N 3.16Å; S204-E206 PolarHBondContact OG-N 2.79Å; S204-E206 PolarHBondContact OG-OE2 3.16Å; S204-R207 PolarHBondContact O-N 3Å; S204-R207 PolarHBondContact OG-N 3.24Å; S204-I208 WeakPolarHBondContact O-CG1 3.35Å; S204-I208 PolarHBondContact O-N 2.9Å
205	A	88.9	Confident	92.7	Very high	13 Å²	13	39.3 Å²	39.3	11%	0.107	20%	0.199	C	C	.	.	H	α-helix	trans	-53.9	-35.9	176.8	0	0	0	0	0	112.4	S63 Y64 A65 I208 A209	S63-A205 WeakPolarHBondContact OG-CB 3.41Å; Y64-A205 HydrophobicContact CD1-CB 4.41Å; Y64-A205 HydrophobicContact CE1-CB 3.74Å; A65-A205 HydrophobicContact CB-CB 3.92Å; A205-I208 PolarHBondContact O-N 3.12Å; A205-A209 WeakPolarHBondContact O-CB 3.41Å; A205-A209 PolarHBondContact O-N 2.84Å
206	E	90.3	Very high	92.5	Very high	86 Å²	86	39.4 Å²	39.4	40%	0.402	20%	0.199	S	C	.	.	H	α-helix	trans	-63.4	-45.1	176.4	-55	59.8	-147.3	0	0	111.5	Y64 S204 A209 R210	Y64-E206 WeakPolarHBondContact OH-CA 3.31Å; Y64-E206 VanDerWaalsContact OH-CB 3.28Å; Y64-E206 WeakPolarHBondContact OH-CB 3.35Å; Y64-E206 WeakPolarHBondContact OH-CG 3.3Å; Y64-E206 PolarHBondContact OH-N 3.47Å; Y64-E206 PolarHBondContact OH-OE1 3.21Å; S204-E206 WeakPolarHBondContact CB-OE2 3.28Å; S204-E206 PolarHBondContact O-N 2.78Å; S204-E206 VanDerWaalsContact O-N 3.16Å; S204-E206 PolarHBondContact OG-N 2.79Å; S204-E206 PolarHBondContact OG-OE2 3.16Å; E206-A209 PolarHBondContact O-N 2.89Å; E206-R210 WeakPolarHBondContact O-CG 3.26Å; E206-R210 PolarHBondContact O-N 3.2Å
207	R	91.4	Very high	92.3	Very high	84 Å²	84	42 Å²	42	32%	0.317	21%	0.211	S	C	.	.	H	α-helix	trans	-69.2	-40.6	178.3	-175.9	170.3	172.6	-163.7	-2	110.5	H21 L179 I203 S204 A209 R210 T211	H21-R207 PolarHBondContact CE1-NH2 3.15Å; H21-R207 PolarHBondContact ND1-NH2 3.42Å; L179-R207 VanDerWaalsContact CD2-NH2 3.34Å; I203-R207 HydrophobicContact CB-CB 4.21Å; I203-R207 HydrophobicContact CB-CG 4.16Å; I203-R207 HydrophobicContact CD1-CB 4.47Å; I203-R207 HydrophobicContact CD1-CG 4.07Å; I203-R207 HydrophobicContact CG2-CG 4.43Å; I203-R207 VanDerWaalsContact CG2-NH1 3.33Å; S204-R207 PolarHBondContact O-N 3Å; S204-R207 PolarHBondContact OG-N 3.24Å; R207-A209 PolarHBondContact O-N 3.4Å; R207-R210 PolarHBondContact O-N 3.06Å; R207-T211 WeakPolarHBondContact O-CB 3.25Å; R207-T211 PolarHBondContact O-N 2.88Å; R207-T211 PolarHBondContact O-OG1 3.07Å
208	I	91	Very high	92.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.3	-51.9	174.5	-65.2	172.3	0	0	0	109.7	A65 K68 I69 Y201 I203 S204 A205 R210 T211 L216	A65-I208 HydrophobicContact CB-CB 4.08Å; A65-I208 HydrophobicContact CB-CG2 3.96Å; K68-I208 HydrophobicContact CD-CG2 4.43Å; K68-I208 WeakPolarHBondContact CD-O 3.49Å; K68-I208 WeakPolarHBondContact CE-O 3.22Å; I69-I208 HydrophobicContact CD1-CD1 3.99Å; I69-I208 HydrophobicContact CD1-CG2 4.49Å; I69-I208 HydrophobicContact CG1-CD1 4.34Å; I69-I208 HydrophobicContact CG1-CG2 3.91Å; Y201-I208 HydrophobicContact CG-CD1 4.25Å; I203-I208 HydrophobicContact CD1-CB 4.41Å; I203-I208 HydrophobicContact CD1-CG1 3.5Å; I203-I208 VanDerWaalsContact CD1-CG1 3.5Å; I203-I208 HydrophobicContact CG1-CD1 4.21Å; I203-I208 HydrophobicContact CG1-CG1 3.55Å; S204-I208 WeakPolarHBondContact O-CG1 3.35Å; S204-I208 PolarHBondContact O-N 2.9Å; A205-I208 PolarHBondContact O-N 3.12Å; I208-R210 VanDerWaalsContact C-N 3.26Å; I208-R210 PolarHBondContact O-N 2.79Å; I208-T211 WeakPolarHBondContact O-CB 3.48Å; I208-T211 PolarHBondContact O-N 2.95Å; I208-L216 HydrophobicContact CG2-CD1 4.47Å; I208-L216 HydrophobicContact CG2-CD2 3.87Å
209	A	89.2	Confident	92.1	Very high	38 Å²	38	42.4 Å²	42.4	31%	0.314	21%	0.214	S	C	.	.	H	α-helix	trans	-56	-38.9	-178.2	0	0	0	0	0	113.2	Y64 K68 A205 E206 R207	Y64-A209 HydrophobicContact CD2-CB 4.28Å; Y64-A209 HydrophobicContact CE2-CB 3.68Å; K68-A209 PolarHBondContact NZ-O 3.28Å; K68-A209 VanDerWaalsContact NZ-O 3.12Å; A205-A209 WeakPolarHBondContact O-CB 3.41Å; A205-A209 PolarHBondContact O-N 2.84Å; E206-A209 PolarHBondContact O-N 2.89Å; R207-A209 PolarHBondContact O-N 3.4Å
210	R	90.5	Very high	92.1	Very high	191 Å²	191	42.4 Å²	42.4	72%	0.721	21%	0.214	S	C	*	.	H	α-helix	trans	-82	-16.5	178.4	-67.9	-172	-64.9	-106.2	-0.7	114.9	E206 R207 I208	E206-R210 WeakPolarHBondContact O-CG 3.26Å; E206-R210 PolarHBondContact O-N 3.2Å; R207-R210 PolarHBondContact O-N 3.06Å; I208-R210 VanDerWaalsContact C-N 3.26Å; I208-R210 PolarHBondContact O-N 2.79Å
211	T	90.5	Very high	92.2	Very high	19 Å²	19	43.8 Å²	43.8	12%	0.117	22%	0.22	C	C	.	.	S	Bend	trans	-66	142	-177.3	-66.3	0	0	0	0	110.4	K68 R207 I208 F215 L216	K68-T211 WeakPolarHBondContact CE-O 3.13Å; K68-T211 PolarHBondContact NZ-O 2.77Å; R207-T211 WeakPolarHBondContact O-CB 3.25Å; R207-T211 PolarHBondContact O-N 2.88Å; R207-T211 PolarHBondContact O-OG1 3.07Å; I208-T211 WeakPolarHBondContact O-CB 3.48Å; I208-T211 PolarHBondContact O-N 2.95Å; T211-F215 HydrophobicContact CG2-CB 4.18Å; T211-F215 HydrophobicContact CG2-CD1 3.27Å; T211-F215 HydrophobicContact CG2-CE1 3.95Å; T211-F215 HydrophobicContact CG2-CG 4.1Å; T211-L216 HydrophobicContact CG2-CB 4.15Å
212	N	90.1	Very high	92.3	Very high	96 Å²	96	44 Å²	44	51%	0.513	22%	0.221	S	C	.	.			trans	-59.6	141.5	175.2	173.4	-84.9	0	0	0	111.3	D214 F215 L216	N212-D214 PolarHBondContact O-N 3.22Å; N212-D214 WeakPolarHBondContact OD1-CB 3.03Å; N212-D214 PolarHBondContact OD1-N 3.16Å; N212-F215 HydrophobicContact CB-CB 4.13Å; N212-F215 WeakPolarHBondContact O-CB 3.48Å; N212-F215 PolarHBondContact O-N 3.43Å; N212-F215 PolarHBondContact OD1-N 3.49Å; N212-L216 PolarHBondContact O-N 3.02Å
213	D	92.4	Very high	92.5	Very high	56 Å²	56	43.2 Å²	43.2	30%	0.299	22%	0.216	S	C	.	.	H	α-helix	trans	-62.3	-42.6	-174.6	-77	3.7	0	0	0	112.4	K68 K71 F215 L216 E217	K68-D213 VanDerWaalsContact CE-OD1 3.25Å; K68-D213 WeakPolarHBondContact CE-OD1 3.3Å; K68-D213 IonicContact NZ-OD1 3.6Å; K68-D213 PolarHBondContact NZ-OD1 3.18Å; K71-D213 IonicContact NZ-OD2 3.91Å; K71-D213 PolarHBondContact NZ-OD2 3.02Å; D213-F215 VanDerWaalsContact C-N 3.27Å; D213-F215 PolarHBondContact O-N 3.16Å; D213-L216 PolarHBondContact O-N 3.01Å; D213-E217 WeakPolarHBondContact O-CB 3.01Å; D213-E217 PolarHBondContact O-N 3.43Å
214	D	90.5	Very high	92.8	Very high	118 Å²	118	42.7 Å²	42.7	63%	0.631	21%	0.213	S	C	*	.	H	α-helix	trans	-66.2	-34.5	179	-58	-22.2	0	0	0	111.3	N212 G218	N212-D214 PolarHBondContact O-N 3.22Å; N212-D214 WeakPolarHBondContact OD1-CB 3.03Å; N212-D214 PolarHBondContact OD1-N 3.16Å; D214-G218 PolarHBondContact O-N 2.02Å
215	F	89.8	Confident	93.2	Very high	32 Å²	32	39.9 Å²	39.9	14%	0.14	19%	0.194	C	C	.	.	H	α-helix	trans	-66.7	-45.3	174.9	-177.6	-86.6	0	0	0	111.6	H21 L179 T211 N212 D213 T219 K318	H21-F215 HydrophobicContact CB-CZ 4.38Å; H21-F215 AromaticContact CD2-CZ 3.61Å; L179-F215 HydrophobicContact CD1-CE1 3.47Å; L179-F215 VanDerWaalsContact CD1-CE1 3.47Å; L179-F215 HydrophobicContact CD1-CZ 3.43Å; L179-F215 VanDerWaalsContact CD1-CZ 3.43Å; L179-F215 HydrophobicContact CD2-CE1 4.35Å; T211-F215 HydrophobicContact CG2-CB 4.18Å; T211-F215 HydrophobicContact CG2-CD1 3.27Å; T211-F215 HydrophobicContact CG2-CE1 3.95Å; T211-F215 HydrophobicContact CG2-CG 4.1Å; N212-F215 HydrophobicContact CB-CB 4.13Å; N212-F215 WeakPolarHBondContact O-CB 3.48Å; N212-F215 PolarHBondContact O-N 3.43Å; N212-F215 PolarHBondContact OD1-N 3.49Å; D213-F215 VanDerWaalsContact C-N 3.27Å; D213-F215 PolarHBondContact O-N 3.16Å; F215-T219 WeakPolarHBondContact O-CB 3.35Å; F215-T219 PolarHBondContact O-N 3.48Å; F215-T219 PolarHBondContact O-OG1 3.17Å; F215-K318 HydrophobicContact CD2-CD 3.27Å; F215-K318 HydrophobicContact CE2-CB 4.45Å; F215-K318 HydrophobicContact CE2-CD 3.35Å; F215-K318 HydrophobicContact CG-CD 4.44Å
216	L	93.5	Very high	93.6	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-68.6	-41.3	178.7	-173.2	66.1	0	0	0	111.2	K68 A72 Y201 I208 T211 N212 D213 T219 T220	K68-L216 HydrophobicContact CD-CD2 4.21Å; K68-L216 HydrophobicContact CG-CD2 3.79Å; A72-L216 HydrophobicContact CB-CB 4.45Å; A72-L216 HydrophobicContact CB-CD2 3.92Å; A72-L216 HydrophobicContact CB-CG 3.79Å; Y201-L216 HydrophobicContact CD1-CD1 4.17Å; Y201-L216 HydrophobicContact CE1-CD1 3.71Å; I208-L216 HydrophobicContact CG2-CD1 4.47Å; I208-L216 HydrophobicContact CG2-CD2 3.87Å; T211-L216 HydrophobicContact CG2-CB 4.15Å; N212-L216 PolarHBondContact O-N 3.02Å; D213-L216 PolarHBondContact O-N 3.01Å; L216-T219 PolarHBondContact O-N 2.98Å; L216-T220 VanDerWaalsContact O-CB 3.31Å; L216-T220 WeakPolarHBondContact O-CB 3.39Å; L216-T220 PolarHBondContact O-N 3.15Å; L216-T220 PolarHBondContact O-OG1 3.47Å
217	E	95.4	Very high	93.9	Very high	55 Å²	55	35.2 Å²	35.2	26%	0.257	17%	0.17	S	C	.	.	H	α-helix	trans	-59.6	-51.4	173.8	-174.3	-169.9	130.9	0	0	110.7	A75 S76 D213 T219 T220 K221	A75-E217 HydrophobicContact CB-CG 3.98Å; A75-E217 WeakPolarHBondContact CB-OE2 2.89Å; S76-E217 PolarHBondContact OG-O 3.13Å; S76-E217 VanDerWaalsContact OG-O 3.06Å; D213-E217 WeakPolarHBondContact O-CB 3.01Å; D213-E217 PolarHBondContact O-N 3.43Å; E217-T219 VanDerWaalsContact C-N 3.33Å; E217-T219 PolarHBondContact O-N 3.21Å; E217-T220 CarbonylContact O-C 3.52Å; E217-T220 WeakPolarHBondContact O-CB 3.31Å; E217-T220 PolarHBondContact O-N 3.27Å; E217-T220 VanDerWaalsContact O-N 3.09Å; E217-K221 WeakPolarHBondContact O-CB 3.44Å; E217-K221 PolarHBondContact O-N 3.45Å; E217-K221 WeakPolarHBondContact OE1-CE 3.37Å; E217-K221 IonicContact OE1-NZ 3.82Å; E217-K221 PolarHBondContact OE1-NZ 2.85Å
218	G	94.8	Very high	94.2	Very high	3 Å²	3	31.2 Å²	31.2	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-65.6	-35.3	-178	0	0	0	0	0	113.5	D214 K221 H222	D214-G218 PolarHBondContact O-N 2.02Å; G218-K221 PolarHBondContact O-N 2.81Å; G218-H222 WeakPolarHBondContact O-CB 3.2Å; G218-H222 PolarHBondContact O-N 3.05Å
219	T	94.4	Very high	94.5	Very high	6 Å²	6	31.2 Å²	31.2	4%	0.037	16%	0.155	C	C	.	.	H	α-helix	trans	-61.8	-47.9	169.7	-53.4	0	0	0	0	110.1	L179 A180 F215 L216 E217 K221 H222 E223 Y322	L179-T219 HydrophobicContact CB-CG2 4.18Å; L179-T219 HydrophobicContact CD1-CG2 4.14Å; A180-T219 HydrophobicContact CB-CG2 4.32Å; F215-T219 WeakPolarHBondContact O-CB 3.35Å; F215-T219 PolarHBondContact O-N 3.48Å; F215-T219 PolarHBondContact O-OG1 3.17Å; L216-T219 PolarHBondContact O-N 2.98Å; E217-T219 VanDerWaalsContact C-N 3.33Å; E217-T219 PolarHBondContact O-N 3.21Å; T219-K221 VanDerWaalsContact C-N 3.28Å; T219-K221 PolarHBondContact O-N 2.8Å; T219-H222 WeakPolarHBondContact O-CB 3.35Å; T219-H222 PolarHBondContact O-N 3.31Å; T219-H222 VanDerWaalsContact O-N 3.17Å; T219-E223 HydrophobicContact CG2-CG 4.49Å; T219-E223 WeakPolarHBondContact O-CG 3.3Å; T219-E223 PolarHBondContact O-N 3.36Å; T219-Y322 PolarHBondContact OG1-OH 3.19Å
220	T	97	Very high	94.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.8	-36.5	178.6	-55.9	0	0	0	0	112.4	I73 S76 I199 Y201 L216 E217 E223 L224	I73-T220 HydrophobicContact CD1-CG2 3.46Å; I73-T220 VanDerWaalsContact CD1-CG2 3.46Å; I73-T220 HydrophobicContact CG1-CG2 4.04Å; S76-T220 WeakPolarHBondContact OG-CB 3.4Å; I199-T220 HydrophobicContact CD1-CG2 4.33Å; Y201-T220 WeakPolarHBondContact OH-CG2 3.4Å; Y201-T220 PolarHBondContact OH-OG1 3.35Å; L216-T220 VanDerWaalsContact O-CB 3.31Å; L216-T220 WeakPolarHBondContact O-CB 3.39Å; L216-T220 PolarHBondContact O-N 3.15Å; L216-T220 PolarHBondContact O-OG1 3.47Å; E217-T220 CarbonylContact O-C 3.52Å; E217-T220 WeakPolarHBondContact O-CB 3.31Å; E217-T220 PolarHBondContact O-N 3.27Å; E217-T220 VanDerWaalsContact O-N 3.09Å; T220-E223 PolarHBondContact O-N 3.03Å; T220-L224 WeakPolarHBondContact O-CB 3.38Å; T220-L224 PolarHBondContact O-N 2.98Å
221	K	97.6	Very high	95.1	Very high	29 Å²	29	20.4 Å²	20.4	13%	0.126	11%	0.106	C	C	.	.	H	α-helix	trans	-67.3	-40.5	176.3	-166.3	177.2	-59.4	175.9	0	111.8	S76 Y79 W80 E217 G218 T219 C225 L313 V324	S76-K221 PolarHBondContact OG-N 3.26Å; Y79-K221 HydrophobicContact CD1-CD 3.91Å; Y79-K221 HydrophobicContact CD1-CG 4.21Å; Y79-K221 HydrophobicContact CE1-CD 4.38Å; Y79-K221 HydrophobicContact CG-CD 4.03Å; W80-K221 HydrophobicContact CZ2-CG 4.28Å; W80-K221 PolarHBondContact NE1-O 3.32Å; E217-K221 WeakPolarHBondContact O-CB 3.44Å; E217-K221 PolarHBondContact O-N 3.45Å; E217-K221 WeakPolarHBondContact OE1-CE 3.37Å; E217-K221 IonicContact OE1-NZ 3.82Å; E217-K221 PolarHBondContact OE1-NZ 2.85Å; G218-K221 PolarHBondContact O-N 2.81Å; T219-K221 VanDerWaalsContact C-N 3.28Å; T219-K221 PolarHBondContact O-N 2.8Å; K221-C225 PolarHBondContact O-N 3Å; K221-C225 VanDerWaalsContact O-N 3.14Å; K221-L313 HydrophobicContact CB-CD1 4.19Å; K221-L313 HydrophobicContact CB-CD2 4.48Å; K221-L313 HydrophobicContact CD-CD1 4.44Å; K221-L313 HydrophobicContact CD-CD2 4.47Å; K221-L313 HydrophobicContact CG-CD1 4.29Å; K221-L313 HydrophobicContact CG-CD2 3.95Å; K221-V324 HydrophobicContact CD-CG2 3.95Å
222	H	96.9	Very high	95.2	Very high	6 Å²	6	20.3 Å²	20.3	3%	0.028	11%	0.106	C	C	.	.	H	α-helix	trans	-60.2	-51.7	171.8	175	110	0	0	0	110.7	C23 G218 T219 L224 C225 H226 H303 L313 T315	C23-H222 WeakPolarHBondContact CB-NE2 2.93Å; C23-H222 PolarHBondContact SG-NE2 3.03Å; G218-H222 WeakPolarHBondContact O-CB 3.2Å; G218-H222 PolarHBondContact O-N 3.05Å; T219-H222 WeakPolarHBondContact O-CB 3.35Å; T219-H222 PolarHBondContact O-N 3.31Å; T219-H222 VanDerWaalsContact O-N 3.17Å; H222-L224 VanDerWaalsContact C-N 3.31Å; H222-L224 PolarHBondContact O-N 3.39Å; H222-C225 WeakPolarHBondContact O-CA 3.47Å; H222-C225 WeakPolarHBondContact O-CB 3.16Å; H222-C225 PolarHBondContact O-N 2.88Å; H222-H226 AromaticContact CD2-CD2 3.67Å; H222-H226 AromaticContact CD2-NE2 3.82Å; H222-H226 AromaticContact CE1-NE2 3.97Å; H222-H226 AromaticContact NE2-CD2 3.51Å; H222-H226 AromaticContact NE2-NE2 3.14Å; H222-H226 PolarHBondContact NE2-NE2 3.1Å; H222-H226 VanDerWaalsContact NE2-NE2 3.14Å; H222-H226 PolarHBondContact O-N 2.81Å; H222-H303 AromaticContact CE1-CD2 3.65Å; H222-H303 AromaticContact CE1-NE2 3.8Å; H222-H303 AromaticContact NE2-CD2 3.81Å; H222-H303 AromaticContact NE2-NE2 3.53Å; H222-L313 HydrophobicContact CB-CD1 4.04Å; H222-L313 HydrophobicContact CB-CG 4.17Å; H222-L313 PolarHBondContact ND1-O 2.79Å; H222-T315 PolarHBondContact CE1-O 3.38Å
223	E	97.1	Very high	95.3	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.009	9%	0.088	C	C	.	.	H	α-helix	trans	-61.2	-39.2	179	-66.2	-40.3	145.7	0	0	112.5	C23 A180 W181 A182 I199 T219 T220 C225 H226 A227	C23-E223 PolarHBondContact SG-OE1 3.39Å; C23-E223 VanDerWaalsContact SG-OE1 3.33Å; A180-E223 HydrophobicContact CB-CG 3.68Å; W181-E223 VanDerWaalsContact CA-OE2 3.31Å; W181-E223 WeakPolarHBondContact CA-OE2 3.26Å; A182-E223 HydrophobicContact CB-CB 3.77Å; A182-E223 HydrophobicContact CB-CG 4.47Å; A182-E223 WeakPolarHBondContact CB-O 3.33Å; A182-E223 WeakPolarHBondContact CB-OE2 3.35Å; A182-E223 PolarHBondContact N-OE2 3.34Å; A182-E223 VanDerWaalsContact N-OE2 3.07Å; I199-E223 HydrophobicContact CD1-CB 3.7Å; I199-E223 HydrophobicContact CG1-CB 3.79Å; I199-E223 HydrophobicContact CG2-CB 4.08Å; I199-E223 HydrophobicContact CG2-CG 4.32Å; T219-E223 HydrophobicContact CG2-CG 4.49Å; T219-E223 WeakPolarHBondContact O-CG 3.3Å; T219-E223 PolarHBondContact O-N 3.36Å; T220-E223 PolarHBondContact O-N 3.03Å; E223-C225 VanDerWaalsContact C-N 3.28Å; E223-C225 PolarHBondContact O-N 3.46Å; E223-H226 WeakPolarHBondContact O-CB 3.48Å; E223-H226 PolarHBondContact O-N 3.21Å; E223-H226 IonicContact OE2-CD2 2.98Å; E223-A227 PolarHBondContact O-N 3.21Å
224	L	97.8	Very high	95.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.8	-36.8	172.9	-88.3	-179.5	0	0	0	112.5	I52 L165 I199 T220 H222 H226 A227 L228	I52-L224 HydrophobicContact CD1-CD1 4.38Å; L165-L224 HydrophobicContact CD1-CD2 3.71Å; L165-L224 HydrophobicContact CD2-CD2 3.56Å; L165-L224 HydrophobicContact CD2-CG 4.4Å; L165-L224 HydrophobicContact CG-CD2 4.17Å; I199-L224 HydrophobicContact CD1-CB 4.34Å; I199-L224 HydrophobicContact CD1-CD2 3.81Å; I199-L224 HydrophobicContact CD1-CG 3.63Å; T220-L224 WeakPolarHBondContact O-CB 3.38Å; T220-L224 PolarHBondContact O-N 2.98Å; H222-L224 VanDerWaalsContact C-N 3.31Å; H222-L224 PolarHBondContact O-N 3.39Å; L224-H226 VanDerWaalsContact C-N 3.33Å; L224-H226 PolarHBondContact O-N 3.46Å; L224-A227 PolarHBondContact O-N 3.14Å; L224-L228 WeakPolarHBondContact O-CB 3.49Å; L224-L228 WeakPolarHBondContact O-CD1 3.37Å; L224-L228 WeakPolarHBondContact O-CG 3.09Å; L224-L228 PolarHBondContact O-N 3.36Å
225	C	98.1	Very high	95.6	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-60.3	-43.1	176.1	-167.3	0	0	0	0	111.9	W80 K221 H222 E223 L228 G229 F230 M314	W80-C225 HydrophobicContact CH2-CB 3.97Å; W80-C225 HydrophobicContact CZ2-CB 3.58Å; K221-C225 PolarHBondContact O-N 3Å; K221-C225 VanDerWaalsContact O-N 3.14Å; H222-C225 WeakPolarHBondContact O-CA 3.47Å; H222-C225 WeakPolarHBondContact O-CB 3.16Å; H222-C225 PolarHBondContact O-N 2.88Å; E223-C225 VanDerWaalsContact C-N 3.28Å; E223-C225 PolarHBondContact O-N 3.46Å; C225-L228 PolarHBondContact O-N 3.43Å; C225-G229 PolarHBondContact O-N 3.49Å; C225-G229 VanDerWaalsContact O-N 3.16Å; C225-F230 PolarHBondContact O-N 2.87Å; C225-F230 VanDerWaalsContact O-N 3.08Å; C225-M314 HydrophobicContact CB-CE 4.02Å; C225-M314 HydrophobicContact CB-CG 4.32Å; C225-M314 HydrophobicContact CB-SD 3.35Å; C225-M314 WeakPolarHBondContact CB-SD 2.87Å; C225-M314 PolarHBondContact SG-SD 3.45Å
226	H	97.1	Very high	95.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61.8	-48.8	173.3	-76.7	-49.8	0	0	0	111.6	A182 H222 E223 L224 L228 G229 F230 V231 H303 M314	A182-H226 HydrophobicContact CB-CB 4.07Å; H222-H226 AromaticContact CD2-CD2 3.67Å; H222-H226 AromaticContact CD2-NE2 3.82Å; H222-H226 AromaticContact CE1-NE2 3.97Å; H222-H226 AromaticContact NE2-CD2 3.51Å; H222-H226 AromaticContact NE2-NE2 3.14Å; H222-H226 PolarHBondContact NE2-NE2 3.1Å; H222-H226 VanDerWaalsContact NE2-NE2 3.14Å; H222-H226 PolarHBondContact O-N 2.81Å; E223-H226 WeakPolarHBondContact O-CB 3.48Å; E223-H226 PolarHBondContact O-N 3.21Å; E223-H226 IonicContact OE2-CD2 2.98Å; L224-H226 VanDerWaalsContact C-N 3.33Å; L224-H226 PolarHBondContact O-N 3.46Å; H226-L228 VanDerWaalsContact C-N 3.26Å; H226-L228 PolarHBondContact O-N 3.41Å; H226-G229 WeakPolarHBondContact O-CA 3.46Å; H226-G229 PolarHBondContact O-N 3.4Å; H226-F230 PolarHBondContact ND1-O 3.08Å; H226-V231 HydrophobicContact CB-CG1 4.03Å; H226-H303 AromaticContact CE1-CD2 3.77Å; H226-H303 AromaticContact CE1-NE2 3.69Å; H226-H303 AromaticContact NE2-CD2 3.56Å; H226-H303 AromaticContact NE2-NE2 3.18Å; H226-H303 PolarHBondContact NE2-NE2 3.02Å; H226-H303 VanDerWaalsContact NE2-NE2 3.18Å; H226-M314 WeakPolarHBondContact CE1-CE 3.26Å; H226-M314 WeakPolarHBondContact NE2-CE 3.39Å
227	A	97.2	Very high	95.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.4	-33.7	179.7	0	0	0	0	0	112.9	F163 A182 E223 L224 G229	F163-A227 HydrophobicContact CE1-CB 4.37Å; F163-A227 HydrophobicContact CZ-CB 3.88Å; F163-A227 WeakPolarHBondContact CZ-O 3.39Å; A182-A227 HydrophobicContact CB-CB 4.33Å; E223-A227 PolarHBondContact O-N 3.21Å; L224-A227 PolarHBondContact O-N 3.14Å; A227-G229 VanDerWaalsContact C-N 3.31Å
228	L	98.1	Very high	95.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-78.3	-13.7	176.6	-69	166.6	0	0	0	113.4	L50 W80 L84 F163 P194 L224 C225 H226 F332	L50-L228 HydrophobicContact CD2-CD1 4.37Å; L50-L228 HydrophobicContact CD2-CD2 3.76Å; W80-L228 HydrophobicContact CB-CD1 3.96Å; W80-L228 HydrophobicContact CD2-CD1 3.82Å; W80-L228 HydrophobicContact CE3-CD1 4.16Å; W80-L228 HydrophobicContact CG-CD1 3.73Å; L84-L228 HydrophobicContact CD1-CD1 3.97Å; F163-L228 HydrophobicContact CD1-CD2 4.1Å; F163-L228 HydrophobicContact CD2-CD2 4.04Å; F163-L228 HydrophobicContact CE1-CD2 4.28Å; F163-L228 HydrophobicContact CE2-CD2 4.22Å; F163-L228 HydrophobicContact CG-CD2 3.97Å; F163-L228 HydrophobicContact CZ-CD2 4.32Å; P194-L228 WeakPolarHBondContact CG-O 3.09Å; L224-L228 WeakPolarHBondContact O-CB 3.49Å; L224-L228 WeakPolarHBondContact O-CD1 3.37Å; L224-L228 WeakPolarHBondContact O-CG 3.09Å; L224-L228 PolarHBondContact O-N 3.36Å; C225-L228 PolarHBondContact O-N 3.43Å; H226-L228 VanDerWaalsContact C-N 3.26Å; H226-L228 PolarHBondContact O-N 3.41Å; L228-F332 HydrophobicContact CB-CE1 3.74Å; L228-F332 HydrophobicContact CB-CZ 3.97Å
229	G	96.5	Very high	95.8	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.01	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	130.9	10	162.6	0	0	0	0	0	116.7	C225 H226 A227 V231 I234 Y331	C225-G229 PolarHBondContact O-N 3.49Å; C225-G229 VanDerWaalsContact O-N 3.16Å; H226-G229 WeakPolarHBondContact O-CA 3.46Å; H226-G229 PolarHBondContact O-N 3.4Å; A227-G229 VanDerWaalsContact C-N 3.31Å; G229-V231 PolarHBondContact O-N 3.49Å; G229-I234 VanDerWaalsContact CA-CD1 3.46Å; G229-Y331 PolarHBondContact O-OH 3.31Å
230	F	97.1	Very high	95.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.			trans	-76.3	75.8	167.6	-169.3	-93.7	0	0	0	110.1	C225 H226 L276 L299 G302 L304 M314 M328 Y331	C225-F230 PolarHBondContact O-N 2.87Å; C225-F230 VanDerWaalsContact O-N 3.08Å; H226-F230 PolarHBondContact ND1-O 3.08Å; F230-L276 HydrophobicContact CE2-CD2 4.3Å; F230-L299 HydrophobicContact CZ-CD2 4.42Å; F230-G302 VanDerWaalsContact CE1-O 3.31Å; F230-G302 WeakPolarHBondContact CE1-O 3.36Å; F230-L304 HydrophobicContact CE2-CD2 4.21Å; F230-L304 HydrophobicContact CZ-CD2 3.63Å; F230-L304 HydrophobicContact CZ-CG 3.94Å; F230-M314 HydrophobicContact CB-CE 4.44Å; F230-M314 HydrophobicContact CD1-CB 4.49Å; F230-M314 HydrophobicContact CD1-CE 3.53Å; F230-M314 HydrophobicContact CD1-CG 4.38Å; F230-M314 HydrophobicContact CE1-CB 4.27Å; F230-M314 HydrophobicContact CE1-CE 4.19Å; F230-M314 HydrophobicContact CG-CE 4.28Å; F230-M328 HydrophobicContact CB-CE 4Å; F230-M328 HydrophobicContact CD2-CE 3.21Å; F230-M328 HydrophobicContact CD2-SD 3.93Å; F230-M328 HydrophobicContact CE2-CE 3.75Å; F230-M328 HydrophobicContact CE2-SD 3.89Å; F230-M328 HydrophobicContact CG-CE 3.67Å; F230-M328 HydrophobicContact CG-SD 4.38Å; F230-M328 HydrophobicContact CZ-SD 4.31Å; F230-Y331 HydrophobicContact CB-CD1 4.24Å; F230-Y331 HydrophobicContact CB-CE1 3.85Å; F230-Y331 AromaticContact CD2-CD1 3.58Å; F230-Y331 HydrophobicContact CD2-CD1 3.58Å; F230-Y331 AromaticContact CD2-CD2 3.8Å; F230-Y331 HydrophobicContact CD2-CD2 3.8Å; F230-Y331 AromaticContact CD2-CE1 3.64Å; F230-Y331 HydrophobicContact CD2-CE1 3.64Å; F230-Y331 AromaticContact CD2-CE2 3.87Å; F230-Y331 HydrophobicContact CD2-CE2 3.87Å; F230-Y331 AromaticContact CD2-CG 3.65Å; F230-Y331 HydrophobicContact CD2-CG 3.65Å; F230-Y331 AromaticContact CD2-CZ 3.79Å; F230-Y331 HydrophobicContact CE2-CD1 4.48Å; F230-Y331 AromaticContact CE2-CD2 3.98Å; F230-Y331 HydrophobicContact CE2-CD2 3.98Å; F230-Y331 HydrophobicContact CE2-CE2 4.23Å; F230-Y331 HydrophobicContact CE2-CG 4.11Å; F230-Y331 HydrophobicContact CG-CD1 4.41Å; F230-Y331 HydrophobicContact CG-CE1 4.23Å
231	V	94.5	Very high	95.7	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.012	13%	0.134	C	C	.	.	S	Bend	trans	-142.5	151.9	179.1	-71.3	0	0	0	0	111.2	I25 H226 G229 T233 I234 F235	I25-V231 HydrophobicContact CG2-CG1 4.45Å; H226-V231 HydrophobicContact CB-CG1 4.03Å; G229-V231 PolarHBondContact O-N 3.49Å; V231-T233 VanDerWaalsContact C-N 3.28Å; V231-T233 WeakPolarHBondContact CG2-OG1 3.3Å; V231-T233 PolarHBondContact O-N 3.45Å; V231-I234 HydrophobicContact CG2-CB 4.21Å; V231-I234 HydrophobicContact CG2-CD1 3.82Å; V231-I234 HydrophobicContact CG2-CG1 3.96Å; V231-I234 PolarHBondContact O-N 2.96Å; V231-F235 WeakPolarHBondContact O-CD1 3.43Å; V231-F235 PolarHBondContact O-N 2.9Å; V231-F235 VanDerWaalsContact O-N 3.09Å
232	P	93.8	Very high	95.4	Very high	17 Å²	17	27.6 Å²	27.6	11%	0.11	14%	0.143	C	C	.	.	H	α-helix	trans	-51.3	-43.9	-177.8	-28.9	34.9	0	0	0	114.4	I25 I234 F235 H236	I25-P232 HydrophobicContact CD1-CG 4.46Å; P232-I234 PolarHBondContact O-N 3.42Å; P232-F235 HydrophobicContact CB-CE1 4.37Å; P232-F235 HydrophobicContact CB-CE2 4.15Å; P232-F235 HydrophobicContact CB-CZ 3.86Å; P232-F235 HydrophobicContact CG-CE1 4.1Å; P232-F235 HydrophobicContact CG-CE2 4.49Å; P232-F235 HydrophobicContact CG-CZ 3.73Å; P232-F235 VanDerWaalsContact N-CE1 3.28Å; P232-F235 PolarHBondContact O-N 2.97Å; P232-H236 VanDerWaalsContact O-CB 3.28Å; P232-H236 WeakPolarHBondContact O-CB 3.37Å; P232-H236 PolarHBondContact O-CD2 2.68Å; P232-H236 PolarHBondContact O-N 2.94Å
233	T	92	Very high	95	Very high	23 Å²	23	31.3 Å²	31.3	14%	0.141	17%	0.168	C	C	.	.	H	α-helix	trans	-58.2	-21.7	178.5	49.1	0	0	0	0	114.5	E27 H184 V231 R237	E27-T233 HydrophobicContact CG-CG2 4.01Å; E27-T233 WeakPolarHBondContact OE1-CG2 3.3Å; E27-T233 VanDerWaalsContact OE2-CG2 3.3Å; E27-T233 WeakPolarHBondContact OE2-CG2 3.24Å; H184-T233 PolarHBondContact CE1-OG1 2.9Å; V231-T233 VanDerWaalsContact C-N 3.28Å; V231-T233 WeakPolarHBondContact CG2-OG1 3.3Å; V231-T233 PolarHBondContact O-N 3.45Å; T233-R237 WeakPolarHBondContact O-CD 3.06Å; T233-R237 WeakPolarHBondContact O-CG 3.31Å; T233-R237 PolarHBondContact O-NH1 2.79Å
234	I	94.5	Very high	94.6	Very high	7 Å²	7	37.9 Å²	37.9	4%	0.036	20%	0.199	C	C	.	.	H	α-helix	trans	-95.5	-57.6	175.1	-70.4	172.7	0	0	0	109.9	P194 G229 V231 P232 H236 R237 L238 F337	P194-I234 HydrophobicContact CG-CD1 3.72Å; G229-I234 VanDerWaalsContact CA-CD1 3.46Å; V231-I234 HydrophobicContact CG2-CB 4.21Å; V231-I234 HydrophobicContact CG2-CD1 3.82Å; V231-I234 HydrophobicContact CG2-CG1 3.96Å; V231-I234 PolarHBondContact O-N 2.96Å; P232-I234 PolarHBondContact O-N 3.42Å; I234-H236 VanDerWaalsContact C-N 3.28Å; I234-H236 PolarHBondContact O-N 2.79Å; I234-R237 CarbonylContact O-C 3.6Å; I234-R237 WeakPolarHBondContact O-CA 3.04Å; I234-R237 PolarHBondContact O-N 3.17Å; I234-L238 HydrophobicContact CG2-CD2 4.46Å; I234-L238 PolarHBondContact O-N 3.02Å; I234-L238 VanDerWaalsContact O-N 3.08Å; I234-F337 HydrophobicContact CD1-CE2 4.44Å; I234-F337 HydrophobicContact CG2-CE2 3.89Å; I234-F337 HydrophobicContact CG2-CZ 4.22Å
235	F	95.6	Very high	94.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-68.7	-24.5	-170.5	61.2	-119.2	0	0	0	114.1	V231 P232 R237 L238 V255 L276 L299 Y331	V231-F235 WeakPolarHBondContact O-CD1 3.43Å; V231-F235 PolarHBondContact O-N 2.9Å; V231-F235 VanDerWaalsContact O-N 3.09Å; P232-F235 HydrophobicContact CB-CE1 4.37Å; P232-F235 HydrophobicContact CB-CE2 4.15Å; P232-F235 HydrophobicContact CB-CZ 3.86Å; P232-F235 HydrophobicContact CG-CE1 4.1Å; P232-F235 HydrophobicContact CG-CE2 4.49Å; P232-F235 HydrophobicContact CG-CZ 3.73Å; P232-F235 VanDerWaalsContact N-CE1 3.28Å; P232-F235 PolarHBondContact O-N 2.97Å; F235-R237 VanDerWaalsContact C-N 3.27Å; F235-R237 PolarHBondContact O-N 3.09Å; F235-L238 HydrophobicContact CB-CD1 4.15Å; F235-V255 HydrophobicContact CD2-CG2 3.56Å; F235-V255 HydrophobicContact CE2-CG2 4.07Å; F235-L276 HydrophobicContact CB-CD1 4.2Å; F235-L299 HydrophobicContact CE2-CD1 3.92Å; F235-L299 HydrophobicContact CZ-CD1 4.2Å; F235-Y331 HydrophobicContact CB-CE2 3.89Å
236	H	94.4	Very high	93.3	Very high	90 Å²	90	48.8 Å²	48.8	42%	0.417	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-18.6	170.7	-77.1	-70.7	0	0	0	113.6	P232 I234	P232-H236 VanDerWaalsContact O-CB 3.28Å; P232-H236 WeakPolarHBondContact O-CB 3.37Å; P232-H236 PolarHBondContact O-CD2 2.68Å; P232-H236 PolarHBondContact O-N 2.94Å; I234-H236 VanDerWaalsContact C-N 3.28Å; I234-H236 PolarHBondContact O-N 2.79Å
237	R	93.6	Very high	92.6	Very high	167 Å²	167	49.5 Å²	49.5	63%	0.63	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.1	4.1	-177.9	-60.7	-171.9	-174.8	115.9	-4.6	113.2	T233 I234 F235	T233-R237 WeakPolarHBondContact O-CD 3.06Å; T233-R237 WeakPolarHBondContact O-CG 3.31Å; T233-R237 PolarHBondContact O-NH1 2.79Å; I234-R237 CarbonylContact O-C 3.6Å; I234-R237 WeakPolarHBondContact O-CA 3.04Å; I234-R237 PolarHBondContact O-N 3.17Å; F235-R237 VanDerWaalsContact C-N 3.27Å; F235-R237 PolarHBondContact O-N 3.09Å
238	L	95.5	Very high	92	Very high	13 Å²	13	55.5 Å²	55.5	7%	0.068	28%	0.283	C	S	.	.	S	Bend	trans	-58.1	148.5	172.3	-75.5	174.1	0	0	0	110.1	I234 F235 P254 L278 Y331 T335	I234-L238 HydrophobicContact CG2-CD2 4.46Å; I234-L238 PolarHBondContact O-N 3.02Å; I234-L238 VanDerWaalsContact O-N 3.08Å; F235-L238 HydrophobicContact CB-CD1 4.15Å; L238-P254 HydrophobicContact CB-CB 4.42Å; L238-P254 HydrophobicContact CB-CG 3.83Å; L238-L278 HydrophobicContact CD1-CD1 4.11Å; L238-L278 HydrophobicContact CD1-CD2 3.94Å; L238-Y331 HydrophobicContact CD1-CE2 4.35Å; L238-T335 HydrophobicContact CD1-CG2 4.37Å; L238-T335 HydrophobicContact CD2-CG2 4.17Å
239	P	93.6	Very high	91.4	Very high	107 Å²	107	60.9 Å²	60.9	70%	0.695	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-55.4	154.8	179.6	-25.6	34.6	0	0	0	112.7	L241 P254	P239-L241 PolarHBondContact O-N 3.29Å; P239-P254 WeakPolarHBondContact O-CG 2.98Å
240	D	94.8	Very high	90.9	Very high	84 Å²	84	62.5 Å²	62.5	45%	0.449	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-57.8	136.7	173.8	-74.5	1.2	0	0	0	110.4	L252 K253	D240-L252 HydrophobicContact CB-CB 3.91Å; D240-K253 WeakPolarHBondContact OD1-CD 3.47Å; D240-K253 VanDerWaalsContact OD1-CE 3.32Å; D240-K253 WeakPolarHBondContact OD1-CE 3.33Å; D240-K253 IonicContact OD1-NZ 2.88Å; D240-K253 PolarHBondContact OD1-NZ 3.13Å; D240-K253 IonicContact OD2-NZ 2.64Å
241	L	93.2	Very high	90.7	Very high	14 Å²	14	65 Å²	65	7%	0.073	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-61.8	146.9	175.9	-59.4	174.4	0	0	0	109.6	P239 L252 P254 R277 L278 P279	P239-L241 PolarHBondContact O-N 3.29Å; L241-L252 WeakPolarHBondContact CB-O 3.4Å; L241-L252 VanDerWaalsContact CG-O 3.25Å; L241-L252 WeakPolarHBondContact CG-O 3.21Å; L241-L252 PolarHBondContact N-O 2.73Å; L241-L252 WeakPolarHBondContact O-CD2 3.33Å; L241-P254 HydrophobicContact CD2-CG 4.19Å; L241-P254 HydrophobicContact CG-CG 4.31Å; L241-R277 HydrophobicContact CD1-CB 4.35Å; L241-R277 HydrophobicContact CD1-CG 4Å; L241-R277 VanDerWaalsContact CD1-O 3.23Å; L241-R277 WeakPolarHBondContact CD1-O 3.17Å; L241-R277 WeakPolarHBondContact CD2-O 3.41Å; L241-L278 HydrophobicContact CD2-CD2 4.31Å; L241-P279 HydrophobicContact CD2-CG 4.46Å
242	S	91.4	Very high	90.6	Very high	46 Å²	46	67.4 Å²	67.4	32%	0.322	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-63.8	150.3	172.9	58.7	0	0	0	0	111.1	Q244 Y245	S242-Q244 PolarHBondContact O-N 3.15Å; S242-Q244 PolarHBondContact OG-NE2 3.4Å; S242-Q244 PolarHBondContact OG-OE1 3.21Å; S242-Y245 PolarHBondContact O-N 3.32Å; S242-Y245 VanDerWaalsContact OG-CD2 3.26Å; S242-Y245 WeakPolarHBondContact OG-CD2 3.25Å
243	P	88.9	Confident	90.6	Very high	85 Å²	85	71.6 Å²	71.6	55%	0.552	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-54.3	-29.2	-171.8	-29.7	36.1	0	0	0	115.2	Y245 R246	P243-Y245 PolarHBondContact O-N 3.23Å; P243-R246 WeakPolarHBondContact O-CB 3.48Å; P243-R246 WeakPolarHBondContact O-CD 3.35Å; P243-R246 WeakPolarHBondContact O-CG 3.42Å; P243-R246 PolarHBondContact O-N 2.51Å
244	Q	88.6	Confident	90.8	Very high	140 Å²	140	70.5 Å²	70.5	65%	0.654	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-67.2	-20	176.9	68.7	-88.7	28.2	0	0	114.1	S242	S242-Q244 PolarHBondContact O-N 3.15Å; S242-Q244 PolarHBondContact OG-NE2 3.4Å; S242-Q244 PolarHBondContact OG-OE1 3.21Å
245	Y	87	Confident	90.9	Very high	82 Å²	82	71.1 Å²	71.1	32%	0.322	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-101.5	6	175.6	-62.6	-73.6	0	0	0	112.6	S242 P243 R277 P279	S242-Y245 PolarHBondContact O-N 3.32Å; S242-Y245 VanDerWaalsContact OG-CD2 3.26Å; S242-Y245 WeakPolarHBondContact OG-CD2 3.25Å; P243-Y245 PolarHBondContact O-N 3.23Å; Y245-R277 VanDerWaalsContact O-CZ 3.27Å; Y245-R277 PolarHBondContact O-NE 2.96Å; Y245-R277 PolarHBondContact O-NH2 3.16Å; Y245-P279 HydrophobicContact CD1-CB 4.27Å; Y245-P279 HydrophobicContact CD1-CG 4.35Å; Y245-P279 HydrophobicContact CD2-CB 4.24Å; Y245-P279 HydrophobicContact CD2-CG 3.78Å; Y245-P279 HydrophobicContact CE1-CB 3.92Å; Y245-P279 HydrophobicContact CE1-CG 4.42Å; Y245-P279 HydrophobicContact CE2-CB 3.9Å; Y245-P279 HydrophobicContact CE2-CG 3.87Å; Y245-P279 HydrophobicContact CG-CB 4.44Å; Y245-P279 HydrophobicContact CG-CG 4.05Å
246	R	82.4	Confident	90.8	Very high	147 Å²	147	71.4 Å²	71.4	56%	0.555	37%	0.369	S	S	*	.			trans	-61.8	151.3	177.5	78.8	-169.2	177.2	168.9	-2.2	112	P243 L252 R277	P243-R246 WeakPolarHBondContact O-CB 3.48Å; P243-R246 WeakPolarHBondContact O-CD 3.35Å; P243-R246 WeakPolarHBondContact O-CG 3.42Å; P243-R246 PolarHBondContact O-N 2.51Å; R246-L252 HydrophobicContact CB-CD2 3.53Å; R246-R277 PolarHBondContact O-NH2 2.91Å
247	M	82.6	Confident	90.8	Very high	14 Å²	14	72.1 Å²	72.1	7%	0.069	38%	0.376	C	S	.	.			trans	-72.3	161.7	168.4	-79.8	-70.5	-74.1	0	0	110.4	N249 G250 N251 V258 E295	M247-N249 WeakPolarHBondContact CB-OD1 3.41Å; M247-N249 PolarHBondContact O-N 3.28Å; M247-N249 VanDerWaalsContact O-N 3.07Å; M247-G250 PolarHBondContact O-N 2.73Å; M247-N251 PolarHBondContact N-O 2.71Å; M247-V258 HydrophobicContact CE-CG2 4.18Å; M247-E295 HydrophobicContact CE-CB 4.07Å; M247-E295 HydrophobicContact CE-CG 4.02Å; M247-E295 WeakPolarHBondContact CE-OE1 3.17Å; M247-E295 HydrophobicContact SD-CB 3.91Å; M247-E295 HydrophobicContact SD-CG 4.08Å
248	P	82.9	Confident	90.9	Very high	127 Å²	127	64.7 Å²	64.7	83%	0.825	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-28.7	178.4	-27.4	35.7	0	0	0	114	G250	P248-G250 PolarHBondContact O-N 2.88Å
249	N	85.5	Confident	90.9	Very high	113 Å²	113	67.1 Å²	67.1	60%	0.604	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	1.2	175.6	66.7	1.3	0	0	0	114.5	M247 N251	M247-N249 WeakPolarHBondContact CB-OD1 3.41Å; M247-N249 PolarHBondContact O-N 3.28Å; M247-N249 VanDerWaalsContact O-N 3.07Å; N249-N251 VanDerWaalsContact C-N 3.34Å; N249-N251 PolarHBondContact O-N 2.9Å; N249-N251 VanDerWaalsContact OD1-CB 3.29Å; N249-N251 WeakPolarHBondContact OD1-CB 3.2Å; N249-N251 PolarHBondContact OD1-N 3.09Å
250	G	87.6	Confident	91	Very high	34 Å²	34	63.1 Å²	63.1	35%	0.351	34%	0.337	S	S	.	.			trans	82.4	0.2	-179.4	0	0	0	0	0	115.6	M247 P248 L252	M247-G250 PolarHBondContact O-N 2.73Å; P248-G250 PolarHBondContact O-N 2.88Å; G250-L252 PolarHBondContact O-N 3.46Å
251	N	91.2	Very high	91.1	Very high	54 Å²	54	63.6 Å²	63.6	29%	0.289	33%	0.333	S	S	.	.			trans	-68.4	123.9	-179.3	-173.4	1.6	0	0	0	111.5	M247 N249 K253 Q256	M247-N251 PolarHBondContact N-O 2.71Å; N249-N251 VanDerWaalsContact C-N 3.34Å; N249-N251 PolarHBondContact O-N 2.9Å; N249-N251 VanDerWaalsContact OD1-CB 3.29Å; N249-N251 WeakPolarHBondContact OD1-CB 3.2Å; N249-N251 PolarHBondContact OD1-N 3.09Å; N251-K253 WeakPolarHBondContact OD1-CB 3.31Å; N251-K253 PolarHBondContact OD1-N 3.24Å; N251-Q256 PolarHBondContact ND2-OE1 2.99Å; N251-Q256 PolarHBondContact O-NE2 2.95Å
252	L	92.6	Very high	91.3	Very high	52 Å²	52	62.9 Å²	62.9	27%	0.272	33%	0.329	S	S	.	.			trans	-97.5	-7.2	179.8	-57.5	176.2	0	0	0	113.2	D240 L241 R246 G250	D240-L252 HydrophobicContact CB-CB 3.91Å; L241-L252 WeakPolarHBondContact CB-O 3.4Å; L241-L252 VanDerWaalsContact CG-O 3.25Å; L241-L252 WeakPolarHBondContact CG-O 3.21Å; L241-L252 PolarHBondContact N-O 2.73Å; L241-L252 WeakPolarHBondContact O-CD2 3.33Å; R246-L252 HydrophobicContact CB-CD2 3.53Å; G250-L252 PolarHBondContact O-N 3.46Å
253	K	95.1	Very high	91.6	Very high	104 Å²	104	63 Å²	63	45%	0.452	33%	0.325	S	S	.	.			trans	-68	140.3	-178.6	-65.7	-66.8	174.3	-160.8	0	111.1	D240 N251 V255 Q256	D240-K253 WeakPolarHBondContact OD1-CD 3.47Å; D240-K253 VanDerWaalsContact OD1-CE 3.32Å; D240-K253 WeakPolarHBondContact OD1-CE 3.33Å; D240-K253 IonicContact OD1-NZ 2.88Å; D240-K253 PolarHBondContact OD1-NZ 3.13Å; D240-K253 IonicContact OD2-NZ 2.64Å; N251-K253 WeakPolarHBondContact OD1-CB 3.31Å; N251-K253 PolarHBondContact OD1-N 3.24Å; K253-V255 VanDerWaalsContact C-N 3.34Å; K253-V255 PolarHBondContact O-N 3.14Å; K253-Q256 VanDerWaalsContact O-CD 3.3Å; K253-Q256 WeakPolarHBondContact O-CG 3.01Å; K253-Q256 PolarHBondContact O-NE2 3.18Å
254	P	95.6	Very high	92	Very high	1 Å²	1	59 Å²	59	1%	0.006	30%	0.3	C	S	.	.	S	Bend	trans	-58.9	-41.7	174.1	-32.2	40.3	0	0	0	113.8	L238 P239 L241 L276 R277 L278	L238-P254 HydrophobicContact CB-CB 4.42Å; L238-P254 HydrophobicContact CB-CG 3.83Å; P239-P254 WeakPolarHBondContact O-CG 2.98Å; L241-P254 HydrophobicContact CD2-CG 4.19Å; L241-P254 HydrophobicContact CG-CG 4.31Å; P254-L276 HydrophobicContact CB-CD1 4.19Å; P254-R277 PolarHBondContact O-N 3.09Å; P254-L278 HydrophobicContact CB-CD2 3.74Å; P254-L278 HydrophobicContact CB-CG 4.47Å; P254-L278 HydrophobicContact CG-CD2 4.16Å
255	V	96.1	Very high	92.4	Very high	19 Å²	19	54.3 Å²	54.3	12%	0.115	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	125.9	176	-174.7	0	0	0	0	110	F235 K253 Q274 V275 L276 L299	F235-V255 HydrophobicContact CD2-CG2 3.56Å; F235-V255 HydrophobicContact CE2-CG2 4.07Å; K253-V255 VanDerWaalsContact C-N 3.34Å; K253-V255 PolarHBondContact O-N 3.14Å; V255-Q274 HydrophobicContact CG1-CG 3.32Å; V255-V275 WeakPolarHBondContact CA-O 3.46Å; V255-L276 HydrophobicContact CG2-CD1 3.88Å; V255-L299 HydrophobicContact CG1-CD1 4.26Å
256	Q	93.9	Very high	92.8	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.028	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	160.4	-175.6	-51.6	-162.5	31.6	0	0	111.9	N251 K253 Q274 V275	N251-Q256 PolarHBondContact ND2-OE1 2.99Å; N251-Q256 PolarHBondContact O-NE2 2.95Å; K253-Q256 VanDerWaalsContact O-CD 3.3Å; K253-Q256 WeakPolarHBondContact O-CG 3.01Å; K253-Q256 PolarHBondContact O-NE2 3.18Å; Q256-Q274 CarbonylContact O-C 3.58Å; Q256-Q274 WeakPolarHBondContact O-CA 3.21Å; Q256-V275 HydrophobicContact CB-CG2 4.33Å; Q256-V275 PolarHBondContact N-O 2.69Å; Q256-V275 PolarHBondContact O-N 3.2Å
257	N	95	Very high	93.5	Very high	106 Å²	106	48.6 Å²	48.6	57%	0.567	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.3	170.8	-73.1	-22.3	0	0	0	109.9	T272 R273	N257-T272 HydrophobicContact CB-CG2 3.75Å; N257-R273 CarbonylContact C-O 3.6Å; N257-R273 WeakPolarHBondContact CA-O 3.48Å
258	V	94.4	Very high	94.3	Very high	10 Å²	10	53.5 Å²	53.5	6%	0.061	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.1	175	171.5	0	0	0	0	108.6	M247 L260 T272 R273 V275 E295	M247-V258 HydrophobicContact CE-CG2 4.18Å; V258-L260 HydrophobicContact CG1-CD2 3.74Å; V258-L260 HydrophobicContact CG1-CG 4.26Å; V258-T272 CarbonylContact O-C 3.57Å; V258-T272 WeakPolarHBondContact O-CA 3.35Å; V258-R273 PolarHBondContact N-O 3.11Å; V258-R273 PolarHBondContact O-N 3.22Å; V258-V275 HydrophobicContact CB-CG1 4.26Å; V258-V275 HydrophobicContact CG2-CG1 4.11Å; V258-V275 HydrophobicContact CG2-CG2 3.64Å; V258-E295 WeakPolarHBondContact CG1-OE2 3.14Å; V258-E295 HydrophobicContact CG2-CB 4.22Å; V258-E295 WeakPolarHBondContact CG2-OE2 3.49Å
259	T	95.9	Very high	95	Very high	64 Å²	64	50.3 Å²	50.3	39%	0.393	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	116	175.4	-58.1	0	0	0	0	110	R270 V271 T272	T259-R270 HydrophobicContact CG2-CB 3.82Å; T259-R270 HydrophobicContact CG2-CG 4.49Å; T259-V271 WeakPolarHBondContact CA-O 3.4Å; T259-T272 PolarHBondContact OG1-OG1 2.64Å; T259-T272 VanDerWaalsContact OG1-OG1 3.14Å
260	L	96.2	Very high	95.6	Very high	23 Å²	23	54.4 Å²	54.4	12%	0.12	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	144	179.3	-59.3	177.6	0	0	0	110.9	V258 W262 R270 V271 R273	V258-L260 HydrophobicContact CG1-CD2 3.74Å; V258-L260 HydrophobicContact CG1-CG 4.26Å; L260-W262 HydrophobicContact CB-CE3 4.1Å; L260-W262 HydrophobicContact CB-CZ3 4.4Å; L260-W262 HydrophobicContact CD1-CE3 4.44Å; L260-W262 HydrophobicContact CD1-CZ3 3.91Å; L260-R270 WeakPolarHBondContact O-CA 3.42Å; L260-V271 PolarHBondContact N-O 2.8Å; L260-V271 PolarHBondContact O-N 2.9Å; L260-R273 HydrophobicContact CD1-CG 4.22Å
261	R	97.2	Very high	96	Very high	94 Å²	94	53.3 Å²	53.3	36%	0.355	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	127	167.1	-168.9	-174.1	72.7	92.5	5.4	108.7	E268 E365	R261-E268 WeakPolarHBondContact CD-OE1 3.45Å; R261-E268 HydrophobicContact CG-CG 3.96Å; R261-E268 WeakPolarHBondContact CG-OE1 3.06Å; R261-E268 IonicContact CZ-OE2 2.68Å; R261-E268 IonicContact NH1-OE1 3.58Å; R261-E268 IonicContact NH1-OE2 3.8Å; R261-E268 PolarHBondContact NH1-OE2 3.01Å; R261-E365 IonicContact CZ-OE1 2.73Å; R261-E365 IonicContact CZ-OE2 3.84Å; R261-E365 IonicContact NH2-OE1 3.6Å; R261-E365 PolarHBondContact NH2-OE1 3.07Å; R261-E365 IonicContact NH2-OE2 3.81Å; R261-E365 PolarHBondContact NH2-OE2 2.91Å
262	W	97.6	Very high	96.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	103.8	-165.3	-152.8	-99.7	0	0	0	111.3	L260 F269 V271 Q411 F414	L260-W262 HydrophobicContact CB-CE3 4.1Å; L260-W262 HydrophobicContact CB-CZ3 4.4Å; L260-W262 HydrophobicContact CD1-CE3 4.44Å; L260-W262 HydrophobicContact CD1-CZ3 3.91Å; W262-F269 HydrophobicContact CB-CB 4.38Å; W262-F269 PolarHBondContact N-O 2.72Å; W262-F269 PolarHBondContact O-N 2.82Å; W262-V271 HydrophobicContact CB-CB 4.15Å; W262-V271 HydrophobicContact CB-CG2 3.59Å; W262-V271 HydrophobicContact CD2-CB 4.26Å; W262-V271 HydrophobicContact CD2-CG2 4.06Å; W262-V271 HydrophobicContact CE3-CB 4.45Å; W262-V271 HydrophobicContact CG-CB 4.16Å; W262-V271 HydrophobicContact CG-CG2 3.54Å; W262-Q411 PolarHBondContact NE1-O 3.33Å; W262-F414 AromaticContact NE1-CE1 3.89Å; W262-F414 AromaticContact NE1-CZ 3.63Å
263	L	98.2	Very high	96.4	Very high	47 Å²	47	53.7 Å²	53.7	25%	0.246	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	127	178.2	-174.6	66.5	0	0	0	110.1	E268 S362 Y364 E365	L263-E268 HydrophobicContact CD1-CB 4.36Å; L263-S362 VanDerWaalsContact O-CB 3.29Å; L263-S362 WeakPolarHBondContact O-CB 3.35Å; L263-S362 PolarHBondContact O-OG 3.01Å; L263-Y364 HydrophobicContact CD2-CD1 4.25Å; L263-Y364 HydrophobicContact CD2-CE1 4.27Å; L263-Y364 HydrophobicContact CG-CD1 4.03Å; L263-Y364 HydrophobicContact CG-CE1 4.25Å; L263-E365 HydrophobicContact CB-CB 4.05Å; L263-E365 HydrophobicContact CB-CG 4.31Å; L263-E365 HydrophobicContact CD2-CB 4.19Å; L263-E365 HydrophobicContact CD2-CG 3.88Å
264	S	97.3	Very high	96.5	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.021	26%	0.264	C	S	.	.			trans	-113.6	-178.8	166.7	80.5	0	0	0	0	110.1	V266 G267 F269 Y364 P410 Q413	S264-V266 PolarHBondContact O-N 2.92Å; S264-V266 WeakPolarHBondContact OG-CG2 3.36Å; S264-V266 PolarHBondContact OG-N 2.91Å; S264-G267 PolarHBondContact N-O 3.34Å; S264-G267 PolarHBondContact OG-O 2.03Å; S264-F269 WeakPolarHBondContact OG-CE2 3.28Å; S264-Y364 WeakPolarHBondContact O-CE1 3.43Å; S264-P410 WeakPolarHBondContact CB-O 3.38Å; S264-P410 PolarHBondContact OG-O 2.76Å; S264-Q413 WeakPolarHBondContact CB-O 3.42Å
265	A	95.8	Very high	96.5	Very high	40 Å²	40	52.1 Å²	52.1	33%	0.331	27%	0.267	S	S	.	.	S	Bend	trans	-68.6	-18.1	176.6	0	0	0	0	0	112.6	Y364 Q413 M415 D416	A265-Y364 HydrophobicContact CB-CE2 4.18Å; A265-Q413 VanDerWaalsContact CB-O 3.31Å; A265-Q413 WeakPolarHBondContact CB-O 3.47Å; A265-Q413 PolarHBondContact N-O 3.14Å; A265-M415 WeakPolarHBondContact CB-O 3.34Å; A265-D416 HydrophobicContact CB-CB 4.37Å
266	V	95.8	Very high	96.6	Very high	83 Å²	83	51.3 Å²	51.3	50%	0.503	26%	0.261	S	S	.	.	S	Bend	trans	-103.5	-11.8	-177.1	-61	0	0	0	0	114.1	S264 F269 P410 Q413	S264-V266 PolarHBondContact O-N 2.92Å; S264-V266 WeakPolarHBondContact OG-CG2 3.36Å; S264-V266 PolarHBondContact OG-N 2.91Å; V266-F269 HydrophobicContact CG2-CE2 4.07Å; V266-F269 HydrophobicContact CG2-CZ 4.09Å; V266-P410 HydrophobicContact CG2-CB 3.79Å; V266-P410 WeakPolarHBondContact CG2-O 3.36Å; V266-Q413 HydrophobicContact CG1-CB 4.25Å; V266-Q413 HydrophobicContact CG2-CB 4.29Å
267	G	97.5	Very high	96.7	Very high	27 Å²	27	52 Å²	52	28%	0.278	26%	0.264	S	S	.	.			trans	163.3	-173.9	178.3	0	0	0	0	0	114.4	S264 F269	S264-G267 PolarHBondContact N-O 3.34Å; S264-G267 PolarHBondContact OG-O 2.03Å; G267-F269 WeakPolarHBondContact O-CD2 2.96Å; G267-F269 WeakPolarHBondContact O-CE2 2.88Å
268	E	98.3	Very high	96.7	Very high	116 Å²	116	47.2 Å²	47.2	54%	0.542	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133.6	175.3	-172.6	173.7	135.2	0	0	110.8	R261 L263	R261-E268 WeakPolarHBondContact CD-OE1 3.45Å; R261-E268 HydrophobicContact CG-CG 3.96Å; R261-E268 WeakPolarHBondContact CG-OE1 3.06Å; R261-E268 IonicContact CZ-OE2 2.68Å; R261-E268 IonicContact NH1-OE1 3.58Å; R261-E268 IonicContact NH1-OE2 3.8Å; R261-E268 PolarHBondContact NH1-OE2 3.01Å; L263-E268 HydrophobicContact CD1-CB 4.36Å
269	F	98.4	Very high	96.8	Very high	61 Å²	61	48 Å²	48	27%	0.268	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	167.4	-176.3	-58.8	-89.9	0	0	0	110.7	W262 S264 V266 G267 P410 Q411	W262-F269 HydrophobicContact CB-CB 4.38Å; W262-F269 PolarHBondContact N-O 2.72Å; W262-F269 PolarHBondContact O-N 2.82Å; S264-F269 WeakPolarHBondContact OG-CE2 3.28Å; V266-F269 HydrophobicContact CG2-CE2 4.07Å; V266-F269 HydrophobicContact CG2-CZ 4.09Å; G267-F269 WeakPolarHBondContact O-CD2 2.96Å; G267-F269 WeakPolarHBondContact O-CE2 2.88Å; F269-P410 HydrophobicContact CE1-CB 3.74Å; F269-P410 HydrophobicContact CE2-CB 4.21Å; F269-P410 HydrophobicContact CZ-CB 3.37Å; F269-Q411 HydrophobicContact CB-CB 3.86Å; F269-Q411 HydrophobicContact CD1-CB 4.14Å; F269-Q411 HydrophobicContact CD2-CB 3.78Å; F269-Q411 HydrophobicContact CE2-CB 4.42Å; F269-Q411 HydrophobicContact CG-CB 3.63Å
270	R	97.9	Very high	96.9	Very high	199 Å²	199	46.2 Å²	46.2	75%	0.751	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	121	168.3	-63	-175.6	73.6	97.7	0.8	108.3	T259 L260	T259-R270 HydrophobicContact CG2-CB 3.82Å; T259-R270 HydrophobicContact CG2-CG 4.49Å; L260-R270 WeakPolarHBondContact O-CA 3.42Å
271	V	96.8	Very high	97	Very high	10 Å²	10	45.1 Å²	45.1	6%	0.061	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.4	-178.6	175.2	0	0	0	0	109	T259 L260 W262 R273 Q411	T259-V271 WeakPolarHBondContact CA-O 3.4Å; L260-V271 PolarHBondContact N-O 2.8Å; L260-V271 PolarHBondContact O-N 2.9Å; W262-V271 HydrophobicContact CB-CB 4.15Å; W262-V271 HydrophobicContact CB-CG2 3.59Å; W262-V271 HydrophobicContact CD2-CB 4.26Å; W262-V271 HydrophobicContact CD2-CG2 4.06Å; W262-V271 HydrophobicContact CE3-CB 4.45Å; W262-V271 HydrophobicContact CG-CB 4.16Å; W262-V271 HydrophobicContact CG-CG2 3.54Å; V271-R273 HydrophobicContact CG1-CG 4.37Å; V271-Q411 HydrophobicContact CG2-CB 4.31Å; V271-Q411 HydrophobicContact CG2-CG 4.17Å
272	T	96.6	Very high	96.9	Very high	75 Å²	75	40.9 Å²	40.9	46%	0.46	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	131.5	175.3	-61.9	0	0	0	0	110	N257 V258 T259	N257-T272 HydrophobicContact CB-CG2 3.75Å; V258-T272 CarbonylContact O-C 3.57Å; V258-T272 WeakPolarHBondContact O-CA 3.35Å; T259-T272 PolarHBondContact OG1-OG1 2.64Å; T259-T272 VanDerWaalsContact OG1-OG1 3.14Å
273	R	95.7	Very high	96.9	Very high	40 Å²	40	46.2 Å²	46.2	15%	0.151	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.1	177.5	-68.2	-55.4	-170.1	-131	6.5	110.6	N257 V258 L260 V271 E298 D436	N257-R273 CarbonylContact C-O 3.6Å; N257-R273 WeakPolarHBondContact CA-O 3.48Å; V258-R273 PolarHBondContact N-O 3.11Å; V258-R273 PolarHBondContact O-N 3.22Å; L260-R273 HydrophobicContact CD1-CG 4.22Å; V271-R273 HydrophobicContact CG1-CG 4.37Å; R273-E298 HydrophobicContact CB-CG 4.11Å; R273-E298 WeakPolarHBondContact CD-OE1 3.35Å; R273-E298 HydrophobicContact CG-CG 4.27Å; R273-E298 IonicContact NE-OE1 2.63Å; R273-E298 PolarHBondContact NE-OE1 3.49Å; R273-D436 IonicContact CZ-OD1 3.29Å; R273-D436 IonicContact CZ-OD2 3.81Å; R273-D436 IonicContact NE-OD2 3.66Å; R273-D436 IonicContact NH2-OD1 3.21Å; R273-D436 PolarHBondContact NH2-OD1 3.33Å; R273-D436 IonicContact NH2-OD2 3.41Å; R273-D436 PolarHBondContact NH2-OD2 3Å
274	Q	96.2	Very high	97	Very high	61 Å²	61	44.3 Å²	44.3	29%	0.285	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	133.3	169.2	-167.4	-179.2	79.3	0	0	108.6	V255 Q256 E298 L299	V255-Q274 HydrophobicContact CG1-CG 3.32Å; Q256-Q274 CarbonylContact O-C 3.58Å; Q256-Q274 WeakPolarHBondContact O-CA 3.21Å; Q274-E298 WeakPolarHBondContact O-CA 3.48Å; Q274-L299 HydrophobicContact CG-CD1 4.26Å; Q274-L299 PolarHBondContact O-N 3.29Å
275	V	97	Very high	97	Very high	11 Å²	11	44.2 Å²	44.2	7%	0.067	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.8	178.9	-55.9	0	0	0	0	110.3	V255 Q256 V258 I297	V255-V275 WeakPolarHBondContact CA-O 3.46Å; Q256-V275 HydrophobicContact CB-CG2 4.33Å; Q256-V275 PolarHBondContact N-O 2.69Å; Q256-V275 PolarHBondContact O-N 3.2Å; V258-V275 HydrophobicContact CB-CG1 4.26Å; V258-V275 HydrophobicContact CG2-CG1 4.11Å; V258-V275 HydrophobicContact CG2-CG2 3.64Å; V275-I297 CarbonylContact C-O 3.56Å; V275-I297 VanDerWaalsContact CA-O 3.25Å; V275-I297 WeakPolarHBondContact CA-O 3.47Å
276	L	96.7	Very high	97.1	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	113.8	166.9	-170	58	0	0	0	109.2	F230 F235 P254 V255 L278 M281 G296 I297 L299 Y331	F230-L276 HydrophobicContact CE2-CD2 4.3Å; F235-L276 HydrophobicContact CB-CD1 4.2Å; P254-L276 HydrophobicContact CB-CD1 4.19Å; V255-L276 HydrophobicContact CG2-CD1 3.88Å; L276-L278 HydrophobicContact CD1-CD1 3.88Å; L276-L278 HydrophobicContact CD1-CG 3.97Å; L276-L278 HydrophobicContact CD2-CD1 3.73Å; L276-L278 HydrophobicContact CD2-CG 4.5Å; L276-L278 HydrophobicContact CG-CD1 3.7Å; L276-L278 HydrophobicContact CG-CG 3.93Å; L276-M281 HydrophobicContact CB-SD 4.36Å; L276-M281 HydrophobicContact CD2-CE 4.29Å; L276-M281 HydrophobicContact CD2-SD 3.8Å; L276-M281 HydrophobicContact CG-SD 4.07Å; L276-G296 WeakPolarHBondContact O-CA 3.44Å; L276-I297 PolarHBondContact N-O 3.47Å; L276-I297 PolarHBondContact O-N 2.61Å; L276-L299 HydrophobicContact CB-CD1 4.11Å; L276-L299 HydrophobicContact CB-CD2 4.08Å; L276-L299 HydrophobicContact CB-CG 4.13Å; L276-Y331 HydrophobicContact CD2-CD2 3.81Å; L276-Y331 HydrophobicContact CD2-CE2 4.01Å
277	R	95.6	Very high	97.3	Very high	21 Å²	21	48.4 Å²	48.4	8%	0.079	22%	0.218	C	C	.	.			trans	-107.8	90.7	-179.6	-177.6	174.9	176.9	93.5	-8.1	108.9	L241 Y245 R246 P254 L282 E295	L241-R277 HydrophobicContact CD1-CB 4.35Å; L241-R277 HydrophobicContact CD1-CG 4Å; L241-R277 VanDerWaalsContact CD1-O 3.23Å; L241-R277 WeakPolarHBondContact CD1-O 3.17Å; L241-R277 WeakPolarHBondContact CD2-O 3.41Å; Y245-R277 VanDerWaalsContact O-CZ 3.27Å; Y245-R277 PolarHBondContact O-NE 2.96Å; Y245-R277 PolarHBondContact O-NH2 3.16Å; R246-R277 PolarHBondContact O-NH2 2.91Å; P254-R277 PolarHBondContact O-N 3.09Å; R277-L282 HydrophobicContact CG-CD2 4.29Å; R277-E295 VanDerWaalsContact CD-O 3.29Å; R277-E295 WeakPolarHBondContact CD-O 3.13Å; R277-E295 VanDerWaalsContact CG-O 3.28Å; R277-E295 WeakPolarHBondContact CG-O 3.04Å; R277-E295 PolarHBondContact NH1-O 3.34Å
278	L	96.3	Very high	97.3	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	21%	0.21	C	C	.	.			trans	-120.1	142.1	176.4	-66.5	169.6	0	0	0	110.4	L238 L241 P254 L276 N280 M281 L282 Y331 D334	L238-L278 HydrophobicContact CD1-CD1 4.11Å; L238-L278 HydrophobicContact CD1-CD2 3.94Å; L241-L278 HydrophobicContact CD2-CD2 4.31Å; P254-L278 HydrophobicContact CB-CD2 3.74Å; P254-L278 HydrophobicContact CB-CG 4.47Å; P254-L278 HydrophobicContact CG-CD2 4.16Å; L276-L278 HydrophobicContact CD1-CD1 3.88Å; L276-L278 HydrophobicContact CD1-CG 3.97Å; L276-L278 HydrophobicContact CD2-CD1 3.73Å; L276-L278 HydrophobicContact CD2-CG 4.5Å; L276-L278 HydrophobicContact CG-CD1 3.7Å; L276-L278 HydrophobicContact CG-CG 3.93Å; L278-N280 PolarHBondContact O-N 2.98Å; L278-M281 HydrophobicContact CB-CB 4.03Å; L278-M281 HydrophobicContact CD1-SD 4.49Å; L278-M281 PolarHBondContact O-N 3.05Å; L278-L282 WeakPolarHBondContact O-CB 3.31Å; L278-L282 PolarHBondContact O-N 3.37Å; L278-Y331 HydrophobicContact CD1-CD2 3.66Å; L278-Y331 HydrophobicContact CD1-CE2 4.08Å; L278-D334 HydrophobicContact CB-CB 3.71Å; L278-D334 VanDerWaalsContact CB-CG 3.5Å; L278-D334 WeakPolarHBondContact CB-OD2 3.48Å; L278-D334 HydrophobicContact CD1-CB 3.85Å; L278-D334 HydrophobicContact CD2-CB 4.14Å; L278-D334 HydrophobicContact CG-CB 4.12Å
279	P	96.1	Very high	97.3	Very high	27 Å²	27	42.9 Å²	42.9	18%	0.175	19%	0.185	C	C	.	.	H	α-helix	trans	-57.7	-49.6	-169.1	-28.9	36.8	0	0	0	115.4	L241 Y245 R283 D334	L241-P279 HydrophobicContact CD2-CG 4.46Å; Y245-P279 HydrophobicContact CD1-CB 4.27Å; Y245-P279 HydrophobicContact CD1-CG 4.35Å; Y245-P279 HydrophobicContact CD2-CB 4.24Å; Y245-P279 HydrophobicContact CD2-CG 3.78Å; Y245-P279 HydrophobicContact CE1-CB 3.92Å; Y245-P279 HydrophobicContact CE1-CG 4.42Å; Y245-P279 HydrophobicContact CE2-CB 3.9Å; Y245-P279 HydrophobicContact CE2-CG 3.87Å; Y245-P279 HydrophobicContact CG-CB 4.44Å; Y245-P279 HydrophobicContact CG-CG 4.05Å; P279-R283 WeakPolarHBondContact O-CB 3.37Å; P279-R283 PolarHBondContact O-N 3Å; P279-R283 VanDerWaalsContact O-N 3.1Å; P279-D334 WeakPolarHBondContact CD-OD1 3.47Å
280	N	97.7	Very high	97.3	Very high	27 Å²	27	42.3 Å²	42.3	14%	0.144	20%	0.196	C	C	.	.	H	α-helix	trans	-72.2	-44.9	-178.9	-63.7	-78.5	0	0	0	110.6	L278 L282 R283 E284 A330 D334	L278-N280 PolarHBondContact O-N 2.98Å; N280-L282 VanDerWaalsContact C-N 3.34Å; N280-L282 PolarHBondContact O-N 2.69Å; N280-R283 PolarHBondContact O-N 2.9Å; N280-R283 VanDerWaalsContact OD1-CZ 3.22Å; N280-R283 PolarHBondContact OD1-NH1 3.3Å; N280-R283 PolarHBondContact OD1-NH2 3.04Å; N280-E284 WeakPolarHBondContact O-CG 3.43Å; N280-E284 PolarHBondContact O-N 2.98Å; N280-A330 HydrophobicContact CB-CB 4.01Å; N280-D334 WeakPolarHBondContact CA-OD2 3.43Å; N280-D334 WeakPolarHBondContact CB-OD1 3.36Å; N280-D334 WeakPolarHBondContact CB-OD2 3.34Å; N280-D334 PolarHBondContact N-OD1 3.34Å; N280-D334 PolarHBondContact N-OD2 3.5Å; N280-D334 PolarHBondContact ND2-OD1 3.21Å
281	M	97.7	Very high	97.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57.9	-46.1	177.8	-167.2	-173.4	-170.3	0	0	111.6	L276 L278 E284 A285 I297 L304 I327 A330 D334	L276-M281 HydrophobicContact CB-SD 4.36Å; L276-M281 HydrophobicContact CD2-CE 4.29Å; L276-M281 HydrophobicContact CD2-SD 3.8Å; L276-M281 HydrophobicContact CG-SD 4.07Å; L278-M281 HydrophobicContact CB-CB 4.03Å; L278-M281 HydrophobicContact CD1-SD 4.49Å; L278-M281 PolarHBondContact O-N 3.05Å; M281-E284 PolarHBondContact O-N 3.2Å; M281-A285 VanDerWaalsContact O-CB 3.28Å; M281-A285 WeakPolarHBondContact O-CB 3.19Å; M281-A285 PolarHBondContact O-N 2.88Å; M281-I297 HydrophobicContact CE-CB 3.74Å; M281-I297 HydrophobicContact CE-CG1 3.74Å; M281-I297 HydrophobicContact CE-CG2 3.98Å; M281-I297 HydrophobicContact CG-CG1 3.94Å; M281-I297 HydrophobicContact SD-CB 4.35Å; M281-I297 HydrophobicContact SD-CG1 3.99Å; M281-L304 HydrophobicContact CE-CD1 4.46Å; M281-L304 HydrophobicContact CE-CD2 3.53Å; M281-I327 HydrophobicContact CE-CG2 4.09Å; M281-I327 HydrophobicContact CG-CG2 3.74Å; M281-I327 WeakPolarHBondContact CG-O 3.4Å; M281-A330 HydrophobicContact CB-CB 4.32Å; M281-D334 PolarHBondContact N-OD2 3.5Å
282	L	96.9	Very high	97.3	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-66	-40.4	178.3	-174	58.3	0	0	0	111.6	R277 L278 N280 A285 R286 L294	R277-L282 HydrophobicContact CG-CD2 4.29Å; L278-L282 WeakPolarHBondContact O-CB 3.31Å; L278-L282 PolarHBondContact O-N 3.37Å; N280-L282 VanDerWaalsContact C-N 3.34Å; N280-L282 PolarHBondContact O-N 2.69Å; L282-A285 PolarHBondContact O-N 2.73Å; L282-R286 HydrophobicContact CD1-CG 4.15Å; L282-R286 HydrophobicContact CG-CG 4.3Å; L282-R286 WeakPolarHBondContact O-CB 3.38Å; L282-R286 WeakPolarHBondContact O-CG 3.24Å; L282-R286 PolarHBondContact O-N 2.83Å; L282-L294 HydrophobicContact CD1-CB 4.32Å; L282-L294 HydrophobicContact CD1-CD2 4.22Å; L282-L294 HydrophobicContact CD1-CG 4.01Å; L282-L294 WeakPolarHBondContact CD1-O 3.48Å
283	R	97.7	Very high	97.2	Very high	113 Å²	113	41 Å²	41	43%	0.426	20%	0.197	S	C	.	.	H	α-helix	trans	-61	-49.8	175.8	-178.8	-174.6	63.6	-116.6	-4.5	111.6	P279 N280 A285 R286 R287	P279-R283 WeakPolarHBondContact O-CB 3.37Å; P279-R283 PolarHBondContact O-N 3Å; P279-R283 VanDerWaalsContact O-N 3.1Å; N280-R283 PolarHBondContact O-N 2.9Å; N280-R283 VanDerWaalsContact OD1-CZ 3.22Å; N280-R283 PolarHBondContact OD1-NH1 3.3Å; N280-R283 PolarHBondContact OD1-NH2 3.04Å; R283-A285 VanDerWaalsContact C-N 3.28Å; R283-A285 PolarHBondContact O-N 3.2Å; R283-R286 PolarHBondContact O-N 2.96Å; R283-R287 PolarHBondContact O-N 3.16Å; R283-R287 VanDerWaalsContact O-N 3.14Å
284	E	98.5	Very high	97.2	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.033	19%	0.191	C	C	.	.	H	α-helix	trans	-62.5	-38.6	179.2	-64.2	-58.7	117.1	0	0	111.1	N280 M281 R287 H288 R326 I327 A330 Y342	N280-E284 WeakPolarHBondContact O-CG 3.43Å; N280-E284 PolarHBondContact O-N 2.98Å; M281-E284 PolarHBondContact O-N 3.2Å; E284-R287 IonicContact OE1-NH1 2.67Å; E284-R287 IonicContact OE1-NH2 2.72Å; E284-R287 IonicContact OE2-CZ 2.73Å; E284-R287 IonicContact OE2-NH1 2.68Å; E284-R287 IonicContact OE2-NH2 2.8Å; E284-R287 PolarHBondContact OE2-NH2 3.42Å; E284-H288 VanDerWaalsContact O-CB 3.26Å; E284-H288 WeakPolarHBondContact O-CB 3.45Å; E284-H288 PolarHBondContact O-N 3.18Å; E284-R326 IonicContact OE2-CZ 3.85Å; E284-R326 IonicContact OE2-NE 3.66Å; E284-R326 PolarHBondContact OE2-NE 3.4Å; E284-R326 IonicContact OE2-NH2 3.97Å; E284-R326 PolarHBondContact OE2-NH2 2.85Å; E284-I327 HydrophobicContact CB-CG1 4.18Å; E284-A330 HydrophobicContact CG-CB 3.9Å; E284-Y342 HydrophobicContact CG-CE1 4.13Å
285	A	98.4	Very high	97.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-70.4	-44.3	178.9	0	0	0	0	0	113.9	M281 L282 R283 R287 H288 F289 L294 I297 I327	M281-A285 VanDerWaalsContact O-CB 3.28Å; M281-A285 WeakPolarHBondContact O-CB 3.19Å; M281-A285 PolarHBondContact O-N 2.88Å; L282-A285 PolarHBondContact O-N 2.73Å; R283-A285 VanDerWaalsContact C-N 3.28Å; R283-A285 PolarHBondContact O-N 3.2Å; A285-R287 VanDerWaalsContact C-N 3.26Å; A285-R287 PolarHBondContact O-N 3.13Å; A285-H288 PolarHBondContact O-N 3.27Å; A285-H288 VanDerWaalsContact O-N 3.16Å; A285-F289 HydrophobicContact CB-CD2 4.08Å; A285-F289 HydrophobicContact CB-CE2 4.08Å; A285-F289 WeakPolarHBondContact O-CD2 3.19Å; A285-F289 PolarHBondContact O-N 2.63Å; A285-L294 HydrophobicContact CB-CD2 3.75Å; A285-I297 HydrophobicContact CB-CD1 3.11Å; A285-I297 HydrophobicContact CB-CG1 4.19Å; A285-I327 HydrophobicContact CB-CD1 3.88Å; A285-I327 HydrophobicContact CB-CG1 4.02Å; A285-I327 HydrophobicContact CB-CG2 4.13Å
286	R	98.3	Very high	97.1	Very high	70 Å²	70	39.5 Å²	39.5	26%	0.264	19%	0.191	S	C	.	.	H	α-helix	trans	-57	-43.8	175	-73.5	175.7	169.6	176.9	-8.5	110.9	L282 R283 G290 C291 N292 L294	L282-R286 HydrophobicContact CD1-CG 4.15Å; L282-R286 HydrophobicContact CG-CG 4.3Å; L282-R286 WeakPolarHBondContact O-CB 3.38Å; L282-R286 WeakPolarHBondContact O-CG 3.24Å; L282-R286 PolarHBondContact O-N 2.83Å; R283-R286 PolarHBondContact O-N 2.96Å; R286-G290 VanDerWaalsContact O-CA 3.31Å; R286-G290 WeakPolarHBondContact O-CA 3.41Å; R286-G290 PolarHBondContact O-N 2.89Å; R286-C291 VanDerWaalsContact CG-O 3.29Å; R286-C291 WeakPolarHBondContact CG-O 3.41Å; R286-C291 PolarHBondContact O-N 3.03Å; R286-C291 VanDerWaalsContact O-N 3.14Å; R286-N292 VanDerWaalsContact CZ-O 3.22Å; R286-N292 PolarHBondContact NE-O 3.16Å; R286-N292 PolarHBondContact NH2-O 3.06Å; R286-L294 HydrophobicContact CG-CB 3.99Å; R286-L294 PolarHBondContact NE-O 2.78Å; R286-L294 PolarHBondContact NH2-O 3.25Å
287	R	98.4	Very high	97.1	Very high	142 Å²	142	39.4 Å²	39.4	54%	0.536	19%	0.191	S	C	.	.	H	α-helix	trans	-64.8	-44.1	175.8	-168.7	-175.1	70.2	-159.2	-9.4	111.9	R283 E284 A285	R283-R287 PolarHBondContact O-N 3.16Å; R283-R287 VanDerWaalsContact O-N 3.14Å; E284-R287 IonicContact OE1-NH1 2.67Å; E284-R287 IonicContact OE1-NH2 2.72Å; E284-R287 IonicContact OE2-CZ 2.73Å; E284-R287 IonicContact OE2-NH1 2.68Å; E284-R287 IonicContact OE2-NH2 2.8Å; E284-R287 PolarHBondContact OE2-NH2 3.42Å; A285-R287 VanDerWaalsContact C-N 3.26Å; A285-R287 PolarHBondContact O-N 3.13Å
288	H	98.3	Very high	97.2	Very high	27 Å²	27	38.8 Å²	38.8	13%	0.125	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-53.8	-178.6	177.1	71.2	0	0	0	112.5	E284 A285 G290 I327 F348 W350 K352 G353	E284-H288 VanDerWaalsContact O-CB 3.26Å; E284-H288 WeakPolarHBondContact O-CB 3.45Å; E284-H288 PolarHBondContact O-N 3.18Å; A285-H288 PolarHBondContact O-N 3.27Å; A285-H288 VanDerWaalsContact O-N 3.16Å; H288-G290 VanDerWaalsContact C-N 3.31Å; H288-G290 PolarHBondContact O-N 3.01Å; H288-I327 HydrophobicContact CB-CD1 3.97Å; H288-F348 AromaticContact CD2-CD1 3.74Å; H288-F348 AromaticContact CD2-CE1 3.7Å; H288-F348 AromaticContact CE1-CD1 3.24Å; H288-F348 WeakPolarHBondContact CE1-CD1 3.22Å; H288-F348 AromaticContact CE1-CE1 3.84Å; H288-F348 AromaticContact CE1-CG 3.97Å; H288-F348 PolarHBondContact CE1-O 2.74Å; H288-F348 AromaticContact ND1-CD1 3.85Å; H288-F348 AromaticContact NE2-CD1 3.16Å; H288-F348 WeakPolarHBondContact NE2-CD1 3.5Å; H288-F348 AromaticContact NE2-CE1 3.24Å; H288-F348 WeakPolarHBondContact NE2-CE1 3.49Å; H288-W350 PolarHBondContact NE2-O 3.38Å; H288-K352 CarbonylContact O-C 3.51Å; H288-K352 WeakPolarHBondContact O-CA 3.46Å; H288-G353 PolarHBondContact O-N 3.28Å
289	F	98.4	Very high	97.3	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-75.1	-20.9	-179.1	-63.5	-62.7	0	0	0	112.7	A285 L294 I297 I308 M309 I327 G351 G353 L354 G355 F358 V359	A285-F289 HydrophobicContact CB-CD2 4.08Å; A285-F289 HydrophobicContact CB-CE2 4.08Å; A285-F289 WeakPolarHBondContact O-CD2 3.19Å; A285-F289 PolarHBondContact O-N 2.63Å; F289-L294 HydrophobicContact CD2-CD2 3.94Å; F289-L294 HydrophobicContact CE2-CD2 4.43Å; F289-I297 HydrophobicContact CE2-CD1 4.46Å; F289-I308 WeakPolarHBondContact CE1-O 3.34Å; F289-I308 HydrophobicContact CZ-CB 4.44Å; F289-I308 WeakPolarHBondContact CZ-O 3.43Å; F289-M309 HydrophobicContact CE2-SD 4.29Å; F289-M309 HydrophobicContact CZ-SD 3.77Å; F289-I327 HydrophobicContact CE2-CD1 3.92Å; F289-I327 HydrophobicContact CZ-CD1 4.22Å; F289-G351 WeakPolarHBondContact CD1-O 3.47Å; F289-G353 CarbonylContact O-C 3.54Å; F289-G353 WeakPolarHBondContact O-CA 3.28Å; F289-L354 PolarHBondContact O-N 3.07Å; F289-G355 WeakPolarHBondContact O-CA 3.44Å; F289-G355 PolarHBondContact O-N 2.89Å; F289-F358 HydrophobicContact CD1-CD1 4.05Å; F289-F358 HydrophobicContact CD1-CE1 4.16Å; F289-F358 HydrophobicContact CE1-CD1 4.27Å; F289-F358 AromaticContact CE1-CE1 3.93Å; F289-F358 HydrophobicContact CE1-CE1 3.93Å; F289-V359 HydrophobicContact CB-CG1 4Å; F289-V359 HydrophobicContact CD1-CG1 3.77Å; F289-V359 HydrophobicContact CD2-CG1 3.86Å; F289-V359 HydrophobicContact CE1-CG1 4.21Å; F289-V359 HydrophobicContact CE2-CG1 4.27Å; F289-V359 HydrophobicContact CG-CG1 3.6Å; F289-V359 HydrophobicContact CZ-CG1 4.44Å
290	G	98.2	Very high	97.1	Very high	49 Å²	49	41 Å²	41	51%	0.505	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	36.3	-172.8	0	0	0	0	0	112.5	R286 H288	R286-G290 VanDerWaalsContact O-CA 3.31Å; R286-G290 WeakPolarHBondContact O-CA 3.41Å; R286-G290 PolarHBondContact O-N 2.89Å; H288-G290 VanDerWaalsContact C-N 3.31Å; H288-G290 PolarHBondContact O-N 3.01Å
291	C	98.2	Very high	96.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.219	C	C	.	.			trans	-130	98.7	-179.6	178	0	0	0	0	111.2	R286 Q293 L294 C356 V359	R286-C291 VanDerWaalsContact CG-O 3.29Å; R286-C291 WeakPolarHBondContact CG-O 3.41Å; R286-C291 PolarHBondContact O-N 3.03Å; R286-C291 VanDerWaalsContact O-N 3.14Å; C291-Q293 PolarHBondContact O-N 3.44Å; C291-L294 HydrophobicContact CB-CB 4.43Å; C291-L294 WeakPolarHBondContact O-CB 3.24Å; C291-L294 PolarHBondContact O-N 2.95Å; C291-L294 PolarHBondContact SG-N 3.06Å; C291-L294 VanDerWaalsContact SG-N 3.43Å; C291-C356 WeakPolarHBondContact CA-SG 3.35Å; C291-C356 HydrophobicContact CB-CB 3.99Å; C291-C356 WeakPolarHBondContact CB-SG 3.38Å; C291-C356 WeakPolarHBondContact SG-CA 3.47Å; C291-C356 WeakPolarHBondContact SG-CB 3.27Å; C291-C356 CovalentContact SG-SG 2.04Å; C291-C356 PolarHBondContact SG-SG 3.08Å; C291-V359 HydrophobicContact CB-CG2 4.1Å
292	N	96.7	Very high	96.5	Very high	122 Å²	122	42.9 Å²	42.9	65%	0.652	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.5	-179.9	-72.2	-25.4	0	0	0	113.2	R286 L294	R286-N292 VanDerWaalsContact CZ-O 3.22Å; R286-N292 PolarHBondContact NE-O 3.16Å; R286-N292 PolarHBondContact NH2-O 3.06Å; N292-L294 VanDerWaalsContact C-N 3.26Å; N292-L294 PolarHBondContact O-N 3.02Å
293	Q	94.7	Very high	96.4	Very high	135 Å²	135	43.3 Å²	43.3	63%	0.631	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-3.3	179.1	-62.2	77	7.2	0	0	112.9	C291 E295 C356	C291-Q293 PolarHBondContact O-N 3.44Å; Q293-E295 PolarHBondContact O-N 3.46Å; Q293-C356 PolarHBondContact OE1-SG 3.47Å
294	L	96.1	Very high	96.4	Very high	8 Å²	8	38 Å²	38	4%	0.042	21%	0.205	C	C	.	.			trans	-56.4	132.8	177	-176.8	64.3	0	0	0	109.9	L282 A285 R286 F289 C291 N292 G296 I297 V359	L282-L294 HydrophobicContact CD1-CB 4.32Å; L282-L294 HydrophobicContact CD1-CD2 4.22Å; L282-L294 HydrophobicContact CD1-CG 4.01Å; L282-L294 WeakPolarHBondContact CD1-O 3.48Å; A285-L294 HydrophobicContact CB-CD2 3.75Å; R286-L294 HydrophobicContact CG-CB 3.99Å; R286-L294 PolarHBondContact NE-O 2.78Å; R286-L294 PolarHBondContact NH2-O 3.25Å; F289-L294 HydrophobicContact CD2-CD2 3.94Å; F289-L294 HydrophobicContact CE2-CD2 4.43Å; C291-L294 HydrophobicContact CB-CB 4.43Å; C291-L294 WeakPolarHBondContact O-CB 3.24Å; C291-L294 PolarHBondContact O-N 2.95Å; C291-L294 PolarHBondContact SG-N 3.06Å; C291-L294 VanDerWaalsContact SG-N 3.43Å; N292-L294 VanDerWaalsContact C-N 3.26Å; N292-L294 PolarHBondContact O-N 3.02Å; L294-G296 VanDerWaalsContact CD1-O 3.31Å; L294-G296 WeakPolarHBondContact CD1-O 3.4Å; L294-I297 HydrophobicContact CD2-CD1 3.82Å; L294-V359 HydrophobicContact CD1-CB 3.93Å; L294-V359 HydrophobicContact CD1-CG2 3.69Å
295	E	94.2	Very high	96.3	Very high	67 Å²	67	37.8 Å²	37.8	31%	0.313	20%	0.204	S	C	.	.			trans	-97.2	-23.2	-173.9	-65.5	-175	135.5	0	0	113.2	M247 V258 R277 Q293	M247-E295 HydrophobicContact CE-CB 4.07Å; M247-E295 HydrophobicContact CE-CG 4.02Å; M247-E295 WeakPolarHBondContact CE-OE1 3.17Å; M247-E295 HydrophobicContact SD-CB 3.91Å; M247-E295 HydrophobicContact SD-CG 4.08Å; V258-E295 WeakPolarHBondContact CG1-OE2 3.14Å; V258-E295 HydrophobicContact CG2-CB 4.22Å; V258-E295 WeakPolarHBondContact CG2-OE2 3.49Å; R277-E295 VanDerWaalsContact CD-O 3.29Å; R277-E295 WeakPolarHBondContact CD-O 3.13Å; R277-E295 VanDerWaalsContact CG-O 3.28Å; R277-E295 WeakPolarHBondContact CG-O 3.04Å; R277-E295 PolarHBondContact NH1-O 3.34Å; Q293-E295 PolarHBondContact O-N 3.46Å
296	G	96	Very high	96.1	Very high	4 Å²	4	37.8 Å²	37.8	4%	0.041	20%	0.204	C	C	.	.			trans	175.9	176.8	-179.3	0	0	0	0	0	110.2	L276 L294	L276-G296 WeakPolarHBondContact O-CA 3.44Å; L294-G296 VanDerWaalsContact CD1-O 3.31Å; L294-G296 WeakPolarHBondContact CD1-O 3.4Å
297	I	97.6	Very high	95.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121	175.9	-48.3	-54.7	0	0	0	108.9	V275 L276 M281 A285 F289 L294 L299 L304 I308 M309 I327	V275-I297 CarbonylContact C-O 3.56Å; V275-I297 VanDerWaalsContact CA-O 3.25Å; V275-I297 WeakPolarHBondContact CA-O 3.47Å; L276-I297 PolarHBondContact N-O 3.47Å; L276-I297 PolarHBondContact O-N 2.61Å; M281-I297 HydrophobicContact CE-CB 3.74Å; M281-I297 HydrophobicContact CE-CG1 3.74Å; M281-I297 HydrophobicContact CE-CG2 3.98Å; M281-I297 HydrophobicContact CG-CG1 3.94Å; M281-I297 HydrophobicContact SD-CB 4.35Å; M281-I297 HydrophobicContact SD-CG1 3.99Å; A285-I297 HydrophobicContact CB-CD1 3.11Å; A285-I297 HydrophobicContact CB-CG1 4.19Å; F289-I297 HydrophobicContact CE2-CD1 4.46Å; L294-I297 HydrophobicContact CD2-CD1 3.82Å; I297-L299 PolarHBondContact O-N 2.76Å; I297-L304 HydrophobicContact CG2-CD2 4.02Å; I297-I308 HydrophobicContact CG2-CD1 3.98Å; I297-M309 HydrophobicContact CG2-CG 4.1Å; I297-M309 HydrophobicContact CG2-SD 3.99Å; I297-I327 HydrophobicContact CD1-CG2 4.23Å; I297-I327 HydrophobicContact CG1-CG2 4.02Å
298	E	97.4	Very high	95.8	Very high	8 Å²	8	28 Å²	28	4%	0.037	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	130.1	179.4	-171.4	177.6	161.8	0	0	111.3	R273 Q274 S305 R307 I308	R273-E298 HydrophobicContact CB-CG 4.11Å; R273-E298 WeakPolarHBondContact CD-OE1 3.35Å; R273-E298 HydrophobicContact CG-CG 4.27Å; R273-E298 IonicContact NE-OE1 2.63Å; R273-E298 PolarHBondContact NE-OE1 3.49Å; Q274-E298 WeakPolarHBondContact O-CA 3.48Å; E298-S305 WeakPolarHBondContact O-CB 3.14Å; E298-S305 PolarHBondContact O-N 2.88Å; E298-S305 PolarHBondContact OE1-OG 2.94Å; E298-R307 IonicContact OE1-NE 3.62Å; E298-R307 IonicContact OE2-CZ 3.42Å; E298-R307 IonicContact OE2-NE 3.41Å; E298-R307 PolarHBondContact OE2-NE 2.9Å; E298-R307 IonicContact OE2-NH2 3.4Å; E298-R307 PolarHBondContact OE2-NH2 2.88Å; E298-I308 HydrophobicContact CB-CD1 3.65Å; E298-I308 HydrophobicContact CB-CG1 4.17Å
299	L	97.3	Very high	95.7	Very high	10 Å²	10	26.7 Å²	26.7	5%	0.052	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	149.4	174.4	-64.9	175.9	0	0	0	110.1	F230 F235 V255 Q274 L276 I297 H303 L304	F230-L299 HydrophobicContact CZ-CD2 4.42Å; F235-L299 HydrophobicContact CE2-CD1 3.92Å; F235-L299 HydrophobicContact CZ-CD1 4.2Å; V255-L299 HydrophobicContact CG1-CD1 4.26Å; Q274-L299 HydrophobicContact CG-CD1 4.26Å; Q274-L299 PolarHBondContact O-N 3.29Å; L276-L299 HydrophobicContact CB-CD1 4.11Å; L276-L299 HydrophobicContact CB-CD2 4.08Å; L276-L299 HydrophobicContact CB-CG 4.13Å; I297-L299 PolarHBondContact O-N 2.76Å; L299-H303 CarbonylContact C-O 3.49Å; L299-H303 VanDerWaalsContact CA-O 3.32Å; L299-H303 WeakPolarHBondContact CA-O 3Å; L299-H303 WeakPolarHBondContact CD2-O 3.28Å; L299-L304 HydrophobicContact CD2-CD2 4.15Å
300	Q	93.1	Very high	95.4	Very high	68 Å²	68	26.7 Å²	26.7	32%	0.318	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	90.6	167.5	-176.4	177.5	-6.9	0	0	108	G302 H303 P316	Q300-G302 PolarHBondContact O-N 3.3Å; Q300-H303 PolarHBondContact N-O 2.94Å; Q300-H303 PolarHBondContact O-N 2.88Å; Q300-P316 HydrophobicContact CB-CG 4.31Å; Q300-P316 HydrophobicContact CG-CG 4.14Å
301	G	89.9	Confident	95.1	Very high	59 Å²	59	25.8 Å²	25.8	61%	0.608	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.7	-122.5	-168.7	0	0	0	0	0	110.2
302	G	91.9	Very high	95	Very high	8 Å²	8	25.8 Å²	25.8	8%	0.082	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	15.5	175.8	0	0	0	0	0	115.8	I25 F230 Q300	I25-G302 VanDerWaalsContact CD1-C 3.46Å; I25-G302 WeakPolarHBondContact CD1-O 3.27Å; F230-G302 VanDerWaalsContact CE1-O 3.31Å; F230-G302 WeakPolarHBondContact CE1-O 3.36Å; Q300-G302 PolarHBondContact O-N 3.3Å
303	H	95.9	Very high	95	Very high	13 Å²	13	20 Å²	20	6%	0.06	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	170	178.6	-63.1	100.6	0	0	0	111.3	H222 H226 L299 Q300 M314 P316	H222-H303 AromaticContact CE1-CD2 3.65Å; H222-H303 AromaticContact CE1-NE2 3.8Å; H222-H303 AromaticContact NE2-CD2 3.81Å; H222-H303 AromaticContact NE2-NE2 3.53Å; H226-H303 AromaticContact CE1-CD2 3.77Å; H226-H303 AromaticContact CE1-NE2 3.69Å; H226-H303 AromaticContact NE2-CD2 3.56Å; H226-H303 AromaticContact NE2-NE2 3.18Å; H226-H303 PolarHBondContact NE2-NE2 3.02Å; H226-H303 VanDerWaalsContact NE2-NE2 3.18Å; L299-H303 CarbonylContact C-O 3.49Å; L299-H303 VanDerWaalsContact CA-O 3.32Å; L299-H303 WeakPolarHBondContact CA-O 3Å; L299-H303 WeakPolarHBondContact CD2-O 3.28Å; Q300-H303 PolarHBondContact N-O 2.94Å; Q300-H303 PolarHBondContact O-N 2.88Å; H303-M314 WeakPolarHBondContact CB-O 3.44Å; H303-P316 HydrophobicContact CB-CB 4.37Å; H303-P316 HydrophobicContact CB-CG 3.65Å
304	L	97.2	Very high	95.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	143.2	165.7	-57.6	-178.6	0	0	0	110.6	F230 M281 I297 L299 H306 M309 M314 P316 M328	F230-L304 HydrophobicContact CE2-CD2 4.21Å; F230-L304 HydrophobicContact CZ-CD2 3.63Å; F230-L304 HydrophobicContact CZ-CG 3.94Å; M281-L304 HydrophobicContact CE-CD1 4.46Å; M281-L304 HydrophobicContact CE-CD2 3.53Å; I297-L304 HydrophobicContact CG2-CD2 4.02Å; L299-L304 HydrophobicContact CD2-CD2 4.15Å; L304-H306 PolarHBondContact O-N 3Å; L304-M309 HydrophobicContact CB-CB 4.11Å; L304-M309 HydrophobicContact CB-CG 3.76Å; L304-M309 HydrophobicContact CD1-CE 4.04Å; L304-M309 HydrophobicContact CD1-CG 4.03Å; L304-M309 HydrophobicContact CG-CG 4.45Å; L304-M314 HydrophobicContact CD1-CB 4.1Å; L304-M314 HydrophobicContact CG-CB 4.07Å; L304-M314 PolarHBondContact N-O 3.26Å; L304-P316 WeakPolarHBondContact O-CD 3.34Å; L304-M328 HydrophobicContact CD1-CB 4.43Å; L304-M328 HydrophobicContact CD1-SD 3.88Å; L304-M328 HydrophobicContact CG-SD 4.47Å
305	S	96.2	Very high	95	Very high	3 Å²	3	13.4 Å²	13.4	2%	0.021	8%	0.083	C	C	.	.			trans	-66.9	126.7	-179	173	0	0	0	0	112.1	E298 R307 I308 M309	E298-S305 WeakPolarHBondContact O-CB 3.14Å; E298-S305 PolarHBondContact O-N 2.88Å; E298-S305 PolarHBondContact OE1-OG 2.94Å; S305-R307 PolarHBondContact O-N 3.22Å; S305-R307 WeakPolarHBondContact OG-CB 3.47Å; S305-R307 PolarHBondContact OG-N 3.28Å; S305-I308 PolarHBondContact O-N 3.36Å; S305-M309 VanDerWaalsContact O-CB 3.31Å; S305-M309 WeakPolarHBondContact O-CB 3.29Å; S305-M309 PolarHBondContact O-N 3.45Å
306	H	94.6	Very high	94.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-54	-34.4	171.7	-96.3	-64.8	0	0	0	112.3	L304 I308 G310 T315 T317 I434 F435	L304-H306 PolarHBondContact O-N 3Å; H306-I308 VanDerWaalsContact C-N 3.32Å; H306-I308 PolarHBondContact O-N 3.46Å; H306-G310 PolarHBondContact CE1-O 3.04Å; H306-G310 PolarHBondContact ND1-O 3.35Å; H306-G310 WeakPolarHBondContact O-CA 3.48Å; H306-G310 PolarHBondContact O-N 3.14Å; H306-T315 WeakPolarHBondContact CE1-CB 3.41Å; H306-T315 PolarHBondContact CE1-OG1 3.12Å; H306-T317 PolarHBondContact CE1-O 2.91Å; H306-T317 PolarHBondContact NE2-N 2.01Å; H306-T317 VanDerWaalsContact NE2-N 3.12Å; H306-T317 PolarHBondContact NE2-O 3.16Å; H306-T317 VanDerWaalsContact NE2-O 3.07Å; H306-I434 HydrophobicContact CB-CB 4.37Å; H306-I434 WeakPolarHBondContact CB-O 3.27Å; H306-F435 HydrophobicContact CB-CD1 4.02Å; H306-F435 HydrophobicContact CB-CE1 3.9Å; H306-F435 HydrophobicContact CB-CG 4.47Å; H306-F435 HydrophobicContact CB-CZ 4.23Å; H306-F435 AromaticContact ND1-CZ 3.81Å; H306-F435 WeakPolarHBondContact O-CD1 3.47Å; H306-F435 WeakPolarHBondContact O-CE1 3.39Å
307	R	93.8	Very high	94.4	Very high	5 Å²	5	11.2 Å²	11.2	2%	0.019	7%	0.074	C	C	.	.	H	α-helix	trans	-53	-48.3	-178.2	-172.3	-175.7	71.5	85.4	-4.1	112.6	E298 S305 F358 V359 K361 D436	E298-R307 IonicContact OE1-NE 3.62Å; E298-R307 IonicContact OE2-CZ 3.42Å; E298-R307 IonicContact OE2-NE 3.41Å; E298-R307 PolarHBondContact OE2-NE 2.9Å; E298-R307 IonicContact OE2-NH2 3.4Å; E298-R307 PolarHBondContact OE2-NH2 2.88Å; S305-R307 PolarHBondContact O-N 3.22Å; S305-R307 WeakPolarHBondContact OG-CB 3.47Å; S305-R307 PolarHBondContact OG-N 3.28Å; R307-F358 PolarHBondContact NH1-O 2.88Å; R307-V359 PolarHBondContact NH2-O 3.41Å; R307-K361 PolarHBondContact NH1-O 3.48Å; R307-D436 WeakPolarHBondContact CD-OD2 3.31Å
308	I	95.5	Very high	93.8	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-103.7	-23.6	-176.8	65.9	169.9	0	0	0	113	F289 I297 E298 S305 H306 W350 V359	F289-I308 WeakPolarHBondContact CE1-O 3.34Å; F289-I308 HydrophobicContact CZ-CB 4.44Å; F289-I308 WeakPolarHBondContact CZ-O 3.43Å; I297-I308 HydrophobicContact CG2-CD1 3.98Å; E298-I308 HydrophobicContact CB-CD1 3.65Å; E298-I308 HydrophobicContact CB-CG1 4.17Å; S305-I308 PolarHBondContact O-N 3.36Å; H306-I308 VanDerWaalsContact C-N 3.32Å; H306-I308 PolarHBondContact O-N 3.46Å; I308-W350 PolarHBondContact O-NE1 2.92Å; I308-V359 HydrophobicContact CG2-CB 4.42Å; I308-V359 HydrophobicContact CG2-CG1 4.4Å
309	M	96.3	Very high	93.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-102.7	-17	-177.6	-63.5	-52.2	-66.4	0	0	114.3	F289 I297 L304 S305 I311 D312 T315 I327 F348	F289-M309 HydrophobicContact CE2-SD 4.29Å; F289-M309 HydrophobicContact CZ-SD 3.77Å; I297-M309 HydrophobicContact CG2-CG 4.1Å; I297-M309 HydrophobicContact CG2-SD 3.99Å; L304-M309 HydrophobicContact CB-CB 4.11Å; L304-M309 HydrophobicContact CB-CG 3.76Å; L304-M309 HydrophobicContact CD1-CE 4.04Å; L304-M309 HydrophobicContact CD1-CG 4.03Å; L304-M309 HydrophobicContact CG-CG 4.45Å; S305-M309 VanDerWaalsContact O-CB 3.31Å; S305-M309 WeakPolarHBondContact O-CB 3.29Å; S305-M309 PolarHBondContact O-N 3.45Å; M309-I311 PolarHBondContact O-N 3.17Å; M309-D312 HydrophobicContact CB-CB 3.84Å; M309-D312 HydrophobicContact CE-CB 3.89Å; M309-D312 WeakPolarHBondContact CE-OD2 3.43Å; M309-D312 WeakPolarHBondContact O-CB 3.36Å; M309-D312 PolarHBondContact O-N 3.3Å; M309-T315 HydrophobicContact CB-CG2 3.9Å; M309-I327 HydrophobicContact CE-CB 4.12Å; M309-I327 HydrophobicContact CE-CD1 3.95Å; M309-I327 HydrophobicContact CE-CG2 4.2Å; M309-I327 HydrophobicContact SD-CD1 4.25Å; M309-F348 HydrophobicContact CE-CE1 3.73Å; M309-F348 HydrophobicContact CE-CZ 3.74Å; M309-F348 VanDerWaalsContact O-CE2 3.3Å; M309-F348 WeakPolarHBondContact O-CE2 3.49Å; M309-F348 VanDerWaalsContact O-CZ 3.26Å; M309-F348 WeakPolarHBondContact O-CZ 3.47Å; M309-F348 HydrophobicContact SD-CE1 4.38Å; M309-F348 HydrophobicContact SD-CZ 4.37Å
310	G	93.3	Very high	92.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	-87.8	165.8	0	0	0	0	0	116.1	H306 W350	H306-G310 PolarHBondContact CE1-O 3.04Å; H306-G310 PolarHBondContact ND1-O 3.35Å; H306-G310 WeakPolarHBondContact O-CA 3.48Å; H306-G310 PolarHBondContact O-N 3.14Å; G310-W350 VanDerWaalsContact CA-CE2 3.45Å
311	I	91.9	Very high	92	Very high	29 Å²	29	19 Å²	19	15%	0.149	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	4.1	-174.3	67.2	175.8	0	0	0	112.9	M309 F319 T323 F348 W350	M309-I311 PolarHBondContact O-N 3.17Å; I311-F319 WeakPolarHBondContact CB-O 3.09Å; I311-F319 HydrophobicContact CG2-CD1 3.89Å; I311-F319 VanDerWaalsContact CG2-O 3.25Å; I311-F319 WeakPolarHBondContact CG2-O 3.25Å; I311-T323 WeakPolarHBondContact O-CB 3.38Å; I311-T323 PolarHBondContact O-N 2.71Å; I311-F348 HydrophobicContact CG1-CD2 4.12Å; I311-F348 HydrophobicContact CG1-CE2 3.87Å; I311-W350 HydrophobicContact CD1-CB 4.47Å; I311-W350 HydrophobicContact CG1-CB 4.11Å; I311-W350 HydrophobicContact CG2-CE3 4.35Å
312	D	96	Very high	91.9	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-58.3	144.7	178	-171.2	-83.5	0	0	0	110.7	M309 M314 T315 T323 S325 F348	M309-D312 HydrophobicContact CB-CB 3.84Å; M309-D312 HydrophobicContact CE-CB 3.89Å; M309-D312 WeakPolarHBondContact CE-OD2 3.43Å; M309-D312 WeakPolarHBondContact O-CB 3.36Å; M309-D312 PolarHBondContact O-N 3.3Å; D312-M314 PolarHBondContact O-N 3.42Å; D312-M314 VanDerWaalsContact O-N 3.09Å; D312-M314 PolarHBondContact OD1-N 2.97Å; D312-T315 HydrophobicContact CB-CG2 4.26Å; D312-T315 PolarHBondContact O-N 3.09Å; D312-T315 VanDerWaalsContact O-N 3.16Å; D312-T315 PolarHBondContact O-OG1 2.97Å; D312-T323 CarbonylContact C-O 3.57Å; D312-T323 VanDerWaalsContact CA-O 3.31Å; D312-T323 WeakPolarHBondContact CA-O 3.49Å; D312-S325 WeakPolarHBondContact OD2-CB 3.36Å; D312-S325 PolarHBondContact OD2-N 3.38Å; D312-S325 PolarHBondContact OD2-OG 3.25Å; D312-F348 HydrophobicContact CB-CE2 4.12Å; D312-F348 HydrophobicContact CB-CZ 4.38Å
313	L	96	Very high	92	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-40.5	179.3	-177.5	74.2	0	0	0	111.3	W80 K221 H222 T315 Y322 T323 V324	W80-L313 HydrophobicContact CH2-CD2 4.27Å; W80-L313 HydrophobicContact CZ2-CD2 3.69Å; K221-L313 HydrophobicContact CB-CD1 4.19Å; K221-L313 HydrophobicContact CB-CD2 4.48Å; K221-L313 HydrophobicContact CD-CD1 4.44Å; K221-L313 HydrophobicContact CD-CD2 4.47Å; K221-L313 HydrophobicContact CG-CD1 4.29Å; K221-L313 HydrophobicContact CG-CD2 3.95Å; H222-L313 HydrophobicContact CB-CD1 4.04Å; H222-L313 HydrophobicContact CB-CG 4.17Å; H222-L313 PolarHBondContact ND1-O 2.79Å; L313-T315 PolarHBondContact O-N 2.88Å; L313-Y322 HydrophobicContact CD1-CD1 3.95Å; L313-Y322 HydrophobicContact CD1-CG 4.27Å; L313-T323 PolarHBondContact N-O 2.92Å; L313-V324 HydrophobicContact CB-CG2 4.19Å; L313-V324 HydrophobicContact CD2-CG2 3.88Å; L313-V324 HydrophobicContact CG-CG2 4.44Å
314	M	96.5	Very high	92	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	21.5	-172.6	-65.7	-48.1	-64.8	0	0	114.9	C225 H226 F230 H303 L304 D312 M328	C225-M314 HydrophobicContact CB-CE 4.02Å; C225-M314 HydrophobicContact CB-CG 4.32Å; C225-M314 HydrophobicContact CB-SD 3.35Å; C225-M314 WeakPolarHBondContact CB-SD 2.87Å; C225-M314 PolarHBondContact SG-SD 3.45Å; H226-M314 WeakPolarHBondContact CE1-CE 3.26Å; H226-M314 WeakPolarHBondContact NE2-CE 3.39Å; F230-M314 HydrophobicContact CB-CE 4.44Å; F230-M314 HydrophobicContact CD1-CB 4.49Å; F230-M314 HydrophobicContact CD1-CE 3.53Å; F230-M314 HydrophobicContact CD1-CG 4.38Å; F230-M314 HydrophobicContact CE1-CB 4.27Å; F230-M314 HydrophobicContact CE1-CE 4.19Å; F230-M314 HydrophobicContact CG-CE 4.28Å; H303-M314 WeakPolarHBondContact CB-O 3.44Å; L304-M314 HydrophobicContact CD1-CB 4.1Å; L304-M314 HydrophobicContact CG-CB 4.07Å; L304-M314 PolarHBondContact N-O 3.26Å; D312-M314 PolarHBondContact O-N 3.42Å; D312-M314 VanDerWaalsContact O-N 3.09Å; D312-M314 PolarHBondContact OD1-N 2.97Å; M314-M328 HydrophobicContact CB-CG 4.22Å; M314-M328 HydrophobicContact CB-SD 3.72Å; M314-M328 HydrophobicContact CG-CE 4.14Å; M314-M328 HydrophobicContact CG-CG 3.62Å; M314-M328 HydrophobicContact CG-SD 3.37Å; M314-M328 WeakPolarHBondContact CG-SD 3.39Å
315	T	95.1	Very high	92.1	Very high	5 Å²	5	17.6 Å²	17.6	3%	0.031	10%	0.101	C	C	.	.	S	Bend	trans	-76.8	150.6	163.3	58.8	0	0	0	0	111.3	H222 H306 M309 D312 L313 T317	H222-T315 PolarHBondContact CE1-O 3.38Å; H306-T315 WeakPolarHBondContact CE1-CB 3.41Å; H306-T315 PolarHBondContact CE1-OG1 3.12Å; M309-T315 HydrophobicContact CB-CG2 3.9Å; D312-T315 HydrophobicContact CB-CG2 4.26Å; D312-T315 PolarHBondContact O-N 3.09Å; D312-T315 VanDerWaalsContact O-N 3.16Å; D312-T315 PolarHBondContact O-OG1 2.97Å; L313-T315 PolarHBondContact O-N 2.88Å; T315-T317 PolarHBondContact O-N 3.5Å; T315-T317 VanDerWaalsContact O-N 3.16Å; T315-T317 PolarHBondContact OG1-O 2.91Å
316	P	89.4	Confident	92.2	Very high	9 Å²	9	22 Å²	22	6%	0.058	12%	0.117	C	C	.	.	S	Bend	trans	-58.3	-29.5	-173.4	-21.1	23.9	0	0	0	116.1	C23 Q300 H303 L304	C23-P316 PolarHBondContact N-O 3.06Å; Q300-P316 HydrophobicContact CB-CG 4.31Å; Q300-P316 HydrophobicContact CG-CG 4.14Å; H303-P316 HydrophobicContact CB-CB 4.37Å; H303-P316 HydrophobicContact CB-CG 3.65Å; L304-P316 WeakPolarHBondContact O-CD 3.34Å
317	T	87.6	Confident	92.4	Very high	15 Å²	15	22.1 Å²	22.1	9%	0.092	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-129.1	148.9	-175.9	-55.7	0	0	0	0	109.1	E20 H21 H306 T315 F319	E20-T317 HydrophobicContact CB-CG2 4.47Å; H21-T317 WeakPolarHBondContact O-CA 3.32Å; H21-T317 WeakPolarHBondContact O-CG2 3.5Å; H306-T317 PolarHBondContact CE1-O 2.91Å; H306-T317 PolarHBondContact NE2-N 2.01Å; H306-T317 VanDerWaalsContact NE2-N 3.12Å; H306-T317 PolarHBondContact NE2-O 3.16Å; H306-T317 VanDerWaalsContact NE2-O 3.07Å; T315-T317 PolarHBondContact O-N 3.5Å; T315-T317 VanDerWaalsContact O-N 3.16Å; T315-T317 PolarHBondContact OG1-O 2.91Å; T317-F319 PolarHBondContact O-N 2.97Å
318	K	85.6	Confident	92.6	Very high	76 Å²	76	21.9 Å²	21.9	33%	0.33	12%	0.117	S	C	.	.			trans	-67.1	120	172.2	-174.6	-176.5	-173.9	-88.3	0	110.3	F215 G320 Y322	F215-K318 HydrophobicContact CD2-CD 3.27Å; F215-K318 HydrophobicContact CE2-CB 4.45Å; F215-K318 HydrophobicContact CE2-CD 3.35Å; F215-K318 HydrophobicContact CG-CD 4.44Å; K318-G320 WeakPolarHBondContact CE-O 3.5Å; K318-G320 PolarHBondContact NZ-O 3.04Å; K318-Y322 HydrophobicContact CB-CE1 3.93Å; K318-Y322 HydrophobicContact CB-CE2 4.44Å; K318-Y322 HydrophobicContact CD-CD2 4.09Å; K318-Y322 HydrophobicContact CD-CE1 4.38Å; K318-Y322 HydrophobicContact CD-CE2 3.5Å; K318-Y322 VanDerWaalsContact CD-CE2 3.5Å; K318-Y322 HydrophobicContact CG-CD1 4.37Å; K318-Y322 HydrophobicContact CG-CD2 4.34Å; K318-Y322 HydrophobicContact CG-CE1 3.87Å; K318-Y322 HydrophobicContact CG-CE2 3.9Å
319	F	84.9	Confident	92.7	Very high	24 Å²	24	21.8 Å²	21.8	11%	0.105	12%	0.116	C	C	.	.			trans	-122.1	110.7	168.3	-169.5	-104.4	0	0	0	108.9	I311 T317 W350 L432 F435 V440 T442	I311-F319 WeakPolarHBondContact CB-O 3.09Å; I311-F319 HydrophobicContact CG2-CD1 3.89Å; I311-F319 VanDerWaalsContact CG2-O 3.25Å; I311-F319 WeakPolarHBondContact CG2-O 3.25Å; T317-F319 PolarHBondContact O-N 2.97Å; F319-W350 HydrophobicContact CD1-CZ3 4.49Å; F319-W350 HydrophobicContact CE1-CH2 4.25Å; F319-W350 AromaticContact CE1-CZ3 3.9Å; F319-W350 HydrophobicContact CE1-CZ3 3.9Å; F319-L432 HydrophobicContact CE2-CD1 4.43Å; F319-F435 HydrophobicContact CB-CZ 4.34Å; F319-F435 HydrophobicContact CD1-CE2 4.17Å; F319-F435 AromaticContact CD1-CZ 3.57Å; F319-F435 HydrophobicContact CD1-CZ 3.57Å; F319-F435 AromaticContact CD2-CE2 3.7Å; F319-F435 HydrophobicContact CD2-CE2 3.7Å; F319-F435 AromaticContact CD2-CZ 3.94Å; F319-F435 HydrophobicContact CD2-CZ 3.94Å; F319-F435 HydrophobicContact CE1-CE2 4.18Å; F319-F435 AromaticContact CE1-CZ 3.74Å; F319-F435 HydrophobicContact CE1-CZ 3.74Å; F319-F435 AromaticContact CE2-CE2 3.7Å; F319-F435 HydrophobicContact CE2-CE2 3.7Å; F319-F435 HydrophobicContact CE2-CZ 4.08Å; F319-F435 AromaticContact CG-CE2 3.94Å; F319-F435 HydrophobicContact CG-CE2 3.94Å; F319-F435 AromaticContact CG-CZ 3.69Å; F319-F435 HydrophobicContact CG-CZ 3.69Å; F319-F435 AromaticContact CZ-CE2 3.95Å; F319-F435 HydrophobicContact CZ-CE2 3.95Å; F319-F435 AromaticContact CZ-CZ 3.99Å; F319-F435 HydrophobicContact CZ-CZ 3.99Å; F319-V440 HydrophobicContact CE2-CG2 4.24Å; F319-V440 HydrophobicContact CZ-CB 4.46Å; F319-V440 HydrophobicContact CZ-CG2 3.79Å; F319-T442 HydrophobicContact CE2-CG2 4.42Å; F319-T442 VanDerWaalsContact CE2-OG1 3.25Å; F319-T442 WeakPolarHBondContact CE2-OG1 3.33Å; F319-T442 VanDerWaalsContact CZ-OG1 3.25Å; F319-T442 WeakPolarHBondContact CZ-OG1 3.18Å
320	G	82	Confident	92.8	Very high	37 Å²	37	21.8 Å²	21.8	38%	0.381	12%	0.116	S	C	.	.	S	Bend	trans	70.6	-140.1	-175.7	0	0	0	0	0	113.8	K318	K318-G320 WeakPolarHBondContact CE-O 3.5Å; K318-G320 PolarHBondContact NZ-O 3.04Å
321	T	83.1	Confident	93.1	Very high	112 Å²	112	21.8 Å²	21.8	69%	0.687	12%	0.116	S	C	*	.	S	Bend	trans	-88.9	133.3	179	-56.4	0	0	0	0	110.5	T323	T321-T323 PolarHBondContact O-N 2.95Å; T321-T323 PolarHBondContact O-OG1 2.68Å
322	Y	86.8	Confident	93.4	Very high	40 Å²	40	20.4 Å²	20.4	16%	0.157	11%	0.109	C	C	.	.			trans	-60.2	119.5	176	-72.8	-67.9	0	0	0	111	T219 L313 K318	T219-Y322 PolarHBondContact OG1-OH 3.19Å; L313-Y322 HydrophobicContact CD1-CD1 3.95Å; L313-Y322 HydrophobicContact CD1-CG 4.27Å; K318-Y322 HydrophobicContact CB-CE1 3.93Å; K318-Y322 HydrophobicContact CB-CE2 4.44Å; K318-Y322 HydrophobicContact CD-CD2 4.09Å; K318-Y322 HydrophobicContact CD-CE1 4.38Å; K318-Y322 HydrophobicContact CD-CE2 3.5Å; K318-Y322 VanDerWaalsContact CD-CE2 3.5Å; K318-Y322 HydrophobicContact CG-CD1 4.37Å; K318-Y322 HydrophobicContact CG-CD2 4.34Å; K318-Y322 HydrophobicContact CG-CE1 3.87Å; K318-Y322 HydrophobicContact CG-CE2 3.9Å
323	T	93.6	Very high	93.5	Very high	10 Å²	10	23.7 Å²	23.7	6%	0.061	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-122.3	115	-174.2	-55.5	0	0	0	0	110.2	I311 D312 L313 T321 S325 T346 F348	I311-T323 WeakPolarHBondContact O-CB 3.38Å; I311-T323 PolarHBondContact O-N 2.71Å; D312-T323 CarbonylContact C-O 3.57Å; D312-T323 VanDerWaalsContact CA-O 3.31Å; D312-T323 WeakPolarHBondContact CA-O 3.49Å; L313-T323 PolarHBondContact N-O 2.92Å; T321-T323 PolarHBondContact O-N 2.95Å; T321-T323 PolarHBondContact O-OG1 2.68Å; T323-S325 PolarHBondContact O-N 2.72Å; T323-T346 WeakPolarHBondContact CA-OG1 3.47Å; T323-T346 WeakPolarHBondContact CG2-OG1 3.29Å; T323-F348 HydrophobicContact CG2-CB 4.01Å; T323-F348 HydrophobicContact CG2-CD2 3.75Å; T323-F348 HydrophobicContact CG2-CG 4.35Å
324	V	97.6	Very high	93.6	Very high	2 Å²	2	25 Å²	25	1%	0.012	13%	0.13	C	C	.	.			trans	-83.2	101.9	172	-166	0	0	0	0	109.1	Y79 K221 L313 L329 T346	Y79-V324 HydrophobicContact CE1-CB 4.17Å; Y79-V324 HydrophobicContact CE1-CG1 3.97Å; Y79-V324 HydrophobicContact CE1-CG2 3.78Å; Y79-V324 HydrophobicContact CE2-CG2 4.4Å; Y79-V324 WeakPolarHBondContact OH-CB 3.36Å; Y79-V324 VanDerWaalsContact OH-CG1 3.28Å; Y79-V324 WeakPolarHBondContact OH-CG1 3.43Å; K221-V324 HydrophobicContact CD-CG2 3.95Å; L313-V324 HydrophobicContact CB-CG2 4.19Å; L313-V324 HydrophobicContact CD2-CG2 3.88Å; L313-V324 HydrophobicContact CG-CG2 4.44Å; V324-L329 HydrophobicContact CG1-CD1 4.39Å; V324-L329 HydrophobicContact CG1-CD2 3.88Å; V324-L329 HydrophobicContact CG1-CG 3.84Å; V324-T346 PolarHBondContact N-OG1 3.23Å; V324-T346 PolarHBondContact O-N 2.84Å; V324-T346 PolarHBondContact O-OG1 2.99Å
325	S	98	Very high	93.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.			trans	-76.4	156.3	179.1	74.5	0	0	0	0	112.1	D312 T323 I327 M328 L329	D312-S325 WeakPolarHBondContact OD2-CB 3.36Å; D312-S325 PolarHBondContact OD2-N 3.38Å; D312-S325 PolarHBondContact OD2-OG 3.25Å; T323-S325 PolarHBondContact O-N 2.72Å; S325-I327 PolarHBondContact O-N 3.23Å; S325-I327 WeakPolarHBondContact OG-CB 3.32Å; S325-I327 PolarHBondContact OG-N 3.25Å; S325-M328 PolarHBondContact O-N 2.97Å; S325-M328 PolarHBondContact OG-N 3.05Å; S325-L329 PolarHBondContact O-N 2.88Å
326	R	98.6	Very high	93.6	Very high	95 Å²	95	30.6 Å²	30.6	36%	0.358	16%	0.16	S	C	.	.	H	α-helix	trans	-58.9	-27.3	167.7	-67.4	-178.9	62.2	149.5	4.8	112.4	E284 A330 Y342 A345	E284-R326 IonicContact OE2-CZ 3.85Å; E284-R326 IonicContact OE2-NE 3.66Å; E284-R326 PolarHBondContact OE2-NE 3.4Å; E284-R326 IonicContact OE2-NH2 3.97Å; E284-R326 PolarHBondContact OE2-NH2 2.85Å; R326-A330 VanDerWaalsContact O-CB 3.31Å; R326-A330 WeakPolarHBondContact O-CB 3.36Å; R326-A330 PolarHBondContact O-N 2.89Å; R326-Y342 HydrophobicContact CB-CD1 3.95Å; R326-Y342 HydrophobicContact CB-CE1 4.46Å; R326-Y342 HydrophobicContact CG-CD1 4.05Å; R326-Y342 WeakPolarHBondContact O-CE1 2.96Å; R326-A345 HydrophobicContact CB-CB 4.48Å; R326-A345 HydrophobicContact CG-CB 3.42Å; R326-A345 VanDerWaalsContact CG-CB 3.42Å
327	I	98.5	Very high	93.9	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-65.9	-49.2	176.6	-58.5	167.8	0	0	0	109.1	M281 E284 A285 H288 F289 I297 M309 S325 A330 F348	M281-I327 HydrophobicContact CE-CG2 4.09Å; M281-I327 HydrophobicContact CG-CG2 3.74Å; M281-I327 WeakPolarHBondContact CG-O 3.4Å; E284-I327 HydrophobicContact CB-CG1 4.18Å; A285-I327 HydrophobicContact CB-CD1 3.88Å; A285-I327 HydrophobicContact CB-CG1 4.02Å; A285-I327 HydrophobicContact CB-CG2 4.13Å; H288-I327 HydrophobicContact CB-CD1 3.97Å; F289-I327 HydrophobicContact CE2-CD1 3.92Å; F289-I327 HydrophobicContact CZ-CD1 4.22Å; I297-I327 HydrophobicContact CD1-CG2 4.23Å; I297-I327 HydrophobicContact CG1-CG2 4.02Å; M309-I327 HydrophobicContact CE-CB 4.12Å; M309-I327 HydrophobicContact CE-CD1 3.95Å; M309-I327 HydrophobicContact CE-CG2 4.2Å; M309-I327 HydrophobicContact SD-CD1 4.25Å; S325-I327 PolarHBondContact O-N 3.23Å; S325-I327 WeakPolarHBondContact OG-CB 3.32Å; S325-I327 PolarHBondContact OG-N 3.25Å; I327-A330 WeakPolarHBondContact O-CB 3.25Å; I327-A330 PolarHBondContact O-N 3.45Å; I327-F348 HydrophobicContact CD1-CD1 4.4Å; I327-F348 HydrophobicContact CD1-CE1 4.15Å
328	M	98.2	Very high	94.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.3	-45.3	178.5	-175.2	52.8	-122.5	0	0	111.5	F230 L304 M314 S325 A330 Y331 F332	F230-M328 HydrophobicContact CB-CE 4Å; F230-M328 HydrophobicContact CD2-CE 3.21Å; F230-M328 HydrophobicContact CD2-SD 3.93Å; F230-M328 HydrophobicContact CE2-CE 3.75Å; F230-M328 HydrophobicContact CE2-SD 3.89Å; F230-M328 HydrophobicContact CG-CE 3.67Å; F230-M328 HydrophobicContact CG-SD 4.38Å; F230-M328 HydrophobicContact CZ-SD 4.31Å; L304-M328 HydrophobicContact CD1-CB 4.43Å; L304-M328 HydrophobicContact CD1-SD 3.88Å; L304-M328 HydrophobicContact CG-SD 4.47Å; M314-M328 HydrophobicContact CB-CG 4.22Å; M314-M328 HydrophobicContact CB-SD 3.72Å; M314-M328 HydrophobicContact CG-CE 4.14Å; M314-M328 HydrophobicContact CG-CG 3.62Å; M314-M328 HydrophobicContact CG-SD 3.37Å; M314-M328 WeakPolarHBondContact CG-SD 3.39Å; S325-M328 PolarHBondContact O-N 2.97Å; S325-M328 PolarHBondContact OG-N 3.05Å; M328-A330 VanDerWaalsContact C-N 3.26Å; M328-A330 PolarHBondContact O-N 2.83Å; M328-Y331 HydrophobicContact CE-CD1 3.82Å; M328-Y331 HydrophobicContact CE-CG 3.95Å; M328-Y331 WeakPolarHBondContact O-CB 3.32Å; M328-Y331 PolarHBondContact O-N 3.21Å; M328-Y331 VanDerWaalsContact O-N 3.13Å; M328-F332 HydrophobicContact CE-CE2 4.09Å
329	L	98.7	Very high	94.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58.7	-38.3	176.1	-71.5	174.8	0	0	0	112.6	W80 A83 V324 S325 Y331 F332 V340 Y342 V344 A345	W80-L329 HydrophobicContact CZ3-CD2 3.92Å; A83-L329 HydrophobicContact CB-CD2 4.13Å; V324-L329 HydrophobicContact CG1-CD1 4.39Å; V324-L329 HydrophobicContact CG1-CD2 3.88Å; V324-L329 HydrophobicContact CG1-CG 3.84Å; S325-L329 PolarHBondContact O-N 2.88Å; L329-Y331 PolarHBondContact O-N 3.12Å; L329-Y331 VanDerWaalsContact O-N 3.16Å; L329-F332 PolarHBondContact O-N 3.29Å; L329-V340 HydrophobicContact CB-CG1 3.69Å; L329-V340 HydrophobicContact CD1-CG1 4.46Å; L329-V340 HydrophobicContact CG-CG1 4.47Å; L329-V340 WeakPolarHBondContact O-CG2 3.14Å; L329-Y342 HydrophobicContact CB-CD1 4.45Å; L329-Y342 HydrophobicContact CB-CE1 4.4Å; L329-V344 HydrophobicContact CD1-CG2 4.08Å; L329-A345 HydrophobicContact CD1-CB 3.78Å
330	A	98.6	Very high	95.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.1	-24.4	179.4	0	0	0	0	0	114	N280 M281 E284 R326 I327 M328 F332 K333 D334 Y342	N280-A330 HydrophobicContact CB-CB 4.01Å; M281-A330 HydrophobicContact CB-CB 4.32Å; E284-A330 HydrophobicContact CG-CB 3.9Å; R326-A330 VanDerWaalsContact O-CB 3.31Å; R326-A330 WeakPolarHBondContact O-CB 3.36Å; R326-A330 PolarHBondContact O-N 2.89Å; I327-A330 WeakPolarHBondContact O-CB 3.25Å; I327-A330 PolarHBondContact O-N 3.45Å; M328-A330 VanDerWaalsContact C-N 3.26Å; M328-A330 PolarHBondContact O-N 2.83Å; A330-F332 VanDerWaalsContact C-N 3.31Å; A330-F332 PolarHBondContact O-N 2.65Å; A330-K333 WeakPolarHBondContact O-CB 3.42Å; A330-K333 PolarHBondContact O-N 2.89Å; A330-D334 PolarHBondContact O-N 2.99Å; A330-Y342 WeakPolarHBondContact CA-OH 3.37Å; A330-Y342 HydrophobicContact CB-CE1 3.97Å; A330-Y342 WeakPolarHBondContact CB-OH 3.41Å
331	Y	98.6	Very high	96.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-53.4	-48.5	170.6	170	-99.4	0	0	0	111.7	G229 F230 F235 L238 L276 L278 M328 L329 K333 D334 T335	G229-Y331 PolarHBondContact O-OH 3.31Å; F230-Y331 HydrophobicContact CB-CD1 4.24Å; F230-Y331 HydrophobicContact CB-CE1 3.85Å; F230-Y331 AromaticContact CD2-CD1 3.58Å; F230-Y331 HydrophobicContact CD2-CD1 3.58Å; F230-Y331 AromaticContact CD2-CD2 3.8Å; F230-Y331 HydrophobicContact CD2-CD2 3.8Å; F230-Y331 AromaticContact CD2-CE1 3.64Å; F230-Y331 HydrophobicContact CD2-CE1 3.64Å; F230-Y331 AromaticContact CD2-CE2 3.87Å; F230-Y331 HydrophobicContact CD2-CE2 3.87Å; F230-Y331 AromaticContact CD2-CG 3.65Å; F230-Y331 HydrophobicContact CD2-CG 3.65Å; F230-Y331 AromaticContact CD2-CZ 3.79Å; F230-Y331 HydrophobicContact CE2-CD1 4.48Å; F230-Y331 AromaticContact CE2-CD2 3.98Å; F230-Y331 HydrophobicContact CE2-CD2 3.98Å; F230-Y331 HydrophobicContact CE2-CE2 4.23Å; F230-Y331 HydrophobicContact CE2-CG 4.11Å; F230-Y331 HydrophobicContact CG-CD1 4.41Å; F230-Y331 HydrophobicContact CG-CE1 4.23Å; F235-Y331 HydrophobicContact CB-CE2 3.89Å; L238-Y331 HydrophobicContact CD1-CE2 4.35Å; L276-Y331 HydrophobicContact CD2-CD2 3.81Å; L276-Y331 HydrophobicContact CD2-CE2 4.01Å; L278-Y331 HydrophobicContact CD1-CD2 3.66Å; L278-Y331 HydrophobicContact CD1-CE2 4.08Å; M328-Y331 HydrophobicContact CE-CD1 3.82Å; M328-Y331 HydrophobicContact CE-CG 3.95Å; M328-Y331 WeakPolarHBondContact O-CB 3.32Å; M328-Y331 PolarHBondContact O-N 3.21Å; M328-Y331 VanDerWaalsContact O-N 3.13Å; L329-Y331 PolarHBondContact O-N 3.12Å; L329-Y331 VanDerWaalsContact O-N 3.16Å; Y331-K333 PolarHBondContact O-N 2.96Å; Y331-D334 CarbonylContact O-C 3.56Å; Y331-D334 WeakPolarHBondContact O-CA 3.29Å; Y331-D334 WeakPolarHBondContact O-CB 3.31Å; Y331-D334 PolarHBondContact O-N 3.19Å; Y331-T335 HydrophobicContact CD1-CG2 4.05Å; Y331-T335 HydrophobicContact CD2-CG2 4.41Å; Y331-T335 HydrophobicContact CE1-CG2 3.55Å; Y331-T335 HydrophobicContact CE2-CG2 3.95Å; Y331-T335 HydrophobicContact CG-CG2 4.47Å; Y331-T335 VanDerWaalsContact CZ-CG2 3.5Å; Y331-T335 WeakPolarHBondContact O-CG2 2.95Å; Y331-T335 PolarHBondContact O-N 3.46Å
332	F	98.5	Very high	97	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.6	-27.3	-178	-72.6	-69	0	0	0	112.9	W80 L84 L228 M328 L329 A330 T335 Y338 V340	W80-F332 HydrophobicContact CE3-CE2 4.3Å; W80-F332 AromaticContact CH2-CE2 3.7Å; W80-F332 HydrophobicContact CH2-CE2 3.7Å; W80-F332 HydrophobicContact CH2-CZ 4.39Å; W80-F332 AromaticContact CZ3-CD2 3.98Å; W80-F332 HydrophobicContact CZ3-CD2 3.98Å; W80-F332 AromaticContact CZ3-CE2 3.4Å; W80-F332 HydrophobicContact CZ3-CE2 3.4Å; W80-F332 VanDerWaalsContact CZ3-CE2 3.4Å; W80-F332 HydrophobicContact CZ3-CZ 4.18Å; L84-F332 HydrophobicContact CD1-CD1 4.37Å; L84-F332 HydrophobicContact CD1-CG 4.38Å; L84-F332 HydrophobicContact CD2-CB 3.73Å; L84-F332 HydrophobicContact CD2-CD2 4.03Å; L84-F332 HydrophobicContact CD2-CG 3.88Å; L228-F332 HydrophobicContact CB-CE1 3.74Å; L228-F332 HydrophobicContact CB-CZ 3.97Å; M328-F332 HydrophobicContact CE-CE2 4.09Å; L329-F332 PolarHBondContact O-N 3.29Å; A330-F332 VanDerWaalsContact C-N 3.31Å; A330-F332 PolarHBondContact O-N 2.65Å; F332-T335 PolarHBondContact O-OG1 3.36Å; F332-Y338 HydrophobicContact CB-CD2 3.99Å; F332-Y338 AromaticContact CD1-CD2 3.59Å; F332-Y338 HydrophobicContact CD1-CD2 3.59Å; F332-Y338 AromaticContact CD1-CE2 3.74Å; F332-Y338 HydrophobicContact CD1-CE2 3.74Å; F332-Y338 HydrophobicContact CE1-CD2 4.49Å; F332-Y338 HydrophobicContact CE1-CE2 4.23Å; F332-Y338 HydrophobicContact CG-CD2 4.18Å; F332-Y338 PolarHBondContact O-N 3.44Å; F332-Y338 VanDerWaalsContact O-O 3.1Å; F332-V340 HydrophobicContact CB-CG2 3.97Å
333	K	97.6	Very high	97.6	Very high	71 Å²	71	28.8 Å²	28.8	31%	0.309	15%	0.148	S	C	.	.	H	α-helix	trans	-71.6	-39.8	171	-170	167.7	-175.4	129.3	0	111.9	A330 Y331 N336 Y338 D339 V340 Y342	A330-K333 WeakPolarHBondContact O-CB 3.42Å; A330-K333 PolarHBondContact O-N 2.89Å; Y331-K333 PolarHBondContact O-N 2.96Å; K333-N336 PolarHBondContact O-N 2.84Å; K333-Y338 WeakPolarHBondContact CA-O 3.12Å; K333-D339 WeakPolarHBondContact CE-OD1 3.38Å; K333-D339 IonicContact NZ-OD1 3.89Å; K333-D339 PolarHBondContact NZ-OD1 2.73Å; K333-V340 HydrophobicContact CB-CB 4.43Å; K333-V340 HydrophobicContact CB-CG2 3.87Å; K333-Y342 HydrophobicContact CD-CE2 4.29Å
334	D	97.6	Very high	97.7	Very high	26 Å²	26	30 Å²	30	14%	0.139	16%	0.155	C	C	.	.	H	α-helix	trans	-72.4	-24.5	179.3	-76.5	-43.3	0	0	0	113.6	L278 P279 N280 M281 A330 Y331 N336	L278-D334 HydrophobicContact CB-CB 3.71Å; L278-D334 VanDerWaalsContact CB-CG 3.5Å; L278-D334 WeakPolarHBondContact CB-OD2 3.48Å; L278-D334 HydrophobicContact CD1-CB 3.85Å; L278-D334 HydrophobicContact CD2-CB 4.14Å; L278-D334 HydrophobicContact CG-CB 4.12Å; P279-D334 WeakPolarHBondContact CD-OD1 3.47Å; N280-D334 WeakPolarHBondContact CA-OD2 3.43Å; N280-D334 WeakPolarHBondContact CB-OD1 3.36Å; N280-D334 WeakPolarHBondContact CB-OD2 3.34Å; N280-D334 PolarHBondContact N-OD1 3.34Å; N280-D334 PolarHBondContact N-OD2 3.5Å; N280-D334 PolarHBondContact ND2-OD1 3.21Å; M281-D334 PolarHBondContact N-OD2 3.5Å; A330-D334 PolarHBondContact O-N 2.99Å; Y331-D334 CarbonylContact O-C 3.56Å; Y331-D334 WeakPolarHBondContact O-CA 3.29Å; Y331-D334 WeakPolarHBondContact O-CB 3.31Å; Y331-D334 PolarHBondContact O-N 3.19Å; D334-N336 PolarHBondContact O-N 3.05Å
335	T	96.6	Very high	97.7	Very high	7 Å²	7	31 Å²	31	4%	0.043	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-15.3	172.5	63.1	0	0	0	0	113.1	L238 Y331 F332 F337	L238-T335 HydrophobicContact CD1-CG2 4.37Å; L238-T335 HydrophobicContact CD2-CG2 4.17Å; Y331-T335 HydrophobicContact CD1-CG2 4.05Å; Y331-T335 HydrophobicContact CD2-CG2 4.41Å; Y331-T335 HydrophobicContact CE1-CG2 3.55Å; Y331-T335 HydrophobicContact CE2-CG2 3.95Å; Y331-T335 HydrophobicContact CG-CG2 4.47Å; Y331-T335 VanDerWaalsContact CZ-CG2 3.5Å; Y331-T335 WeakPolarHBondContact O-CG2 2.95Å; Y331-T335 PolarHBondContact O-N 3.46Å; F332-T335 PolarHBondContact O-OG1 3.36Å; T335-F337 HydrophobicContact CG2-CD2 4.27Å; T335-F337 HydrophobicContact CG2-CE2 4.38Å; T335-F337 WeakPolarHBondContact O-CD1 3.46Å; T335-F337 PolarHBondContact O-N 3.49Å; T335-F337 WeakPolarHBondContact OG1-CB 3.5Å; T335-F337 WeakPolarHBondContact OG1-CD2 3.4Å; T335-F337 WeakPolarHBondContact OG1-CG 3.33Å; T335-F337 PolarHBondContact OG1-N 3.25Å
336	N	95.1	Very high	97.6	Very high	116 Å²	116	33.8 Å²	33.8	62%	0.62	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	17.9	-171.7	-163.2	28.1	0	0	0	113.6	K333 D334	K333-N336 PolarHBondContact O-N 2.84Å; D334-N336 PolarHBondContact O-N 3.05Å
337	F	95.9	Very high	97.3	Very high	26 Å²	26	35.2 Å²	35.2	11%	0.114	19%	0.191	C	C	.	.	S	Bend	trans	-86.2	-33.4	172.6	-62.6	-15.9	0	0	0	111.7	T191 R193 I234 T335	T191-F337 WeakPolarHBondContact O-CE1 3.42Å; R193-F337 HydrophobicContact CB-CB 4.1Å; R193-F337 HydrophobicContact CB-CD1 4.04Å; R193-F337 HydrophobicContact CB-CD2 4.5Å; R193-F337 HydrophobicContact CB-CG 3.96Å; R193-F337 HydrophobicContact CG-CB 3.89Å; R193-F337 HydrophobicContact CG-CG 4.15Å; I234-F337 HydrophobicContact CD1-CE2 4.44Å; I234-F337 HydrophobicContact CG2-CE2 3.89Å; I234-F337 HydrophobicContact CG2-CZ 4.22Å; T335-F337 HydrophobicContact CG2-CD2 4.27Å; T335-F337 HydrophobicContact CG2-CE2 4.38Å; T335-F337 WeakPolarHBondContact O-CD1 3.46Å; T335-F337 PolarHBondContact O-N 3.49Å; T335-F337 WeakPolarHBondContact OG1-CB 3.5Å; T335-F337 WeakPolarHBondContact OG1-CD2 3.4Å; T335-F337 WeakPolarHBondContact OG1-CG 3.33Å; T335-F337 PolarHBondContact OG1-N 3.25Å
338	Y	97.8	Very high	97.1	Very high	8 Å²	8	35.6 Å²	35.6	3%	0.031	19%	0.193	C	C	.	.			trans	-136.9	148.5	-174.2	-49.7	-83.9	0	0	0	109.9	L50 L84 I85 I86 R193 F332 K333	L50-Y338 HydrophobicContact CD1-CE1 4.32Å; L50-Y338 HydrophobicContact CD2-CE1 4.44Å; L84-Y338 HydrophobicContact CB-CD1 3.82Å; L84-Y338 HydrophobicContact CB-CE1 4.46Å; L84-Y338 HydrophobicContact CB-CG 4.16Å; L84-Y338 HydrophobicContact CD1-CD1 4.05Å; L84-Y338 HydrophobicContact CD1-CD2 4.28Å; L84-Y338 HydrophobicContact CD1-CE1 4.15Å; L84-Y338 HydrophobicContact CD1-CE2 4.4Å; L84-Y338 HydrophobicContact CD1-CG 4.12Å; L84-Y338 HydrophobicContact CD2-CG 4.23Å; L84-Y338 HydrophobicContact CG-CD1 4.4Å; L84-Y338 HydrophobicContact CG-CG 4.4Å; I85-Y338 CarbonylContact O-C 3.5Å; I85-Y338 WeakPolarHBondContact O-CA 3.29Å; I86-Y338 HydrophobicContact CD1-CD1 4.35Å; I86-Y338 HydrophobicContact CD1-CE1 4.13Å; I86-Y338 HydrophobicContact CG1-CD1 3.8Å; I86-Y338 HydrophobicContact CG1-CE1 4.06Å; R193-Y338 HydrophobicContact CG-CE1 4.33Å; R193-Y338 HydrophobicContact CG-CE2 4.37Å; F332-Y338 HydrophobicContact CB-CD2 3.99Å; F332-Y338 AromaticContact CD1-CD2 3.59Å; F332-Y338 HydrophobicContact CD1-CD2 3.59Å; F332-Y338 AromaticContact CD1-CE2 3.74Å; F332-Y338 HydrophobicContact CD1-CE2 3.74Å; F332-Y338 HydrophobicContact CE1-CD2 4.49Å; F332-Y338 HydrophobicContact CE1-CE2 4.23Å; F332-Y338 HydrophobicContact CG-CD2 4.18Å; F332-Y338 PolarHBondContact O-N 3.44Å; F332-Y338 VanDerWaalsContact O-O 3.1Å; K333-Y338 WeakPolarHBondContact CA-O 3.12Å
339	D	97.5	Very high	96.8	Very high	48 Å²	48	38.9 Å²	38.9	26%	0.257	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	164.7	148.8	-163	17.7	0	0	0	109.2	R47 I85 K333	R47-D339 IonicContact CZ-OD2 3.57Å; R47-D339 IonicContact NH1-OD2 2.82Å; R47-D339 IonicContact NH2-OD2 3.37Å; R47-D339 PolarHBondContact NH2-OD2 3.46Å; I85-D339 HydrophobicContact CB-CB 4.34Å; I85-D339 PolarHBondContact N-O 2.53Å; I85-D339 PolarHBondContact O-N 2.76Å; K333-D339 WeakPolarHBondContact CE-OD1 3.38Å; K333-D339 IonicContact NZ-OD1 3.89Å; K333-D339 PolarHBondContact NZ-OD1 2.73Å
340	V	98.1	Very high	96.6	Very high	8 Å²	8	39.9 Å²	39.9	5%	0.048	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	127.1	-165.1	170.7	0	0	0	0	110.6	A83 L84 L329 F332 K333 Y342	A83-V340 WeakPolarHBondContact O-CA 3.21Å; L84-V340 HydrophobicContact CD2-CG2 4.08Å; L329-V340 HydrophobicContact CB-CG1 3.69Å; L329-V340 HydrophobicContact CD1-CG1 4.46Å; L329-V340 HydrophobicContact CG-CG1 4.47Å; L329-V340 WeakPolarHBondContact O-CG2 3.14Å; F332-V340 HydrophobicContact CB-CG2 3.97Å; K333-V340 HydrophobicContact CB-CB 4.43Å; K333-V340 HydrophobicContact CB-CG2 3.87Å; V340-Y342 HydrophobicContact CB-CE2 4.11Å; V340-Y342 HydrophobicContact CG1-CD1 4.12Å; V340-Y342 HydrophobicContact CG1-CD2 4.08Å; V340-Y342 HydrophobicContact CG1-CE1 4.02Å; V340-Y342 HydrophobicContact CG1-CE2 3.95Å; V340-Y342 HydrophobicContact CG1-CG 4.17Å; V340-Y342 PolarHBondContact O-N 3.02Å
341	D	97.9	Very high	96.4	Very high	57 Å²	57	40 Å²	40	31%	0.305	21%	0.212	S	C	.	.			trans	-84	105.6	163.7	-173.6	-3.3	0	0	0	109.9	A83 S343 V344	A83-D341 PolarHBondContact O-N 3.31Å; D341-S343 PolarHBondContact O-N 2.81Å; D341-S343 WeakPolarHBondContact OD1-CB 3.35Å; D341-S343 PolarHBondContact OD1-N 2.7Å; D341-S343 PolarHBondContact OD1-OG 3.2Å; D341-S343 PolarHBondContact OD2-OG 2.96Å; D341-V344 WeakPolarHBondContact O-CG2 2.98Å
342	Y	98.1	Very high	96.3	Very high	34 Å²	34	45.4 Å²	45.4	13%	0.133	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-74.5	-10.1	178.7	-68.1	-85.9	0	0	0	113.6	E284 R326 L329 A330 K333 V340 V344 A345	E284-Y342 HydrophobicContact CG-CE1 4.13Å; R326-Y342 HydrophobicContact CB-CD1 3.95Å; R326-Y342 HydrophobicContact CB-CE1 4.46Å; R326-Y342 HydrophobicContact CG-CD1 4.05Å; R326-Y342 WeakPolarHBondContact O-CE1 2.96Å; L329-Y342 HydrophobicContact CB-CD1 4.45Å; L329-Y342 HydrophobicContact CB-CE1 4.4Å; A330-Y342 WeakPolarHBondContact CA-OH 3.37Å; A330-Y342 HydrophobicContact CB-CE1 3.97Å; A330-Y342 WeakPolarHBondContact CB-OH 3.41Å; K333-Y342 HydrophobicContact CD-CE2 4.29Å; V340-Y342 HydrophobicContact CB-CE2 4.11Å; V340-Y342 HydrophobicContact CG1-CD1 4.12Å; V340-Y342 HydrophobicContact CG1-CD2 4.08Å; V340-Y342 HydrophobicContact CG1-CE1 4.02Å; V340-Y342 HydrophobicContact CG1-CE2 3.95Å; V340-Y342 HydrophobicContact CG1-CG 4.17Å; V340-Y342 PolarHBondContact O-N 3.02Å; Y342-V344 VanDerWaalsContact C-N 3.26Å; Y342-V344 PolarHBondContact O-N 3.4Å; Y342-A345 VanDerWaalsContact O-CB 3.24Å; Y342-A345 WeakPolarHBondContact O-CB 3.45Å; Y342-A345 PolarHBondContact O-N 2.9Å
343	S	97.9	Very high	96.2	Very high	95 Å²	95	48 Å²	48	66%	0.664	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-69.3	-25	-179.3	76.8	0	0	0	0	112.7	D341 A345	D341-S343 PolarHBondContact O-N 2.81Å; D341-S343 WeakPolarHBondContact OD1-CB 3.35Å; D341-S343 PolarHBondContact OD1-N 2.7Å; D341-S343 PolarHBondContact OD1-OG 3.2Å; D341-S343 PolarHBondContact OD2-OG 2.96Å; S343-A345 PolarHBondContact O-N 3.01Å
344	V	97.3	Very high	96.2	Very high	35 Å²	35	46.1 Å²	46.1	21%	0.212	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-78.7	-4.7	175.8	-54.5	0	0	0	0	113.5	Y79 N82 A83 L329 D341 Y342 T346	Y79-V344 HydrophobicContact CE2-CB 4.24Å; Y79-V344 HydrophobicContact CE2-CG2 4.38Å; Y79-V344 VanDerWaalsContact CE2-O 3.29Å; Y79-V344 WeakPolarHBondContact CE2-O 3.39Å; Y79-V344 PolarHBondContact OH-O 3.24Å; N82-V344 HydrophobicContact CB-CG1 4.19Å; A83-V344 HydrophobicContact CB-CG2 3.51Å; L329-V344 HydrophobicContact CD1-CG2 4.08Å; D341-V344 WeakPolarHBondContact O-CG2 2.98Å; Y342-V344 VanDerWaalsContact C-N 3.26Å; Y342-V344 PolarHBondContact O-N 3.4Å; V344-T346 PolarHBondContact O-N 3.32Å
345	A	97.8	Very high	96.2	Very high	22 Å²	22	45.7 Å²	45.7	18%	0.182	26%	0.258	C	S	.	.			trans	-65.5	134	178.4	0	0	0	0	0	110.1	R326 L329 Y342 S343	R326-A345 HydrophobicContact CB-CB 4.48Å; R326-A345 HydrophobicContact CG-CB 3.42Å; R326-A345 VanDerWaalsContact CG-CB 3.42Å; L329-A345 HydrophobicContact CD1-CB 3.78Å; Y342-A345 VanDerWaalsContact O-CB 3.24Å; Y342-A345 WeakPolarHBondContact O-CB 3.45Å; Y342-A345 PolarHBondContact O-N 2.9Å; S343-A345 PolarHBondContact O-N 3.01Å
346	T	94.7	Very high	96.3	Very high	59 Å²	59	47 Å²	47	36%	0.362	27%	0.266	S	S	.	.			trans	-70.4	152.3	170.6	48.8	0	0	0	0	110.3	T323 V324 V344 F348	T323-T346 WeakPolarHBondContact CA-OG1 3.47Å; T323-T346 WeakPolarHBondContact CG2-OG1 3.29Å; V324-T346 PolarHBondContact N-OG1 3.23Å; V324-T346 PolarHBondContact O-N 2.84Å; V324-T346 PolarHBondContact O-OG1 2.99Å; V344-T346 PolarHBondContact O-N 3.32Å; T346-F348 PolarHBondContact O-N 2.65Å
347	E	92.9	Very high	96.4	Very high	125 Å²	125	43 Å²	43	58%	0.584	25%	0.245	S	C	*	.			trans	-63.3	103.5	174.6	-169.5	-172.6	-170.3	0	0	110.4	K349 K352	E347-K349 HydrophobicContact CG-CG 4.24Å; E347-K349 WeakPolarHBondContact OE2-CE 3.25Å; E347-K349 IonicContact OE2-NZ 3.16Å; E347-K352 IonicContact OE1-NZ 3.8Å
348	F	94.3	Very high	96.5	Very high	11 Å²	11	41.9 Å²	41.9	5%	0.048	24%	0.24	C	C	.	.			trans	-85.4	118.4	176.1	-174	-128.1	0	0	0	109.5	H288 M309 I311 D312 T323 I327 T346 W350	H288-F348 AromaticContact CD2-CD1 3.74Å; H288-F348 AromaticContact CD2-CE1 3.7Å; H288-F348 AromaticContact CE1-CD1 3.24Å; H288-F348 WeakPolarHBondContact CE1-CD1 3.22Å; H288-F348 AromaticContact CE1-CE1 3.84Å; H288-F348 AromaticContact CE1-CG 3.97Å; H288-F348 PolarHBondContact CE1-O 2.74Å; H288-F348 AromaticContact ND1-CD1 3.85Å; H288-F348 AromaticContact NE2-CD1 3.16Å; H288-F348 WeakPolarHBondContact NE2-CD1 3.5Å; H288-F348 AromaticContact NE2-CE1 3.24Å; H288-F348 WeakPolarHBondContact NE2-CE1 3.49Å; M309-F348 HydrophobicContact CE-CE1 3.73Å; M309-F348 HydrophobicContact CE-CZ 3.74Å; M309-F348 VanDerWaalsContact O-CE2 3.3Å; M309-F348 WeakPolarHBondContact O-CE2 3.49Å; M309-F348 VanDerWaalsContact O-CZ 3.26Å; M309-F348 WeakPolarHBondContact O-CZ 3.47Å; M309-F348 HydrophobicContact SD-CE1 4.38Å; M309-F348 HydrophobicContact SD-CZ 4.37Å; I311-F348 HydrophobicContact CG1-CD2 4.12Å; I311-F348 HydrophobicContact CG1-CE2 3.87Å; D312-F348 HydrophobicContact CB-CE2 4.12Å; D312-F348 HydrophobicContact CB-CZ 4.38Å; T323-F348 HydrophobicContact CG2-CB 4.01Å; T323-F348 HydrophobicContact CG2-CD2 3.75Å; T323-F348 HydrophobicContact CG2-CG 4.35Å; I327-F348 HydrophobicContact CD1-CD1 4.4Å; I327-F348 HydrophobicContact CD1-CE1 4.15Å; T346-F348 PolarHBondContact O-N 2.65Å; F348-W350 HydrophobicContact CD2-CB 4.49Å; F348-W350 HydrophobicContact CE2-CB 3.77Å; F348-W350 HydrophobicContact CZ-CB 3.92Å
349	K	91.9	Very high	96.4	Very high	68 Å²	68	41.8 Å²	41.8	30%	0.296	24%	0.24	S	C	.	.			trans	-107	-25.9	-176.9	-66.5	-178.6	-179.4	173.2	0	113.7	E347 G351 K352 S392 E393	E347-K349 HydrophobicContact CG-CG 4.24Å; E347-K349 WeakPolarHBondContact OE2-CE 3.25Å; E347-K349 IonicContact OE2-NZ 3.16Å; K349-G351 PolarHBondContact O-N 2.89Å; K349-K352 VanDerWaalsContact O-CB 3.28Å; K349-K352 WeakPolarHBondContact O-CB 3.29Å; K349-K352 PolarHBondContact O-N 2.03Å; K349-K352 VanDerWaalsContact O-N 3.12Å; K349-S392 PolarHBondContact NZ-O 2.99Å; K349-S392 VanDerWaalsContact NZ-O 3.09Å; K349-E393 HydrophobicContact CD-CG 4.48Å
350	W	93.3	Very high	96.4	Very high	22 Å²	22	41.6 Å²	41.6	8%	0.083	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	125.8	-178.1	-176.4	-87.3	0	0	0	111.3	H288 I308 G310 I311 F319 F348 K352 F358 P379 F435 V440	H288-W350 PolarHBondContact NE2-O 3.38Å; I308-W350 PolarHBondContact O-NE1 2.92Å; G310-W350 VanDerWaalsContact CA-CE2 3.45Å; I311-W350 HydrophobicContact CD1-CB 4.47Å; I311-W350 HydrophobicContact CG1-CB 4.11Å; I311-W350 HydrophobicContact CG2-CE3 4.35Å; F319-W350 HydrophobicContact CD1-CZ3 4.49Å; F319-W350 HydrophobicContact CE1-CH2 4.25Å; F319-W350 AromaticContact CE1-CZ3 3.9Å; F319-W350 HydrophobicContact CE1-CZ3 3.9Å; F348-W350 HydrophobicContact CD2-CB 4.49Å; F348-W350 HydrophobicContact CE2-CB 3.77Å; F348-W350 HydrophobicContact CZ-CB 3.92Å; W350-K352 PolarHBondContact O-N 3.37Å; W350-K352 VanDerWaalsContact O-N 3.15Å; W350-F358 AromaticContact NE1-CZ 3.6Å; W350-P379 HydrophobicContact CD2-CB 4.32Å; W350-P379 HydrophobicContact CD2-CG 4.08Å; W350-P379 HydrophobicContact CE3-CB 3.78Å; W350-P379 HydrophobicContact CE3-CG 4.06Å; W350-P379 HydrophobicContact CH2-CB 3.54Å; W350-P379 HydrophobicContact CH2-CG 3.6Å; W350-P379 HydrophobicContact CZ2-CB 4.08Å; W350-P379 HydrophobicContact CZ2-CG 3.6Å; W350-P379 HydrophobicContact CZ3-CB 3.36Å; W350-P379 HydrophobicContact CZ3-CG 3.83Å; W350-F435 HydrophobicContact CH2-CD1 4.39Å; W350-F435 AromaticContact CH2-CE1 3.7Å; W350-F435 HydrophobicContact CH2-CE1 3.7Å; W350-F435 HydrophobicContact CH2-CZ 4.22Å; W350-F435 HydrophobicContact CZ2-CD1 4.15Å; W350-F435 AromaticContact CZ2-CE1 3.59Å; W350-F435 HydrophobicContact CZ2-CE1 3.59Å; W350-V440 HydrophobicContact CH2-CB 4.35Å; W350-V440 HydrophobicContact CH2-CG1 3.96Å
351	G	95.5	Very high	96.4	Very high	3 Å²	3	42.4 Å²	42.4	3%	0.031	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	-3.6	180	0	0	0	0	0	116.1	F289 K349 G353 L354 F358	F289-G351 WeakPolarHBondContact CD1-O 3.47Å; K349-G351 PolarHBondContact O-N 2.89Å; G351-G353 PolarHBondContact O-N 2.96Å; G351-L354 PolarHBondContact O-N 2.73Å; G351-L354 VanDerWaalsContact O-N 3.11Å; G351-F358 VanDerWaalsContact CA-CE1 3.45Å
352	K	96	Very high	96.3	Very high	113 Å²	113	39.7 Å²	39.7	49%	0.491	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	122	-172.7	-169.9	173.9	177.1	178.8	0	111.2	H288 E347 K349 W350 L354	H288-K352 CarbonylContact O-C 3.51Å; H288-K352 WeakPolarHBondContact O-CA 3.46Å; E347-K352 IonicContact OE1-NZ 3.8Å; K349-K352 VanDerWaalsContact O-CB 3.28Å; K349-K352 WeakPolarHBondContact O-CB 3.29Å; K349-K352 PolarHBondContact O-N 2.03Å; K349-K352 VanDerWaalsContact O-N 3.12Å; W350-K352 PolarHBondContact O-N 3.37Å; W350-K352 VanDerWaalsContact O-N 3.15Å; K352-L354 PolarHBondContact O-N 3.03Å
353	G	96.8	Very high	96.3	Very high	55 Å²	55	38.2 Å²	38.2	57%	0.567	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	14.3	178.9	0	0	0	0	0	115.6	H288 F289 G351 G355	H288-G353 PolarHBondContact O-N 3.28Å; F289-G353 CarbonylContact O-C 3.54Å; F289-G353 WeakPolarHBondContact O-CA 3.28Å; G351-G353 PolarHBondContact O-N 2.96Å; G353-G355 PolarHBondContact O-N 2.84Å
354	L	96.9	Very high	96.2	Very high	31 Å²	31	35.1 Å²	35.1	16%	0.162	20%	0.198	C	C	.	.			trans	-79.2	-5.3	-179	-60.8	-173.7	0	0	0	114.1	F289 G351 K352 F358 F366 R370	F289-L354 PolarHBondContact O-N 3.07Å; G351-L354 PolarHBondContact O-N 2.73Å; G351-L354 VanDerWaalsContact O-N 3.11Å; K352-L354 PolarHBondContact O-N 3.03Å; L354-F358 HydrophobicContact CB-CB 3.55Å; L354-F358 HydrophobicContact CB-CD1 4.31Å; L354-F358 HydrophobicContact CB-CD2 4.23Å; L354-F358 HydrophobicContact CB-CG 3.78Å; L354-F358 HydrophobicContact CD1-CB 4.49Å; L354-F358 HydrophobicContact CD1-CD1 4.45Å; L354-F358 HydrophobicContact CD1-CD2 3.59Å; L354-F358 HydrophobicContact CD1-CE2 3.85Å; L354-F358 HydrophobicContact CD1-CG 3.92Å; L354-F358 HydrophobicContact CD1-CZ 4.41Å; L354-F358 HydrophobicContact CG-CG 4.48Å; L354-F366 HydrophobicContact CB-CE2 4.32Å; L354-F366 HydrophobicContact CB-CZ 4.46Å; L354-F366 HydrophobicContact CD1-CZ 4.13Å; L354-R370 VanDerWaalsContact CA-NH2 3.35Å; L354-R370 PolarHBondContact O-NH2 2.82Å
355	G	97.8	Very high	96.2	Very high	17 Å²	17	34.1 Å²	34.1	18%	0.175	19%	0.191	C	C	.	.			trans	73.7	-173.3	172.4	0	0	0	0	0	113.9	F289 G353 D357 F358	F289-G355 WeakPolarHBondContact O-CA 3.44Å; F289-G355 PolarHBondContact O-N 2.89Å; G353-G355 PolarHBondContact O-N 2.84Å; G355-D357 VanDerWaalsContact C-N 3.28Å; G355-D357 PolarHBondContact O-N 2.8Å; G355-F358 PolarHBondContact O-N 2.85Å
356	C	98	Very high	96.2	Very high	33 Å²	33	33.1 Å²	33.1	22%	0.223	18%	0.182	C	C	.	.	H	α-helix	trans	-66.1	-29.6	-173.8	-63.2	0	0	0	0	113.9	C291 Q293 F358 V359 T360	C291-C356 WeakPolarHBondContact CA-SG 3.35Å; C291-C356 HydrophobicContact CB-CB 3.99Å; C291-C356 WeakPolarHBondContact CB-SG 3.38Å; C291-C356 WeakPolarHBondContact SG-CA 3.47Å; C291-C356 WeakPolarHBondContact SG-CB 3.27Å; C291-C356 CovalentContact SG-SG 2.04Å; C291-C356 PolarHBondContact SG-SG 3.08Å; Q293-C356 PolarHBondContact OE1-SG 3.47Å; C356-F358 PolarHBondContact O-N 2.7Å; C356-V359 PolarHBondContact O-N 2.96Å; C356-T360 WeakPolarHBondContact O-CB 3.34Å; C356-T360 PolarHBondContact O-N 2.89Å; C356-T360 PolarHBondContact O-OG1 3.22Å
357	D	97.4	Very high	96.2	Very high	34 Å²	34	30.8 Å²	30.8	18%	0.182	17%	0.168	C	C	.	.	H	α-helix	trans	-58.3	-34	176.8	-76.4	-22.6	0	0	0	111.6	G355 K361 F366 K369 R373	G355-D357 VanDerWaalsContact C-N 3.28Å; G355-D357 PolarHBondContact O-N 2.8Å; D357-K361 HydrophobicContact CB-CD 4Å; D357-K361 VanDerWaalsContact O-CB 3.24Å; D357-K361 WeakPolarHBondContact O-CB 3.49Å; D357-K361 PolarHBondContact O-N 3.39Å; D357-K361 WeakPolarHBondContact OD1-CD 3.46Å; D357-K361 WeakPolarHBondContact OD1-CE 3.34Å; D357-F366 HydrophobicContact CB-CD2 4.07Å; D357-K369 IonicContact OD1-NZ 2.72Å; D357-K369 PolarHBondContact OD1-NZ 3.19Å; D357-K369 VanDerWaalsContact OD2-CD 3.29Å; D357-K369 WeakPolarHBondContact OD2-CD 3.35Å; D357-K369 IonicContact OD2-NZ 2.69Å; D357-K369 PolarHBondContact OD2-NZ 3.48Å; D357-R373 IonicContact OD2-NH2 3.78Å; D357-R373 PolarHBondContact OD2-NH2 3.36Å
358	F	97.9	Very high	96.4	Very high	2 Å²	2	27 Å²	27	1%	0.009	15%	0.149	C	C	.	.	H	α-helix	trans	-70.2	-46.9	179.8	178.6	-106.5	0	0	0	112.4	F289 R307 W350 G351 L354 G355 C356 F366 P379 F380	F289-F358 HydrophobicContact CD1-CD1 4.05Å; F289-F358 HydrophobicContact CD1-CE1 4.16Å; F289-F358 HydrophobicContact CE1-CD1 4.27Å; F289-F358 AromaticContact CE1-CE1 3.93Å; F289-F358 HydrophobicContact CE1-CE1 3.93Å; R307-F358 PolarHBondContact NH1-O 2.88Å; W350-F358 AromaticContact NE1-CZ 3.6Å; G351-F358 VanDerWaalsContact CA-CE1 3.45Å; L354-F358 HydrophobicContact CB-CB 3.55Å; L354-F358 HydrophobicContact CB-CD1 4.31Å; L354-F358 HydrophobicContact CB-CD2 4.23Å; L354-F358 HydrophobicContact CB-CG 3.78Å; L354-F358 HydrophobicContact CD1-CB 4.49Å; L354-F358 HydrophobicContact CD1-CD1 4.45Å; L354-F358 HydrophobicContact CD1-CD2 3.59Å; L354-F358 HydrophobicContact CD1-CE2 3.85Å; L354-F358 HydrophobicContact CD1-CG 3.92Å; L354-F358 HydrophobicContact CD1-CZ 4.41Å; L354-F358 HydrophobicContact CG-CG 4.48Å; G355-F358 PolarHBondContact O-N 2.85Å; C356-F358 PolarHBondContact O-N 2.7Å; F358-F366 HydrophobicContact CB-CD2 4.07Å; F358-F366 HydrophobicContact CB-CE2 3.78Å; F358-F366 HydrophobicContact CD2-CD2 4.46Å; F358-F366 HydrophobicContact CD2-CE2 4.13Å; F358-F366 HydrophobicContact CD2-CZ 4.23Å; F358-F366 HydrophobicContact CG-CE2 4.45Å; F358-P379 HydrophobicContact CE2-CG 3.99Å; F358-P379 HydrophobicContact CZ-CG 4.38Å; F358-F380 AromaticContact CD2-CE2 3.91Å; F358-F380 HydrophobicContact CD2-CE2 3.91Å; F358-F380 HydrophobicContact CD2-CZ 4.48Å; F358-F380 AromaticContact CE2-CE2 3.7Å; F358-F380 HydrophobicContact CE2-CE2 3.7Å; F358-F380 AromaticContact CE2-CZ 3.92Å; F358-F380 HydrophobicContact CE2-CZ 3.92Å
359	V	97.4	Very high	96.5	Very high	5 Å²	5	29.2 Å²	29.2	3%	0.03	16%	0.159	C	C	.	.	H	α-helix	trans	-86	-22.1	-173.1	-60.4	0	0	0	0	113.6	F289 C291 L294 R307 I308 C356	F289-V359 HydrophobicContact CB-CG1 4Å; F289-V359 HydrophobicContact CD1-CG1 3.77Å; F289-V359 HydrophobicContact CD2-CG1 3.86Å; F289-V359 HydrophobicContact CE1-CG1 4.21Å; F289-V359 HydrophobicContact CE2-CG1 4.27Å; F289-V359 HydrophobicContact CG-CG1 3.6Å; F289-V359 HydrophobicContact CZ-CG1 4.44Å; C291-V359 HydrophobicContact CB-CG2 4.1Å; L294-V359 HydrophobicContact CD1-CB 3.93Å; L294-V359 HydrophobicContact CD1-CG2 3.69Å; R307-V359 PolarHBondContact NH2-O 3.41Å; I308-V359 HydrophobicContact CG2-CB 4.42Å; I308-V359 HydrophobicContact CG2-CG1 4.4Å; C356-V359 PolarHBondContact O-N 2.96Å
360	T	96.5	Very high	96.7	Very high	44 Å²	44	27 Å²	27	27%	0.27	15%	0.148	S	C	.	.	H	α-helix	trans	-109.2	-11.5	-174.8	65.5	0	0	0	0	115.1	C356	C356-T360 WeakPolarHBondContact O-CB 3.34Å; C356-T360 PolarHBondContact O-N 2.89Å; C356-T360 PolarHBondContact O-OG1 3.22Å
361	K	97.5	Very high	96.7	Very high	26 Å²	26	28.7 Å²	28.7	11%	0.113	16%	0.158	C	C	.	.	S	Bend	trans	-116.4	162.7	-177.6	-54.6	176.8	169.5	-80.2	0	111.4	R307 D357 E365 K369	R307-K361 PolarHBondContact NH1-O 3.48Å; D357-K361 HydrophobicContact CB-CD 4Å; D357-K361 VanDerWaalsContact O-CB 3.24Å; D357-K361 WeakPolarHBondContact O-CB 3.49Å; D357-K361 PolarHBondContact O-N 3.39Å; D357-K361 WeakPolarHBondContact OD1-CD 3.46Å; D357-K361 WeakPolarHBondContact OD1-CE 3.34Å; K361-E365 HydrophobicContact CB-CB 4.16Å; K361-E365 HydrophobicContact CD-CB 4.45Å; K361-E365 HydrophobicContact CD-CG 4.17Å; K361-E365 VanDerWaalsContact NZ-CD 3.28Å; K361-E365 IonicContact NZ-OE1 2.79Å; K361-E365 PolarHBondContact NZ-OE1 3.02Å; K361-E365 IonicContact NZ-OE2 2.85Å; K361-E365 PolarHBondContact NZ-OE2 2.86Å; K361-K369 HydrophobicContact CD-CD 4.23Å; K361-K369 VanDerWaalsContact CE-NZ 3.27Å
362	S	97.4	Very high	96.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.			trans	-61.4	153.7	166.8	65.3	0	0	0	0	110.6	L263 Y364 E365 F366	L263-S362 VanDerWaalsContact O-CB 3.29Å; L263-S362 WeakPolarHBondContact O-CB 3.35Å; L263-S362 PolarHBondContact O-OG 3.01Å; S362-Y364 PolarHBondContact O-N 3.23Å; S362-E365 PolarHBondContact O-N 3.01Å; S362-E365 PolarHBondContact OG-N 3.32Å; S362-E365 VanDerWaalsContact OG-N 3.15Å; S362-F366 WeakPolarHBondContact O-CB 3.47Å; S362-F366 PolarHBondContact O-N 2.68Å
363	C	96.4	Very high	96.8	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-58.6	-34.3	171.7	50.5	0	0	0	0	111.9	F366 I367 F380 F414 C438	C363-F366 PolarHBondContact O-N 2.72Å; C363-I367 WeakPolarHBondContact O-CB 3.38Å; C363-I367 WeakPolarHBondContact O-CD1 3.35Å; C363-I367 WeakPolarHBondContact O-CG1 3.3Å; C363-I367 PolarHBondContact O-N 2.96Å; C363-F380 HydrophobicContact CB-CD1 3.71Å; C363-F380 HydrophobicContact CB-CD2 3.89Å; C363-F380 HydrophobicContact CB-CE1 3.6Å; C363-F380 HydrophobicContact CB-CE2 3.76Å; C363-F380 HydrophobicContact CB-CG 3.86Å; C363-F380 HydrophobicContact CB-CZ 3.62Å; C363-F414 WeakPolarHBondContact SG-CD2 3.39Å; C363-F414 WeakPolarHBondContact SG-CE2 3.45Å; C363-C438 HydrophobicContact CB-CB 3.56Å; C363-C438 WeakPolarHBondContact CB-SG 3.4Å; C363-C438 WeakPolarHBondContact SG-CA 3.11Å; C363-C438 WeakPolarHBondContact SG-CB 3.42Å; C363-C438 CovalentContact SG-SG 2.02Å; C363-C438 PolarHBondContact SG-SG 3.33Å
364	Y	96.8	Very high	96.7	Very high	31 Å²	31	46.3 Å²	46.3	12%	0.122	20%	0.203	C	C	.	.	H	α-helix	trans	-58	-52.9	176	-178.1	-106.4	0	0	0	111.8	L263 S264 A265 S362 F366 I367 K368 F414 D416	L263-Y364 HydrophobicContact CD2-CD1 4.25Å; L263-Y364 HydrophobicContact CD2-CE1 4.27Å; L263-Y364 HydrophobicContact CG-CD1 4.03Å; L263-Y364 HydrophobicContact CG-CE1 4.25Å; S264-Y364 WeakPolarHBondContact O-CE1 3.43Å; A265-Y364 HydrophobicContact CB-CE2 4.18Å; S362-Y364 PolarHBondContact O-N 3.23Å; Y364-F366 VanDerWaalsContact C-N 3.34Å; Y364-F366 PolarHBondContact O-N 3.33Å; Y364-I367 PolarHBondContact O-N 2.88Å; Y364-K368 HydrophobicContact CE1-CG 4.19Å; Y364-K368 HydrophobicContact CE2-CD 4.26Å; Y364-K368 HydrophobicContact CE2-CG 4.23Å; Y364-K368 VanDerWaalsContact O-CG 3.31Å; Y364-K368 WeakPolarHBondContact O-CG 3.17Å; Y364-K368 PolarHBondContact O-N 2.82Å; Y364-F414 VanDerWaalsContact CB-CD1 3.48Å; Y364-F414 HydrophobicContact CD2-CB 4.34Å; Y364-F414 WeakPolarHBondContact CD2-O 3.13Å; Y364-F414 WeakPolarHBondContact CE2-O 3.44Å; Y364-F414 HydrophobicContact CG-CD1 4.33Å; Y364-D416 HydrophobicContact CE2-CB 3.97Å; Y364-D416 WeakPolarHBondContact CE2-OD2 3.3Å; Y364-D416 PolarHBondContact OH-OD2 3.28Å
365	E	97.2	Very high	96.6	Very high	14 Å²	14	48.6 Å²	48.6	7%	0.065	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-42.4	179	-161	-176.9	159.5	0	0	111.9	R261 L263 K361 S362 I367 K368 K369	R261-E365 IonicContact CZ-OE1 2.73Å; R261-E365 IonicContact CZ-OE2 3.84Å; R261-E365 IonicContact NH2-OE1 3.6Å; R261-E365 PolarHBondContact NH2-OE1 3.07Å; R261-E365 IonicContact NH2-OE2 3.81Å; R261-E365 PolarHBondContact NH2-OE2 2.91Å; L263-E365 HydrophobicContact CB-CB 4.05Å; L263-E365 HydrophobicContact CB-CG 4.31Å; L263-E365 HydrophobicContact CD2-CB 4.19Å; L263-E365 HydrophobicContact CD2-CG 3.88Å; K361-E365 HydrophobicContact CB-CB 4.16Å; K361-E365 HydrophobicContact CD-CB 4.45Å; K361-E365 HydrophobicContact CD-CG 4.17Å; K361-E365 VanDerWaalsContact NZ-CD 3.28Å; K361-E365 IonicContact NZ-OE1 2.79Å; K361-E365 PolarHBondContact NZ-OE1 3.02Å; K361-E365 IonicContact NZ-OE2 2.85Å; K361-E365 PolarHBondContact NZ-OE2 2.86Å; S362-E365 PolarHBondContact O-N 3.01Å; S362-E365 PolarHBondContact OG-N 3.32Å; S362-E365 VanDerWaalsContact OG-N 3.15Å; E365-I367 PolarHBondContact O-N 3.4Å; E365-K368 PolarHBondContact O-N 3.18Å; E365-K369 HydrophobicContact CG-CD 4.45Å; E365-K369 HydrophobicContact CG-CG 4.46Å; E365-K369 WeakPolarHBondContact O-CB 3.48Å; E365-K369 WeakPolarHBondContact O-CG 3.19Å; E365-K369 PolarHBondContact O-N 3.06Å; E365-K369 VanDerWaalsContact OE1-CE 3.25Å; E365-K369 WeakPolarHBondContact OE1-CE 3.36Å
366	F	97.5	Very high	96.3	Very high	1 Å²	1	51.9 Å²	51.9	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-55.6	-51.7	177.1	174.7	-91	0	0	0	111.1	L354 D357 F358 S362 C363 Y364 K368 K369 R370 F380	L354-F366 HydrophobicContact CB-CE2 4.32Å; L354-F366 HydrophobicContact CB-CZ 4.46Å; L354-F366 HydrophobicContact CD1-CZ 4.13Å; D357-F366 HydrophobicContact CB-CD2 4.07Å; F358-F366 HydrophobicContact CB-CD2 4.07Å; F358-F366 HydrophobicContact CB-CE2 3.78Å; F358-F366 HydrophobicContact CD2-CD2 4.46Å; F358-F366 HydrophobicContact CD2-CE2 4.13Å; F358-F366 HydrophobicContact CD2-CZ 4.23Å; F358-F366 HydrophobicContact CG-CE2 4.45Å; S362-F366 WeakPolarHBondContact O-CB 3.47Å; S362-F366 PolarHBondContact O-N 2.68Å; C363-F366 PolarHBondContact O-N 2.72Å; Y364-F366 VanDerWaalsContact C-N 3.34Å; Y364-F366 PolarHBondContact O-N 3.33Å; F366-K368 PolarHBondContact O-N 3.23Å; F366-K369 PolarHBondContact O-N 3.49Å; F366-R370 HydrophobicContact CD1-CG 4.24Å; F366-R370 HydrophobicContact CD2-CG 4.45Å; F366-R370 HydrophobicContact CE1-CG 3.91Å; F366-R370 HydrophobicContact CE2-CG 4.13Å; F366-R370 HydrophobicContact CZ-CG 3.85Å; F366-R370 VanDerWaalsContact CZ-CZ 3.44Å; F366-R370 VanDerWaalsContact O-CG 3.31Å; F366-R370 WeakPolarHBondContact O-CG 3.34Å; F366-R370 PolarHBondContact O-N 2.67Å; F366-F380 AromaticContact CD1-CD2 3.56Å; F366-F380 HydrophobicContact CD1-CD2 3.56Å; F366-F380 AromaticContact CD1-CE2 3.93Å; F366-F380 HydrophobicContact CD1-CE2 3.93Å; F366-F380 AromaticContact CE1-CD2 3.87Å; F366-F380 HydrophobicContact CE1-CD2 3.87Å; F366-F380 HydrophobicContact CE1-CE2 4.32Å; F366-F380 HydrophobicContact CG-CD2 4.41Å; F366-F380 HydrophobicContact CG-CE2 4.38Å
367	I	95.5	Very high	96	Very high	10 Å²	10	50.9 Å²	50.9	5%	0.051	22%	0.218	C	C	.	.	H	α-helix	trans	-57.9	-50.4	178.9	-69.6	164.9	0	0	0	110.1	C363 Y364 E365 K369 R370 Q371 I377 F380 N382	C363-I367 WeakPolarHBondContact O-CB 3.38Å; C363-I367 WeakPolarHBondContact O-CD1 3.35Å; C363-I367 WeakPolarHBondContact O-CG1 3.3Å; C363-I367 PolarHBondContact O-N 2.96Å; Y364-I367 PolarHBondContact O-N 2.88Å; E365-I367 PolarHBondContact O-N 3.4Å; I367-K369 VanDerWaalsContact C-N 3.33Å; I367-K369 PolarHBondContact O-N 2.97Å; I367-R370 PolarHBondContact O-N 2.74Å; I367-Q371 HydrophobicContact CG2-CG 4.3Å; I367-Q371 WeakPolarHBondContact O-CB 3.32Å; I367-Q371 VanDerWaalsContact O-CG 3.32Å; I367-Q371 WeakPolarHBondContact O-CG 3.26Å; I367-Q371 PolarHBondContact O-N 2.99Å; I367-I377 HydrophobicContact CG1-CB 4.38Å; I367-I377 HydrophobicContact CG2-CD1 4.12Å; I367-I377 HydrophobicContact CG2-CG2 4.28Å; I367-F380 HydrophobicContact CD1-CB 3.77Å; I367-F380 HydrophobicContact CD1-CG 4.46Å; I367-F380 HydrophobicContact CG1-CB 3.92Å; I367-N382 HydrophobicContact CG2-CB 4.33Å
368	K	95.5	Very high	95.8	Very high	44 Å²	44	51.5 Å²	51.5	19%	0.191	22%	0.22	C	C	.	.	H	α-helix	trans	-60.5	-42	-179.4	-62.9	-66.2	-83.1	-158.5	0	112	Y364 E365 F366 R372 D416	Y364-K368 HydrophobicContact CE1-CG 4.19Å; Y364-K368 HydrophobicContact CE2-CD 4.26Å; Y364-K368 HydrophobicContact CE2-CG 4.23Å; Y364-K368 VanDerWaalsContact O-CG 3.31Å; Y364-K368 WeakPolarHBondContact O-CG 3.17Å; Y364-K368 PolarHBondContact O-N 2.82Å; E365-K368 PolarHBondContact O-N 3.18Å; F366-K368 PolarHBondContact O-N 3.23Å; K368-R372 VanDerWaalsContact O-CG 3.28Å; K368-R372 WeakPolarHBondContact O-CG 3.16Å; K368-R372 PolarHBondContact O-N 3.46Å; K368-D416 IonicContact NZ-OD2 3.9Å; K368-D416 PolarHBondContact NZ-OD2 3.38Å
369	K	96.7	Very high	95.5	Very high	58 Å²	58	52.3 Å²	52.3	25%	0.252	23%	0.225	S	C	.	.	H	α-helix	trans	-65.1	-42.1	177.8	-79	-174.2	165.9	-150.6	0	112.7	D357 K361 E365 F366 I367 R373	D357-K369 IonicContact OD1-NZ 2.72Å; D357-K369 PolarHBondContact OD1-NZ 3.19Å; D357-K369 VanDerWaalsContact OD2-CD 3.29Å; D357-K369 WeakPolarHBondContact OD2-CD 3.35Å; D357-K369 IonicContact OD2-NZ 2.69Å; D357-K369 PolarHBondContact OD2-NZ 3.48Å; K361-K369 HydrophobicContact CD-CD 4.23Å; K361-K369 VanDerWaalsContact CE-NZ 3.27Å; E365-K369 HydrophobicContact CG-CD 4.45Å; E365-K369 HydrophobicContact CG-CG 4.46Å; E365-K369 WeakPolarHBondContact O-CB 3.48Å; E365-K369 WeakPolarHBondContact O-CG 3.19Å; E365-K369 PolarHBondContact O-N 3.06Å; E365-K369 VanDerWaalsContact OE1-CE 3.25Å; E365-K369 WeakPolarHBondContact OE1-CE 3.36Å; F366-K369 PolarHBondContact O-N 3.49Å; I367-K369 VanDerWaalsContact C-N 3.33Å; I367-K369 PolarHBondContact O-N 2.97Å; K369-R373 WeakPolarHBondContact O-CG 3.43Å; K369-R373 PolarHBondContact O-N 2.9Å; K369-R373 PolarHBondContact O-NE 3.14Å
370	R	96.1	Very high	95.3	Very high	21 Å²	21	52.2 Å²	52.2	8%	0.079	22%	0.224	C	C	.	.	H	α-helix	trans	-67.4	-44	177.7	-68.9	-63.4	-178.4	100.8	-10.8	111.3	L354 F366 I367 R372 R373 R374 E375 D376 I377	L354-R370 VanDerWaalsContact CA-NH2 3.35Å; L354-R370 PolarHBondContact O-NH2 2.82Å; F366-R370 HydrophobicContact CD1-CG 4.24Å; F366-R370 HydrophobicContact CD2-CG 4.45Å; F366-R370 HydrophobicContact CE1-CG 3.91Å; F366-R370 HydrophobicContact CE2-CG 4.13Å; F366-R370 HydrophobicContact CZ-CG 3.85Å; F366-R370 VanDerWaalsContact CZ-CZ 3.44Å; F366-R370 VanDerWaalsContact O-CG 3.31Å; F366-R370 WeakPolarHBondContact O-CG 3.34Å; F366-R370 PolarHBondContact O-N 2.67Å; I367-R370 PolarHBondContact O-N 2.74Å; R370-R372 PolarHBondContact O-N 2.65Å; R370-R373 CarbonylContact O-C 3.4Å; R370-R373 WeakPolarHBondContact O-CA 3.43Å; R370-R373 PolarHBondContact O-N 2.75Å; R370-R374 PolarHBondContact O-N 3.21Å; R370-E375 HydrophobicContact CB-CB 4.23Å; R370-E375 WeakPolarHBondContact CD-OE2 3.44Å; R370-E375 IonicContact CZ-OE2 2.79Å; R370-E375 IonicContact NE-OE2 3.14Å; R370-E375 PolarHBondContact NE-OE2 2.82Å; R370-E375 PolarHBondContact O-N 3.22Å; R370-D376 PolarHBondContact NH1-O 2.86Å; R370-D376 VanDerWaalsContact NH1-O 3.15Å; R370-I377 HydrophobicContact CB-CG2 3.8Å
371	Q	93.9	Very high	95.1	Very high	59 Å²	59	50.1 Å²	50.1	28%	0.276	21%	0.211	S	C	.	.	H	α-helix	trans	-59.1	-44.6	175.9	-75	177.9	-31.6	0	0	112.8	I367 R373 R374 I377 N382 L418	I367-Q371 HydrophobicContact CG2-CG 4.3Å; I367-Q371 WeakPolarHBondContact O-CB 3.32Å; I367-Q371 VanDerWaalsContact O-CG 3.32Å; I367-Q371 WeakPolarHBondContact O-CG 3.26Å; I367-Q371 PolarHBondContact O-N 2.99Å; Q371-R373 PolarHBondContact O-N 2.76Å; Q371-R374 PolarHBondContact O-N 3.07Å; Q371-I377 HydrophobicContact CG-CG2 3.88Å; Q371-N382 PolarHBondContact NE2-ND2 2.71Å; Q371-L418 VanDerWaalsContact OE1-CD1 3.31Å
372	R	95.8	Very high	94.7	Very high	186 Å²	186	49.8 Å²	49.8	70%	0.702	21%	0.211	S	C	*	.	H	α-helix	trans	-58.4	-34.1	175.2	-74.7	174.4	-173.8	132.4	-2.5	112.6	K368 R370 R374	K368-R372 VanDerWaalsContact O-CG 3.28Å; K368-R372 WeakPolarHBondContact O-CG 3.16Å; K368-R372 PolarHBondContact O-N 3.46Å; R370-R372 PolarHBondContact O-N 2.65Å; R372-R374 VanDerWaalsContact C-N 3.34Å
373	R	96.7	Very high	94.1	Very high	115 Å²	115	52 Å²	52	43%	0.434	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	0.3	177	-66.6	-177.4	-72.6	160	-16.7	113.8	D357 K369 R370 Q371 E375	D357-R373 IonicContact OD2-NH2 3.78Å; D357-R373 PolarHBondContact OD2-NH2 3.36Å; K369-R373 WeakPolarHBondContact O-CG 3.43Å; K369-R373 PolarHBondContact O-N 2.9Å; K369-R373 PolarHBondContact O-NE 3.14Å; R370-R373 CarbonylContact O-C 3.4Å; R370-R373 WeakPolarHBondContact O-CA 3.43Å; R370-R373 PolarHBondContact O-N 2.75Å; Q371-R373 PolarHBondContact O-N 2.76Å; R373-E375 HydrophobicContact CB-CB 4.49Å; R373-E375 HydrophobicContact CB-CG 3.87Å; R373-E375 WeakPolarHBondContact CD-OE1 3.45Å; R373-E375 IonicContact CZ-OE1 3.09Å; R373-E375 IonicContact CZ-OE2 2.89Å; R373-E375 IonicContact NE-OE1 3.39Å; R373-E375 IonicContact NE-OE2 3.27Å; R373-E375 VanDerWaalsContact NH1-CD 3.25Å; R373-E375 IonicContact NH1-OE1 2.73Å; R373-E375 PolarHBondContact NH1-OE1 2.96Å; R373-E375 IonicContact NH1-OE2 2.74Å; R373-E375 PolarHBondContact NH1-OE2 2.75Å; R373-E375 IonicContact NH2-OE2 2.93Å; R373-E375 PolarHBondContact O-N 2.9Å
374	R	95	Very high	93.3	Very high	240 Å²	240	54.4 Å²	54.4	91%	0.906	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	33.1	-173	-54.3	179.4	-179.5	178	-0.4	112.9	R370 Q371 R372	R370-R374 PolarHBondContact O-N 3.21Å; Q371-R374 PolarHBondContact O-N 3.07Å; R372-R374 VanDerWaalsContact C-N 3.34Å
375	E	94.5	Very high	92.3	Very high	78 Å²	78	56.9 Å²	56.9	36%	0.364	25%	0.252	S	S	.	.			trans	-94.7	158.9	176.6	-69.4	172.5	-161.1	0	0	111.2	R370 R373	R370-E375 HydrophobicContact CB-CB 4.23Å; R370-E375 WeakPolarHBondContact CD-OE2 3.44Å; R370-E375 IonicContact CZ-OE2 2.79Å; R370-E375 IonicContact NE-OE2 3.14Å; R370-E375 PolarHBondContact NE-OE2 2.82Å; R370-E375 PolarHBondContact O-N 3.22Å; R373-E375 HydrophobicContact CB-CB 4.49Å; R373-E375 HydrophobicContact CB-CG 3.87Å; R373-E375 WeakPolarHBondContact CD-OE1 3.45Å; R373-E375 IonicContact CZ-OE1 3.09Å; R373-E375 IonicContact CZ-OE2 2.89Å; R373-E375 IonicContact NE-OE1 3.39Å; R373-E375 IonicContact NE-OE2 3.27Å; R373-E375 VanDerWaalsContact NH1-CD 3.25Å; R373-E375 IonicContact NH1-OE1 2.73Å; R373-E375 PolarHBondContact NH1-OE1 2.96Å; R373-E375 IonicContact NH1-OE2 2.74Å; R373-E375 PolarHBondContact NH1-OE2 2.75Å; R373-E375 IonicContact NH2-OE2 2.93Å; R373-E375 PolarHBondContact O-N 2.9Å
376	D	91.8	Very high	91.6	Very high	86 Å²	86	59.4 Å²	59.4	46%	0.46	26%	0.264	S	S	.	.			trans	-62.1	135.9	173.3	-165	-4.1	0	0	0	111.3	R370 K378	R370-D376 PolarHBondContact NH1-O 2.86Å; R370-D376 VanDerWaalsContact NH1-O 3.15Å; D376-K378 WeakPolarHBondContact OD1-CG 3.5Å; D376-K378 PolarHBondContact OD1-N 3.49Å; D376-K378 VanDerWaalsContact OD1-N 3.1Å; D376-K378 IonicContact OD1-NZ 3.71Å; D376-K378 PolarHBondContact OD1-NZ 2.99Å; D376-K378 WeakPolarHBondContact OD2-CE 3.18Å; D376-K378 IonicContact OD2-NZ 3.53Å; D376-K378 PolarHBondContact OD2-NZ 2.89Å
377	I	93.1	Very high	91	Very high	12 Å²	12	62 Å²	62	6%	0.062	28%	0.278	C	S	.	.			trans	-96.4	-3.2	-179.5	68.2	168.8	0	0	0	113.1	I367 R370 Q371 F380 N382	I367-I377 HydrophobicContact CG1-CB 4.38Å; I367-I377 HydrophobicContact CG2-CD1 4.12Å; I367-I377 HydrophobicContact CG2-CG2 4.28Å; R370-I377 HydrophobicContact CB-CG2 3.8Å; Q371-I377 HydrophobicContact CG-CG2 3.88Å; I377-F380 PolarHBondContact O-N 3.16Å; I377-F380 VanDerWaalsContact O-N 3.11Å; I377-N382 HydrophobicContact CD1-CB 4.04Å; I377-N382 VanDerWaalsContact CD1-OD1 3.28Å; I377-N382 WeakPolarHBondContact CD1-OD1 3.36Å
378	K	91.8	Very high	90.5	Very high	48 Å²	48	63.5 Å²	63.5	21%	0.209	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	145.5	175.8	-77.3	-168.8	-68.6	-68.4	0	111.8	D376 F380 I390 L441	D376-K378 WeakPolarHBondContact OD1-CG 3.5Å; D376-K378 PolarHBondContact OD1-N 3.49Å; D376-K378 VanDerWaalsContact OD1-N 3.1Å; D376-K378 IonicContact OD1-NZ 3.71Å; D376-K378 PolarHBondContact OD1-NZ 2.99Å; D376-K378 WeakPolarHBondContact OD2-CE 3.18Å; D376-K378 IonicContact OD2-NZ 3.53Å; D376-K378 PolarHBondContact OD2-NZ 2.89Å; K378-F380 VanDerWaalsContact C-N 3.34Å; K378-I390 HydrophobicContact CD-CG1 4.47Å; K378-L441 HydrophobicContact CD-CD1 3.59Å; K378-L441 HydrophobicContact CG-CD1 3.57Å
379	P	92.5	Very high	90	Very high	18 Å²	18	63.1 Å²	63.1	12%	0.117	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	cis	-81.9	-2.3	8.9	34.5	-37.5	0	0	0	114.9	W350 F358 L441	W350-P379 HydrophobicContact CD2-CB 4.32Å; W350-P379 HydrophobicContact CD2-CG 4.08Å; W350-P379 HydrophobicContact CE3-CB 3.78Å; W350-P379 HydrophobicContact CE3-CG 4.06Å; W350-P379 HydrophobicContact CH2-CB 3.54Å; W350-P379 HydrophobicContact CH2-CG 3.6Å; W350-P379 HydrophobicContact CZ2-CB 4.08Å; W350-P379 HydrophobicContact CZ2-CG 3.6Å; W350-P379 HydrophobicContact CZ3-CB 3.36Å; W350-P379 HydrophobicContact CZ3-CG 3.83Å; F358-P379 HydrophobicContact CE2-CG 3.99Å; F358-P379 HydrophobicContact CZ-CG 4.38Å; P379-L441 PolarHBondContact O-N 3.26Å
380	F	93.9	Very high	89.3	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.018	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-77.1	169	177.6	-54.8	-64	0	0	0	112.5	F358 C363 F366 I367 I377 K378 C438 P439 V440	F358-F380 AromaticContact CD2-CE2 3.91Å; F358-F380 HydrophobicContact CD2-CE2 3.91Å; F358-F380 HydrophobicContact CD2-CZ 4.48Å; F358-F380 AromaticContact CE2-CE2 3.7Å; F358-F380 HydrophobicContact CE2-CE2 3.7Å; F358-F380 AromaticContact CE2-CZ 3.92Å; F358-F380 HydrophobicContact CE2-CZ 3.92Å; C363-F380 HydrophobicContact CB-CD1 3.71Å; C363-F380 HydrophobicContact CB-CD2 3.89Å; C363-F380 HydrophobicContact CB-CE1 3.6Å; C363-F380 HydrophobicContact CB-CE2 3.76Å; C363-F380 HydrophobicContact CB-CG 3.86Å; C363-F380 HydrophobicContact CB-CZ 3.62Å; F366-F380 AromaticContact CD1-CD2 3.56Å; F366-F380 HydrophobicContact CD1-CD2 3.56Å; F366-F380 AromaticContact CD1-CE2 3.93Å; F366-F380 HydrophobicContact CD1-CE2 3.93Å; F366-F380 AromaticContact CE1-CD2 3.87Å; F366-F380 HydrophobicContact CE1-CD2 3.87Å; F366-F380 HydrophobicContact CE1-CE2 4.32Å; F366-F380 HydrophobicContact CG-CD2 4.41Å; F366-F380 HydrophobicContact CG-CE2 4.38Å; I367-F380 HydrophobicContact CD1-CB 3.77Å; I367-F380 HydrophobicContact CD1-CG 4.46Å; I367-F380 HydrophobicContact CG1-CB 3.92Å; I377-F380 PolarHBondContact O-N 3.16Å; I377-F380 VanDerWaalsContact O-N 3.11Å; K378-F380 VanDerWaalsContact C-N 3.34Å; F380-C438 HydrophobicContact CD1-CB 3.86Å; F380-C438 HydrophobicContact CE1-CB 3.58Å; F380-P439 CarbonylContact C-O 3.59Å; F380-P439 WeakPolarHBondContact CA-O 2.76Å; F380-P439 WeakPolarHBondContact CB-O 3.37Å; F380-P439 WeakPolarHBondContact CD1-O 3.41Å; F380-V440 HydrophobicContact CD1-CG1 3.75Å; F380-V440 HydrophobicContact CE1-CG1 3.98Å
381	C	92	Very high	88.2	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	31%	0.314	C	S	.	.			trans	-143.1	166.1	176.8	56.4	0	0	0	0	110.9	C399 P439 V440 L441	C381-C399 HydrophobicContact CB-CB 3.59Å; C381-C399 WeakPolarHBondContact CB-SG 3.39Å; C381-C399 WeakPolarHBondContact SG-CA 3.37Å; C381-C399 WeakPolarHBondContact SG-CB 3.24Å; C381-C399 CovalentContact SG-SG 2.02Å; C381-C399 PolarHBondContact SG-SG 2.86Å; C381-P439 PolarHBondContact N-O 2.9Å; C381-P439 WeakPolarHBondContact O-CB 3.47Å; C381-P439 VanDerWaalsContact SG-C 3.57Å; C381-V440 VanDerWaalsContact SG-C 3.57Å; C381-L441 HydrophobicContact CB-CD2 3.72Å; C381-L441 HydrophobicContact CB-CG 4.06Å
382	N	88.5	Confident	87.1	Confident	18 Å²	18	69.9 Å²	69.9	10%	0.096	33%	0.326	C	S	.	.	S	Bend	trans	-137.3	6.9	-171.9	69.1	-51.7	0	0	0	113.9	I367 Q371 I377 F419	I367-N382 HydrophobicContact CG2-CB 4.33Å; Q371-N382 PolarHBondContact NE2-ND2 2.71Å; I377-N382 HydrophobicContact CD1-CB 4.04Å; I377-N382 VanDerWaalsContact CD1-OD1 3.28Å; I377-N382 WeakPolarHBondContact CD1-OD1 3.36Å; N382-F419 VanDerWaalsContact C-CE1 3.5Å; N382-F419 HydrophobicContact CB-CZ 4.21Å; N382-F419 WeakPolarHBondContact O-CD1 3.24Å; N382-F419 WeakPolarHBondContact O-CE1 3.48Å
383	T	83.8	Confident	86	Confident	48 Å²	48	65.4 Å²	65.4	29%	0.294	31%	0.313	S	S	.	.	S	Bend	trans	-134.7	123.4	-178.9	-42.2	0	0	0	0	107.8	N385 E386 C399	T383-N385 PolarHBondContact O-N 2.92Å; T383-E386 WeakPolarHBondContact CB-OE2 2.99Å; T383-E386 HydrophobicContact CG2-CB 3.92Å; T383-E386 HydrophobicContact CG2-CG 4.48Å; T383-E386 WeakPolarHBondContact O-CB 3.47Å; T383-E386 PolarHBondContact O-N 3.43Å; T383-E386 PolarHBondContact OG1-OE2 3.49Å; T383-C399 WeakPolarHBondContact O-CB 3.38Å; T383-C399 PolarHBondContact O-SG 3.18Å
384	N	79.9	Confident	85.3	Confident	51 Å²	51	63.8 Å²	63.8	27%	0.273	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	133.7	-176.5	-172.4	16.8	0	0	0	111.4	E386 V401	N384-E386 PolarHBondContact O-N 3.24Å; N384-V401 HydrophobicContact CB-CB 4.33Å; N384-V401 PolarHBondContact OD1-O 2.76Å
385	N	76.1	Confident	84.9	Confident	83 Å²	83	53.2 Å²	53.2	44%	0.444	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	16.3	178.6	-63.9	-33.2	0	0	0	115.2	T383 L387 C399	T383-N385 PolarHBondContact O-N 2.92Å; N385-L387 PolarHBondContact O-N 2.94Å; N385-C399 PolarHBondContact N-O 3.24Å
386	E	82.8	Confident	84.5	Confident	68 Å²	68	49.5 Å²	49.5	32%	0.318	26%	0.258	S	S	.	.			trans	-67	127.1	176.3	-176.8	-174	-175.9	0	0	109.7	T383 N384 K388 C399	T383-E386 WeakPolarHBondContact CB-OE2 2.99Å; T383-E386 HydrophobicContact CG2-CB 3.92Å; T383-E386 HydrophobicContact CG2-CG 4.48Å; T383-E386 WeakPolarHBondContact O-CB 3.47Å; T383-E386 PolarHBondContact O-N 3.43Å; T383-E386 PolarHBondContact OG1-OE2 3.49Å; N384-E386 PolarHBondContact O-N 3.24Å; E386-K388 HydrophobicContact CG-CG 4.25Å; E386-K388 WeakPolarHBondContact OE1-CE 3.44Å; E386-K388 IonicContact OE1-NZ 2.85Å; E386-K388 WeakPolarHBondContact OE2-CE 3.01Å; E386-K388 IonicContact OE2-NZ 3.98Å; E386-K388 PolarHBondContact OE2-NZ 2.97Å; E386-K388 VanDerWaalsContact OE2-NZ 3.09Å; E386-C399 PolarHBondContact O-N 3.24Å
387	L	84	Confident	84.4	Confident	56 Å²	56	45.4 Å²	45.4	29%	0.293	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	122.7	174	-66.9	175	0	0	0	109.8	N385 L396 G397	N385-L387 PolarHBondContact O-N 2.94Å; L387-L396 HydrophobicContact CB-CD1 4.11Å; L387-L396 HydrophobicContact CD1-CD2 4.32Å; L387-L396 HydrophobicContact CD2-CD2 4.1Å; L387-L396 HydrophobicContact CD2-CG 4.18Å; L387-G397 CarbonylContact C-O 3.56Å; L387-G397 WeakPolarHBondContact CA-O 3.36Å
388	K	85.9	Confident	84.2	Confident	41 Å²	41	47.6 Å²	47.6	18%	0.178	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	135.4	176.9	-67.8	-166.7	-178.8	178.8	0	110.9	E386 I390 G397 L441	E386-K388 HydrophobicContact CG-CG 4.25Å; E386-K388 WeakPolarHBondContact OE1-CE 3.44Å; E386-K388 IonicContact OE1-NZ 2.85Å; E386-K388 WeakPolarHBondContact OE2-CE 3.01Å; E386-K388 IonicContact OE2-NZ 3.98Å; E386-K388 PolarHBondContact OE2-NZ 2.97Å; E386-K388 VanDerWaalsContact OE2-NZ 3.09Å; K388-I390 PolarHBondContact O-N 2.83Å; K388-G397 PolarHBondContact N-O 3.34Å; K388-G397 PolarHBondContact O-N 3.17Å; K388-L441 HydrophobicContact CB-CD1 4.01Å; K388-L441 HydrophobicContact CB-CD2 4.25Å; K388-L441 HydrophobicContact CD-CD1 4.32Å; K388-L441 HydrophobicContact CD-CD2 4.41Å; K388-L441 HydrophobicContact CG-CD2 4.46Å
389	C	84.9	Confident	84.1	Confident	36 Å²	36	45.3 Å²	45.3	24%	0.243	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	122.1	167.9	-179.9	0	0	0	0	110.9	K391 C454	C389-K391 PolarHBondContact O-N 3.15Å; C389-C454 WeakPolarHBondContact CA-SG 3.33Å; C389-C454 HydrophobicContact CB-CB 3.74Å; C389-C454 WeakPolarHBondContact CB-SG 3.44Å; C389-C454 WeakPolarHBondContact SG-CB 3.4Å; C389-C454 CovalentContact SG-SG 2.02Å; C389-C454 PolarHBondContact SG-SG 2.97Å
390	I	81.8	Confident	83.9	Confident	21 Å²	21	45.2 Å²	45.2	11%	0.108	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	84.8	168.2	-52.5	179	0	0	0	107.2	K378 K388 S392 E393 N394 V395 L441 V443	K378-I390 HydrophobicContact CD-CG1 4.47Å; K388-I390 PolarHBondContact O-N 2.83Å; I390-S392 PolarHBondContact O-N 2.9Å; I390-S392 VanDerWaalsContact O-N 3.07Å; I390-E393 PolarHBondContact O-N 3.01Å; I390-N394 PolarHBondContact O-N 3.21Å; I390-V395 HydrophobicContact CB-CG2 3.87Å; I390-V395 HydrophobicContact CD1-CG2 4.11Å; I390-V395 HydrophobicContact CG1-CG2 4.34Å; I390-V395 PolarHBondContact N-O 3.07Å; I390-L441 HydrophobicContact CD1-CB 4.45Å; I390-L441 HydrophobicContact CG1-CD1 4.38Å; I390-V443 HydrophobicContact CD1-CG2 4.45Å
391	K	73	Confident	83.8	Confident	184 Å²	184	45.4 Å²	45.4	80%	0.8	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-32.9	-172.7	-68.2	-173.3	177.3	-175.6	0	114.6	C389 E393 N394	C389-K391 PolarHBondContact O-N 3.15Å; K391-E393 PolarHBondContact O-N 2.86Å; K391-E393 VanDerWaalsContact O-N 3.13Å; K391-N394 PolarHBondContact O-N 2.88Å
392	S	71.2	Confident	83.8	Confident	75 Å²	75	48.7 Å²	48.7	52%	0.524	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.3	179.8	52.5	0	0	0	0	114.4	K349 I390	K349-S392 PolarHBondContact NZ-O 2.99Å; K349-S392 VanDerWaalsContact NZ-O 3.09Å; I390-S392 PolarHBondContact O-N 2.9Å; I390-S392 VanDerWaalsContact O-N 3.07Å
393	E	72.4	Confident	84	Confident	91 Å²	91	53.3 Å²	53.3	43%	0.425	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.9	-3.3	-177.3	-71.2	170.7	-143.7	0	0	112.3	K349 I390 K391 V395	K349-E393 HydrophobicContact CD-CG 4.48Å; I390-E393 PolarHBondContact O-N 3.01Å; K391-E393 PolarHBondContact O-N 2.86Å; K391-E393 VanDerWaalsContact O-N 3.13Å; E393-V395 HydrophobicContact CB-CG1 4.26Å; E393-V395 HydrophobicContact CB-CG2 3.78Å; E393-V395 PolarHBondContact O-N 2.83Å
394	N	83.2	Confident	84.5	Confident	82 Å²	82	53.8 Å²	53.8	44%	0.439	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	31.2	-172.8	-164.6	29.3	0	0	0	114.1	I390 K391 T453 C454	I390-N394 PolarHBondContact O-N 3.21Å; K391-N394 PolarHBondContact O-N 2.88Å; N394-T453 WeakPolarHBondContact O-CA 3.4Å; N394-C454 VanDerWaalsContact C-SG 3.51Å; N394-C454 PolarHBondContact O-N 2.64Å; N394-C454 VanDerWaalsContact O-N 3.15Å
395	V	84.9	Confident	85.2	Confident	17 Å²	17	59.2 Å²	59.2	10%	0.103	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	146.4	179.4	-61.8	0	0	0	0	111.6	I390 E393 V443 P451 L452 C454	I390-V395 HydrophobicContact CB-CG2 3.87Å; I390-V395 HydrophobicContact CD1-CG2 4.11Å; I390-V395 HydrophobicContact CG1-CG2 4.34Å; I390-V395 PolarHBondContact N-O 3.07Å; E393-V395 HydrophobicContact CB-CG1 4.26Å; E393-V395 HydrophobicContact CB-CG2 3.78Å; E393-V395 PolarHBondContact O-N 2.83Å; V395-V443 HydrophobicContact CB-CG1 4.2Å; V395-V443 HydrophobicContact CG2-CG1 4.31Å; V395-V443 HydrophobicContact CG2-CG2 4.01Å; V395-P451 HydrophobicContact CG1-CB 3.76Å; V395-L452 CarbonylContact C-O 3.45Å; V395-L452 VanDerWaalsContact CA-O 3.31Å; V395-L452 WeakPolarHBondContact CA-O 3.45Å; V395-C454 VanDerWaalsContact C-SG 3.57Å; V395-C454 PolarHBondContact O-SG 2.84Å
396	L	87.7	Confident	86	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	129.6	171.8	-168.5	63.8	0	0	0	109	L387 A444 L452 Q457 L462	L387-L396 HydrophobicContact CB-CD1 4.11Å; L387-L396 HydrophobicContact CD1-CD2 4.32Å; L387-L396 HydrophobicContact CD2-CD2 4.1Å; L387-L396 HydrophobicContact CD2-CG 4.18Å; L396-A444 HydrophobicContact CB-CB 4.45Å; L396-A444 WeakPolarHBondContact O-CB 3.15Å; L396-A444 PolarHBondContact O-N 2.84Å; L396-L452 HydrophobicContact CB-CB 4.13Å; L396-L452 PolarHBondContact N-O 2.75Å; L396-Q457 HydrophobicContact CD1-CB 3.97Å; L396-Q457 HydrophobicContact CD1-CG 4.4Å; L396-Q457 VanDerWaalsContact CD1-OE1 3.32Å; L396-Q457 HydrophobicContact CD2-CB 4.39Å; L396-L462 HydrophobicContact CD2-CD2 4.47Å
397	G	88.4	Confident	86.7	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	154.2	172.9	0	0	0	0	0	111.8	L387 K388 T442	L387-G397 CarbonylContact C-O 3.56Å; L387-G397 WeakPolarHBondContact CA-O 3.36Å; K388-G397 PolarHBondContact N-O 3.34Å; K388-G397 PolarHBondContact O-N 3.17Å; G397-T442 CarbonylContact C-O 3.59Å; G397-T442 WeakPolarHBondContact CA-O 3.16Å
398	Y	88.9	Confident	87.2	Confident	57 Å²	57	59.3 Å²	59.3	22%	0.224	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	146.7	172.9	67.5	-80.2	0	0	0	110.4	Q400 L441 T442 A444	Y398-Q400 HydrophobicContact CD2-CG 4.2Å; Y398-Q400 HydrophobicContact CE2-CG 3.64Å; Y398-Q400 PolarHBondContact OH-NE2 2.91Å; Y398-L441 WeakPolarHBondContact O-CA 3.46Å; Y398-T442 WeakPolarHBondContact CD1-O 3.46Å; Y398-T442 HydrophobicContact CE1-CG2 4.04Å; Y398-T442 PolarHBondContact N-O 2.93Å; Y398-T442 PolarHBondContact O-N 3.24Å; Y398-A444 HydrophobicContact CD1-CB 4.01Å
399	C	90.5	Very high	87.7	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	122.3	178.9	-173.1	0	0	0	0	111.7	C381 T383 N385 E386 V401 L441	C381-C399 HydrophobicContact CB-CB 3.59Å; C381-C399 WeakPolarHBondContact CB-SG 3.39Å; C381-C399 WeakPolarHBondContact SG-CA 3.37Å; C381-C399 WeakPolarHBondContact SG-CB 3.24Å; C381-C399 CovalentContact SG-SG 2.02Å; C381-C399 PolarHBondContact SG-SG 2.86Å; T383-C399 WeakPolarHBondContact O-CB 3.38Å; T383-C399 PolarHBondContact O-SG 3.18Å; N385-C399 PolarHBondContact N-O 3.24Å; E386-C399 PolarHBondContact O-N 3.24Å; C399-V401 PolarHBondContact O-N 3.22Å; C399-L441 HydrophobicContact CB-CD2 4.22Å
400	Q	88.7	Confident	88.4	Confident	16 Å²	16	64.1 Å²	64.1	8%	0.075	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	105.6	177	-74.2	-171.3	-28.1	0	0	111.4	Y398 Y402 G431 V440 T442	Y398-Q400 HydrophobicContact CD2-CG 4.2Å; Y398-Q400 HydrophobicContact CE2-CG 3.64Å; Y398-Q400 PolarHBondContact OH-NE2 2.91Å; Q400-Y402 HydrophobicContact CB-CE2 3.83Å; Q400-Y402 HydrophobicContact CG-CE2 4.37Å; Q400-Y402 WeakPolarHBondContact CG-OH 3.28Å; Q400-Y402 PolarHBondContact NE2-OH 2.03Å; Q400-G431 WeakPolarHBondContact O-CA 3.49Å; Q400-V440 PolarHBondContact N-O 2.84Å; Q400-T442 PolarHBondContact NE2-OG1 3.48Å; Q400-T442 PolarHBondContact OE1-OG1 2.93Å
401	V	91.2	Very high	89.1	Confident	8 Å²	8	65 Å²	65	5%	0.048	33%	0.325	C	S	.	.			trans	-133.2	129.5	171	-176.3	0	0	0	0	108.5	N384 C399 M415 F419 Y429 G430 P439	N384-V401 HydrophobicContact CB-CB 4.33Å; N384-V401 PolarHBondContact OD1-O 2.76Å; C399-V401 PolarHBondContact O-N 3.22Å; V401-M415 HydrophobicContact CG1-SD 4.04Å; V401-F419 HydrophobicContact CG2-CD1 4.4Å; V401-F419 HydrophobicContact CG2-CE1 4.08Å; V401-Y429 HydrophobicContact CG1-CD1 4.11Å; V401-G430 CarbonylContact C-O 3.59Å; V401-G430 WeakPolarHBondContact CA-O 3.4Å; V401-P439 HydrophobicContact CG2-CB 3.78Å; V401-P439 HydrophobicContact CG2-CG 4.03Å
402	Y	91.1	Very high	90.2	Very high	69 Å²	69	57.3 Å²	57.3	27%	0.271	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	151.8	-175.4	-56.6	-79.7	0	0	0	110.8	Q400 Y429 G430 L432	Q400-Y402 HydrophobicContact CB-CE2 3.83Å; Q400-Y402 HydrophobicContact CG-CE2 4.37Å; Q400-Y402 WeakPolarHBondContact CG-OH 3.28Å; Q400-Y402 PolarHBondContact NE2-OH 2.03Å; Y402-Y429 VanDerWaalsContact O-CA 3.27Å; Y402-Y429 WeakPolarHBondContact O-CA 3.4Å; Y402-G430 PolarHBondContact N-O 2.9Å; Y402-G430 PolarHBondContact O-N 3.04Å; Y402-L432 HydrophobicContact CD2-CD2 4.09Å; Y402-L432 HydrophobicContact CE2-CD2 3.42Å; Y402-L432 VanDerWaalsContact CE2-CD2 3.42Å; Y402-L432 HydrophobicContact CE2-CG 3.94Å
403	Q	93.3	Very high	91.4	Very high	115 Å²	115	54.5 Å²	54.5	54%	0.537	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	123.8	165	-172.9	-179.3	-9	0	0	109	Y428 Y429	Q403-Y428 CarbonylContact C-O 3.59Å; Q403-Y428 WeakPolarHBondContact CA-O 3.31Å; Q403-Y429 HydrophobicContact CB-CD1 4.27Å; Q403-Y429 HydrophobicContact CB-CD2 4.37Å; Q403-Y429 HydrophobicContact CB-CE1 3.81Å; Q403-Y429 HydrophobicContact CB-CE2 3.94Å; Q403-Y429 HydrophobicContact CG-CD2 4.17Å; Q403-Y429 HydrophobicContact CG-CE1 4.45Å; Q403-Y429 HydrophobicContact CG-CE2 3.65Å; Q403-Y429 PolarHBondContact OE1-OH 2.85Å; Q403-Y429 VanDerWaalsContact OE1-OH 3.12Å
404	Y	94	Very high	92.6	Very high	58 Å²	58	50.3 Å²	50.3	23%	0.227	25%	0.25	C	S	.	.			trans	-93.6	152.5	174.8	-70.5	-90.8	0	0	0	110.9	V406 M408 Y428 G431 N433 Y437	Y404-V406 VanDerWaalsContact C-N 3.29Å; Y404-M408 HydrophobicContact CD2-SD 4.48Å; Y404-Y428 PolarHBondContact N-O 2.86Å; Y404-G431 PolarHBondContact OH-O 2.85Å; Y404-N433 PolarHBondContact OH-N 2.92Å; Y404-Y437 HydrophobicContact CD1-CE1 4.43Å; Y404-Y437 HydrophobicContact CE1-CD1 4.45Å; Y404-Y437 AromaticContact CE1-CE1 3.96Å; Y404-Y437 HydrophobicContact CE1-CE1 3.96Å; Y404-Y437 AromaticContact CE2-CD1 3.86Å; Y404-Y437 HydrophobicContact CE2-CD1 3.86Å; Y404-Y437 HydrophobicContact CE2-CE1 4.14Å; Y404-Y437 AromaticContact CZ-CD1 3.84Å; Y404-Y437 AromaticContact CZ-CE1 3.8Å
405	N	94.6	Very high	93.1	Very high	165 Å²	165	46.6 Å²	46.6	88%	0.882	23%	0.231	S	C	*	.	S	Bend	trans	-78.7	-14.2	178.5	-64.2	-26.3	0	0	0	113.2
406	V	94.5	Very high	93.4	Very high	111 Å²	111	46.3 Å²	46.3	67%	0.673	23%	0.228	S	C	*	.	S	Bend	trans	-122.8	142.3	-176.8	-177.8	0	0	0	0	108.7	Y404 M408	Y404-V406 VanDerWaalsContact C-N 3.29Å; V406-M408 PolarHBondContact O-N 2.8Å
407	E	96.1	Very high	93.4	Very high	89 Å²	89	52 Å²	52	42%	0.416	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-62.3	128.9	175.1	178.9	167.4	169.2	0	0	110	Q413 K427 Y428	E407-Q413 PolarHBondContact OE1-NE2 2.66Å; E407-K427 HydrophobicContact CG-CB 4.1Å; E407-K427 HydrophobicContact CG-CD 4.18Å; E407-K427 HydrophobicContact CG-CG 4.12Å; E407-K427 IonicContact OE1-NZ 3.94Å; E407-K427 WeakPolarHBondContact OE2-CE 3.36Å; E407-K427 IonicContact OE2-NZ 2.75Å; E407-K427 PolarHBondContact OE2-NZ 2.74Å; E407-Y428 HydrophobicContact CB-CD1 4.27Å; E407-Y428 HydrophobicContact CB-CE1 3.71Å
408	M	95.4	Very high	93.1	Very high	9 Å²	9	55 Å²	55	4%	0.044	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-72.9	153.1	177.7	-62	-178.6	-67.4	0	0	110.6	Y404 V406 Q413 K427 Y429 Y437	Y404-M408 HydrophobicContact CD2-SD 4.48Å; V406-M408 PolarHBondContact O-N 2.8Å; M408-Q413 HydrophobicContact CB-CG 4.18Å; M408-Q413 HydrophobicContact CE-CG 4.42Å; M408-Q413 PolarHBondContact O-NE2 3.36Å; M408-K427 PolarHBondContact N-O 3.5Å; M408-Y429 VanDerWaalsContact CE-C 3.42Å; M408-Y429 WeakPolarHBondContact CE-O 3.26Å; M408-Y437 HydrophobicContact CG-CD1 4.41Å; M408-Y437 HydrophobicContact CG-CE1 4.45Å; M408-Y437 HydrophobicContact SD-CD1 3.62Å; M408-Y437 HydrophobicContact SD-CD2 4.44Å; M408-Y437 HydrophobicContact SD-CE1 4.22Å; M408-Y437 HydrophobicContact SD-CG 3.73Å
409	Q	96.9	Very high	92.8	Very high	120 Å²	120	52.8 Å²	52.8	56%	0.561	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-61	142.8	173.9	-55.6	-176	6.6	0	0	110.5	Q411 F412 Q413	Q409-Q411 VanDerWaalsContact CB-OE1 3.23Å; Q409-Q411 PolarHBondContact O-N 3.37Å; Q409-F412 HydrophobicContact CB-CD2 4.11Å; Q409-F412 PolarHBondContact O-N 3.33Å; Q409-Q413 PolarHBondContact O-N 3.02Å
410	P	97.7	Very high	92.5	Very high	59 Å²	59	60.4 Å²	60.4	38%	0.383	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-49.8	-36.4	-173.4	-33.1	38.1	0	0	0	115.5	S264 V266 F269 F412 Q413	S264-P410 WeakPolarHBondContact CB-O 3.38Å; S264-P410 PolarHBondContact OG-O 2.76Å; V266-P410 HydrophobicContact CG2-CB 3.79Å; V266-P410 WeakPolarHBondContact CG2-O 3.36Å; F269-P410 HydrophobicContact CE1-CB 3.74Å; F269-P410 HydrophobicContact CE2-CB 4.21Å; F269-P410 HydrophobicContact CZ-CB 3.37Å; P410-F412 PolarHBondContact O-N 2.99Å; P410-Q413 PolarHBondContact O-N 2.88Å
411	Q	97.4	Very high	92.4	Very high	38 Å²	38	60.3 Å²	60.3	18%	0.178	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-69.1	-14.3	178.8	72.6	-84.4	21.6	0	0	114.7	W262 F269 V271 Q409 F414	W262-Q411 PolarHBondContact NE1-O 3.33Å; F269-Q411 HydrophobicContact CB-CB 3.86Å; F269-Q411 HydrophobicContact CD1-CB 4.14Å; F269-Q411 HydrophobicContact CD2-CB 3.78Å; F269-Q411 HydrophobicContact CE2-CB 4.42Å; F269-Q411 HydrophobicContact CG-CB 3.63Å; V271-Q411 HydrophobicContact CG2-CB 4.31Å; V271-Q411 HydrophobicContact CG2-CG 4.17Å; Q409-Q411 VanDerWaalsContact CB-OE1 3.23Å; Q409-Q411 PolarHBondContact O-N 3.37Å; Q411-F414 VanDerWaalsContact O-CE1 3.22Å; Q411-F414 WeakPolarHBondContact O-CE1 3.25Å; Q411-F414 WeakPolarHBondContact O-CZ 3.34Å
412	F	97.1	Very high	92.3	Very high	23 Å²	23	62.5 Å²	62.5	10%	0.101	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-107.7	1	177.2	-59.5	-55	0	0	0	113.3	Q409 P410 F414 D436 Y437	Q409-F412 HydrophobicContact CB-CD2 4.11Å; Q409-F412 PolarHBondContact O-N 3.33Å; P410-F412 PolarHBondContact O-N 2.99Å; F412-F414 HydrophobicContact CD1-CZ 4.28Å; F412-F414 PolarHBondContact O-N 3.47Å; F412-F414 VanDerWaalsContact O-N 3.11Å; F412-D436 HydrophobicContact CD1-CB 4.14Å; F412-D436 WeakPolarHBondContact CD1-O 3.31Å; F412-D436 HydrophobicContact CE1-CB 3.9Å; F412-Y437 HydrophobicContact CB-CD2 3.67Å; F412-Y437 HydrophobicContact CB-CE2 4.37Å; F412-Y437 HydrophobicContact CB-CG 4.34Å; F412-Y437 HydrophobicContact CD1-CD2 4.25Å; F412-Y437 HydrophobicContact CD2-CD2 4.12Å; F412-Y437 HydrophobicContact CD2-CE2 4.13Å; F412-Y437 AromaticContact CG-CD2 3.77Å; F412-Y437 HydrophobicContact CG-CD2 3.77Å; F412-Y437 HydrophobicContact CG-CE2 4.26Å
413	Q	96.6	Very high	92.4	Very high	17 Å²	17	62.6 Å²	62.6	8%	0.079	34%	0.338	C	S	.	.			trans	-80.5	91.9	176.1	-62.2	-175.2	17.9	0	0	110.2	S264 A265 V266 E407 M408 Q409 P410 K427	S264-Q413 WeakPolarHBondContact CB-O 3.42Å; A265-Q413 VanDerWaalsContact CB-O 3.31Å; A265-Q413 WeakPolarHBondContact CB-O 3.47Å; A265-Q413 PolarHBondContact N-O 3.14Å; V266-Q413 HydrophobicContact CG1-CB 4.25Å; V266-Q413 HydrophobicContact CG2-CB 4.29Å; E407-Q413 PolarHBondContact OE1-NE2 2.66Å; M408-Q413 HydrophobicContact CB-CG 4.18Å; M408-Q413 HydrophobicContact CE-CG 4.42Å; M408-Q413 PolarHBondContact O-NE2 3.36Å; Q409-Q413 PolarHBondContact O-N 3.02Å; P410-Q413 PolarHBondContact O-N 2.88Å; Q413-K427 HydrophobicContact CG-CB 4.47Å
414	F	95.6	Very high	92.3	Very high	2 Å²	2	62 Å²	62	1%	0.009	34%	0.339	C	S	.	.			trans	-100.6	-8.4	-174.8	-57.7	-44.7	0	0	0	115.2	W262 C363 Y364 Q411 F412 D416 D436 C438	W262-F414 AromaticContact NE1-CE1 3.89Å; W262-F414 AromaticContact NE1-CZ 3.63Å; C363-F414 WeakPolarHBondContact SG-CD2 3.39Å; C363-F414 WeakPolarHBondContact SG-CE2 3.45Å; Y364-F414 VanDerWaalsContact CB-CD1 3.48Å; Y364-F414 HydrophobicContact CD2-CB 4.34Å; Y364-F414 WeakPolarHBondContact CD2-O 3.13Å; Y364-F414 WeakPolarHBondContact CE2-O 3.44Å; Y364-F414 HydrophobicContact CG-CD1 4.33Å; Q411-F414 VanDerWaalsContact O-CE1 3.22Å; Q411-F414 WeakPolarHBondContact O-CE1 3.25Å; Q411-F414 WeakPolarHBondContact O-CZ 3.34Å; F412-F414 HydrophobicContact CD1-CZ 4.28Å; F412-F414 PolarHBondContact O-N 3.47Å; F412-F414 VanDerWaalsContact O-N 3.11Å; F414-D416 PolarHBondContact O-N 3.37Å; F414-D436 VanDerWaalsContact CE2-O 3.23Å; F414-D436 WeakPolarHBondContact CE2-O 3.47Å; F414-C438 VanDerWaalsContact CE2-SG 3.6Å
415	M	93.8	Very high	92.3	Very high	5 Å²	5	63.8 Å²	63.8	3%	0.025	35%	0.348	C	S	.	.			trans	-74.1	122.3	-177.9	-52.6	-61.7	121.5	0	0	110.3	A265 V401 F419 R426 Y429 P439	A265-M415 WeakPolarHBondContact CB-O 3.34Å; V401-M415 HydrophobicContact CG1-SD 4.04Å; M415-F419 HydrophobicContact CB-CB 4.46Å; M415-F419 HydrophobicContact CB-CD2 4.12Å; M415-F419 HydrophobicContact CB-CG 4.3Å; M415-F419 HydrophobicContact CE-CE1 4.04Å; M415-F419 HydrophobicContact CE-CE2 4.45Å; M415-F419 HydrophobicContact CE-CZ 3.98Å; M415-F419 HydrophobicContact CG-CG 4.5Å; M415-F419 HydrophobicContact SD-CB 4.28Å; M415-F419 HydrophobicContact SD-CD1 3.33Å; M415-F419 WeakPolarHBondContact SD-CD1 3.16Å; M415-F419 HydrophobicContact SD-CD2 3.79Å; M415-F419 HydrophobicContact SD-CE1 3.4Å; M415-F419 WeakPolarHBondContact SD-CE1 3.28Å; M415-F419 HydrophobicContact SD-CE2 3.84Å; M415-F419 HydrophobicContact SD-CG 3.52Å; M415-F419 VanDerWaalsContact SD-CG 3.52Å; M415-F419 HydrophobicContact SD-CZ 3.65Å; M415-R426 HydrophobicContact CB-CB 3.91Å; M415-R426 HydrophobicContact CB-CG 3.91Å; M415-R426 WeakPolarHBondContact O-CD 3.01Å; M415-Y429 WeakPolarHBondContact CG-O 3.5Å; M415-P439 HydrophobicContact CE-CG 3.4Å; M415-P439 VanDerWaalsContact CE-CG 3.4Å
416	D	91.3	Very high	92.3	Very high	11 Å²	11	59.2 Å²	59.2	6%	0.059	32%	0.318	C	S	.	.			trans	-116.3	-161.6	171	72.3	4.1	0	0	0	111.5	A265 Y364 K368 F414 L418 F419 R426	A265-D416 HydrophobicContact CB-CB 4.37Å; Y364-D416 HydrophobicContact CE2-CB 3.97Å; Y364-D416 WeakPolarHBondContact CE2-OD2 3.3Å; Y364-D416 PolarHBondContact OH-OD2 3.28Å; K368-D416 IonicContact NZ-OD2 3.9Å; K368-D416 PolarHBondContact NZ-OD2 3.38Å; F414-D416 PolarHBondContact O-N 3.37Å; D416-L418 PolarHBondContact O-N 2.88Å; D416-L418 VanDerWaalsContact O-N 3.16Å; D416-L418 WeakPolarHBondContact OD1-CB 3.44Å; D416-L418 VanDerWaalsContact OD1-CG 3.3Å; D416-L418 WeakPolarHBondContact OD1-CG 3.47Å; D416-L418 PolarHBondContact OD1-N 3.3Å; D416-F419 PolarHBondContact O-N 3.45Å; D416-R426 PolarHBondContact O-NE 3.42Å
417	N	88.3	Confident	92.4	Very high	119 Å²	119	57 Å²	57	64%	0.636	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-8.3	179.7	65.3	-31.6	0	0	0	114.8	F419	N417-F419 VanDerWaalsContact C-N 3.31Å
418	L	82.3	Confident	92.4	Very high	64 Å²	64	56 Å²	56	34%	0.335	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-21.2	174.2	-61.2	171.1	0	0	0	112.5	Q371 D416	Q371-L418 VanDerWaalsContact OE1-CD1 3.31Å; D416-L418 PolarHBondContact O-N 2.88Å; D416-L418 VanDerWaalsContact O-N 3.16Å; D416-L418 WeakPolarHBondContact OD1-CB 3.44Å; D416-L418 VanDerWaalsContact OD1-CG 3.3Å; D416-L418 WeakPolarHBondContact OD1-CG 3.47Å; D416-L418 PolarHBondContact OD1-N 3.3Å
419	F	82.5	Confident	92.4	Very high	11 Å²	11	57.5 Å²	57.5	5%	0.048	30%	0.297	C	S	.	.	S	Bend	trans	-89.9	136.3	177.6	-64.2	-94.9	0	0	0	109.7	N382 V401 M415 D416 N417 V421 P439	N382-F419 VanDerWaalsContact C-CE1 3.5Å; N382-F419 HydrophobicContact CB-CZ 4.21Å; N382-F419 WeakPolarHBondContact O-CD1 3.24Å; N382-F419 WeakPolarHBondContact O-CE1 3.48Å; V401-F419 HydrophobicContact CG2-CD1 4.4Å; V401-F419 HydrophobicContact CG2-CE1 4.08Å; M415-F419 HydrophobicContact CB-CB 4.46Å; M415-F419 HydrophobicContact CB-CD2 4.12Å; M415-F419 HydrophobicContact CB-CG 4.3Å; M415-F419 HydrophobicContact CE-CE1 4.04Å; M415-F419 HydrophobicContact CE-CE2 4.45Å; M415-F419 HydrophobicContact CE-CZ 3.98Å; M415-F419 HydrophobicContact CG-CG 4.5Å; M415-F419 HydrophobicContact SD-CB 4.28Å; M415-F419 HydrophobicContact SD-CD1 3.33Å; M415-F419 WeakPolarHBondContact SD-CD1 3.16Å; M415-F419 HydrophobicContact SD-CD2 3.79Å; M415-F419 HydrophobicContact SD-CE1 3.4Å; M415-F419 WeakPolarHBondContact SD-CE1 3.28Å; M415-F419 HydrophobicContact SD-CE2 3.84Å; M415-F419 HydrophobicContact SD-CG 3.52Å; M415-F419 VanDerWaalsContact SD-CG 3.52Å; M415-F419 HydrophobicContact SD-CZ 3.65Å; D416-F419 PolarHBondContact O-N 3.45Å; N417-F419 VanDerWaalsContact C-N 3.31Å; F419-V421 HydrophobicContact CB-CG2 4.3Å; F419-V421 PolarHBondContact O-N 3Å; F419-P439 HydrophobicContact CE1-CB 4.42Å; F419-P439 HydrophobicContact CE1-CG 3.91Å; F419-P439 HydrophobicContact CZ-CG 3.93Å
420	N	83.9	Confident	92.2	Very high	159 Å²	159	51.8 Å²	51.8	85%	0.85	27%	0.271	S	S	*	.	S	Bend	trans	-74	60.7	174.8	-169.7	25.3	0	0	0	111.3
421	V	86.4	Confident	92	Very high	14 Å²	14	49 Å²	49	9%	0.085	25%	0.252	C	S	.	.	S	Bend	trans	-136.4	131.3	-178.2	-179.6	0	0	0	0	107.9	F419 K425 R426 Y429	F419-V421 HydrophobicContact CB-CG2 4.3Å; F419-V421 PolarHBondContact O-N 3Å; V421-K425 HydrophobicContact CG1-CB 3.9Å; V421-R426 HydrophobicContact CB-CG 4.33Å; V421-R426 HydrophobicContact CG1-CG 4.12Å; V421-R426 PolarHBondContact O-NE 3.31Å; V421-Y429 HydrophobicContact CG1-CD1 4.37Å; V421-Y429 HydrophobicContact CG1-CD2 3.51Å; V421-Y429 HydrophobicContact CG1-CE2 3.65Å; V421-Y429 HydrophobicContact CG1-CG 3.87Å; V421-Y429 HydrophobicContact CG2-CD1 3.77Å; V421-Y429 HydrophobicContact CG2-CD2 4.4Å; V421-Y429 HydrophobicContact CG2-CE1 3.97Å; V421-Y429 HydrophobicContact CG2-CG 3.98Å
422	S	90.4	Very high	91.8	Very high	54 Å²	54	48.4 Å²	48.4	38%	0.378	25%	0.251	S	S	.	.			trans	-59.5	145.1	177.7	68.7	0	0	0	0	111.5	D424 K425 R426	S422-D424 VanDerWaalsContact C-N 3.27Å; S422-D424 WeakPolarHBondContact CB-OD1 3.48Å; S422-D424 PolarHBondContact O-N 2.74Å; S422-D424 PolarHBondContact OG-OD1 3.32Å; S422-K425 PolarHBondContact O-N 2.95Å; S422-K425 WeakPolarHBondContact OG-CD 3.37Å; S422-K425 VanDerWaalsContact OG-CG 3.3Å; S422-K425 WeakPolarHBondContact OG-CG 3.25Å; S422-R426 PolarHBondContact O-N 3.04Å
423	A	91.5	Very high	91.5	Very high	71 Å²	71	50.3 Å²	50.3	59%	0.587	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-39.3	-170.3	0	0	0	0	0	113	K425 R426	A423-K425 VanDerWaalsContact C-N 3.26Å; A423-K425 PolarHBondContact O-N 3.02Å; A423-R426 PolarHBondContact O-N 3.08Å
424	D	92.7	Very high	91.2	Very high	104 Å²	104	50.1 Å²	50.1	56%	0.556	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-25.7	176.7	62.1	-55.1	0	0	0	113.6	S422	S422-D424 VanDerWaalsContact C-N 3.27Å; S422-D424 WeakPolarHBondContact CB-OD1 3.48Å; S422-D424 PolarHBondContact O-N 2.74Å; S422-D424 PolarHBondContact OG-OD1 3.32Å
425	K	94.2	Very high	91.2	Very high	95 Å²	95	50 Å²	50	41%	0.413	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-17.5	-177.8	-67.1	-175.5	-175.6	-179.6	0	113.7	V421 S422 A423 K427 Y428 Y429	V421-K425 HydrophobicContact CG1-CB 3.9Å; S422-K425 PolarHBondContact O-N 2.95Å; S422-K425 WeakPolarHBondContact OG-CD 3.37Å; S422-K425 VanDerWaalsContact OG-CG 3.3Å; S422-K425 WeakPolarHBondContact OG-CG 3.25Å; A423-K425 VanDerWaalsContact C-N 3.26Å; A423-K425 PolarHBondContact O-N 3.02Å; K425-K427 PolarHBondContact O-N 2.83Å; K425-Y428 WeakPolarHBondContact O-CB 3.41Å; K425-Y428 PolarHBondContact O-N 2.89Å; K425-Y429 HydrophobicContact CB-CD2 4.34Å; K425-Y429 HydrophobicContact CB-CE2 4.01Å; K425-Y429 WeakPolarHBondContact O-CD2 3.25Å
426	R	94.7	Very high	91.2	Very high	68 Å²	68	51 Å²	51	26%	0.257	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-52	-34.1	-174.5	-76.6	176.1	-168.6	159.8	3.6	114.2	M415 D416 V421 S422 A423 Y428 Y429	M415-R426 HydrophobicContact CB-CB 3.91Å; M415-R426 HydrophobicContact CB-CG 3.91Å; M415-R426 WeakPolarHBondContact O-CD 3.01Å; D416-R426 PolarHBondContact O-NE 3.42Å; V421-R426 HydrophobicContact CB-CG 4.33Å; V421-R426 HydrophobicContact CG1-CG 4.12Å; V421-R426 PolarHBondContact O-NE 3.31Å; S422-R426 PolarHBondContact O-N 3.04Å; A423-R426 PolarHBondContact O-N 3.08Å; R426-Y428 PolarHBondContact O-N 3.26Å; R426-Y429 PolarHBondContact O-N 3.18Å; R426-Y429 VanDerWaalsContact O-N 3.08Å
427	K	95.9	Very high	91.4	Very high	65 Å²	65	53.4 Å²	53.4	28%	0.283	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-64.8	-13.2	177.6	67.7	-169.4	-168.1	149.6	0	115.2	E407 M408 Q413 K425	E407-K427 HydrophobicContact CG-CB 4.1Å; E407-K427 HydrophobicContact CG-CD 4.18Å; E407-K427 HydrophobicContact CG-CG 4.12Å; E407-K427 IonicContact OE1-NZ 3.94Å; E407-K427 WeakPolarHBondContact OE2-CE 3.36Å; E407-K427 IonicContact OE2-NZ 2.75Å; E407-K427 PolarHBondContact OE2-NZ 2.74Å; M408-K427 PolarHBondContact N-O 3.5Å; Q413-K427 HydrophobicContact CG-CB 4.47Å; K425-K427 PolarHBondContact O-N 2.83Å
428	Y	96.2	Very high	91.7	Very high	69 Å²	69	47.8 Å²	47.8	27%	0.271	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-105.2	-1	175.6	-58.1	-78.7	0	0	0	113.2	Q403 Y404 E407 K425 R426	Q403-Y428 CarbonylContact C-O 3.59Å; Q403-Y428 WeakPolarHBondContact CA-O 3.31Å; Y404-Y428 PolarHBondContact N-O 2.86Å; E407-Y428 HydrophobicContact CB-CD1 4.27Å; E407-Y428 HydrophobicContact CB-CE1 3.71Å; K425-Y428 WeakPolarHBondContact O-CB 3.41Å; K425-Y428 PolarHBondContact O-N 2.89Å; R426-Y428 PolarHBondContact O-N 3.26Å
429	Y	94.7	Very high	92.3	Very high	39 Å²	39	44.8 Å²	44.8	15%	0.153	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.8	-176	-82.2	-103.8	0	0	0	111.9	V401 Y402 Q403 M408 M415 V421 K425 R426	V401-Y429 HydrophobicContact CG1-CD1 4.11Å; Y402-Y429 VanDerWaalsContact O-CA 3.27Å; Y402-Y429 WeakPolarHBondContact O-CA 3.4Å; Q403-Y429 HydrophobicContact CB-CD1 4.27Å; Q403-Y429 HydrophobicContact CB-CD2 4.37Å; Q403-Y429 HydrophobicContact CB-CE1 3.81Å; Q403-Y429 HydrophobicContact CB-CE2 3.94Å; Q403-Y429 HydrophobicContact CG-CD2 4.17Å; Q403-Y429 HydrophobicContact CG-CE1 4.45Å; Q403-Y429 HydrophobicContact CG-CE2 3.65Å; Q403-Y429 PolarHBondContact OE1-OH 2.85Å; Q403-Y429 VanDerWaalsContact OE1-OH 3.12Å; M408-Y429 VanDerWaalsContact CE-C 3.42Å; M408-Y429 WeakPolarHBondContact CE-O 3.26Å; M415-Y429 WeakPolarHBondContact CG-O 3.5Å; V421-Y429 HydrophobicContact CG1-CD1 4.37Å; V421-Y429 HydrophobicContact CG1-CD2 3.51Å; V421-Y429 HydrophobicContact CG1-CE2 3.65Å; V421-Y429 HydrophobicContact CG1-CG 3.87Å; V421-Y429 HydrophobicContact CG2-CD1 3.77Å; V421-Y429 HydrophobicContact CG2-CD2 4.4Å; V421-Y429 HydrophobicContact CG2-CE1 3.97Å; V421-Y429 HydrophobicContact CG2-CG 3.98Å; K425-Y429 HydrophobicContact CB-CD2 4.34Å; K425-Y429 HydrophobicContact CB-CE2 4.01Å; K425-Y429 WeakPolarHBondContact O-CD2 3.25Å; R426-Y429 PolarHBondContact O-N 3.18Å; R426-Y429 VanDerWaalsContact O-N 3.08Å
430	G	94	Very high	92.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	166	-178.3	0	0	0	0	0	111.7	V401 Y402	V401-G430 CarbonylContact C-O 3.59Å; V401-G430 WeakPolarHBondContact CA-O 3.4Å; Y402-G430 PolarHBondContact N-O 2.9Å; Y402-G430 PolarHBondContact O-N 3.04Å
431	G	93.3	Very high	93.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-71.7	-170.1	160.7	0	0	0	0	0	111.2	Q400 Y404 Y437	Q400-G431 WeakPolarHBondContact O-CA 3.49Å; Y404-G431 PolarHBondContact OH-O 2.85Å; G431-Y437 PolarHBondContact N-O 2.82Å; G431-Y437 WeakPolarHBondContact O-CA 3.37Å
432	L	91.7	Very high	93.1	Very high	27 Å²	27	37.5 Å²	37.5	14%	0.141	19%	0.191	C	C	.	.			trans	-60.9	142.5	178.2	-62.6	172.1	0	0	0	111.7	F319 Y402 I434 F435 Y437	F319-L432 HydrophobicContact CE2-CD1 4.43Å; Y402-L432 HydrophobicContact CD2-CD2 4.09Å; Y402-L432 HydrophobicContact CE2-CD2 3.42Å; Y402-L432 VanDerWaalsContact CE2-CD2 3.42Å; Y402-L432 HydrophobicContact CE2-CG 3.94Å; L432-I434 VanDerWaalsContact C-N 3.25Å; L432-I434 HydrophobicContact CB-CG1 3.84Å; L432-I434 HydrophobicContact CD1-CD1 4.16Å; L432-I434 HydrophobicContact CD1-CG1 4.28Å; L432-I434 PolarHBondContact O-N 3.01Å; L432-F435 HydrophobicContact CB-CD2 4.19Å; L432-F435 HydrophobicContact CD1-CD2 4.34Å; L432-F435 HydrophobicContact CD1-CE2 4.38Å; L432-F435 PolarHBondContact O-N 3.23Å; L432-Y437 WeakPolarHBondContact O-CA 3.22Å; L432-Y437 PolarHBondContact O-N 3.27Å
433	N	91.4	Very high	92.8	Very high	63 Å²	63	36.8 Å²	36.8	34%	0.337	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-55.7	-37.2	176.2	61.7	-20.7	0	0	0	112.6	E20 Y404 F435 D436 Y437	E20-N433 PolarHBondContact OE1-OD1 2.95Å; Y404-N433 PolarHBondContact OH-N 2.92Å; N433-F435 PolarHBondContact O-N 3.29Å; N433-D436 PolarHBondContact O-N 2.93Å; N433-Y437 HydrophobicContact CB-CD1 4.47Å; N433-Y437 HydrophobicContact CB-CE1 3.88Å
434	I	91.3	Very high	92.4	Very high	13 Å²	13	33.9 Å²	33.9	7%	0.067	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-61.5	-23.9	178.4	58.1	168	0	0	0	112.7	H306 L432	H306-I434 HydrophobicContact CB-CB 4.37Å; H306-I434 WeakPolarHBondContact CB-O 3.27Å; L432-I434 VanDerWaalsContact C-N 3.25Å; L432-I434 HydrophobicContact CB-CG1 3.84Å; L432-I434 HydrophobicContact CD1-CD1 4.16Å; L432-I434 HydrophobicContact CD1-CG1 4.28Å; L432-I434 PolarHBondContact O-N 3.01Å
435	F	94.5	Very high	91.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-98.8	26.6	174.5	-69.9	-79	0	0	0	112.5	H306 F319 W350 L432 N433 Y437 C438 V440	H306-F435 HydrophobicContact CB-CD1 4.02Å; H306-F435 HydrophobicContact CB-CE1 3.9Å; H306-F435 HydrophobicContact CB-CG 4.47Å; H306-F435 HydrophobicContact CB-CZ 4.23Å; H306-F435 AromaticContact ND1-CZ 3.81Å; H306-F435 WeakPolarHBondContact O-CD1 3.47Å; H306-F435 WeakPolarHBondContact O-CE1 3.39Å; F319-F435 HydrophobicContact CB-CZ 4.34Å; F319-F435 HydrophobicContact CD1-CE2 4.17Å; F319-F435 AromaticContact CD1-CZ 3.57Å; F319-F435 HydrophobicContact CD1-CZ 3.57Å; F319-F435 AromaticContact CD2-CE2 3.7Å; F319-F435 HydrophobicContact CD2-CE2 3.7Å; F319-F435 AromaticContact CD2-CZ 3.94Å; F319-F435 HydrophobicContact CD2-CZ 3.94Å; F319-F435 HydrophobicContact CE1-CE2 4.18Å; F319-F435 AromaticContact CE1-CZ 3.74Å; F319-F435 HydrophobicContact CE1-CZ 3.74Å; F319-F435 AromaticContact CE2-CE2 3.7Å; F319-F435 HydrophobicContact CE2-CE2 3.7Å; F319-F435 HydrophobicContact CE2-CZ 4.08Å; F319-F435 AromaticContact CG-CE2 3.94Å; F319-F435 HydrophobicContact CG-CE2 3.94Å; F319-F435 AromaticContact CG-CZ 3.69Å; F319-F435 HydrophobicContact CG-CZ 3.69Å; F319-F435 AromaticContact CZ-CE2 3.95Å; F319-F435 HydrophobicContact CZ-CE2 3.95Å; F319-F435 AromaticContact CZ-CZ 3.99Å; F319-F435 HydrophobicContact CZ-CZ 3.99Å; W350-F435 HydrophobicContact CH2-CD1 4.39Å; W350-F435 AromaticContact CH2-CE1 3.7Å; W350-F435 HydrophobicContact CH2-CE1 3.7Å; W350-F435 HydrophobicContact CH2-CZ 4.22Å; W350-F435 HydrophobicContact CZ2-CD1 4.15Å; W350-F435 AromaticContact CZ2-CE1 3.59Å; W350-F435 HydrophobicContact CZ2-CE1 3.59Å; L432-F435 HydrophobicContact CB-CD2 4.19Å; L432-F435 HydrophobicContact CD1-CD2 4.34Å; L432-F435 HydrophobicContact CD1-CE2 4.38Å; L432-F435 PolarHBondContact O-N 3.23Å; N433-F435 PolarHBondContact O-N 3.29Å; F435-Y437 PolarHBondContact O-N 2.66Å; F435-C438 HydrophobicContact CB-CB 4.28Å; F435-C438 WeakPolarHBondContact O-CB 3.27Å; F435-C438 PolarHBondContact O-N 2.74Å; F435-C438 PolarHBondContact O-SG 3.04Å; F435-C438 VanDerWaalsContact O-SG 3.34Å; F435-V440 HydrophobicContact CB-CG1 4.28Å; F435-V440 HydrophobicContact CD1-CG1 3.95Å; F435-V440 HydrophobicContact CD2-CG1 4.3Å; F435-V440 HydrophobicContact CD2-CG2 3.75Å; F435-V440 HydrophobicContact CE1-CG1 4.36Å; F435-V440 HydrophobicContact CE2-CG2 3.89Å; F435-V440 HydrophobicContact CG-CG1 3.93Å; F435-V440 HydrophobicContact CG-CG2 4.23Å; F435-V440 HydrophobicContact CZ-CG2 4.46Å
436	D	94.2	Very high	90.9	Very high	26 Å²	26	29.2 Å²	29.2	14%	0.139	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	33.1	-172.6	-72	-39	0	0	0	112.7	R273 R307 F412 F414 N433 C438	R273-D436 IonicContact CZ-OD1 3.29Å; R273-D436 IonicContact CZ-OD2 3.81Å; R273-D436 IonicContact NE-OD2 3.66Å; R273-D436 IonicContact NH2-OD1 3.21Å; R273-D436 PolarHBondContact NH2-OD1 3.33Å; R273-D436 IonicContact NH2-OD2 3.41Å; R273-D436 PolarHBondContact NH2-OD2 3Å; R307-D436 WeakPolarHBondContact CD-OD2 3.31Å; F412-D436 HydrophobicContact CD1-CB 4.14Å; F412-D436 WeakPolarHBondContact CD1-O 3.31Å; F412-D436 HydrophobicContact CE1-CB 3.9Å; F414-D436 VanDerWaalsContact CE2-O 3.23Å; F414-D436 WeakPolarHBondContact CE2-O 3.47Å; N433-D436 PolarHBondContact O-N 2.93Å; D436-C438 PolarHBondContact O-N 3.37Å
437	Y	95	Very high	89.6	Confident	61 Å²	61	34.3 Å²	34.3	24%	0.239	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	16.6	-174.4	-50.7	-86.9	0	0	0	114.6	Y404 M408 F412 G431 L432 N433 F435 P439	Y404-Y437 HydrophobicContact CD1-CE1 4.43Å; Y404-Y437 HydrophobicContact CE1-CD1 4.45Å; Y404-Y437 AromaticContact CE1-CE1 3.96Å; Y404-Y437 HydrophobicContact CE1-CE1 3.96Å; Y404-Y437 AromaticContact CE2-CD1 3.86Å; Y404-Y437 HydrophobicContact CE2-CD1 3.86Å; Y404-Y437 HydrophobicContact CE2-CE1 4.14Å; Y404-Y437 AromaticContact CZ-CD1 3.84Å; Y404-Y437 AromaticContact CZ-CE1 3.8Å; M408-Y437 HydrophobicContact CG-CD1 4.41Å; M408-Y437 HydrophobicContact CG-CE1 4.45Å; M408-Y437 HydrophobicContact SD-CD1 3.62Å; M408-Y437 HydrophobicContact SD-CD2 4.44Å; M408-Y437 HydrophobicContact SD-CE1 4.22Å; M408-Y437 HydrophobicContact SD-CG 3.73Å; F412-Y437 HydrophobicContact CB-CD2 3.67Å; F412-Y437 HydrophobicContact CB-CE2 4.37Å; F412-Y437 HydrophobicContact CB-CG 4.34Å; F412-Y437 HydrophobicContact CD1-CD2 4.25Å; F412-Y437 HydrophobicContact CD2-CD2 4.12Å; F412-Y437 HydrophobicContact CD2-CE2 4.13Å; F412-Y437 AromaticContact CG-CD2 3.77Å; F412-Y437 HydrophobicContact CG-CD2 3.77Å; F412-Y437 HydrophobicContact CG-CE2 4.26Å; G431-Y437 PolarHBondContact N-O 2.82Å; G431-Y437 WeakPolarHBondContact O-CA 3.37Å; L432-Y437 WeakPolarHBondContact O-CA 3.22Å; L432-Y437 PolarHBondContact O-N 3.27Å; N433-Y437 HydrophobicContact CB-CD1 4.47Å; N433-Y437 HydrophobicContact CB-CE1 3.88Å; F435-Y437 PolarHBondContact O-N 2.66Å; Y437-P439 WeakPolarHBondContact O-CD 3.17Å
438	C	95.4	Very high	88.3	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.			trans	-71.7	127.9	171.6	-70.2	0	0	0	0	111.5	C363 F380 F414 F435 D436 V440	C363-C438 HydrophobicContact CB-CB 3.56Å; C363-C438 WeakPolarHBondContact CB-SG 3.4Å; C363-C438 WeakPolarHBondContact SG-CA 3.11Å; C363-C438 WeakPolarHBondContact SG-CB 3.42Å; C363-C438 CovalentContact SG-SG 2.02Å; C363-C438 PolarHBondContact SG-SG 3.33Å; F380-C438 HydrophobicContact CD1-CB 3.86Å; F380-C438 HydrophobicContact CE1-CB 3.58Å; F414-C438 VanDerWaalsContact CE2-SG 3.6Å; F435-C438 HydrophobicContact CB-CB 4.28Å; F435-C438 WeakPolarHBondContact O-CB 3.27Å; F435-C438 PolarHBondContact O-N 2.74Å; F435-C438 PolarHBondContact O-SG 3.04Å; F435-C438 VanDerWaalsContact O-SG 3.34Å; D436-C438 PolarHBondContact O-N 3.37Å; C438-V440 PolarHBondContact O-N 3.38Å
439	P	94	Very high	87	Confident	1 Å²	1	40 Å²	40	1%	0.006	21%	0.212	C	C	.	.			trans	-65.6	121.8	172	-22.8	35.4	0	0	0	111	F380 C381 V401 M415 F419 Y437	F380-P439 CarbonylContact C-O 3.59Å; F380-P439 WeakPolarHBondContact CA-O 2.76Å; F380-P439 WeakPolarHBondContact CB-O 3.37Å; F380-P439 WeakPolarHBondContact CD1-O 3.41Å; C381-P439 PolarHBondContact N-O 2.9Å; C381-P439 WeakPolarHBondContact O-CB 3.47Å; C381-P439 VanDerWaalsContact SG-C 3.57Å; V401-P439 HydrophobicContact CG2-CB 3.78Å; V401-P439 HydrophobicContact CG2-CG 4.03Å; M415-P439 HydrophobicContact CE-CG 3.4Å; M415-P439 VanDerWaalsContact CE-CG 3.4Å; F419-P439 HydrophobicContact CE1-CB 4.42Å; F419-P439 HydrophobicContact CE1-CG 3.91Å; F419-P439 HydrophobicContact CZ-CG 3.93Å; Y437-P439 WeakPolarHBondContact O-CD 3.17Å
440	V	92.7	Very high	86.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	148.5	-179.2	-68.2	0	0	0	0	110.7	F319 W350 F380 C381 Q400 F435 C438	F319-V440 HydrophobicContact CE2-CG2 4.24Å; F319-V440 HydrophobicContact CZ-CB 4.46Å; F319-V440 HydrophobicContact CZ-CG2 3.79Å; W350-V440 HydrophobicContact CH2-CB 4.35Å; W350-V440 HydrophobicContact CH2-CG1 3.96Å; F380-V440 HydrophobicContact CD1-CG1 3.75Å; F380-V440 HydrophobicContact CE1-CG1 3.98Å; C381-V440 VanDerWaalsContact SG-C 3.57Å; Q400-V440 PolarHBondContact N-O 2.84Å; F435-V440 HydrophobicContact CB-CG1 4.28Å; F435-V440 HydrophobicContact CD1-CG1 3.95Å; F435-V440 HydrophobicContact CD2-CG1 4.3Å; F435-V440 HydrophobicContact CD2-CG2 3.75Å; F435-V440 HydrophobicContact CE1-CG1 4.36Å; F435-V440 HydrophobicContact CE2-CG2 3.89Å; F435-V440 HydrophobicContact CG-CG1 3.93Å; F435-V440 HydrophobicContact CG-CG2 4.23Å; F435-V440 HydrophobicContact CZ-CG2 4.46Å; C438-V440 PolarHBondContact O-N 3.38Å
441	L	91	Very high	85.5	Confident	8 Å²	8	48.4 Å²	48.4	4%	0.042	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	130.9	168	-67.9	-179.6	0	0	0	109.7	K378 P379 C381 K388 I390 Y398 C399	K378-L441 HydrophobicContact CD-CD1 3.59Å; K378-L441 HydrophobicContact CG-CD1 3.57Å; P379-L441 PolarHBondContact O-N 3.26Å; C381-L441 HydrophobicContact CB-CD2 3.72Å; C381-L441 HydrophobicContact CB-CG 4.06Å; K388-L441 HydrophobicContact CB-CD1 4.01Å; K388-L441 HydrophobicContact CB-CD2 4.25Å; K388-L441 HydrophobicContact CD-CD1 4.32Å; K388-L441 HydrophobicContact CD-CD2 4.41Å; K388-L441 HydrophobicContact CG-CD2 4.46Å; I390-L441 HydrophobicContact CD1-CB 4.45Å; I390-L441 HydrophobicContact CG1-CD1 4.38Å; Y398-L441 WeakPolarHBondContact O-CA 3.46Å; C399-L441 HydrophobicContact CB-CD2 4.22Å
442	T	86.3	Confident	85	Confident	23 Å²	23	50.3 Å²	50.3	14%	0.141	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	142.2	170.2	-64.8	0	0	0	0	109.6	F319 G397 Y398 Q400 A444	F319-T442 HydrophobicContact CE2-CG2 4.42Å; F319-T442 VanDerWaalsContact CE2-OG1 3.25Å; F319-T442 WeakPolarHBondContact CE2-OG1 3.33Å; F319-T442 VanDerWaalsContact CZ-OG1 3.25Å; F319-T442 WeakPolarHBondContact CZ-OG1 3.18Å; G397-T442 CarbonylContact C-O 3.59Å; G397-T442 WeakPolarHBondContact CA-O 3.16Å; Y398-T442 WeakPolarHBondContact CD1-O 3.46Å; Y398-T442 HydrophobicContact CE1-CG2 4.04Å; Y398-T442 PolarHBondContact N-O 2.93Å; Y398-T442 PolarHBondContact O-N 3.24Å; Q400-T442 PolarHBondContact NE2-OG1 3.48Å; Q400-T442 PolarHBondContact OE1-OG1 2.93Å; T442-A444 PolarHBondContact O-N 3Å
443	V	84.7	Confident	84.7	Confident	39 Å²	39	52 Å²	52	24%	0.236	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	125.9	174.6	178.1	0	0	0	0	109.6	I390 V395 T445 P451	I390-V443 HydrophobicContact CD1-CG2 4.45Å; V395-V443 HydrophobicContact CB-CG1 4.2Å; V395-V443 HydrophobicContact CG2-CG1 4.31Å; V395-V443 HydrophobicContact CG2-CG2 4.01Å; V443-T445 HydrophobicContact CG1-CG2 4.49Å; V443-P451 HydrophobicContact CG1-CB 3.8Å; V443-P451 HydrophobicContact CG1-CG 4.31Å
444	A	83.8	Confident	84.3	Confident	10 Å²	10	49.9 Å²	49.9	8%	0.083	27%	0.269	C	S	.	.			trans	-75.7	132.6	171.2	0	0	0	0	0	108.7	L396 Y398 T442 L452	L396-A444 HydrophobicContact CB-CB 4.45Å; L396-A444 WeakPolarHBondContact O-CB 3.15Å; L396-A444 PolarHBondContact O-N 2.84Å; Y398-A444 HydrophobicContact CD1-CB 4.01Å; T442-A444 PolarHBondContact O-N 3Å; A444-L452 HydrophobicContact CB-CB 4.41Å; A444-L452 HydrophobicContact CB-CD1 3.93Å; A444-L452 PolarHBondContact O-N 2.98Å
445	T	79.4	Confident	83.7	Confident	63 Å²	63	55.1 Å²	55.1	39%	0.387	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-118.3	152.2	179.9	55	0	0	0	0	110.9	V443 K450	V443-T445 HydrophobicContact CG1-CG2 4.49Å; T445-K450 CarbonylContact C-O 3.49Å; T445-K450 WeakPolarHBondContact CA-O 3.44Å
446	S	74.3	Confident	82.3	Confident	39 Å²	39	55.9 Å²	55.9	27%	0.273	30%	0.298	S	S	.	.			trans	-70.8	176.1	167.7	72.1	0	0	0	0	111.1	D448 D449 K450	S446-D448 PolarHBondContact O-N 3.01Å; S446-D448 PolarHBondContact OG-N 3.07Å; S446-D449 PolarHBondContact O-N 2.81Å; S446-K450 PolarHBondContact N-O 3.43Å; S446-K450 PolarHBondContact OG-N 2.95Å
447	M	67.7	Low	80.6	Confident	175 Å²	175	59.1 Å²	59.1	86%	0.862	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.2	174	-59.9	-165.9	-151.3	0	0	113.3	D449	M447-D449 VanDerWaalsContact C-N 3.27Å; M447-D449 PolarHBondContact O-N 3.01Å
448	D	69	Low	78.7	Confident	127 Å²	127	60.3 Å²	60.3	68%	0.679	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	17.8	175.7	-57.7	-44.7	0	0	0	113	S446 K450	S446-D448 PolarHBondContact O-N 3.01Å; S446-D448 PolarHBondContact OG-N 3.07Å; D448-K450 HydrophobicContact CB-CG 4.47Å; D448-K450 PolarHBondContact O-N 3.11Å; D448-K450 VanDerWaalsContact O-N 3.11Å
449	D	69.2	Low	76.6	Confident	126 Å²	126	65.6 Å²	65.6	67%	0.674	36%	0.364	S	S	*	.	S	Bend	trans	59.1	18.6	-176.5	-71.7	-41.4	0	0	0	115.2	S446 M447	S446-D449 PolarHBondContact O-N 2.81Å; M447-D449 VanDerWaalsContact C-N 3.27Å; M447-D449 PolarHBondContact O-N 3.01Å
450	K	75.8	Confident	74.4	Confident	137 Å²	137	68.1 Å²	68.1	60%	0.596	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-83.2	134.3	175.7	-66.2	-178.4	-178.3	171.5	0	110.9	T445 S446 D448 L452	T445-K450 CarbonylContact C-O 3.49Å; T445-K450 WeakPolarHBondContact CA-O 3.44Å; S446-K450 PolarHBondContact N-O 3.43Å; S446-K450 PolarHBondContact OG-N 2.95Å; D448-K450 HydrophobicContact CB-CG 4.47Å; D448-K450 PolarHBondContact O-N 3.11Å; D448-K450 VanDerWaalsContact O-N 3.11Å; K450-L452 PolarHBondContact O-N 2.72Å
451	P	80.1	Confident	71.8	Confident	78 Å²	78	75.8 Å²	75.8	51%	0.506	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-55.4	129.5	173.3	-26.2	35.2	0	0	0	112	V395 V443	V395-P451 HydrophobicContact CG1-CB 3.76Å; V443-P451 HydrophobicContact CG1-CB 3.8Å; V443-P451 HydrophobicContact CG1-CG 4.31Å
452	L	83.4	Confident	69.5	Low	40 Å²	40	77.6 Å²	77.6	21%	0.209	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-73.2	138.3	171.5	-66.6	176.2	0	0	0	109.4	V395 L396 A444 K450 L462	V395-L452 CarbonylContact C-O 3.45Å; V395-L452 VanDerWaalsContact CA-O 3.31Å; V395-L452 WeakPolarHBondContact CA-O 3.45Å; L396-L452 HydrophobicContact CB-CB 4.13Å; L396-L452 PolarHBondContact N-O 2.75Å; A444-L452 HydrophobicContact CB-CB 4.41Å; A444-L452 HydrophobicContact CB-CD1 3.93Å; A444-L452 PolarHBondContact O-N 2.98Å; K450-L452 PolarHBondContact O-N 2.72Å; L452-L462 HydrophobicContact CD1-CD2 3.72Å
453	T	85	Confident	67.1	Low	63 Å²	63	82.8 Å²	82.8	39%	0.387	49%	0.491	S	S	.	.	B	Isolated β-bridge	trans	-84.2	157.6	179.2	62.9	0	0	0	0	111.1	N394 E455 S456	N394-T453 WeakPolarHBondContact O-CA 3.4Å; T453-E455 PolarHBondContact O-N 3.2Å; T453-S456 WeakPolarHBondContact O-CB 3.36Å; T453-S456 PolarHBondContact O-N 3.43Å; T453-S456 PolarHBondContact O-OG 2.64Å
454	C	83.5	Confident	66.2	Low	18 Å²	18	85 Å²	85	12%	0.122	50%	0.503	C	S	.	.	H	α-helix	trans	-60.6	-25.6	175.5	-60.5	0	0	0	0	113.3	C389 N394 V395 S456 Q457	C389-C454 WeakPolarHBondContact CA-SG 3.33Å; C389-C454 HydrophobicContact CB-CB 3.74Å; C389-C454 WeakPolarHBondContact CB-SG 3.44Å; C389-C454 WeakPolarHBondContact SG-CB 3.4Å; C389-C454 CovalentContact SG-SG 2.02Å; C389-C454 PolarHBondContact SG-SG 2.97Å; N394-C454 VanDerWaalsContact C-SG 3.51Å; N394-C454 PolarHBondContact O-N 2.64Å; N394-C454 VanDerWaalsContact O-N 3.15Å; V395-C454 VanDerWaalsContact C-SG 3.57Å; V395-C454 PolarHBondContact O-SG 2.84Å; C454-S456 VanDerWaalsContact C-N 3.27Å; C454-S456 PolarHBondContact O-N 3.29Å; C454-Q457 WeakPolarHBondContact O-CB 3.29Å; C454-Q457 PolarHBondContact O-N 2.96Å
455	E	77.8	Confident	65.3	Low	124 Å²	124	88.9 Å²	88.9	58%	0.579	53%	0.526	S	S	*	.	H	α-helix	trans	-66.4	-26.2	175.5	-64.6	179.8	177.3	0	0	113.2	T453 Q457 A458 N459	T453-E455 PolarHBondContact O-N 3.2Å; E455-Q457 PolarHBondContact O-N 2.99Å; E455-A458 PolarHBondContact O-N 2.99Å; E455-A458 VanDerWaalsContact O-N 3.12Å; E455-N459 PolarHBondContact O-N 2.8Å
456	S	65.2	Low	64.5	Low	15 Å²	15	90.4 Å²	90.4	11%	0.105	53%	0.533	C	S	.	.	H	α-helix	trans	-60.8	-33.5	175.2	67.8	0	0	0	0	112.3	T453 C454	T453-S456 WeakPolarHBondContact O-CB 3.36Å; T453-S456 PolarHBondContact O-N 3.43Å; T453-S456 PolarHBondContact O-OG 2.64Å; C454-S456 VanDerWaalsContact C-N 3.27Å; C454-S456 PolarHBondContact O-N 3.29Å
457	Q	60.2	Low	63.9	Low	94 Å²	94	93.4 Å²	93.4	44%	0.439	55%	0.549	S	S	.	.	H	α-helix	trans	-68.8	-39.7	174.4	-170.3	-177	-1.5	0	0	111.7	L396 C454 E455 N459	L396-Q457 HydrophobicContact CD1-CB 3.97Å; L396-Q457 HydrophobicContact CD1-CG 4.4Å; L396-Q457 VanDerWaalsContact CD1-OE1 3.32Å; L396-Q457 HydrophobicContact CD2-CB 4.39Å; C454-Q457 WeakPolarHBondContact O-CB 3.29Å; C454-Q457 PolarHBondContact O-N 2.96Å; E455-Q457 PolarHBondContact O-N 2.99Å; Q457-N459 VanDerWaalsContact C-N 3.34Å; Q457-N459 PolarHBondContact O-N 3.02Å
458	A	55.2	Low	63.7	Low	86 Å²	86	88.3 Å²	88.3	71%	0.711	53%	0.529	S	S	*	.	H	α-helix	trans	-68.8	-32	-177.5	0	0	0	0	0	112.9	E455	E455-A458 PolarHBondContact O-N 2.99Å; E455-A458 VanDerWaalsContact O-N 3.12Å
459	N	49.7	Very low	63.3	Low	112 Å²	112	85.7 Å²	85.7	60%	0.599	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-1.4	-174.2	-74.3	-34.7	0	0	0	114.8	E455 Q457 K461	E455-N459 PolarHBondContact O-N 2.8Å; Q457-N459 VanDerWaalsContact C-N 3.34Å; Q457-N459 PolarHBondContact O-N 3.02Å; N459-K461 HydrophobicContact CB-CB 4.26Å; N459-K461 HydrophobicContact CB-CD 4.44Å; N459-K461 HydrophobicContact CB-CG 4.25Å; N459-K461 PolarHBondContact O-N 3.25Å
460	G	48	Very low	62.9	Low	54 Å²	54	82.9 Å²	82.9	56%	0.557	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	11.6	-172.7	0	0	0	0	0	113.9	L462	G460-L462 PolarHBondContact O-N 3.17Å
461	K	39	Very low	61.9	Low	161 Å²	161	78.7 Å²	78.7	70%	0.7	50%	0.501	S	S	*	.			trans	-97.9	75.9	-179.3	-72.3	-175.3	-179.4	-178.1	0	108.4	N459	N459-K461 HydrophobicContact CB-CB 4.26Å; N459-K461 HydrophobicContact CB-CD 4.44Å; N459-K461 HydrophobicContact CB-CG 4.25Å; N459-K461 PolarHBondContact O-N 3.25Å
462	L	42.7	Very low	60.4	Low	46 Å²	46	78.8 Å²	78.8	24%	0.241	50%	0.501	C	S	.	.			trans	-91.9	98.8	158.3	-71.4	164.3	0	0	0	105	I9 L396 L452 G460	I9-L462 HydrophobicContact CD1-CD1 3.84Å; I9-L462 HydrophobicContact CG1-CD1 4.48Å; L396-L462 HydrophobicContact CD2-CD2 4.47Å; L452-L462 HydrophobicContact CD1-CD2 3.72Å; G460-L462 PolarHBondContact O-N 3.17Å
463	G	34.9	Very low	58.3	Low	132 Å²	132	82.3 Å²	82.3	100%	1.361	53%	0.527	S	S	*	.			trans	-72.8	0	-177.5	0	0	0	0	0	113.4

Retrieved 463 of 463 residues in 934.4 ms (Link to these results)

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