A0A5K4F7J2_SCHMA Loading...

Alpha-ketoglutarate-dependent dioxygenase alkB homolog 7, mitochondrial

AlphaFold DB , UniProt , Accession A0A5K4F7J2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 288 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	32.1	Very low	248 Å²	248	169.9 Å²	169.9	100%	1.222	85%	0.854	S	S	*	*				0	113.6	0	-75.2	-179.9	178.8	0	0	108.7
2	S	32.1	Very low	32.3	Very low	120 Å²	120	164.8 Å²	164.8	84%	0.839	84%	0.842	S	S	*	*			trans	167	98.5	147.8	-171.8	0	0	0	0	107.3	A4	S2-A4 PolarHBondContact O-N 3.36Å
3	I	32.8	Very low	32.2	Very low	157 Å²	157	160 Å²	160	81%	0.805	84%	0.842	S	S	*	*			trans	-80.6	108	176.1	-68.4	164.8	0	0	0	106	V5	I3-V5 HydrophobicContact CG2-CG2 4.28Å; I3-V5 PolarHBondContact O-N 2.87Å
4	A	31.8	Very low	32.2	Very low	92 Å²	92	166.2 Å²	166.2	76%	0.76	85%	0.848	S	S	*	*			trans	-75.2	93.7	178.8	0	0	0	0	0	110.2	S2 R6	S2-A4 PolarHBondContact O-N 3.36Å; A4-R6 PolarHBondContact O-N 3.28Å
5	V	33.2	Very low	31.9	Very low	122 Å²	122	171 Å²	171	74%	0.739	85%	0.852	S	S	*	*			trans	-73.8	101.5	172.5	179.2	0	0	0	0	108.7	I3 R7	I3-V5 HydrophobicContact CG2-CG2 4.28Å; I3-V5 PolarHBondContact O-N 2.87Å; V5-R7 PolarHBondContact O-N 3.16Å
6	R	32.6	Very low	31.6	Very low	220 Å²	220	168 Å²	168	83%	0.83	85%	0.85	S	S	*	*			trans	-72.7	105.5	171.9	-89.9	-175.3	170.6	-158.7	-2.1	109.9	A4 F8	A4-R6 PolarHBondContact O-N 3.28Å; R6-F8 PolarHBondContact O-N 2.97Å
7	R	30.8	Very low	31.7	Very low	233 Å²	233	165.8 Å²	165.8	88%	0.879	85%	0.852	S	S	*	*			trans	-63.8	117.8	165.5	-83.6	177.1	166.3	172.7	-4.1	109.8	V5	V5-R7 PolarHBondContact O-N 3.16Å
8	F	32.8	Very low	32	Very low	189 Å²	189	163.4 Å²	163.4	83%	0.829	85%	0.849	S	S	*	*			trans	-84.1	110.5	164.4	-83.9	-88.5	0	0	0	109	R6	R6-F8 PolarHBondContact O-N 2.97Å
9	T	32.8	Very low	31.9	Very low	122 Å²	122	158.6 Å²	158.6	75%	0.748	84%	0.844	S	S	*	*			trans	-75.5	118.4	172	44.4	0	0	0	0	109.7
10	F	28.1	Very low	31.8	Very low	208 Å²	208	160.7 Å²	160.7	91%	0.912	85%	0.845	S	S	*	*			trans	-65.1	127.2	167.4	-87.4	-101.3	0	0	0	110
11	L	33.9	Very low	31.7	Very low	158 Å²	158	157.7 Å²	157.7	83%	0.827	84%	0.838	S	S	*	*			trans	-121.2	147.2	165.5	-84.8	165.9	0	0	0	109.6
12	P	35.5	Very low	31.6	Very low	109 Å²	109	151.4 Å²	151.4	71%	0.708	82%	0.818	S	S	*	*			trans	-97.3	158	-152.7	36.4	-32.3	0	0	0	114.9	R14	P12-R14 PolarHBondContact O-N 2.85Å
13	A	29.9	Very low	31.6	Very low	102 Å²	102	152 Å²	152	84%	0.843	81%	0.811	S	S	*	*			trans	-8.4	109.5	163.8	0	0	0	0	0	117.4
14	R	32.9	Very low	31.4	Very low	247 Å²	247	148.9 Å²	148.9	93%	0.932	81%	0.808	S	S	*	*			trans	-102.4	115.5	152.6	-81.2	-174.6	175.3	-129	0.4	109.5	P12	P12-R14 PolarHBondContact O-N 2.85Å
15	R	27.6	Very low	31.3	Very low	238 Å²	238	150.6 Å²	150.6	90%	0.898	80%	0.804	S	S	*	*			trans	-57.4	133.4	156.9	-69.9	176	172.4	-163.7	-2.8	108.8
16	C	27.2	Very low	31.3	Very low	123 Å²	123	148.1 Å²	148.1	83%	0.831	79%	0.792	S	S	*	*			trans	171.9	127.4	138	-94	0	0	0	0	108.9
17	C	34	Very low	31.2	Very low	131 Å²	131	144 Å²	144	89%	0.885	79%	0.791	S	S	*	*			trans	-50.3	140.4	177.5	-53	0	0	0	0	111.9
18	P	36.5	Very low	31.4	Very low	123 Å²	123	143.1 Å²	143.1	80%	0.799	79%	0.789	S	S	*	*				-139.7	147.7	113.2	29.1	-11.8	0	0	0	112.9
19	G	30	Very low	31.6	Very low	72 Å²	72	139.6 Å²	139.6	74%	0.742	78%	0.776	S	S	*	*			trans	-55.9	143.2	178.9	0	0	0	0	0	112.9	S21	G19-S21 PolarHBondContact O-N 2.92Å
20	F	30.6	Very low	31.7	Very low	199 Å²	199	143 Å²	143	87%	0.873	78%	0.78	S	S	*	*			trans	9	99.9	166.5	-83.3	-95.4	0	0	0	116	S22	F20-S22 PolarHBondContact O-N 3.31Å
21	S	29.8	Very low	32.2	Very low	98 Å²	98	137.1 Å²	137.1	69%	0.685	77%	0.77	S	S	*	*			trans	-39.5	120.2	154.5	53.3	0	0	0	0	110.2	G19 I23	G19-S21 PolarHBondContact O-N 2.92Å; S21-I23 PolarHBondContact O-N 2.71Å
22	S	28.2	Very low	33	Very low	116 Å²	116	138 Å²	138	81%	0.811	76%	0.762	S	S	*	*			trans	-46.9	107.3	157.7	169	0	0	0	0	107.4	F20 A24	F20-S22 PolarHBondContact O-N 3.31Å; S22-A24 PolarHBondContact O-N 3.26Å
23	I	33	Very low	33.9	Very low	134 Å²	134	142 Å²	142	69%	0.687	77%	0.769	S	S	*	*			trans	-59.7	114.4	167.8	-65.7	167	0	0	0	103.9	S21 L25	S21-I23 PolarHBondContact O-N 2.71Å; I23-L25 PolarHBondContact O-N 3.26Å
24	A	28.2	Very low	35.7	Very low	90 Å²	90	138.5 Å²	138.5	74%	0.744	74%	0.737	S	S	*	*			trans	-57.5	91.1	171.5	0	0	0	0	0	107.1	S22 S26	S22-A24 PolarHBondContact O-N 3.26Å; A24-S26 PolarHBondContact O-N 3.33Å
25	L	29.8	Very low	38.3	Very low	128 Å²	128	131.6 Å²	131.6	67%	0.67	71%	0.714	S	S	*	*			trans	-54.8	112.5	169.6	-90.8	118.6	0	0	0	105.4	I23 T27	I23-L25 PolarHBondContact O-N 3.26Å; L25-T27 PolarHBondContact O-N 3.28Å
26	S	32.1	Very low	41.3	Very low	71 Å²	71	122.7 Å²	122.7	50%	0.497	69%	0.688	S	S	.	*			trans	-48	140.6	-171.4	73.4	0	0	0	0	110.2	A24 Y28 Q29	A24-S26 PolarHBondContact O-N 3.33Å; S26-Y28 PolarHBondContact O-N 3.12Å; S26-Q29 PolarHBondContact O-N 3.41Å
27	T	32.1	Very low	44.4	Very low	133 Å²	133	118.7 Å²	118.7	82%	0.816	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-55.5	-1	-176.9	-28.4	0	0	0	0	114.5	L25 Q29	L25-T27 PolarHBondContact O-N 3.28Å; T27-Q29 VanDerWaalsContact C-N 3.35Å; T27-Q29 PolarHBondContact O-N 3.27Å
28	Y	34.2	Very low	47.2	Very low	214 Å²	214	113.4 Å²	113.4	84%	0.839	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-72.1	-15.7	177	-77.1	-79.7	0	0	0	115	S26 K30	S26-Y28 PolarHBondContact O-N 3.12Å; Y28-K30 VanDerWaalsContact C-N 3.31Å; Y28-K30 PolarHBondContact O-N 3.07Å
29	Q	37.1	Very low	49.9	Very low	116 Å²	116	115.7 Å²	115.7	54%	0.542	62%	0.62	S	S	.	*	G	3₁₀ helix	trans	-79.3	0.7	-178.4	-79.2	-173.6	-22.4	0	0	115.7	S26 T27 A31	S26-Q29 PolarHBondContact O-N 3.41Å; T27-Q29 VanDerWaalsContact C-N 3.35Å; T27-Q29 PolarHBondContact O-N 3.27Å; Q29-A31 PolarHBondContact O-N 3.12Å
30	K	35.8	Very low	53	Low	193 Å²	193	114.9 Å²	114.9	84%	0.839	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-90.6	13.3	-173.6	-93.8	-171	-175.6	-174.9	0	117.1	Y28	Y28-K30 VanDerWaalsContact C-N 3.31Å; Y28-K30 PolarHBondContact O-N 3.07Å
31	A	38.3	Very low	56	Low	84 Å²	84	110.1 Å²	110.1	69%	0.694	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-114.8	20.7	-176.3	0	0	0	0	0	115.8	Q29 F33	Q29-A31 PolarHBondContact O-N 3.12Å; A31-F33 PolarHBondContact O-N 3.42Å; A31-F33 VanDerWaalsContact O-N 3.16Å
32	W	49.6	Very low	59.1	Low	176 Å²	176	108.6 Å²	108.6	67%	0.667	57%	0.57	S	S	*	*			trans	-87	79.9	176.1	77.7	-77.8	0	0	0	111.1
33	F	54.6	Low	62.3	Low	193 Å²	193	103.1 Å²	103.1	85%	0.846	53%	0.531	S	S	*	.			trans	-112.4	30.4	157.7	-75.7	-72.3	0	0	0	110.8	A31 K35	A31-F33 PolarHBondContact O-N 3.42Å; A31-F33 VanDerWaalsContact O-N 3.16Å; F33-K35 PolarHBondContact O-N 3.4Å
34	T	68.1	Low	65.3	Low	29 Å²	29	99 Å²	99	18%	0.178	51%	0.51	C	S	.	.			trans	-70.4	115.5	168.8	-51.6	0	0	0	0	108.1	C36 L53 V212 F213	T34-C36 PolarHBondContact O-N 3.18Å; T34-L53 HydrophobicContact CG2-CD2 3.68Å; T34-L53 WeakPolarHBondContact OG1-CD2 3.36Å; T34-V212 HydrophobicContact CG2-CG1 3.64Å; T34-F213 HydrophobicContact CG2-CB 4.12Å; T34-F213 WeakPolarHBondContact CG2-O 3.46Å
35	K	86.9	Confident	68.4	Low	103 Å²	103	101.5 Å²	101.5	45%	0.448	50%	0.504	S	S	.	.			trans	-53.7	124.6	173.6	-62.7	174.2	-172.7	169.4	0	108.1	F33 F213 D250 L251	F33-K35 PolarHBondContact O-N 3.4Å; K35-F213 HydrophobicContact CB-CB 4.2Å; K35-F213 WeakPolarHBondContact O-CB 3.32Å; K35-F213 PolarHBondContact O-N 2.9Å; K35-D250 WeakPolarHBondContact CE-OD2 3.49Å; K35-D250 IonicContact NZ-OD2 3.63Å; K35-D250 PolarHBondContact NZ-OD2 2.77Å; K35-L251 HydrophobicContact CB-CB 4.45Å; K35-L251 HydrophobicContact CB-CD1 3.82Å; K35-L251 WeakPolarHBondContact O-CD1 3.39Å
36	C	92	Very high	71.5	Confident	51 Å²	51	95.9 Å²	95.9	35%	0.345	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	161	175.1	65.6	0	0	0	0	110.3	T34 I210 D211 V212	T34-C36 PolarHBondContact O-N 3.18Å; C36-I210 HydrophobicContact CB-CD1 4.21Å; C36-I210 HydrophobicContact CB-CG1 4.31Å; C36-D211 CarbonylContact C-O 3.6Å; C36-D211 WeakPolarHBondContact CA-O 3.48Å; C36-D211 WeakPolarHBondContact CB-O 3.26Å; C36-V212 HydrophobicContact CB-CG2 4.37Å
37	N	92.2	Very high	74.6	Confident	38 Å²	38	92.7 Å²	92.7	20%	0.203	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	124.2	177.7	-178.7	33.7	0	0	0	110	W209 I210 D211 L251 Y252	N37-W209 WeakPolarHBondContact O-CZ3 3.41Å; N37-I210 WeakPolarHBondContact O-CA 3.32Å; N37-D211 HydrophobicContact CB-CB 4.47Å; N37-D211 PolarHBondContact N-O 3.33Å; N37-D211 PolarHBondContact O-N 2.68Å; N37-L251 HydrophobicContact CB-CD2 3.59Å; N37-Y252 HydrophobicContact CB-CE2 4.38Å; N37-Y252 WeakPolarHBondContact CB-OH 3.28Å; N37-Y252 PolarHBondContact ND2-OH 3.21Å
38	S	92.5	Very high	77.5	Confident	20 Å²	20	89.4 Å²	89.4	14%	0.14	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	152.2	172.6	-175.3	0	0	0	0	110	H40 W209	S38-H40 PolarHBondContact OG-N 2.98Å; S38-H40 VanDerWaalsContact OG-N 3.16Å; S38-W209 WeakPolarHBondContact CB-O 3.45Å; S38-W209 PolarHBondContact OG-O 3.25Å
39	K	93.1	Very high	80.2	Confident	172 Å²	172	83.2 Å²	83.2	75%	0.748	42%	0.417	S	S	*	.	S	Bend	trans	-91.7	0.4	171.8	-62.7	-177.5	-178.5	178	0	113	P41	K39-P41 WeakPolarHBondContact O-CD 3.43Å
40	H	94.7	Very high	82.9	Confident	55 Å²	55	77.9 Å²	77.9	26%	0.255	39%	0.392	S	S	.	.			trans	-120.3	99.2	-167.5	-57.4	-80.8	0	0	0	111.9	S38 N42 L43 I44 P204 S208	S38-H40 PolarHBondContact OG-N 2.98Å; S38-H40 VanDerWaalsContact OG-N 3.16Å; H40-N42 VanDerWaalsContact C-N 3.3Å; H40-N42 PolarHBondContact O-N 2.99Å; H40-L43 HydrophobicContact CB-CB 3.87Å; H40-L43 PolarHBondContact O-N 2.73Å; H40-L43 VanDerWaalsContact O-N 3.11Å; H40-I44 WeakPolarHBondContact O-CG1 3.33Å; H40-I44 PolarHBondContact O-N 3.32Å; H40-P204 HydrophobicContact CB-CB 4.12Å; H40-P204 HydrophobicContact CB-CG 3.95Å; H40-S208 PolarHBondContact CE1-OG 3.36Å; H40-S208 VanDerWaalsContact CE1-OG 3.28Å; H40-S208 PolarHBondContact NE2-OG 3.39Å
41	P	94.6	Very high	85.8	Confident	99 Å²	99	69.9 Å²	69.9	64%	0.643	36%	0.358	S	S	*	.	H	α-helix	trans	-56.3	-38.9	-177.9	-27.3	35.3	0	0	0	114.4	K39 I44 K45	K39-P41 WeakPolarHBondContact O-CD 3.43Å; P41-I44 WeakPolarHBondContact O-CB 3.37Å; P41-I44 PolarHBondContact O-N 3.48Å; P41-K45 PolarHBondContact O-N 3.39Å
42	N	94.4	Very high	88.5	Confident	66 Å²	66	67.6 Å²	67.6	35%	0.353	33%	0.334	S	S	.	.	H	α-helix	trans	-66.7	-38.1	179	-66.7	-14.5	0	0	0	112.2	H40 K45 T46 D202	H40-N42 VanDerWaalsContact C-N 3.3Å; H40-N42 PolarHBondContact O-N 2.99Å; N42-K45 WeakPolarHBondContact O-CB 3.46Å; N42-K45 PolarHBondContact O-N 2.77Å; N42-T46 PolarHBondContact O-N 2.73Å; N42-T46 PolarHBondContact O-OG1 3.29Å; N42-D202 WeakPolarHBondContact CB-O 3.27Å; N42-D202 PolarHBondContact ND2-O 2.98Å; N42-D202 PolarHBondContact ND2-OD2 2.96Å
43	L	95.7	Very high	90.7	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.7	-42.3	174.7	-177.5	59.3	0	0	0	111.3	H40 K45 T46 V47 V181 P204 W209 I210 L230	H40-L43 HydrophobicContact CB-CB 3.87Å; H40-L43 PolarHBondContact O-N 2.73Å; H40-L43 VanDerWaalsContact O-N 3.11Å; L43-K45 VanDerWaalsContact C-N 3.26Å; L43-K45 PolarHBondContact O-N 3.41Å; L43-T46 PolarHBondContact O-N 2.95Å; L43-V47 HydrophobicContact CD1-CG2 3.92Å; L43-V47 HydrophobicContact CG-CG2 4.23Å; L43-V47 WeakPolarHBondContact O-CB 3.43Å; L43-V47 WeakPolarHBondContact O-CG2 3.27Å; L43-V47 PolarHBondContact O-N 3.29Å; L43-V181 HydrophobicContact CD1-CG2 4.43Å; L43-P204 HydrophobicContact CB-CG 3.89Å; L43-P204 HydrophobicContact CD2-CG 4.38Å; L43-W209 VanDerWaalsContact CD2-C 3.42Å; L43-I210 HydrophobicContact CD2-CB 4.19Å; L43-I210 HydrophobicContact CD2-CG2 4.13Å; L43-I210 HydrophobicContact CG-CB 4.38Å; L43-I210 HydrophobicContact CG-CG2 4.1Å; L43-L230 HydrophobicContact CD1-CD2 3.7Å
44	I	95.4	Very high	92.7	Very high	48 Å²	48	55.9 Å²	55.9	25%	0.246	29%	0.289	C	S	.	.	H	α-helix	trans	-55.5	-45.3	173.3	-63.9	167.6	0	0	0	109.9	H40 P41 S48 I210	H40-I44 WeakPolarHBondContact O-CG1 3.33Å; H40-I44 PolarHBondContact O-N 3.32Å; P41-I44 WeakPolarHBondContact O-CB 3.37Å; P41-I44 PolarHBondContact O-N 3.48Å; I44-S48 VanDerWaalsContact O-CB 3.23Å; I44-S48 WeakPolarHBondContact O-CB 3.43Å; I44-S48 PolarHBondContact O-N 2.82Å; I44-S48 PolarHBondContact O-OG 3.18Å; I44-I210 HydrophobicContact CB-CD1 4.45Å; I44-I210 HydrophobicContact CG1-CD1 3.92Å
45	K	94.1	Very high	93.9	Very high	142 Å²	142	59.1 Å²	59.1	62%	0.617	30%	0.302	S	S	*	.	H	α-helix	trans	-61.3	-49.9	178	-177.3	-175.8	176.1	-172.1	0	112	P41 N42 L43 S48 N49	P41-K45 PolarHBondContact O-N 3.39Å; N42-K45 WeakPolarHBondContact O-CB 3.46Å; N42-K45 PolarHBondContact O-N 2.77Å; L43-K45 VanDerWaalsContact C-N 3.26Å; L43-K45 PolarHBondContact O-N 3.41Å; K45-S48 PolarHBondContact O-N 2.93Å; K45-N49 VanDerWaalsContact O-CG 3.28Å; K45-N49 PolarHBondContact O-N 3.11Å; K45-N49 VanDerWaalsContact O-N 3.14Å; K45-N49 PolarHBondContact O-ND2 2.84Å
46	T	94.7	Very high	94.4	Very high	11 Å²	11	60.2 Å²	60.2	7%	0.067	31%	0.313	C	S	.	.	H	α-helix	trans	-60.1	-48.6	178.8	-59.1	0	0	0	0	111.2	N42 L43 S48 N49 E50 L201 L203 A225	N42-T46 PolarHBondContact O-N 2.73Å; N42-T46 PolarHBondContact O-OG1 3.29Å; L43-T46 PolarHBondContact O-N 2.95Å; T46-S48 VanDerWaalsContact C-N 3.34Å; T46-S48 PolarHBondContact O-N 2.6Å; T46-N49 PolarHBondContact O-N 3.41Å; T46-E50 PolarHBondContact O-N 2.92Å; T46-E50 VanDerWaalsContact O-N 3.1Å; T46-L201 HydrophobicContact CG2-CD1 4.39Å; T46-L203 HydrophobicContact CG2-CD2 4.22Å; T46-A225 HydrophobicContact CG2-CB 4.08Å
47	V	95.5	Very high	94.7	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.024	30%	0.299	C	S	.	.	H	α-helix	trans	-63.4	-40.9	179.7	174.6	0	0	0	0	111.3	L43 N49 E50 L51 L179 I210 V212 L226 L230	L43-V47 HydrophobicContact CD1-CG2 3.92Å; L43-V47 HydrophobicContact CG-CG2 4.23Å; L43-V47 WeakPolarHBondContact O-CB 3.43Å; L43-V47 WeakPolarHBondContact O-CG2 3.27Å; L43-V47 PolarHBondContact O-N 3.29Å; V47-N49 PolarHBondContact O-N 3.24Å; V47-E50 PolarHBondContact O-N 3.49Å; V47-L51 HydrophobicContact CG1-CB 3.97Å; V47-L51 HydrophobicContact CG1-CD2 4Å; V47-L51 WeakPolarHBondContact O-CB 3.28Å; V47-L51 PolarHBondContact O-N 3.18Å; V47-L179 HydrophobicContact CG1-CD1 3.87Å; V47-L179 HydrophobicContact CG2-CD1 4.17Å; V47-I210 HydrophobicContact CB-CD1 4.39Å; V47-I210 HydrophobicContact CB-CG2 4.36Å; V47-I210 HydrophobicContact CG1-CD1 4.33Å; V47-I210 HydrophobicContact CG1-CG2 4.31Å; V47-I210 HydrophobicContact CG2-CG2 3.62Å; V47-V212 HydrophobicContact CG1-CG2 4.37Å; V47-L226 HydrophobicContact CB-CD2 4.3Å; V47-L226 HydrophobicContact CG1-CD1 4.46Å; V47-L226 HydrophobicContact CG2-CD2 3.62Å; V47-L230 HydrophobicContact CG2-CD2 4.32Å
48	S	93	Very high	95	Very high	63 Å²	63	56.8 Å²	56.8	44%	0.441	29%	0.29	S	S	.	.	H	α-helix	trans	-64.7	-28.4	178.1	-59.1	0	0	0	0	113.3	I44 K45 T46	I44-S48 VanDerWaalsContact O-CB 3.23Å; I44-S48 WeakPolarHBondContact O-CB 3.43Å; I44-S48 PolarHBondContact O-N 2.82Å; I44-S48 PolarHBondContact O-OG 3.18Å; K45-S48 PolarHBondContact O-N 2.93Å; T46-S48 VanDerWaalsContact C-N 3.34Å; T46-S48 PolarHBondContact O-N 2.6Å
49	N	92.1	Very high	95.2	Very high	85 Å²	85	59.5 Å²	59.5	46%	0.455	31%	0.306	S	S	.	.	H	α-helix	trans	-81.7	-34.6	178.5	-71	-21.4	0	0	0	112.5	K45 T46 V47	K45-N49 VanDerWaalsContact O-CG 3.28Å; K45-N49 PolarHBondContact O-N 3.11Å; K45-N49 VanDerWaalsContact O-N 3.14Å; K45-N49 PolarHBondContact O-ND2 2.84Å; T46-N49 PolarHBondContact O-N 3.41Å; V47-N49 PolarHBondContact O-N 3.24Å
50	E	93.7	Very high	95.5	Very high	3 Å²	3	57.3 Å²	57.3	1%	0.014	30%	0.299	C	S	.	.	H	α-helix	trans	-105.2	-34	-168.8	-66.3	-169.9	179.4	0	0	114.2	T46 V47 I52 Y197 R223 A225 L226	T46-E50 PolarHBondContact O-N 2.92Å; T46-E50 VanDerWaalsContact O-N 3.1Å; V47-E50 PolarHBondContact O-N 3.49Å; E50-I52 PolarHBondContact O-N 2.81Å; E50-Y197 WeakPolarHBondContact OE1-CE1 3.4Å; E50-Y197 PolarHBondContact OE1-OH 3.44Å; E50-R223 WeakPolarHBondContact O-CG 3.24Å; E50-R223 PolarHBondContact O-NE 3.24Å; E50-A225 WeakPolarHBondContact OE2-CA 3.49Å; E50-A225 VanDerWaalsContact OE2-CB 3.26Å; E50-A225 WeakPolarHBondContact OE2-CB 3.44Å; E50-A225 PolarHBondContact OE2-N 2.93Å; E50-L226 HydrophobicContact CB-CD1 3.87Å; E50-L226 HydrophobicContact CB-CG 3.83Å; E50-L226 PolarHBondContact OE2-N 2.96Å
51	L	95.9	Very high	95.6	Very high	25 Å²	25	61 Å²	61	13%	0.131	32%	0.32	C	S	.	.			trans	-73.3	119	177.6	-173.9	69.2	0	0	0	109.2	V47 L177 V212 Y220 I222 L226	V47-L51 HydrophobicContact CG1-CB 3.97Å; V47-L51 HydrophobicContact CG1-CD2 4Å; V47-L51 WeakPolarHBondContact O-CB 3.28Å; V47-L51 PolarHBondContact O-N 3.18Å; L51-L177 HydrophobicContact CD1-CD2 4.16Å; L51-V212 HydrophobicContact CD2-CB 4.42Å; L51-V212 HydrophobicContact CD2-CG1 3.94Å; L51-V212 HydrophobicContact CD2-CG2 4.16Å; L51-Y220 HydrophobicContact CD1-CD2 4.37Å; L51-I222 HydrophobicContact CD1-CG2 4.02Å; L51-L226 HydrophobicContact CB-CD1 3.51Å; L51-L226 HydrophobicContact CD1-CD1 4.21Å; L51-L226 HydrophobicContact CG-CD1 4.44Å; L51-L226 VanDerWaalsContact N-CD1 3.3Å
52	I	95.3	Very high	95.8	Very high	36 Å²	36	58.1 Å²	58.1	19%	0.185	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	125	170.2	-64.7	163.7	0	0	0	108	E50 K54 Y220 I221	E50-I52 PolarHBondContact O-N 2.81Å; I52-K54 HydrophobicContact CG2-CG 4.13Å; I52-Y220 CarbonylContact O-C 3.56Å; I52-Y220 WeakPolarHBondContact O-CA 3.46Å; I52-I221 HydrophobicContact CB-CB 4.12Å; I52-I221 HydrophobicContact CB-CD1 4.09Å; I52-I221 HydrophobicContact CB-CG1 4.29Å; I52-I221 HydrophobicContact CD1-CD1 4.4Å; I52-I221 HydrophobicContact CG2-CD1 3.95Å; I52-I221 HydrophobicContact CG2-CG1 4.45Å; I52-I221 PolarHBondContact N-O 2.9Å; I52-I221 PolarHBondContact O-N 2.99Å
53	L	96	Very high	96	Very high	38 Å²	38	55.2 Å²	55.2	20%	0.199	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.1	169.8	-177.6	71.1	0	0	0	109.8	T34 Q55 I214 V219	T34-L53 HydrophobicContact CG2-CD2 3.68Å; T34-L53 WeakPolarHBondContact OG1-CD2 3.36Å; L53-Q55 HydrophobicContact CD2-CG 4.3Å; L53-Q55 HydrophobicContact CG-CG 4.43Å; L53-I214 HydrophobicContact CD1-CD1 4.1Å; L53-V219 CarbonylContact C-O 3.56Å; L53-V219 WeakPolarHBondContact CA-O 3.32Å
54	K	95.9	Very high	96.1	Very high	86 Å²	86	58.2 Å²	58.2	37%	0.374	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	101.7	172.8	-63.6	-168.6	179	-169.7	0	109	I52 F57 T114 S218 V219	I52-K54 HydrophobicContact CG2-CG 4.13Å; K54-F57 HydrophobicContact CB-CD2 4.16Å; K54-F57 HydrophobicContact CD-CD2 4.27Å; K54-F57 HydrophobicContact CD-CE2 4.44Å; K54-T114 HydrophobicContact CD-CG2 3.95Å; K54-S218 CarbonylContact O-C 3.56Å; K54-S218 VanDerWaalsContact O-CA 3.24Å; K54-S218 WeakPolarHBondContact O-CA 3.29Å; K54-S218 VanDerWaalsContact O-CB 3.31Å; K54-S218 WeakPolarHBondContact O-CB 3.38Å; K54-V219 PolarHBondContact N-O 3.28Å; K54-V219 PolarHBondContact O-N 2.67Å
55	Q	95.2	Very high	96.2	Very high	96 Å²	96	57.2 Å²	57.2	45%	0.449	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	159.2	172.9	-58	-168.7	23.1	0	0	110.9	L53 F57 P215	L53-Q55 HydrophobicContact CD2-CG 4.3Å; L53-Q55 HydrophobicContact CG-CG 4.43Å; Q55-F57 PolarHBondContact O-N 3.3Å; Q55-P215 HydrophobicContact CG-CG 4.27Å
56	D	95.9	Very high	96.4	Very high	127 Å²	127	50.5 Å²	50.5	68%	0.679	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	36.2	179	-55.9	-50.1	0	0	0	113.2	V58	D56-V58 PolarHBondContact O-N 3.48Å
57	F	98.1	Very high	96.6	Very high	15 Å²	15	50.6 Å²	50.6	7%	0.066	27%	0.271	C	S	.	.			trans	-65.3	-29.1	-179.3	-172.5	-91.7	0	0	0	111.4	K54 Q55 V107 R110 L111 T114 L169 R217 V219	K54-F57 HydrophobicContact CB-CD2 4.16Å; K54-F57 HydrophobicContact CD-CD2 4.27Å; K54-F57 HydrophobicContact CD-CE2 4.44Å; Q55-F57 PolarHBondContact O-N 3.3Å; F57-V107 HydrophobicContact CE1-CG1 4.42Å; F57-R110 HydrophobicContact CE2-CG 4.11Å; F57-R110 HydrophobicContact CZ-CB 4.21Å; F57-R110 HydrophobicContact CZ-CG 3.71Å; F57-R110 VanDerWaalsContact O-CZ 3.28Å; F57-R110 PolarHBondContact O-NH2 3.29Å; F57-L111 HydrophobicContact CE1-CB 4.23Å; F57-L111 HydrophobicContact CE1-CD1 4.42Å; F57-L111 HydrophobicContact CZ-CB 4.29Å; F57-L111 HydrophobicContact CZ-CD1 4.46Å; F57-T114 HydrophobicContact CE2-CG2 4.32Å; F57-L169 HydrophobicContact CD1-CD1 4.05Å; F57-R217 WeakPolarHBondContact CA-O 3.23Å; F57-R217 WeakPolarHBondContact CB-O 3.48Å; F57-R217 PolarHBondContact N-O 3.05Å; F57-V219 HydrophobicContact CB-CB 4.2Å; F57-V219 HydrophobicContact CB-CG2 3.81Å; F57-V219 HydrophobicContact CD1-CB 4.37Å; F57-V219 HydrophobicContact CD1-CG2 3.29Å; F57-V219 HydrophobicContact CD2-CB 4.01Å; F57-V219 HydrophobicContact CD2-CG2 3.76Å; F57-V219 HydrophobicContact CE1-CG2 3.71Å; F57-V219 HydrophobicContact CE2-CB 4.49Å; F57-V219 HydrophobicContact CE2-CG2 4.12Å; F57-V219 HydrophobicContact CG-CB 3.93Å; F57-V219 HydrophobicContact CG-CG2 3.32Å; F57-V219 HydrophobicContact CZ-CG2 4.08Å
58	V	98.4	Very high	96.6	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.012	30%	0.301	C	S	.	.	S	Bend	trans	-125.3	148.1	168.9	-62.2	0	0	0	0	110.8	D56 Q62 E63 L66 V107 L169 L171 R217	D56-V58 PolarHBondContact O-N 3.48Å; V58-Q62 HydrophobicContact CB-CB 3.88Å; V58-Q62 HydrophobicContact CG1-CB 4.4Å; V58-E63 HydrophobicContact CG2-CB 4.18Å; V58-L66 HydrophobicContact CG1-CD1 4.49Å; V58-V107 HydrophobicContact CG1-CB 4.5Å; V58-V107 HydrophobicContact CG1-CG1 3.49Å; V58-V107 VanDerWaalsContact CG1-CG1 3.49Å; V58-V107 HydrophobicContact CG1-CG2 4.12Å; V58-L169 HydrophobicContact CG1-CD1 3.95Å; V58-L169 HydrophobicContact CG1-CD2 3.98Å; V58-L169 HydrophobicContact CG2-CD1 4.09Å; V58-L171 HydrophobicContact CG2-CD2 3.89Å; V58-R217 HydrophobicContact CG2-CB 3.55Å; V58-R217 HydrophobicContact CG2-CG 3.72Å; V58-R217 PolarHBondContact N-O 2.96Å; V58-R217 VanDerWaalsContact N-O 3.15Å; V58-R217 WeakPolarHBondContact O-CB 3.47Å
59	T	98.2	Very high	96.8	Very high	76 Å²	76	53.6 Å²	53.6	47%	0.466	28%	0.282	S	S	.	.			trans	-76.4	166.1	169	66.7	0	0	0	0	110.9	N61 Q62 E63	T59-N61 VanDerWaalsContact C-N 3.28Å; T59-N61 PolarHBondContact O-N 3.09Å; T59-Q62 VanDerWaalsContact N-OE1 3.1Å; T59-Q62 WeakPolarHBondContact O-CB 3.44Å; T59-Q62 PolarHBondContact O-N 3.32Å; T59-Q62 VanDerWaalsContact O-N 3.12Å; T59-Q62 WeakPolarHBondContact OG1-CG 3.28Å; T59-Q62 PolarHBondContact OG1-N 3.29Å; T59-E63 PolarHBondContact O-N 3.2Å
60	E	98.2	Very high	97	Very high	127 Å²	127	49.6 Å²	49.6	59%	0.593	26%	0.26	S	S	*	.	H	α-helix	trans	-56.7	-42.4	174.4	-63.8	-176.2	176.9	0	0	112	Q62 E63 S64 R217	E60-Q62 VanDerWaalsContact C-N 3.33Å; E60-Q62 PolarHBondContact O-N 3.33Å; E60-E63 PolarHBondContact O-N 3.27Å; E60-S64 PolarHBondContact O-N 2.8Å; E60-S64 PolarHBondContact O-OG 2.78Å; E60-R217 IonicContact OE1-NH2 3.83Å
61	N	98.2	Very high	97.2	Very high	133 Å²	133	51.3 Å²	51.3	71%	0.711	27%	0.27	S	S	*	.	H	α-helix	trans	-62.5	-39.3	176.3	-68.1	-20.1	0	0	0	112.4	T59 S65	T59-N61 VanDerWaalsContact C-N 3.28Å; T59-N61 PolarHBondContact O-N 3.09Å; N61-S65 VanDerWaalsContact O-CB 3.32Å; N61-S65 WeakPolarHBondContact O-CB 3.46Å; N61-S65 PolarHBondContact O-N 2.88Å
62	Q	98.5	Very high	97	Very high	38 Å²	38	52.7 Å²	52.7	18%	0.178	28%	0.281	C	S	.	.	H	α-helix	trans	-67.7	-43	176.5	-76.2	176	-22.5	0	0	111.3	V58 T59 E60 S65 L66 T103 V107	V58-Q62 HydrophobicContact CB-CB 3.88Å; V58-Q62 HydrophobicContact CG1-CB 4.4Å; T59-Q62 VanDerWaalsContact N-OE1 3.1Å; T59-Q62 WeakPolarHBondContact O-CB 3.44Å; T59-Q62 PolarHBondContact O-N 3.32Å; T59-Q62 VanDerWaalsContact O-N 3.12Å; T59-Q62 WeakPolarHBondContact OG1-CG 3.28Å; T59-Q62 PolarHBondContact OG1-N 3.29Å; E60-Q62 VanDerWaalsContact C-N 3.33Å; E60-Q62 PolarHBondContact O-N 3.33Å; Q62-S65 PolarHBondContact O-N 3.48Å; Q62-L66 WeakPolarHBondContact O-CG 3.4Å; Q62-L66 PolarHBondContact O-N 3.39Å; Q62-T103 HydrophobicContact CG-CG2 3.87Å; Q62-V107 HydrophobicContact CB-CG2 4.06Å; Q62-V107 HydrophobicContact CG-CG2 3.95Å
63	E	98.5	Very high	96.9	Very high	5 Å²	5	53.1 Å²	53.1	2%	0.023	29%	0.286	C	S	.	.	H	α-helix	trans	-58.6	-49.8	173.2	175.1	175.9	-125.7	0	0	111.2	V58 T59 E60 S65 L66 I67 L171 L172 R216 R217	V58-E63 HydrophobicContact CG2-CB 4.18Å; T59-E63 PolarHBondContact O-N 3.2Å; E60-E63 PolarHBondContact O-N 3.27Å; E63-S65 VanDerWaalsContact C-N 3.33Å; E63-S65 PolarHBondContact O-N 3.47Å; E63-L66 PolarHBondContact O-N 3.49Å; E63-I67 HydrophobicContact CG-CG1 4.46Å; E63-I67 VanDerWaalsContact O-CG1 3.28Å; E63-I67 WeakPolarHBondContact O-CG1 3.5Å; E63-I67 PolarHBondContact O-N 3.02Å; E63-L171 HydrophobicContact CB-CD2 4.31Å; E63-L171 HydrophobicContact CG-CB 4.41Å; E63-L171 HydrophobicContact CG-CD2 4.05Å; E63-L171 WeakPolarHBondContact OE1-CA 3.23Å; E63-L172 PolarHBondContact OE1-N 2.82Å; E63-R216 VanDerWaalsContact CD-NH2 3.26Å; E63-R216 IonicContact OE1-CZ 3.52Å; E63-R216 IonicContact OE1-NE 3.53Å; E63-R216 PolarHBondContact OE1-NE 2.88Å; E63-R216 IonicContact OE1-NH2 2.71Å; E63-R216 PolarHBondContact OE1-NH2 2.97Å; E63-R216 IonicContact OE2-CZ 3.26Å; E63-R216 IonicContact OE2-NE 3.77Å; E63-R216 IonicContact OE2-NH2 2.85Å; E63-R216 PolarHBondContact OE2-NH2 3.36Å; E63-R217 HydrophobicContact CB-CG 4.12Å; E63-R217 VanDerWaalsContact CD-CG 3.44Å; E63-R217 HydrophobicContact CG-CG 4.32Å; E63-R217 WeakPolarHBondContact OE1-CG 3.47Å; E63-R217 WeakPolarHBondContact OE2-CD 2.93Å; E63-R217 WeakPolarHBondContact OE2-CG 3.25Å; E63-R217 IonicContact OE2-CZ 3.84Å; E63-R217 IonicContact OE2-NH1 3.85Å; E63-R217 PolarHBondContact OE2-NH1 3.19Å
64	S	98.1	Very high	96.9	Very high	63 Å²	63	51.3 Å²	51.3	44%	0.441	28%	0.276	S	S	.	.	H	α-helix	trans	-60.1	-41.6	177.5	-61.4	0	0	0	0	112.4	E60 I67 N68	E60-S64 PolarHBondContact O-N 2.8Å; E60-S64 PolarHBondContact O-OG 2.78Å; S64-I67 PolarHBondContact O-N 3.15Å; S64-N68 WeakPolarHBondContact O-CB 3.39Å; S64-N68 PolarHBondContact O-N 3.02Å; S64-N68 PolarHBondContact O-ND2 3.21Å
65	S	97.9	Very high	96.6	Very high	27 Å²	27	50.9 Å²	50.9	19%	0.189	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-42.8	177.1	178.8	0	0	0	0	112.4	N61 Q62 E63 E69 T101 N104	N61-S65 VanDerWaalsContact O-CB 3.32Å; N61-S65 WeakPolarHBondContact O-CB 3.46Å; N61-S65 PolarHBondContact O-N 2.88Å; Q62-S65 PolarHBondContact O-N 3.48Å; E63-S65 VanDerWaalsContact C-N 3.33Å; E63-S65 PolarHBondContact O-N 3.47Å; S65-E69 PolarHBondContact O-N 2.94Å; S65-T101 PolarHBondContact OG-OG1 3.11Å; S65-N104 VanDerWaalsContact C-OD1 3.26Å; S65-N104 VanDerWaalsContact CB-OD1 3.27Å; S65-N104 WeakPolarHBondContact CB-OD1 3.11Å; S65-N104 PolarHBondContact O-ND2 2.89Å; S65-N104 PolarHBondContact OG-ND2 2.97Å; S65-N104 PolarHBondContact OG-OD1 2.8Å
66	L	98	Very high	96.5	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-48.7	175.8	-74.3	166.4	0	0	0	110.9	V58 Q62 E63 N68 E69 L70 W99 N104 V107 L169 L171	V58-L66 HydrophobicContact CG1-CD1 4.49Å; Q62-L66 WeakPolarHBondContact O-CG 3.4Å; Q62-L66 PolarHBondContact O-N 3.39Å; E63-L66 PolarHBondContact O-N 3.49Å; L66-N68 PolarHBondContact O-N 3.27Å; L66-E69 PolarHBondContact O-N 3.36Å; L66-L70 WeakPolarHBondContact O-CB 3.45Å; L66-L70 VanDerWaalsContact O-CG 3.23Å; L66-L70 WeakPolarHBondContact O-CG 3.27Å; L66-L70 PolarHBondContact O-N 3.16Å; L66-W99 HydrophobicContact CD2-CE3 3.8Å; L66-W99 HydrophobicContact CD2-CH2 3.99Å; L66-W99 HydrophobicContact CD2-CZ3 3.38Å; L66-N104 HydrophobicContact CD2-CB 3.78Å; L66-N104 PolarHBondContact N-OD1 3.43Å; L66-V107 HydrophobicContact CD1-CG1 4.01Å; L66-L169 HydrophobicContact CD1-CD2 3.97Å; L66-L171 HydrophobicContact CB-CD1 4.27Å; L66-L171 HydrophobicContact CD1-CD1 4.15Å; L66-L171 HydrophobicContact CD1-CD2 4.47Å
67	I	97.8	Very high	96.3	Very high	13 Å²	13	54.1 Å²	54.1	7%	0.067	29%	0.287	C	S	.	.	H	α-helix	trans	-63.9	-43.6	-177.5	-65.7	-63.5	0	0	0	111.5	E63 S64 E69 L70 D71 L171 L172 V260	E63-I67 HydrophobicContact CG-CG1 4.46Å; E63-I67 VanDerWaalsContact O-CG1 3.28Å; E63-I67 WeakPolarHBondContact O-CG1 3.5Å; E63-I67 PolarHBondContact O-N 3.02Å; S64-I67 PolarHBondContact O-N 3.15Å; I67-E69 VanDerWaalsContact C-N 3.26Å; I67-E69 PolarHBondContact O-N 3.04Å; I67-L70 PolarHBondContact O-N 2.63Å; I67-D71 WeakPolarHBondContact CG2-OD2 3.29Å; I67-D71 VanDerWaalsContact O-CB 3.29Å; I67-D71 WeakPolarHBondContact O-CB 3.26Å; I67-D71 PolarHBondContact O-N 2.84Å; I67-L171 HydrophobicContact CD1-CB 4.25Å; I67-L171 HydrophobicContact CD1-CD1 4.05Å; I67-L172 HydrophobicContact CD1-CD1 3.94Å; I67-L172 HydrophobicContact CD1-CD2 3.93Å; I67-L172 HydrophobicContact CD1-CG 3.75Å; I67-L172 HydrophobicContact CG1-CD2 3.74Å; I67-L172 HydrophobicContact CG1-CG 4.14Å; I67-L172 HydrophobicContact CG2-CD2 4.3Å; I67-V260 HydrophobicContact CD1-CB 3.98Å; I67-V260 HydrophobicContact CD1-CG1 4.07Å; I67-V260 HydrophobicContact CD1-CG2 4.11Å
68	N	97.1	Very high	96.1	Very high	119 Å²	119	62.3 Å²	62.3	64%	0.636	32%	0.322	S	S	*	.	H	α-helix	trans	-57.6	-40.4	176.5	-73.3	-19.8	0	0	0	112.1	S64 L66	S64-N68 WeakPolarHBondContact O-CB 3.39Å; S64-N68 PolarHBondContact O-N 3.02Å; S64-N68 PolarHBondContact O-ND2 3.21Å; L66-N68 PolarHBondContact O-N 3.27Å
69	E	96.7	Very high	96	Very high	11 Å²	11	65.7 Å²	65.7	5%	0.051	34%	0.335	C	S	.	.	H	α-helix	trans	-69.3	-45.3	176.4	-174.2	175.1	153.3	0	0	112	S65 L66 I67 S72 R96 W99 H100 N104	S65-E69 PolarHBondContact O-N 2.94Å; L66-E69 PolarHBondContact O-N 3.36Å; I67-E69 VanDerWaalsContact C-N 3.26Å; I67-E69 PolarHBondContact O-N 3.04Å; E69-S72 WeakPolarHBondContact O-CB 3.49Å; E69-S72 PolarHBondContact O-N 2.97Å; E69-S72 PolarHBondContact O-OG 3.13Å; E69-R96 IonicContact OE1-CZ 2.77Å; E69-R96 IonicContact OE1-NE 3.3Å; E69-R96 IonicContact OE1-NH2 3.91Å; E69-R96 PolarHBondContact OE1-NH2 3.18Å; E69-R96 VanDerWaalsContact OE1-NH2 3.07Å; E69-W99 VanDerWaalsContact OE1-CA 3.3Å; E69-W99 WeakPolarHBondContact OE1-CA 3.35Å; E69-H100 VanDerWaalsContact CD-N 3.26Å; E69-H100 HydrophobicContact CG-CB 4.41Å; E69-H100 IonicContact OE1-CD2 3.69Å; E69-H100 IonicContact OE1-CG 2.7Å; E69-H100 PolarHBondContact OE1-N 2.9Å; E69-H100 IonicContact OE1-ND1 3.77Å; E69-H100 PolarHBondContact OE2-N 2.9Å; E69-N104 PolarHBondContact OE2-ND2 3.14Å
70	L	96.7	Very high	95.8	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-67.3	-39	-177.9	-68.1	173.7	0	0	0	112.2	L66 I67 S72 V73 L74 L94 W99 V143 V260 V262	L66-L70 WeakPolarHBondContact O-CB 3.45Å; L66-L70 VanDerWaalsContact O-CG 3.23Å; L66-L70 WeakPolarHBondContact O-CG 3.27Å; L66-L70 PolarHBondContact O-N 3.16Å; I67-L70 PolarHBondContact O-N 2.63Å; L70-S72 PolarHBondContact O-N 3.04Å; L70-V73 PolarHBondContact O-N 3.21Å; L70-V73 VanDerWaalsContact O-N 3.08Å; L70-L74 HydrophobicContact CB-CD1 3.88Å; L70-L74 PolarHBondContact O-N 2.81Å; L70-L94 HydrophobicContact CD2-CD1 4.43Å; L70-W99 HydrophobicContact CD1-CH2 4.42Å; L70-W99 HydrophobicContact CD1-CZ3 4.41Å; L70-W99 HydrophobicContact CD2-CH2 3.92Å; L70-W99 HydrophobicContact CD2-CZ3 3.86Å; L70-W99 HydrophobicContact CG-CH2 4.43Å; L70-W99 HydrophobicContact CG-CZ3 4.11Å; L70-V143 HydrophobicContact CD1-CG1 3.92Å; L70-V143 HydrophobicContact CD2-CB 4.43Å; L70-V143 HydrophobicContact CD2-CG1 4.03Å; L70-V143 HydrophobicContact CD2-CG2 3.88Å; L70-V260 HydrophobicContact CD1-CG1 4.07Å; L70-V262 HydrophobicContact CD1-CG2 4.25Å
71	D	96.1	Very high	95.4	Very high	39 Å²	39	64.7 Å²	64.7	21%	0.209	33%	0.332	C	S	.	.	H	α-helix	trans	-68.3	-22.4	-178.3	-79.5	-4.7	0	0	0	113.2	I67 V73 C75 R258	I67-D71 WeakPolarHBondContact CG2-OD2 3.29Å; I67-D71 VanDerWaalsContact O-CB 3.29Å; I67-D71 WeakPolarHBondContact O-CB 3.26Å; I67-D71 PolarHBondContact O-N 2.84Å; D71-V73 PolarHBondContact O-N 3.32Å; D71-C75 VanDerWaalsContact O-CB 3.28Å; D71-C75 WeakPolarHBondContact O-CB 3.34Å; D71-C75 PolarHBondContact O-N 3.05Å; D71-C75 PolarHBondContact O-SG 2.86Å; D71-R258 VanDerWaalsContact CG-NH1 3.28Å; D71-R258 IonicContact OD1-CZ 3.34Å; D71-R258 IonicContact OD1-NH1 3.18Å; D71-R258 PolarHBondContact OD1-NH1 2.85Å; D71-R258 IonicContact OD1-NH2 3.73Å; D71-R258 PolarHBondContact OD1-NH2 3.07Å; D71-R258 IonicContact OD2-NH1 3.8Å; D71-R258 PolarHBondContact OD2-NH1 3.41Å
72	S	93.1	Very high	94.6	Very high	54 Å²	54	65.6 Å²	65.6	38%	0.378	33%	0.33	S	S	.	.	H	α-helix	trans	-57.9	-21	170.9	75.9	0	0	0	0	113.5	E69 L70 K76	E69-S72 WeakPolarHBondContact O-CB 3.49Å; E69-S72 PolarHBondContact O-N 2.97Å; E69-S72 PolarHBondContact O-OG 3.13Å; L70-S72 PolarHBondContact O-N 3.04Å; S72-K76 VanDerWaalsContact O-CE 3.23Å; S72-K76 WeakPolarHBondContact O-CE 3.48Å; S72-K76 PolarHBondContact O-NZ 3.32Å
73	V	93.2	Very high	93.8	Very high	46 Å²	46	64.9 Å²	64.9	28%	0.279	33%	0.327	S	S	.	.	H	α-helix	trans	-116.7	-48.4	179	-175.3	0	0	0	0	111.7	L70 D71 C75 K76 L94	L70-V73 PolarHBondContact O-N 3.21Å; L70-V73 VanDerWaalsContact O-N 3.08Å; D71-V73 PolarHBondContact O-N 3.32Å; V73-C75 VanDerWaalsContact C-N 3.32Å; V73-C75 PolarHBondContact O-N 3.47Å; V73-K76 WeakPolarHBondContact O-CB 3.46Å; V73-K76 PolarHBondContact O-N 2.58Å; V73-K76 VanDerWaalsContact O-N 3.09Å; V73-L94 HydrophobicContact CB-CD2 4.07Å; V73-L94 HydrophobicContact CG1-CD2 3.89Å
74	L	94.5	Very high	93	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-60.1	-39.9	-175	-73.8	171.9	0	0	0	112.3	L70 K76 R77 R92 L94 V143 D145	L70-L74 HydrophobicContact CB-CD1 3.88Å; L70-L74 PolarHBondContact O-N 2.81Å; L74-K76 PolarHBondContact O-N 2.79Å; L74-K76 VanDerWaalsContact O-N 3.14Å; L74-R77 PolarHBondContact O-N 3.43Å; L74-R92 HydrophobicContact CD2-CB 4.09Å; L74-R92 WeakPolarHBondContact O-CD 3.29Å; L74-R92 PolarHBondContact O-NH1 2.9Å; L74-L94 HydrophobicContact CD2-CD2 3.52Å; L74-L94 HydrophobicContact CD2-CG 4.01Å; L74-L94 HydrophobicContact CG-CD2 3.68Å; L74-V143 HydrophobicContact CD1-CG1 4.33Å; L74-D145 HydrophobicContact CD1-CB 3.96Å; L74-D145 HydrophobicContact CD2-CB 4.14Å
75	C	90.8	Very high	92.2	Very high	77 Å²	77	74.4 Å²	74.4	52%	0.52	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.2	179.9	-68.8	0	0	0	0	113.4	D71 V73	D71-C75 VanDerWaalsContact O-CB 3.28Å; D71-C75 WeakPolarHBondContact O-CB 3.34Å; D71-C75 PolarHBondContact O-N 3.05Å; D71-C75 PolarHBondContact O-SG 2.86Å; V73-C75 VanDerWaalsContact C-N 3.32Å; V73-C75 PolarHBondContact O-N 3.47Å
76	K	92.6	Very high	91.7	Very high	175 Å²	175	81.5 Å²	81.5	76%	0.761	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-16.4	176	-61.2	171.3	179.9	155.2	0	112.7	S72 V73 L74	S72-K76 VanDerWaalsContact O-CE 3.23Å; S72-K76 WeakPolarHBondContact O-CE 3.48Å; S72-K76 PolarHBondContact O-NZ 3.32Å; V73-K76 WeakPolarHBondContact O-CB 3.46Å; V73-K76 PolarHBondContact O-N 2.58Å; V73-K76 VanDerWaalsContact O-N 3.09Å; L74-K76 PolarHBondContact O-N 2.79Å; L74-K76 VanDerWaalsContact O-N 3.14Å
77	R	92.8	Very high	91.4	Very high	115 Å²	115	81.7 Å²	81.7	43%	0.434	38%	0.383	S	S	.	.	S	Bend	trans	-90	146.6	176.5	-61.5	-174.5	178	-149	-6.9	109.5	L74 R92 E93	L74-R77 PolarHBondContact O-N 3.43Å; R77-R92 HydrophobicContact CB-CG 4.31Å; R77-R92 WeakPolarHBondContact O-CD 3.3Å; R77-R92 PolarHBondContact O-NH1 2.71Å; R77-E93 PolarHBondContact NH1-O 2.72Å
78	K	93.9	Very high	91.2	Very high	187 Å²	187	81.9 Å²	81.9	81%	0.813	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-85.7	147.3	168.5	-64.9	-175.7	179.7	-179.8	0	109.3	Q80	K78-Q80 PolarHBondContact O-N 2.71Å
79	Y	95.6	Very high	91	Very high	73 Å²	73	80.1 Å²	80.1	29%	0.286	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-61.4	133.9	168.6	-76.3	-74.3	0	0	0	110.1	N90 F91 R92 D145 A147	Y79-N90 WeakPolarHBondContact CD1-O 3.45Å; Y79-F91 CarbonylContact C-O 3.55Å; Y79-F91 WeakPolarHBondContact CA-O 3.48Å; Y79-R92 HydrophobicContact CD1-CB 4.45Å; Y79-R92 HydrophobicContact CD1-CG 3.64Å; Y79-R92 HydrophobicContact CE1-CB 4.46Å; Y79-R92 HydrophobicContact CE1-CG 3.92Å; Y79-R92 HydrophobicContact CG-CG 4.02Å; Y79-R92 VanDerWaalsContact CZ-NE 3.25Å; Y79-R92 PolarHBondContact OH-NH2 2.99Å; Y79-D145 WeakPolarHBondContact CE1-O 3.25Å; Y79-D145 PolarHBondContact OH-OD1 3.32Å; Y79-D145 PolarHBondContact OH-OD2 3.15Å; Y79-A147 HydrophobicContact CD1-CB 3.84Å; Y79-A147 HydrophobicContact CD2-CB 4.17Å; Y79-A147 HydrophobicContact CE1-CB 3.67Å; Y79-A147 HydrophobicContact CE2-CB 3.96Å; Y79-A147 HydrophobicContact CG-CB 4.12Å
80	Q	93.8	Very high	91	Very high	84 Å²	84	81.3 Å²	81.3	39%	0.393	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-93	135.6	175	-57.9	-177.4	33.5	0	0	109	K78 N90 F91	K78-Q80 PolarHBondContact O-N 2.71Å; Q80-N90 CarbonylContact O-C 3.57Å; Q80-N90 WeakPolarHBondContact O-CA 3.24Å; Q80-N90 PolarHBondContact O-N 3.08Å; Q80-F91 HydrophobicContact CB-CD1 4.23Å; Q80-F91 HydrophobicContact CB-CE1 3.74Å; Q80-F91 HydrophobicContact CB-CZ 3.96Å; Q80-F91 PolarHBondContact N-O 3.33Å; Q80-F91 PolarHBondContact O-N 3.09Å
81	T	88.8	Confident	91	Very high	98 Å²	98	81.3 Å²	81.3	60%	0.601	38%	0.377	S	S	*	.	S	Bend	trans	-86.3	-19.5	-175.6	52.9	0	0	0	0	113.4
82	K	82.9	Confident	91	Very high	152 Å²	152	80.9 Å²	80.9	66%	0.661	37%	0.373	S	S	*	.			trans	-145.1	135.3	179.8	-63	-176	-179.8	-178	0	110.1
83	H	82	Confident	91.1	Very high	24 Å²	24	80.8 Å²	80.8	11%	0.111	37%	0.367	C	S	.	.			trans	-90.2	158.3	166.6	-170.7	-106.8	0	0	0	110.1	D85 Y86 I88 F91 E93	H83-D85 VanDerWaalsContact C-N 3.27Å; H83-D85 IonicContact CE1-OD1 3.43Å; H83-D85 IonicContact CE1-OD2 2.65Å; H83-D85 PolarHBondContact CE1-OD2 3.05Å; H83-D85 IonicContact CG-OD1 2.78Å; H83-D85 IonicContact ND1-OD1 3.07Å; H83-D85 PolarHBondContact ND1-OD1 2.77Å; H83-D85 IonicContact ND1-OD2 3.64Å; H83-D85 PolarHBondContact ND1-OD2 2.64Å; H83-D85 VanDerWaalsContact ND1-OD2 3.17Å; H83-D85 PolarHBondContact O-N 3.47Å; H83-Y86 PolarHBondContact O-N 3.22Å; H83-I88 HydrophobicContact CB-CB 4.03Å; H83-I88 HydrophobicContact CB-CG1 4.48Å; H83-I88 PolarHBondContact N-O 2.88Å; H83-I88 VanDerWaalsContact N-O 3.13Å; H83-F91 HydrophobicContact CB-CE1 3.69Å; H83-F91 HydrophobicContact CB-CZ 3.67Å; H83-F91 AromaticContact CD2-CE2 3.85Å; H83-F91 AromaticContact CD2-CZ 3.53Å; H83-F91 AromaticContact CG-CZ 3.96Å; H83-E93 IonicContact NE2-OE2 3.21Å
84	W	80.6	Confident	91.2	Very high	203 Å²	203	79.1 Å²	79.1	77%	0.769	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-26.8	-171.9	66.4	-91.2	0	0	0	113.7
85	D	82.4	Confident	91.3	Very high	64 Å²	64	83.9 Å²	83.9	34%	0.342	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	3.4	175.5	64	14.7	0	0	0	113.3	H83 A87	H83-D85 VanDerWaalsContact C-N 3.27Å; H83-D85 IonicContact CE1-OD1 3.43Å; H83-D85 IonicContact CE1-OD2 2.65Å; H83-D85 PolarHBondContact CE1-OD2 3.05Å; H83-D85 IonicContact CG-OD1 2.78Å; H83-D85 IonicContact ND1-OD1 3.07Å; H83-D85 PolarHBondContact ND1-OD1 2.77Å; H83-D85 IonicContact ND1-OD2 3.64Å; H83-D85 PolarHBondContact ND1-OD2 2.64Å; H83-D85 VanDerWaalsContact ND1-OD2 3.17Å; H83-D85 PolarHBondContact O-N 3.47Å; D85-A87 PolarHBondContact O-N 2.8Å; D85-A87 WeakPolarHBondContact OD1-CB 3.31Å; D85-A87 PolarHBondContact OD1-N 2.78Å
86	Y	85.8	Confident	91.5	Very high	176 Å²	176	81.6 Å²	81.6	69%	0.69	36%	0.359	S	S	*	.	S	Bend	trans	61.7	18	-176.6	-48.5	-84.3	0	0	0	115.5	H83 M153	H83-Y86 PolarHBondContact O-N 3.22Å; Y86-M153 WeakPolarHBondContact O-CE 3.22Å
87	A	91.5	Very high	91.5	Very high	6 Å²	6	80.4 Å²	80.4	5%	0.05	35%	0.354	C	S	.	.			trans	-85.7	-18.9	179.4	0	0	0	0	0	113.8	D85 I152 M153 H155	D85-A87 PolarHBondContact O-N 2.8Å; D85-A87 WeakPolarHBondContact OD1-CB 3.31Å; D85-A87 PolarHBondContact OD1-N 2.78Å; A87-I152 CarbonylContact O-C 3.49Å; A87-I152 WeakPolarHBondContact O-CA 3.28Å; A87-M153 PolarHBondContact O-N 2.84Å; A87-H155 HydrophobicContact CB-CB 4.17Å
88	I	93.7	Very high	91.5	Very high	16 Å²	16	78.5 Å²	78.5	8%	0.082	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	138.9	-173.8	-43	178.4	0	0	0	111.7	H83 F91 L144 L146 E151 I152	H83-I88 HydrophobicContact CB-CB 4.03Å; H83-I88 HydrophobicContact CB-CG1 4.48Å; H83-I88 PolarHBondContact N-O 2.88Å; H83-I88 VanDerWaalsContact N-O 3.13Å; I88-F91 HydrophobicContact CB-CD1 3.88Å; I88-F91 HydrophobicContact CB-CE1 4.23Å; I88-F91 HydrophobicContact CB-CG 4.16Å; I88-F91 HydrophobicContact CG2-CB 3.53Å; I88-F91 HydrophobicContact CG2-CD1 3.55Å; I88-F91 HydrophobicContact CG2-CD2 4.23Å; I88-F91 HydrophobicContact CG2-CE1 4.38Å; I88-F91 HydrophobicContact CG2-CG 3.49Å; I88-F91 VanDerWaalsContact CG2-CG 3.49Å; I88-L144 HydrophobicContact CD1-CD1 4.07Å; I88-L144 HydrophobicContact CD1-CD2 4.08Å; I88-L146 HydrophobicContact CG2-CD2 3.77Å; I88-E151 WeakPolarHBondContact CG2-O 3.25Å; I88-I152 HydrophobicContact CG1-CG2 4.48Å; I88-I152 HydrophobicContact CG2-CG1 4.33Å
89	K	94.3	Very high	91.5	Very high	83 Å²	83	70.3 Å²	70.3	36%	0.361	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148.3	172.3	-67.6	176.9	-162.5	150.1	0	111.8	G150 E151 M153	K89-G150 VanDerWaalsContact O-CA 3.26Å; K89-G150 WeakPolarHBondContact O-CA 3.33Å; K89-E151 HydrophobicContact CB-CG 4.22Å; K89-E151 HydrophobicContact CD-CG 4.39Å; K89-E151 WeakPolarHBondContact CD-OE1 3.27Å; K89-E151 PolarHBondContact N-O 3.33Å; K89-E151 VanDerWaalsContact N-O 3.08Å; K89-E151 IonicContact NZ-OE1 3.17Å; K89-E151 PolarHBondContact NZ-OE1 3.13Å; K89-E151 PolarHBondContact O-N 2.88Å; K89-M153 HydrophobicContact CD-CE 4.12Å; K89-M153 HydrophobicContact CG-CE 3.73Å
90	N	95.5	Very high	91.4	Very high	35 Å²	35	73.2 Å²	73.2	19%	0.187	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	49	58.8	177.7	-55.1	-42.5	0	0	0	112.8	Y79 Q80 A147 N149	Y79-N90 WeakPolarHBondContact CD1-O 3.45Å; Q80-N90 CarbonylContact O-C 3.57Å; Q80-N90 WeakPolarHBondContact O-CA 3.24Å; Q80-N90 PolarHBondContact O-N 3.08Å; N90-A147 HydrophobicContact CB-CB 4.05Å; N90-A147 WeakPolarHBondContact O-CB 3.42Å; N90-A147 PolarHBondContact O-N 2.91Å; N90-N149 PolarHBondContact ND2-ND2 2.61Å; N90-N149 PolarHBondContact ND2-O 2.7Å
91	F	96.5	Very high	91.4	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	157.6	-174.5	73.4	-74.3	0	0	0	112.5	Y79 Q80 H83 I88 E93 L144 D145 L146	Y79-F91 CarbonylContact C-O 3.55Å; Y79-F91 WeakPolarHBondContact CA-O 3.48Å; Q80-F91 HydrophobicContact CB-CD1 4.23Å; Q80-F91 HydrophobicContact CB-CE1 3.74Å; Q80-F91 HydrophobicContact CB-CZ 3.96Å; Q80-F91 PolarHBondContact N-O 3.33Å; Q80-F91 PolarHBondContact O-N 3.09Å; H83-F91 HydrophobicContact CB-CE1 3.69Å; H83-F91 HydrophobicContact CB-CZ 3.67Å; H83-F91 AromaticContact CD2-CE2 3.85Å; H83-F91 AromaticContact CD2-CZ 3.53Å; H83-F91 AromaticContact CG-CZ 3.96Å; I88-F91 HydrophobicContact CB-CD1 3.88Å; I88-F91 HydrophobicContact CB-CE1 4.23Å; I88-F91 HydrophobicContact CB-CG 4.16Å; I88-F91 HydrophobicContact CG2-CB 3.53Å; I88-F91 HydrophobicContact CG2-CD1 3.55Å; I88-F91 HydrophobicContact CG2-CD2 4.23Å; I88-F91 HydrophobicContact CG2-CE1 4.38Å; I88-F91 HydrophobicContact CG2-CG 3.49Å; I88-F91 VanDerWaalsContact CG2-CG 3.49Å; F91-E93 HydrophobicContact CD2-CB 4.25Å; F91-E93 HydrophobicContact CD2-CG 4.42Å; F91-E93 HydrophobicContact CE2-CB 4.32Å; F91-E93 HydrophobicContact CE2-CG 4.02Å; F91-E93 WeakPolarHBondContact CE2-OE2 2.93Å; F91-L144 HydrophobicContact CB-CD1 4Å; F91-L144 HydrophobicContact CD2-CD1 3.69Å; F91-L144 HydrophobicContact CG-CD1 4.2Å; F91-D145 CarbonylContact C-O 3.44Å; F91-D145 VanDerWaalsContact CA-O 3.28Å; F91-D145 WeakPolarHBondContact CA-O 3.42Å; F91-L146 HydrophobicContact CB-CD2 3.78Å
92	R	96.4	Very high	91.7	Very high	30 Å²	30	72.5 Å²	72.5	11%	0.113	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.4	162.4	-66.4	-178.8	-88.9	-163.1	-1.2	106.5	L74 R77 Y79 D145	L74-R92 HydrophobicContact CD2-CB 4.09Å; L74-R92 WeakPolarHBondContact O-CD 3.29Å; L74-R92 PolarHBondContact O-NH1 2.9Å; R77-R92 HydrophobicContact CB-CG 4.31Å; R77-R92 WeakPolarHBondContact O-CD 3.3Å; R77-R92 PolarHBondContact O-NH1 2.71Å; Y79-R92 HydrophobicContact CD1-CB 4.45Å; Y79-R92 HydrophobicContact CD1-CG 3.64Å; Y79-R92 HydrophobicContact CE1-CB 4.46Å; Y79-R92 HydrophobicContact CE1-CG 3.92Å; Y79-R92 HydrophobicContact CG-CG 4.02Å; Y79-R92 VanDerWaalsContact CZ-NE 3.25Å; Y79-R92 PolarHBondContact OH-NH2 2.99Å; R92-D145 HydrophobicContact CB-CB 4.15Å; R92-D145 IonicContact CZ-OD2 2.7Å; R92-D145 PolarHBondContact N-O 3.16Å; R92-D145 IonicContact NE-OD2 3.4Å; R92-D145 PolarHBondContact NE-OD2 2.93Å; R92-D145 IonicContact NH2-OD2 3.25Å; R92-D145 PolarHBondContact O-N 2.95Å
93	E	95.5	Very high	92.3	Very high	53 Å²	53	68.2 Å²	68.2	25%	0.248	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	158	176.8	65.1	-173.5	-176.1	0	0	109.9	R77 H83 F91 H142 V143 L144	R77-E93 PolarHBondContact NH1-O 2.72Å; H83-E93 IonicContact NE2-OE2 3.21Å; F91-E93 HydrophobicContact CD2-CB 4.25Å; F91-E93 HydrophobicContact CD2-CG 4.42Å; F91-E93 HydrophobicContact CE2-CB 4.32Å; F91-E93 HydrophobicContact CE2-CG 4.02Å; F91-E93 WeakPolarHBondContact CE2-OE2 2.93Å; E93-H142 IonicContact OE2-NE2 3.32Å; E93-V143 CarbonylContact C-O 3.57Å; E93-V143 VanDerWaalsContact CA-O 3.26Å; E93-V143 WeakPolarHBondContact CA-O 3.06Å; E93-L144 HydrophobicContact CB-CD1 4.21Å
94	L	95.2	Very high	93.1	Very high	10 Å²	10	67.1 Å²	67.1	5%	0.052	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	163.7	165.2	59.8	83.4	0	0	0	109.5	L70 V73 L74 R96 H142 V143	L70-L94 HydrophobicContact CD2-CD1 4.43Å; V73-L94 HydrophobicContact CB-CD2 4.07Å; V73-L94 HydrophobicContact CG1-CD2 3.89Å; L74-L94 HydrophobicContact CD2-CD2 3.52Å; L74-L94 HydrophobicContact CD2-CG 4.01Å; L74-L94 HydrophobicContact CG-CD2 3.68Å; L94-R96 HydrophobicContact CD1-CG 3.41Å; L94-R96 VanDerWaalsContact CD1-CG 3.41Å; L94-H142 PolarHBondContact O-CD2 3.2Å; L94-V143 HydrophobicContact CD1-CB 3.72Å; L94-V143 HydrophobicContact CD1-CG1 4.49Å; L94-V143 HydrophobicContact CD1-CG2 3.84Å; L94-V143 HydrophobicContact CG-CB 4.05Å; L94-V143 PolarHBondContact N-O 3.46Å; L94-V143 PolarHBondContact O-N 3.42Å
95	E	96.5	Very high	93.8	Very high	100 Å²	100	59.8 Å²	59.8	47%	0.467	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140.3	173.2	-73.9	-165.4	145.5	0	0	109.5	L140 I141 H142 R265	E95-L140 HydrophobicContact CB-CB 4.1Å; E95-L140 HydrophobicContact CB-CD1 4.21Å; E95-L140 WeakPolarHBondContact OE2-CD1 3.26Å; E95-I141 WeakPolarHBondContact CA-O 3.34Å; E95-H142 HydrophobicContact CG-CB 4.39Å; E95-R265 IonicContact OE1-NH2 3.99Å; E95-R265 PolarHBondContact OE1-NH2 2.95Å
96	R	95	Very high	94.5	Very high	29 Å²	29	61.9 Å²	61.9	11%	0.109	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	141	180	-61.3	-176.3	67	127.4	2.2	112.1	E69 L94 S98 H100 I141	E69-R96 IonicContact OE1-CZ 2.77Å; E69-R96 IonicContact OE1-NE 3.3Å; E69-R96 IonicContact OE1-NH2 3.91Å; E69-R96 PolarHBondContact OE1-NH2 3.18Å; E69-R96 VanDerWaalsContact OE1-NH2 3.07Å; L94-R96 HydrophobicContact CD1-CG 3.41Å; L94-R96 VanDerWaalsContact CD1-CG 3.41Å; R96-S98 PolarHBondContact NE-O 3.33Å; R96-S98 PolarHBondContact NH2-O 2.8Å; R96-H100 PolarHBondContact NH2-CE1 2.71Å; R96-H100 VanDerWaalsContact NH2-CE1 3.32Å; R96-H100 PolarHBondContact NH2-NE2 2.84Å; R96-I141 PolarHBondContact N-O 3.48Å; R96-I141 PolarHBondContact O-N 3Å
97	K	93.1	Very high	95.1	Very high	151 Å²	151	53.6 Å²	53.6	66%	0.657	27%	0.273	S	S	*	.	S	Bend	trans	-92.5	-39.5	172.1	-168.2	175.1	179.8	179.6	0	112.6	L140	K97-L140 HydrophobicContact CB-CD2 3.78Å; K97-L140 HydrophobicContact CG-CD2 4.49Å
98	S	92.1	Very high	95.4	Very high	74 Å²	74	53.4 Å²	53.4	52%	0.517	27%	0.271	S	S	.	.			trans	-124.8	152.2	-172.5	54.8	0	0	0	0	112.3	R96	R96-S98 PolarHBondContact NE-O 3.33Å; R96-S98 PolarHBondContact NH2-O 2.8Å
99	W	95.1	Very high	95.4	Very high	15 Å²	15	55.6 Å²	55.6	6%	0.057	28%	0.283	C	S	.	.			trans	-119.7	138.1	-179.9	-62.6	81.4	0	0	0	109.6	L66 E69 L70 N104 Q105 V108 I141 V143 V262	L66-W99 HydrophobicContact CD2-CE3 3.8Å; L66-W99 HydrophobicContact CD2-CH2 3.99Å; L66-W99 HydrophobicContact CD2-CZ3 3.38Å; E69-W99 VanDerWaalsContact OE1-CA 3.3Å; E69-W99 WeakPolarHBondContact OE1-CA 3.35Å; L70-W99 HydrophobicContact CD1-CH2 4.42Å; L70-W99 HydrophobicContact CD1-CZ3 4.41Å; L70-W99 HydrophobicContact CD2-CH2 3.92Å; L70-W99 HydrophobicContact CD2-CZ3 3.86Å; L70-W99 HydrophobicContact CG-CH2 4.43Å; L70-W99 HydrophobicContact CG-CZ3 4.11Å; W99-N104 HydrophobicContact CB-CB 4Å; W99-N104 HydrophobicContact CD2-CB 4.41Å; W99-N104 HydrophobicContact CE3-CB 3.89Å; W99-N104 HydrophobicContact CG-CB 4.49Å; W99-Q105 HydrophobicContact CB-CB 4.37Å; W99-V108 HydrophobicContact CD2-CG2 3.66Å; W99-V108 HydrophobicContact CE3-CG2 4.37Å; W99-V108 HydrophobicContact CG-CG2 3.93Å; W99-V108 HydrophobicContact CH2-CG2 4.26Å; W99-V108 HydrophobicContact CZ2-CG2 3.57Å; W99-V108 VanDerWaalsContact NE1-CG2 3.28Å; W99-I141 HydrophobicContact CZ2-CG2 4.15Å; W99-V143 HydrophobicContact CH2-CG2 4.35Å; W99-V262 HydrophobicContact CH2-CG1 4.06Å; W99-V262 HydrophobicContact CH2-CG2 4.25Å; W99-V262 HydrophobicContact CZ2-CG1 3.99Å
100	H	92	Very high	95.5	Very high	135 Å²	135	56.5 Å²	56.5	63%	0.625	28%	0.284	S	S	*	.	S	Bend	trans	-76	-36.4	-168.4	-59.8	155.8	0	0	0	112.9	E69 R96	E69-H100 VanDerWaalsContact CD-N 3.26Å; E69-H100 HydrophobicContact CG-CB 4.41Å; E69-H100 IonicContact OE1-CD2 3.69Å; E69-H100 IonicContact OE1-CG 2.7Å; E69-H100 PolarHBondContact OE1-N 2.9Å; E69-H100 IonicContact OE1-ND1 3.77Å; E69-H100 PolarHBondContact OE2-N 2.9Å; R96-H100 PolarHBondContact NH2-CE1 2.71Å; R96-H100 VanDerWaalsContact NH2-CE1 3.32Å; R96-H100 PolarHBondContact NH2-NE2 2.84Å
101	T	93.8	Very high	95.6	Very high	54 Å²	54	54.9 Å²	54.9	33%	0.331	28%	0.276	S	S	.	.	S	Bend	trans	-98.7	144.3	-178.3	72	0	0	0	0	110.9	S65 T103 N104 Q105	S65-T101 PolarHBondContact OG-OG1 3.11Å; T101-T103 PolarHBondContact O-N 2.82Å; T101-N104 PolarHBondContact O-N 2.92Å; T101-N104 VanDerWaalsContact O-N 3.13Å; T101-N104 VanDerWaalsContact OG1-CB 3.26Å; T101-N104 WeakPolarHBondContact OG1-CB 3.36Å; T101-N104 PolarHBondContact OG1-N 3.34Å; T101-N104 PolarHBondContact OG1-ND2 3.03Å; T101-N104 VanDerWaalsContact OG1-ND2 3.12Å; T101-N104 PolarHBondContact OG1-OD1 2.96Å; T101-Q105 PolarHBondContact O-N 3.11Å
102	T	95.3	Very high	95.5	Very high	113 Å²	113	55.6 Å²	55.6	69%	0.693	28%	0.279	S	S	*	.	H	α-helix	trans	-56.3	-38	172.9	-51.2	0	0	0	0	111.3	N104 Q105 L106	T102-N104 PolarHBondContact O-N 3.4Å; T102-Q105 PolarHBondContact O-N 3.3Å; T102-L106 HydrophobicContact CG2-CD1 4.25Å; T102-L106 HydrophobicContact CG2-CG 4.43Å; T102-L106 WeakPolarHBondContact O-CB 3.42Å; T102-L106 VanDerWaalsContact O-CG 3.29Å; T102-L106 WeakPolarHBondContact O-CG 3.41Å; T102-L106 PolarHBondContact O-N 3Å
103	T	96.4	Very high	95.4	Very high	62 Å²	62	56 Å²	56	38%	0.38	29%	0.289	S	S	.	.	H	α-helix	trans	-57.6	-48.7	175.4	-55.7	0	0	0	0	112.1	Q62 T101 L106 V107	Q62-T103 HydrophobicContact CG-CG2 3.87Å; T101-T103 PolarHBondContact O-N 2.82Å; T103-L106 PolarHBondContact O-N 3.35Å; T103-V107 WeakPolarHBondContact O-CG2 3.36Å; T103-V107 PolarHBondContact O-N 3.27Å
104	N	97.7	Very high	95.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-69.3	-40.1	-179.1	-67.4	-9.7	0	0	0	111.2	S65 L66 E69 W99 T101 T102 L106 V107 V108	S65-N104 VanDerWaalsContact C-OD1 3.26Å; S65-N104 VanDerWaalsContact CB-OD1 3.27Å; S65-N104 WeakPolarHBondContact CB-OD1 3.11Å; S65-N104 PolarHBondContact O-ND2 2.89Å; S65-N104 PolarHBondContact OG-ND2 2.97Å; S65-N104 PolarHBondContact OG-OD1 2.8Å; L66-N104 HydrophobicContact CD2-CB 3.78Å; L66-N104 PolarHBondContact N-OD1 3.43Å; E69-N104 PolarHBondContact OE2-ND2 3.14Å; W99-N104 HydrophobicContact CB-CB 4Å; W99-N104 HydrophobicContact CD2-CB 4.41Å; W99-N104 HydrophobicContact CE3-CB 3.89Å; W99-N104 HydrophobicContact CG-CB 4.49Å; T101-N104 PolarHBondContact O-N 2.92Å; T101-N104 VanDerWaalsContact O-N 3.13Å; T101-N104 VanDerWaalsContact OG1-CB 3.26Å; T101-N104 WeakPolarHBondContact OG1-CB 3.36Å; T101-N104 PolarHBondContact OG1-N 3.34Å; T101-N104 PolarHBondContact OG1-ND2 3.03Å; T101-N104 VanDerWaalsContact OG1-ND2 3.12Å; T101-N104 PolarHBondContact OG1-OD1 2.96Å; T102-N104 PolarHBondContact O-N 3.4Å; N104-L106 PolarHBondContact O-N 3.43Å; N104-V107 PolarHBondContact O-N 3.05Å; N104-V108 VanDerWaalsContact O-CG2 3.25Å; N104-V108 WeakPolarHBondContact O-CG2 3.44Å; N104-V108 PolarHBondContact O-N 3.03Å
105	Q	96.5	Very high	95.3	Very high	50 Å²	50	53.7 Å²	53.7	23%	0.234	28%	0.279	C	S	.	.	H	α-helix	trans	-59.7	-46.2	175.8	-170.4	60.7	56.4	0	0	111.4	W99 T101 T102 V107 V108 D109	W99-Q105 HydrophobicContact CB-CB 4.37Å; T101-Q105 PolarHBondContact O-N 3.11Å; T102-Q105 PolarHBondContact O-N 3.3Å; Q105-V107 VanDerWaalsContact C-N 3.32Å; Q105-V107 PolarHBondContact O-N 3.1Å; Q105-V108 PolarHBondContact O-N 2.93Å; Q105-V108 VanDerWaalsContact O-N 3.12Å; Q105-D109 PolarHBondContact NE2-OD1 3.46Å; Q105-D109 PolarHBondContact O-N 3.06Å
106	L	96.2	Very high	95.1	Very high	108 Å²	108	49.6 Å²	49.6	57%	0.565	26%	0.26	S	S	*	.	H	α-helix	trans	-61.1	-38.3	177.3	-72.9	173	0	0	0	113	T102 T103 N104 V108 R110	T102-L106 HydrophobicContact CG2-CD1 4.25Å; T102-L106 HydrophobicContact CG2-CG 4.43Å; T102-L106 WeakPolarHBondContact O-CB 3.42Å; T102-L106 VanDerWaalsContact O-CG 3.29Å; T102-L106 WeakPolarHBondContact O-CG 3.41Å; T102-L106 PolarHBondContact O-N 3Å; T103-L106 PolarHBondContact O-N 3.35Å; N104-L106 PolarHBondContact O-N 3.43Å; L106-V108 VanDerWaalsContact C-N 3.34Å; L106-R110 WeakPolarHBondContact O-CB 2.82Å; L106-R110 PolarHBondContact O-N 2.96Å
107	V	97.9	Very high	94.8	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-64	-43.2	175.3	172.2	0	0	0	0	110.7	F57 V58 Q62 L66 T103 N104 Q105 R110 L111 L169	F57-V107 HydrophobicContact CE1-CG1 4.42Å; V58-V107 HydrophobicContact CG1-CB 4.5Å; V58-V107 HydrophobicContact CG1-CG1 3.49Å; V58-V107 VanDerWaalsContact CG1-CG1 3.49Å; V58-V107 HydrophobicContact CG1-CG2 4.12Å; Q62-V107 HydrophobicContact CB-CG2 4.06Å; Q62-V107 HydrophobicContact CG-CG2 3.95Å; L66-V107 HydrophobicContact CD1-CG1 4.01Å; T103-V107 WeakPolarHBondContact O-CG2 3.36Å; T103-V107 PolarHBondContact O-N 3.27Å; N104-V107 PolarHBondContact O-N 3.05Å; Q105-V107 VanDerWaalsContact C-N 3.32Å; Q105-V107 PolarHBondContact O-N 3.1Å; V107-R110 PolarHBondContact O-N 2.85Å; V107-L111 WeakPolarHBondContact O-CB 3.42Å; V107-L111 PolarHBondContact O-N 3.22Å; V107-L169 HydrophobicContact CG1-CD2 4Å
108	V	97.6	Very high	94.5	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-69.8	-39.8	-178.6	172.7	0	0	0	0	111.2	W99 N104 Q105 L106 R110 L111 K112 I141	W99-V108 HydrophobicContact CD2-CG2 3.66Å; W99-V108 HydrophobicContact CE3-CG2 4.37Å; W99-V108 HydrophobicContact CG-CG2 3.93Å; W99-V108 HydrophobicContact CH2-CG2 4.26Å; W99-V108 HydrophobicContact CZ2-CG2 3.57Å; W99-V108 VanDerWaalsContact NE1-CG2 3.28Å; N104-V108 VanDerWaalsContact O-CG2 3.25Å; N104-V108 WeakPolarHBondContact O-CG2 3.44Å; N104-V108 PolarHBondContact O-N 3.03Å; Q105-V108 PolarHBondContact O-N 2.93Å; Q105-V108 VanDerWaalsContact O-N 3.12Å; L106-V108 VanDerWaalsContact C-N 3.34Å; V108-R110 VanDerWaalsContact C-N 3.33Å; V108-R110 PolarHBondContact O-N 3.07Å; V108-L111 WeakPolarHBondContact O-CB 3.19Å; V108-L111 PolarHBondContact O-N 3.07Å; V108-L111 VanDerWaalsContact O-N 3.14Å; V108-K112 WeakPolarHBondContact O-CG 3.44Å; V108-K112 PolarHBondContact O-N 3.32Å; V108-I141 HydrophobicContact CG1-CD1 4.35Å; V108-I141 HydrophobicContact CG1-CG1 3.93Å
109	D	95.3	Very high	93.9	Very high	63 Å²	63	40.9 Å²	40.9	34%	0.337	23%	0.233	S	C	.	.	H	α-helix	trans	-63.7	-42.1	175.5	-64	-20.9	0	0	0	110.7	Q105 L111 K112 A113	Q105-D109 PolarHBondContact NE2-OD1 3.46Å; Q105-D109 PolarHBondContact O-N 3.06Å; D109-L111 VanDerWaalsContact C-N 3.32Å; D109-L111 PolarHBondContact O-N 3.41Å; D109-K112 PolarHBondContact O-N 3.39Å; D109-A113 WeakPolarHBondContact O-CB 3.44Å; D109-A113 PolarHBondContact O-N 3.13Å
110	R	95.8	Very high	93	Very high	101 Å²	101	43.8 Å²	43.8	38%	0.381	25%	0.249	S	C	.	.	H	α-helix	trans	-62.9	-38.2	172.2	-173.3	174.1	60.6	-156.7	-6.1	112	F57 L106 V107 V108 T114	F57-R110 HydrophobicContact CE2-CG 4.11Å; F57-R110 HydrophobicContact CZ-CB 4.21Å; F57-R110 HydrophobicContact CZ-CG 3.71Å; F57-R110 VanDerWaalsContact O-CZ 3.28Å; F57-R110 PolarHBondContact O-NH2 3.29Å; L106-R110 WeakPolarHBondContact O-CB 2.82Å; L106-R110 PolarHBondContact O-N 2.96Å; V107-R110 PolarHBondContact O-N 2.85Å; V108-R110 VanDerWaalsContact C-N 3.33Å; V108-R110 PolarHBondContact O-N 3.07Å; R110-T114 VanDerWaalsContact O-CB 3.23Å; R110-T114 WeakPolarHBondContact O-CB 3.4Å; R110-T114 PolarHBondContact O-N 3.47Å; R110-T114 PolarHBondContact O-OG1 3.49Å
111	L	97.3	Very high	92	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-50.2	175.5	-179.9	63.4	0	0	0	110	F57 V107 V108 D109 A113 T114 T115 A167 L169 V219 V262 C264	F57-L111 HydrophobicContact CE1-CB 4.23Å; F57-L111 HydrophobicContact CE1-CD1 4.42Å; F57-L111 HydrophobicContact CZ-CB 4.29Å; F57-L111 HydrophobicContact CZ-CD1 4.46Å; V107-L111 WeakPolarHBondContact O-CB 3.42Å; V107-L111 PolarHBondContact O-N 3.22Å; V108-L111 WeakPolarHBondContact O-CB 3.19Å; V108-L111 PolarHBondContact O-N 3.07Å; V108-L111 VanDerWaalsContact O-N 3.14Å; D109-L111 VanDerWaalsContact C-N 3.32Å; D109-L111 PolarHBondContact O-N 3.41Å; L111-A113 PolarHBondContact O-N 3.33Å; L111-T114 CarbonylContact O-C 3.52Å; L111-T114 WeakPolarHBondContact O-CB 3.28Å; L111-T114 PolarHBondContact O-N 3.42Å; L111-T114 VanDerWaalsContact O-N 3.15Å; L111-T115 PolarHBondContact O-N 2.9Å; L111-T115 PolarHBondContact O-OG1 3.45Å; L111-A167 HydrophobicContact CD1-CB 3.85Å; L111-L169 HydrophobicContact CD1-CB 4.44Å; L111-L169 HydrophobicContact CD2-CB 4.35Å; L111-V219 HydrophobicContact CD1-CG1 4.02Å; L111-V219 HydrophobicContact CD1-CG2 3.77Å; L111-V262 HydrophobicContact CD2-CG1 4.03Å; L111-C264 HydrophobicContact CD2-CB 3.89Å; L111-C264 HydrophobicContact CG-CB 3.82Å
112	K	95.6	Very high	90.5	Very high	15 Å²	15	40 Å²	40	7%	0.065	24%	0.24	C	C	.	.	H	α-helix	trans	-57.3	-50.4	176.6	-67.6	173.9	173.9	178.6	0	112.2	V108 D109 T114 T115 V116 I133 D134 V137 I141	V108-K112 WeakPolarHBondContact O-CG 3.44Å; V108-K112 PolarHBondContact O-N 3.32Å; D109-K112 PolarHBondContact O-N 3.39Å; K112-T114 PolarHBondContact O-N 2.74Å; K112-T115 WeakPolarHBondContact O-CB 3.47Å; K112-T115 PolarHBondContact O-N 3.34Å; K112-T115 VanDerWaalsContact O-N 3.13Å; K112-V116 WeakPolarHBondContact O-CG2 3.47Å; K112-V116 PolarHBondContact O-N 2.89Å; K112-I133 HydrophobicContact CB-CG2 3.66Å; K112-D134 WeakPolarHBondContact CD-OD1 3.48Å; K112-D134 WeakPolarHBondContact CE-OD1 3.28Å; K112-D134 IonicContact NZ-OD1 3.69Å; K112-D134 PolarHBondContact NZ-OD1 3.14Å; K112-V137 HydrophobicContact CB-CG2 4.38Å; K112-V137 HydrophobicContact CD-CG2 4.07Å; K112-V137 HydrophobicContact CG-CG2 4.01Å; K112-I141 HydrophobicContact CG-CD1 4.33Å
113	A	93.8	Very high	88.4	Confident	39 Å²	39	39.7 Å²	39.7	32%	0.322	24%	0.238	S	C	.	.	H	α-helix	trans	-58.6	-39.9	177.5	0	0	0	0	0	111.3	D109 L111 G117 I133	D109-A113 WeakPolarHBondContact O-CB 3.44Å; D109-A113 PolarHBondContact O-N 3.13Å; L111-A113 PolarHBondContact O-N 3.33Å; A113-G117 PolarHBondContact O-N 3.32Å; A113-I133 HydrophobicContact CB-CD1 3.81Å
114	T	93.8	Very high	86.1	Confident	14 Å²	14	43.8 Å²	43.8	9%	0.086	26%	0.263	C	S	.	.	H	α-helix	trans	-65.6	-43.1	175.6	-63.8	0	0	0	0	111.8	K54 F57 R110 L111 K112 S118 I221	K54-T114 HydrophobicContact CD-CG2 3.95Å; F57-T114 HydrophobicContact CE2-CG2 4.32Å; R110-T114 VanDerWaalsContact O-CB 3.23Å; R110-T114 WeakPolarHBondContact O-CB 3.4Å; R110-T114 PolarHBondContact O-N 3.47Å; R110-T114 PolarHBondContact O-OG1 3.49Å; L111-T114 CarbonylContact O-C 3.52Å; L111-T114 WeakPolarHBondContact O-CB 3.28Å; L111-T114 PolarHBondContact O-N 3.42Å; L111-T114 VanDerWaalsContact O-N 3.15Å; K112-T114 PolarHBondContact O-N 2.74Å; T114-S118 WeakPolarHBondContact O-CB 3.34Å; T114-S118 PolarHBondContact O-N 3.41Å; T114-S118 PolarHBondContact O-OG 3.14Å; T114-I221 HydrophobicContact CG2-CD1 3.61Å
115	T	94.6	Very high	83.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.2	-49.3	177.1	-48.1	0	0	0	0	111	L111 K112 S118 A167 C264 T266	L111-T115 PolarHBondContact O-N 2.9Å; L111-T115 PolarHBondContact O-OG1 3.45Å; K112-T115 WeakPolarHBondContact O-CB 3.47Å; K112-T115 PolarHBondContact O-N 3.34Å; K112-T115 VanDerWaalsContact O-N 3.13Å; T115-S118 PolarHBondContact O-N 2.85Å; T115-A167 HydrophobicContact CG2-CB 4.03Å; T115-A167 WeakPolarHBondContact OG1-CB 3.4Å; T115-C264 WeakPolarHBondContact OG1-CB 3.37Å; T115-C264 PolarHBondContact OG1-SG 2.8Å; T115-C264 VanDerWaalsContact OG1-SG 3.33Å; T115-T266 HydrophobicContact CG2-CG2 3.91Å
116	V	91.6	Very high	81.5	Confident	14 Å²	14	52 Å²	52	9%	0.085	32%	0.316	C	S	.	.	H	α-helix	trans	-68.1	-46.5	-177.8	176.9	0	0	0	0	111.3	K112 S118 G119 A122 M127 I133 V137	K112-V116 WeakPolarHBondContact O-CG2 3.47Å; K112-V116 PolarHBondContact O-N 2.89Å; V116-S118 PolarHBondContact O-N 3.49Å; V116-S118 VanDerWaalsContact O-N 3.07Å; V116-G119 PolarHBondContact O-N 2.76Å; V116-A122 WeakPolarHBondContact O-CB 3.38Å; V116-M127 HydrophobicContact CG1-CE 3.82Å; V116-M127 HydrophobicContact CG1-SD 3.29Å; V116-M127 WeakPolarHBondContact CG1-SD 3.42Å; V116-I133 HydrophobicContact CG2-CG2 4.1Å; V116-V137 HydrophobicContact CG2-CG1 3.42Å; V116-V137 VanDerWaalsContact CG2-CG1 3.42Å
117	G	89.4	Confident	79.5	Confident	57 Å²	57	50.4 Å²	50.4	59%	0.588	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-2.5	178.4	0	0	0	0	0	114.6	A113	A113-G117 PolarHBondContact O-N 3.32Å
118	S	87.4	Confident	77.7	Confident	8 Å²	8	58.5 Å²	58.5	6%	0.056	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	1.9	-179.9	-60.8	0	0	0	0	113.7	T114 T115 V116 I221 R223	T114-S118 WeakPolarHBondContact O-CB 3.34Å; T114-S118 PolarHBondContact O-N 3.41Å; T114-S118 PolarHBondContact O-OG 3.14Å; T115-S118 PolarHBondContact O-N 2.85Å; V116-S118 PolarHBondContact O-N 3.49Å; V116-S118 VanDerWaalsContact O-N 3.07Å; S118-I221 WeakPolarHBondContact OG-CD1 3.4Å; S118-R223 WeakPolarHBondContact O-CD 3.33Å; S118-R223 PolarHBondContact O-NH1 3Å
119	G	79.5	Confident	76.9	Confident	7 Å²	7	62.1 Å²	62.1	7%	0.072	36%	0.364	C	S	.	.			trans	-56.4	151.8	170.2	0	0	0	0	0	112.2	V116 T121 A122 S165	V116-G119 PolarHBondContact O-N 2.76Å; G119-T121 VanDerWaalsContact C-N 3.27Å; G119-A122 VanDerWaalsContact O-CB 3.29Å; G119-A122 WeakPolarHBondContact O-CB 3.47Å; G119-A122 PolarHBondContact O-N 3.12Å; G119-S165 WeakPolarHBondContact CA-OG 3.2Å
120	L	75	Confident	76.1	Confident	75 Å²	75	62.2 Å²	62.2	39%	0.393	37%	0.373	S	S	.	.	S	Bend	trans	-67.3	-35.7	167.4	-76.8	149.6	0	0	0	110.1	A122 E164	L120-A122 VanDerWaalsContact C-N 3.29Å; L120-E164 VanDerWaalsContact CA-OE1 3.29Å; L120-E164 WeakPolarHBondContact CA-OE1 3.48Å; L120-E164 VanDerWaalsContact CB-OE1 3.23Å; L120-E164 WeakPolarHBondContact CB-OE1 3.44Å; L120-E164 PolarHBondContact N-OE1 2.83Å
121	T	70.5	Confident	75.5	Confident	71 Å²	71	59.8 Å²	59.8	44%	0.436	38%	0.375	S	S	.	.	S	Bend	trans	-82.5	-4.1	175.5	70	0	0	0	0	113.8	G119 T123 E164	G119-T121 VanDerWaalsContact C-N 3.27Å; T121-T123 VanDerWaalsContact C-N 3.28Å; T121-T123 PolarHBondContact O-N 2.78Å; T121-T123 PolarHBondContact O-OG1 3.02Å; T121-E164 PolarHBondContact N-OE1 2.84Å; T121-E164 PolarHBondContact OG1-OE2 2.79Å
122	A	63.2	Low	74.9	Confident	39 Å²	39	65.2 Å²	65.2	32%	0.322	40%	0.399	S	S	.	.			trans	-61.7	93	178.4	0	0	0	0	0	108.9	V116 G119 L120 T124	V116-A122 WeakPolarHBondContact O-CB 3.38Å; G119-A122 VanDerWaalsContact O-CB 3.29Å; G119-A122 WeakPolarHBondContact O-CB 3.47Å; G119-A122 PolarHBondContact O-N 3.12Å; L120-A122 VanDerWaalsContact C-N 3.29Å; A122-T124 PolarHBondContact O-N 3.44Å
123	T	51.2	Low	74.5	Confident	107 Å²	107	65.3 Å²	65.3	66%	0.656	40%	0.4	S	S	*	.			trans	-60	139.2	174.6	-50.2	0	0	0	0	106.3	T121 M125	T121-T123 VanDerWaalsContact C-N 3.28Å; T121-T123 PolarHBondContact O-N 2.78Å; T121-T123 PolarHBondContact O-OG1 3.02Å; T123-M125 HydrophobicContact CG2-CG 4.04Å; T123-M125 PolarHBondContact O-N 3.2Å
124	T	48.1	Very low	74.2	Confident	147 Å²	147	67.3 Å²	67.3	90%	0.902	41%	0.405	S	S	*	.	S	Bend	trans	-56.1	5.4	-178.4	-14	0	0	0	0	115	A122 A126	A122-T124 PolarHBondContact O-N 3.44Å; T124-A126 VanDerWaalsContact C-N 3.35Å; T124-A126 PolarHBondContact O-N 2.74Å
125	M	45.5	Very low	73.9	Confident	147 Å²	147	73.6 Å²	73.6	72%	0.724	43%	0.433	S	S	*	.	S	Bend	trans	-59.6	101.3	165.8	-60.5	-133.3	75.5	0	0	107.4	T123 M127	T123-M125 HydrophobicContact CG2-CG 4.04Å; T123-M125 PolarHBondContact O-N 3.2Å; M125-M127 VanDerWaalsContact C-N 3.31Å; M125-M127 PolarHBondContact O-N 2.94Å
126	A	51.2	Low	73.7	Confident	76 Å²	76	75.5 Å²	75.5	63%	0.628	45%	0.447	S	S	*	.			trans	-46	98	171.5	0	0	0	0	0	108.5	T124 E128	T124-A126 VanDerWaalsContact C-N 3.35Å; T124-A126 PolarHBondContact O-N 2.74Å; A126-E128 HydrophobicContact CB-CG 4.06Å; A126-E128 PolarHBondContact O-N 2.88Å
127	M	54.6	Low	73.9	Confident	74 Å²	74	74.9 Å²	74.9	37%	0.365	44%	0.443	S	S	.	.			trans	-74.9	72.9	174.8	-73.9	-179.3	89.8	0	0	106.3	V116 M125 D129 K132 I133	V116-M127 HydrophobicContact CG1-CE 3.82Å; V116-M127 HydrophobicContact CG1-SD 3.29Å; V116-M127 WeakPolarHBondContact CG1-SD 3.42Å; M125-M127 VanDerWaalsContact C-N 3.31Å; M125-M127 PolarHBondContact O-N 2.94Å; M127-D129 VanDerWaalsContact C-N 3.28Å; M127-K132 HydrophobicContact CE-CB 3.91Å; M127-I133 HydrophobicContact CB-CG1 4.29Å; M127-I133 WeakPolarHBondContact O-CD1 3.4Å
128	E	61.6	Low	74.1	Confident	171 Å²	171	73.7 Å²	73.7	80%	0.799	42%	0.423	S	S	*	.			trans	-83.2	-13.8	173.4	-67.2	-178	177.2	0	0	111	A126 A130	A126-E128 HydrophobicContact CB-CG 4.06Å; A126-E128 PolarHBondContact O-N 2.88Å; E128-A130 PolarHBondContact O-N 2.87Å; E128-A130 VanDerWaalsContact O-N 3.16Å
129	D	79	Confident	74.4	Confident	78 Å²	78	76.7 Å²	76.7	42%	0.417	44%	0.442	S	S	.	.			trans	-76.8	102.5	176.6	-171.9	-8.3	0	0	0	110.7	M127 A131 K132 I133	M127-D129 VanDerWaalsContact C-N 3.28Å; D129-A131 PolarHBondContact O-N 2.93Å; D129-A131 VanDerWaalsContact O-N 3.17Å; D129-A131 WeakPolarHBondContact OD1-CB 3.37Å; D129-A131 PolarHBondContact OD1-N 2.82Å; D129-A131 VanDerWaalsContact OD1-N 3.11Å; D129-K132 HydrophobicContact CB-CB 4.32Å; D129-K132 HydrophobicContact CB-CD 4.05Å; D129-K132 HydrophobicContact CB-CG 4.1Å; D129-K132 PolarHBondContact O-N 2.79Å; D129-K132 WeakPolarHBondContact OD2-CE 3.23Å; D129-I133 PolarHBondContact O-N 2.92Å; D129-I133 VanDerWaalsContact O-N 3.14Å
130	A	79.9	Confident	75.2	Confident	65 Å²	65	79.6 Å²	79.6	54%	0.537	46%	0.456	S	S	.	.	H	α-helix	trans	-52.9	-34.6	179	0	0	0	0	0	113	E128 K132 I133 D134	E128-A130 PolarHBondContact O-N 2.87Å; E128-A130 VanDerWaalsContact O-N 3.16Å; A130-K132 VanDerWaalsContact C-N 3.33Å; A130-K132 PolarHBondContact O-N 2.76Å; A130-I133 PolarHBondContact O-N 2.65Å; A130-D134 PolarHBondContact O-N 2.77Å
131	A	82.6	Confident	76.2	Confident	51 Å²	51	76 Å²	76	42%	0.421	44%	0.437	S	S	.	.	H	α-helix	trans	-66.6	-36	179.3	0	0	0	0	0	111.9	D129 Q135	D129-A131 PolarHBondContact O-N 2.93Å; D129-A131 VanDerWaalsContact O-N 3.17Å; D129-A131 WeakPolarHBondContact OD1-CB 3.37Å; D129-A131 PolarHBondContact OD1-N 2.82Å; D129-A131 VanDerWaalsContact OD1-N 3.11Å; A131-Q135 VanDerWaalsContact O-CG 3.25Å; A131-Q135 WeakPolarHBondContact O-CG 3.33Å; A131-Q135 PolarHBondContact O-N 3.18Å; A131-Q135 PolarHBondContact O-NE2 2.94Å
132	K	85.2	Confident	77.5	Confident	115 Å²	115	74 Å²	74	50%	0.5	42%	0.423	S	S	.	.	H	α-helix	trans	-73.5	-36.6	176.2	-65.5	-177.8	-174.5	174.5	0	112.1	M127 D129 A130 Q135 S136	M127-K132 HydrophobicContact CE-CB 3.91Å; D129-K132 HydrophobicContact CB-CB 4.32Å; D129-K132 HydrophobicContact CB-CD 4.05Å; D129-K132 HydrophobicContact CB-CG 4.1Å; D129-K132 PolarHBondContact O-N 2.79Å; D129-K132 WeakPolarHBondContact OD2-CE 3.23Å; A130-K132 VanDerWaalsContact C-N 3.33Å; A130-K132 PolarHBondContact O-N 2.76Å; K132-Q135 PolarHBondContact O-N 2.76Å; K132-S136 WeakPolarHBondContact O-CB 3.17Å; K132-S136 PolarHBondContact O-N 2.76Å; K132-S136 PolarHBondContact O-OG 2.96Å
133	I	86.9	Confident	79.1	Confident	17 Å²	17	72.1 Å²	72.1	9%	0.087	41%	0.407	C	S	.	.	H	α-helix	trans	-59.3	-50.8	173.1	-68.3	163.8	0	0	0	109.6	K112 A113 V116 M127 D129 A130 Q135 S136 V137	K112-I133 HydrophobicContact CB-CG2 3.66Å; A113-I133 HydrophobicContact CB-CD1 3.81Å; V116-I133 HydrophobicContact CG2-CG2 4.1Å; M127-I133 HydrophobicContact CB-CG1 4.29Å; M127-I133 WeakPolarHBondContact O-CD1 3.4Å; D129-I133 PolarHBondContact O-N 2.92Å; D129-I133 VanDerWaalsContact O-N 3.14Å; A130-I133 PolarHBondContact O-N 2.65Å; I133-Q135 VanDerWaalsContact C-N 3.26Å; I133-Q135 PolarHBondContact O-N 3.46Å; I133-S136 WeakPolarHBondContact O-CB 3.21Å; I133-S136 PolarHBondContact O-N 2.89Å; I133-V137 PolarHBondContact O-N 2.59Å
134	D	87.1	Confident	81.3	Confident	80 Å²	80	67.2 Å²	67.2	43%	0.428	38%	0.377	S	S	.	.	H	α-helix	trans	-62.6	-30.6	-178.9	-87.4	-13.5	0	0	0	113.3	K112 A130 S136	K112-D134 WeakPolarHBondContact CD-OD1 3.48Å; K112-D134 WeakPolarHBondContact CE-OD1 3.28Å; K112-D134 IonicContact NZ-OD1 3.69Å; K112-D134 PolarHBondContact NZ-OD1 3.14Å; A130-D134 PolarHBondContact O-N 2.77Å; D134-S136 VanDerWaalsContact C-N 3.3Å
135	Q	88.4	Confident	83.7	Confident	146 Å²	146	60.2 Å²	60.2	68%	0.682	33%	0.334	S	S	*	.	H	α-helix	trans	-76.1	-17.9	174.1	-71.6	169.8	28.5	0	0	113.4	A131 K132 I133 H267	A131-Q135 VanDerWaalsContact O-CG 3.25Å; A131-Q135 WeakPolarHBondContact O-CG 3.33Å; A131-Q135 PolarHBondContact O-N 3.18Å; A131-Q135 PolarHBondContact O-NE2 2.94Å; K132-Q135 PolarHBondContact O-N 2.76Å; I133-Q135 VanDerWaalsContact C-N 3.26Å; I133-Q135 PolarHBondContact O-N 3.46Å; Q135-H267 PolarHBondContact O-CD2 3.41Å; Q135-H267 VanDerWaalsContact O-CD2 3.25Å
136	S	90.4	Very high	86.2	Confident	40 Å²	40	53.3 Å²	53.3	28%	0.28	30%	0.3	S	S	.	.	H	α-helix	trans	-93.7	-17	-176.6	-58.3	0	0	0	0	112.8	K132 I133 D134 T266 H267	K132-S136 WeakPolarHBondContact O-CB 3.17Å; K132-S136 PolarHBondContact O-N 2.76Å; K132-S136 PolarHBondContact O-OG 2.96Å; I133-S136 WeakPolarHBondContact O-CB 3.21Å; I133-S136 PolarHBondContact O-N 2.89Å; D134-S136 VanDerWaalsContact C-N 3.3Å; S136-T266 WeakPolarHBondContact O-CA 3.17Å; S136-H267 PolarHBondContact O-N 3.07Å
137	V	94.1	Very high	88.3	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-111.9	153.1	178.9	-58.9	0	0	0	0	111.7	K112 V116 I133 R265 H267	K112-V137 HydrophobicContact CB-CG2 4.38Å; K112-V137 HydrophobicContact CD-CG2 4.07Å; K112-V137 HydrophobicContact CG-CG2 4.01Å; V116-V137 HydrophobicContact CG2-CG1 3.42Å; V116-V137 VanDerWaalsContact CG2-CG1 3.42Å; I133-V137 PolarHBondContact O-N 2.59Å; V137-R265 CarbonylContact C-O 3.58Å; V137-R265 WeakPolarHBondContact CA-O 3.4Å; V137-R265 WeakPolarHBondContact CB-O 3.33Å; V137-H267 PolarHBondContact O-CD2 3.25Å; V137-H267 PolarHBondContact O-NE2 2.97Å
138	L	94.7	Very high	90.3	Very high	32 Å²	32	51.2 Å²	51.2	17%	0.168	28%	0.278	C	S	.	.			trans	-57.8	138.3	171.9	-64	179.2	0	0	0	110.6	L140 F161 R265 H267	L138-L140 PolarHBondContact O-N 2.77Å; L138-F161 VanDerWaalsContact CD1-O 3.24Å; L138-F161 WeakPolarHBondContact CD1-O 3.39Å; L138-R265 HydrophobicContact CD1-CB 3.8Å; L138-R265 HydrophobicContact CG-CB 4.22Å; L138-R265 PolarHBondContact N-O 3.44Å; L138-H267 WeakPolarHBondContact CD2-ND1 3.39Å
139	P	92.8	Very high	91.8	Very high	72 Å²	72	48 Å²	48	47%	0.468	27%	0.267	S	S	.	.	S	Bend	trans	-66.9	-24.3	-174.8	25.8	-35.2	0	0	0	113
140	L	96.1	Very high	92.6	Very high	67 Å²	67	44.3 Å²	44.3	35%	0.351	25%	0.247	S	C	.	.	S	Bend	trans	-102.5	120	178.7	-60.6	-176.2	0	0	0	110.2	E95 K97 L138	E95-L140 HydrophobicContact CB-CB 4.1Å; E95-L140 HydrophobicContact CB-CD1 4.21Å; E95-L140 WeakPolarHBondContact OE2-CD1 3.26Å; K97-L140 HydrophobicContact CB-CD2 3.78Å; K97-L140 HydrophobicContact CG-CD2 4.49Å; L138-L140 PolarHBondContact O-N 2.77Å
141	I	97.5	Very high	93.3	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.5	171.7	-57	-57.9	0	0	0	108.1	E95 R96 W99 V108 K112 V262 C264	E95-I141 WeakPolarHBondContact CA-O 3.34Å; R96-I141 PolarHBondContact N-O 3.48Å; R96-I141 PolarHBondContact O-N 3Å; W99-I141 HydrophobicContact CZ2-CG2 4.15Å; V108-I141 HydrophobicContact CG1-CD1 4.35Å; V108-I141 HydrophobicContact CG1-CG1 3.93Å; K112-I141 HydrophobicContact CG-CD1 4.33Å; I141-V262 HydrophobicContact CG2-CG1 3.4Å; I141-V262 VanDerWaalsContact CG2-CG1 3.4Å; I141-C264 HydrophobicContact CD1-CB 4.1Å
142	H	97.2	Very high	93.9	Very high	28 Å²	28	40.7 Å²	40.7	13%	0.13	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	134.2	-180	177.4	-154.5	0	0	0	109.3	E93 L94 E95 I263	E93-H142 IonicContact OE2-NE2 3.32Å; L94-H142 PolarHBondContact O-CD2 3.2Å; E95-H142 HydrophobicContact CG-CB 4.39Å; H142-I263 HydrophobicContact CB-CB 4.17Å; H142-I263 PolarHBondContact N-O 3.02Å; H142-I263 PolarHBondContact O-N 3.29Å
143	V	98	Very high	94.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.1	175	-179.9	0	0	0	0	108.3	L70 L74 E93 L94 W99 V260 S261 V262	L70-V143 HydrophobicContact CD1-CG1 3.92Å; L70-V143 HydrophobicContact CD2-CB 4.43Å; L70-V143 HydrophobicContact CD2-CG1 4.03Å; L70-V143 HydrophobicContact CD2-CG2 3.88Å; L74-V143 HydrophobicContact CD1-CG1 4.33Å; E93-V143 CarbonylContact C-O 3.57Å; E93-V143 VanDerWaalsContact CA-O 3.26Å; E93-V143 WeakPolarHBondContact CA-O 3.06Å; L94-V143 HydrophobicContact CD1-CB 3.72Å; L94-V143 HydrophobicContact CD1-CG1 4.49Å; L94-V143 HydrophobicContact CD1-CG2 3.84Å; L94-V143 HydrophobicContact CG-CB 4.05Å; L94-V143 PolarHBondContact N-O 3.46Å; L94-V143 PolarHBondContact O-N 3.42Å; W99-V143 HydrophobicContact CH2-CG2 4.35Å; V143-V260 HydrophobicContact CG1-CG1 4.1Å; V143-S261 WeakPolarHBondContact CA-O 3.4Å; V143-V262 HydrophobicContact CG2-CG2 4.4Å
144	L	97.2	Very high	94.9	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.6	176.3	-173.1	68.8	0	0	0	109.3	I88 F91 E93 L146 I152 V260 S261 I263	I88-L144 HydrophobicContact CD1-CD1 4.07Å; I88-L144 HydrophobicContact CD1-CD2 4.08Å; F91-L144 HydrophobicContact CB-CD1 4Å; F91-L144 HydrophobicContact CD2-CD1 3.69Å; F91-L144 HydrophobicContact CG-CD1 4.2Å; E93-L144 HydrophobicContact CB-CD1 4.21Å; L144-L146 HydrophobicContact CD2-CD2 4.12Å; L144-L146 HydrophobicContact CD2-CG 4.4Å; L144-L146 HydrophobicContact CG-CD2 4.23Å; L144-L146 HydrophobicContact CG-CG 4.45Å; L144-I152 HydrophobicContact CD2-CD1 3.48Å; L144-I152 VanDerWaalsContact CD2-CD1 3.48Å; L144-I152 HydrophobicContact CD2-CG1 4.14Å; L144-V260 CarbonylContact O-C 3.58Å; L144-V260 WeakPolarHBondContact O-CA 2.95Å; L144-S261 PolarHBondContact N-O 3.24Å; L144-S261 PolarHBondContact O-N 2.91Å; L144-I263 HydrophobicContact CB-CD1 4.15Å
145	D	97.6	Very high	95.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	108.1	177.4	169.2	10.3	0	0	0	107.9	L74 Y79 F91 R92 R258 V260	L74-D145 HydrophobicContact CD1-CB 3.96Å; L74-D145 HydrophobicContact CD2-CB 4.14Å; Y79-D145 WeakPolarHBondContact CE1-O 3.25Å; Y79-D145 PolarHBondContact OH-OD1 3.32Å; Y79-D145 PolarHBondContact OH-OD2 3.15Å; F91-D145 CarbonylContact C-O 3.44Å; F91-D145 VanDerWaalsContact CA-O 3.28Å; F91-D145 WeakPolarHBondContact CA-O 3.42Å; R92-D145 HydrophobicContact CB-CB 4.15Å; R92-D145 IonicContact CZ-OD2 2.7Å; R92-D145 PolarHBondContact N-O 3.16Å; R92-D145 IonicContact NE-OD2 3.4Å; R92-D145 PolarHBondContact NE-OD2 2.93Å; R92-D145 IonicContact NH2-OD2 3.25Å; R92-D145 PolarHBondContact O-N 2.95Å; D145-R258 VanDerWaalsContact CG-NE 3.26Å; D145-R258 VanDerWaalsContact OD1-CG 3.27Å; D145-R258 WeakPolarHBondContact OD1-CG 3.22Å; D145-R258 IonicContact OD1-CZ 2.6Å; D145-R258 IonicContact OD1-NE 2.81Å; D145-R258 PolarHBondContact OD1-NE 3.42Å; D145-R258 IonicContact OD1-NH2 2.88Å; D145-R258 IonicContact OD2-CZ 3.39Å; D145-R258 IonicContact OD2-NE 2.96Å; D145-R258 PolarHBondContact OD2-NE 3.39Å; D145-R258 VanDerWaalsContact OD2-NE 3.09Å; D145-R258 IonicContact OD2-NH2 3.09Å; D145-R258 PolarHBondContact OD2-NH2 3.2Å; D145-V260 HydrophobicContact CB-CG2 4.05Å
146	L	97.3	Very high	95.6	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	132.8	174.9	-58.8	174.4	0	0	0	109.4	I88 F91 L144 I152 I234 R259	I88-L146 HydrophobicContact CG2-CD2 3.77Å; F91-L146 HydrophobicContact CB-CD2 3.78Å; L144-L146 HydrophobicContact CD2-CD2 4.12Å; L144-L146 HydrophobicContact CD2-CG 4.4Å; L144-L146 HydrophobicContact CG-CD2 4.23Å; L144-L146 HydrophobicContact CG-CG 4.45Å; L146-I152 HydrophobicContact CD1-CD1 4.11Å; L146-I152 HydrophobicContact CD1-CG1 3.91Å; L146-I152 HydrophobicContact CD2-CG1 4.17Å; L146-I234 HydrophobicContact CD1-CG2 4.32Å; L146-R259 HydrophobicContact CB-CB 4.26Å; L146-R259 PolarHBondContact N-O 2.92Å; L146-R259 PolarHBondContact O-N 3.32Å
147	A	96.2	Very high	95.6	Very high	10 Å²	10	31.7 Å²	31.7	8%	0.083	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	166.4	166.4	0	0	0	0	0	110.3	Y79 N90 N149 G150 R259	Y79-A147 HydrophobicContact CD1-CB 3.84Å; Y79-A147 HydrophobicContact CD2-CB 4.17Å; Y79-A147 HydrophobicContact CE1-CB 3.67Å; Y79-A147 HydrophobicContact CE2-CB 3.96Å; Y79-A147 HydrophobicContact CG-CB 4.12Å; N90-A147 HydrophobicContact CB-CB 4.05Å; N90-A147 WeakPolarHBondContact O-CB 3.42Å; N90-A147 PolarHBondContact O-N 2.91Å; A147-N149 WeakPolarHBondContact CB-OD1 3.46Å; A147-N149 PolarHBondContact O-N 3.48Å; A147-G150 WeakPolarHBondContact O-CA 3.26Å; A147-G150 PolarHBondContact O-N 3.19Å; A147-R259 PolarHBondContact O-NH2 3.42Å; A147-R259 VanDerWaalsContact O-NH2 3.11Å
148	E	96.5	Very high	95.4	Very high	96 Å²	96	34.2 Å²	34.2	45%	0.449	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.3	-42.3	174	174.4	171.4	171	0	0	112.5	G150 N237 H255 R256 R259	E148-G150 VanDerWaalsContact C-N 3.35Å; E148-N237 WeakPolarHBondContact CG-ND2 3.26Å; E148-N237 PolarHBondContact O-ND2 2.73Å; E148-H255 IonicContact OE1-CE1 2.67Å; E148-H255 PolarHBondContact OE1-CE1 3.2Å; E148-H255 IonicContact OE1-NE2 3.31Å; E148-H255 PolarHBondContact OE1-NE2 2.64Å; E148-R256 WeakPolarHBondContact CG-O 3.43Å; E148-R259 PolarHBondContact O-NH1 3.36Å; E148-R259 PolarHBondContact O-NH2 3.06Å
149	N	94.1	Very high	95.1	Very high	104 Å²	104	33.9 Å²	33.9	56%	0.556	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	17.4	175.2	69.9	-22.9	0	0	0	113.8	N90 A147	N90-N149 PolarHBondContact ND2-ND2 2.61Å; N90-N149 PolarHBondContact ND2-O 2.7Å; A147-N149 WeakPolarHBondContact CB-OD1 3.46Å; A147-N149 PolarHBondContact O-N 3.48Å
150	G	94.5	Very high	94.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	151.1	175.6	0	0	0	0	0	112.5	K89 A147 E148 R259	K89-G150 VanDerWaalsContact O-CA 3.26Å; K89-G150 WeakPolarHBondContact O-CA 3.33Å; A147-G150 WeakPolarHBondContact O-CA 3.26Å; A147-G150 PolarHBondContact O-N 3.19Å; E148-G150 VanDerWaalsContact C-N 3.35Å; G150-R259 PolarHBondContact O-NH2 3.38Å
151	E	94.1	Very high	94.3	Very high	25 Å²	25	39.7 Å²	39.7	12%	0.117	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	154.8	179.1	68.3	-179.8	175.1	0	0	110.6	I88 K89 M153	I88-E151 WeakPolarHBondContact CG2-O 3.25Å; K89-E151 HydrophobicContact CB-CG 4.22Å; K89-E151 HydrophobicContact CD-CG 4.39Å; K89-E151 WeakPolarHBondContact CD-OE1 3.27Å; K89-E151 PolarHBondContact N-O 3.33Å; K89-E151 VanDerWaalsContact N-O 3.08Å; K89-E151 IonicContact NZ-OE1 3.17Å; K89-E151 PolarHBondContact NZ-OE1 3.13Å; K89-E151 PolarHBondContact O-N 2.88Å; E151-M153 HydrophobicContact CG-CG 4.42Å
152	I	97	Very high	93.9	Very high	15 Å²	15	39.9 Å²	39.9	8%	0.077	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	112.7	166.4	-56.1	177.7	0	0	0	105.8	A87 I88 L144 L146 H155 A233 I234	A87-I152 CarbonylContact O-C 3.49Å; A87-I152 WeakPolarHBondContact O-CA 3.28Å; I88-I152 HydrophobicContact CG1-CG2 4.48Å; I88-I152 HydrophobicContact CG2-CG1 4.33Å; L144-I152 HydrophobicContact CD2-CD1 3.48Å; L144-I152 VanDerWaalsContact CD2-CD1 3.48Å; L144-I152 HydrophobicContact CD2-CG1 4.14Å; L146-I152 HydrophobicContact CD1-CD1 4.11Å; L146-I152 HydrophobicContact CD1-CG1 3.91Å; L146-I152 HydrophobicContact CD2-CG1 4.17Å; I152-H155 WeakPolarHBondContact CG2-CE1 3.39Å; I152-A233 CarbonylContact O-C 3.58Å; I152-A233 VanDerWaalsContact O-CA 3.27Å; I152-A233 WeakPolarHBondContact O-CA 3.29Å; I152-A233 VanDerWaalsContact O-CB 3.22Å; I152-A233 WeakPolarHBondContact O-CB 3.32Å; I152-I234 HydrophobicContact CB-CB 4.03Å; I152-I234 HydrophobicContact CB-CG1 4.34Å; I152-I234 HydrophobicContact CD1-CB 4.14Å; I152-I234 HydrophobicContact CD1-CG1 3.78Å; I152-I234 HydrophobicContact CG1-CB 4.16Å; I152-I234 HydrophobicContact CG1-CG1 4.34Å; I152-I234 PolarHBondContact N-O 2.71Å; I152-I234 PolarHBondContact O-N 3.42Å
153	M	95.8	Very high	93.6	Very high	51 Å²	51	38.6 Å²	38.6	25%	0.251	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	160.7	176.5	-72.8	164.6	-77.4	0	0	110.8	Y86 A87 K89 E151 H155	Y86-M153 WeakPolarHBondContact O-CE 3.22Å; A87-M153 PolarHBondContact O-N 2.84Å; K89-M153 HydrophobicContact CD-CE 4.12Å; K89-M153 HydrophobicContact CG-CE 3.73Å; E151-M153 HydrophobicContact CG-CG 4.42Å; M153-H155 PolarHBondContact O-N 2.99Å; M153-H155 PolarHBondContact O-ND1 2.66Å
154	A	96.5	Very high	93.3	Very high	63 Å²	63	39.3 Å²	39.3	52%	0.521	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	122.9	179.7	0	0	0	0	0	110.6	T231 H232 A233	A154-T231 HydrophobicContact CB-CG2 4.46Å; A154-H232 WeakPolarHBondContact CA-O 3.4Å; A154-A233 HydrophobicContact CB-CB 4.45Å
155	H	95	Very high	93.1	Very high	30 Å²	30	39.1 Å²	39.1	14%	0.139	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	156.7	175.5	66.3	-65	0	0	0	111.2	A87 I152 M153 D157 T231 H232	A87-H155 HydrophobicContact CB-CB 4.17Å; I152-H155 WeakPolarHBondContact CG2-CE1 3.39Å; M153-H155 PolarHBondContact O-N 2.99Å; M153-H155 PolarHBondContact O-ND1 2.66Å; H155-D157 IonicContact CD2-OD1 3.55Å; H155-D157 IonicContact NE2-OD1 3.84Å; H155-T231 CarbonylContact O-C 3.57Å; H155-T231 VanDerWaalsContact O-CA 3.29Å; H155-T231 WeakPolarHBondContact O-CA 3.15Å; H155-H232 AromaticContact CD2-CE1 3.75Å; H155-H232 AromaticContact CE1-CD2 3.98Å; H155-H232 AromaticContact CE1-CE1 3.24Å; H155-H232 PolarHBondContact CE1-CE1 3.07Å; H155-H232 AromaticContact CE1-ND1 3.85Å; H155-H232 AromaticContact CE1-NE2 3.31Å; H155-H232 PolarHBondContact CE1-NE2 2.91Å; H155-H232 VanDerWaalsContact CE1-NE2 3.31Å; H155-H232 PolarHBondContact N-O 2.65Å; H155-H232 VanDerWaalsContact N-O 3.17Å; H155-H232 AromaticContact ND1-CE1 3.97Å; H155-H232 PolarHBondContact ND1-O 2.78Å; H155-H232 AromaticContact NE2-CE1 3.09Å; H155-H232 PolarHBondContact NE2-CE1 3.31Å; H155-H232 AromaticContact NE2-ND1 3.98Å; H155-H232 AromaticContact NE2-NE2 3.43Å; H155-H232 PolarHBondContact NE2-NE2 3.45Å; H155-H232 PolarHBondContact O-N 3.17Å; H155-H232 PolarHBondContact O-ND1 3.25Å
156	V	94.2	Very high	93.1	Very high	29 Å²	29	39.3 Å²	39.3	18%	0.176	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-98.4	127.7	165.4	-176.2	0	0	0	0	108.3	A182 E186 T231	V156-A182 HydrophobicContact CG2-CB 3.82Å; V156-E186 HydrophobicContact CG2-CB 4.23Å; V156-T231 HydrophobicContact CG2-CG2 3.94Å
157	D	91.8	Very high	93.1	Very high	36 Å²	36	39.2 Å²	39.2	19%	0.193	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-63.2	144.3	-179.1	-95	-40.6	0	0	0	112.4	H155 V159 C162 I166 R227 H232	H155-D157 IonicContact CD2-OD1 3.55Å; H155-D157 IonicContact NE2-OD1 3.84Å; D157-V159 PolarHBondContact O-N 3.43Å; D157-C162 HydrophobicContact CB-CB 4.3Å; D157-I166 HydrophobicContact CB-CD1 3.79Å; D157-I166 WeakPolarHBondContact OD2-CD1 3.49Å; D157-R227 PolarHBondContact O-NH1 3.38Å; D157-R227 PolarHBondContact O-NH2 3.1Å; D157-H232 IonicContact OD2-CE1 3.62Å; D157-H232 PolarHBondContact OD2-CE1 3.41Å; D157-H232 VanDerWaalsContact OD2-CE1 3.28Å; D157-H232 IonicContact OD2-NE2 3.53Å
158	S	89.3	Confident	93.2	Very high	54 Å²	54	39.1 Å²	39.1	38%	0.378	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-60	123.1	-179.2	-176.8	0	0	0	0	111.8	K160 F161 C162 R227	S158-K160 PolarHBondContact O-N 3.37Å; S158-K160 PolarHBondContact OG-N 2.85Å; S158-F161 PolarHBondContact O-N 2.86Å; S158-F161 WeakPolarHBondContact OG-CD2 3.26Å; S158-C162 WeakPolarHBondContact O-CB 3.08Å; S158-C162 PolarHBondContact O-N 3.34Å; S158-R227 PolarHBondContact O-NH2 3.33Å; S158-R227 VanDerWaalsContact O-NH2 3.14Å
159	V	88	Confident	93.3	Very high	24 Å²	24	34.6 Å²	34.6	15%	0.145	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.7	175.1	-60.2	0	0	0	0	112.8	D157 V188 Y228 S268 L272	D157-V159 PolarHBondContact O-N 3.43Å; V159-V188 HydrophobicContact CG2-CG1 4.35Å; V159-Y228 HydrophobicContact CG1-CD1 4.2Å; V159-Y228 HydrophobicContact CG1-CE1 4.19Å; V159-S268 WeakPolarHBondContact O-CB 3.4Å; V159-S268 PolarHBondContact O-OG 2.93Å; V159-L272 HydrophobicContact CB-CD1 3.63Å; V159-L272 HydrophobicContact CG2-CD1 3.79Å
160	K	86.3	Confident	93.5	Very high	152 Å²	152	29.8 Å²	29.8	66%	0.661	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-32.3	177.3	-176.4	177.1	178.3	179.3	0	112.6	S158	S158-K160 PolarHBondContact O-N 3.37Å; S158-K160 PolarHBondContact OG-N 2.85Å
161	F	86.3	Confident	93.7	Very high	110 Å²	110	29.9 Å²	29.9	48%	0.482	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-8.7	-172.1	-57.4	-65.9	0	0	0	113.3	L138 S158	L138-F161 VanDerWaalsContact CD1-O 3.24Å; L138-F161 WeakPolarHBondContact CD1-O 3.39Å; S158-F161 PolarHBondContact O-N 2.86Å; S158-F161 WeakPolarHBondContact OG-CD2 3.26Å
162	C	90.2	Very high	93.8	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.034	16%	0.164	C	C	.	.			trans	-137.1	122.5	-179.3	-56.2	0	0	0	0	109.2	D157 S158 I166 R227 R265	D157-C162 HydrophobicContact CB-CB 4.3Å; S158-C162 WeakPolarHBondContact O-CB 3.08Å; S158-C162 PolarHBondContact O-N 3.34Å; C162-I166 HydrophobicContact CB-CD1 3.67Å; C162-I166 HydrophobicContact CB-CG1 4.17Å; C162-R227 PolarHBondContact O-NH2 3.22Å; C162-R265 WeakPolarHBondContact SG-CD 3.48Å
163	G	90.6	Very high	93.8	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.01	17%	0.166	C	C	.	.			trans	-77.5	-150.6	177.4	0	0	0	0	0	115	S165 R227 T266 H267	G163-S165 PolarHBondContact O-N 3.35Å; G163-R227 PolarHBondContact O-NE 3.31Å; G163-T266 WeakPolarHBondContact CA-O 3.47Å; G163-T266 WeakPolarHBondContact CA-OG1 3.26Å; G163-T266 PolarHBondContact N-O 3.15Å; G163-H267 WeakPolarHBondContact CA-O 3.42Å
164	E	91	Very high	93.8	Very high	15 Å²	15	30.7 Å²	30.7	7%	0.07	17%	0.167	C	C	.	.	S	Bend	trans	-56.1	-40.2	-178.3	-166.1	-178.9	-174.8	0	0	114.8	L120 T121 Q194 R223 Y228 T266 I269	L120-E164 VanDerWaalsContact CA-OE1 3.29Å; L120-E164 WeakPolarHBondContact CA-OE1 3.48Å; L120-E164 VanDerWaalsContact CB-OE1 3.23Å; L120-E164 WeakPolarHBondContact CB-OE1 3.44Å; L120-E164 PolarHBondContact N-OE1 2.83Å; T121-E164 PolarHBondContact N-OE1 2.84Å; T121-E164 PolarHBondContact OG1-OE2 2.79Å; E164-Q194 PolarHBondContact OE1-NE2 3.23Å; E164-R223 WeakPolarHBondContact O-CA 3Å; E164-Y228 WeakPolarHBondContact CA-OH 3.46Å; E164-T266 PolarHBondContact N-OG1 3.02Å; E164-I269 HydrophobicContact CB-CD1 3.96Å; E164-I269 HydrophobicContact CG-CD1 4.48Å
165	S	93.3	Very high	93.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.			trans	-129.7	135.8	-172.8	-65.9	0	0	0	0	111.9	G119 G163 T266	G119-S165 WeakPolarHBondContact CA-OG 3.2Å; G163-S165 PolarHBondContact O-N 3.35Å; S165-T266 PolarHBondContact N-OG1 2.83Å; S165-T266 VanDerWaalsContact N-OG1 3.12Å; S165-T266 PolarHBondContact O-N 3.35Å; S165-T266 PolarHBondContact O-OG1 2.86Å
166	I	96.4	Very high	93.8	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.015	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	112.5	174.6	-52.7	178.1	0	0	0	107.4	D157 C162 V168 I221 I222 I263 R265	D157-I166 HydrophobicContact CB-CD1 3.79Å; D157-I166 WeakPolarHBondContact OD2-CD1 3.49Å; C162-I166 HydrophobicContact CB-CD1 3.67Å; C162-I166 HydrophobicContact CB-CG1 4.17Å; I166-V168 HydrophobicContact CG2-CG2 4.13Å; I166-I221 VanDerWaalsContact O-CA 3.28Å; I166-I221 WeakPolarHBondContact O-CA 3.2Å; I166-I222 HydrophobicContact CB-CD1 4.18Å; I166-I222 HydrophobicContact CB-CG1 3.73Å; I166-I222 HydrophobicContact CD1-CD1 4.14Å; I166-I222 HydrophobicContact CD1-CG1 4.41Å; I166-I222 HydrophobicContact CG1-CG1 4.38Å; I166-I222 HydrophobicContact CG2-CG1 4.46Å; I166-I222 PolarHBondContact N-O 3.31Å; I166-I222 VanDerWaalsContact N-O 3.07Å; I166-I222 PolarHBondContact O-N 3.43Å; I166-I263 HydrophobicContact CG2-CG2 3.9Å; I166-R265 HydrophobicContact CG1-CG 4.36Å; I166-R265 HydrophobicContact CG2-CG 4.11Å
167	A	97.6	Very high	94	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.7	174.9	0	0	0	0	0	109.9	L111 T115 V219 Y220 I221 I263 C264	L111-A167 HydrophobicContact CD1-CB 3.85Å; T115-A167 HydrophobicContact CG2-CB 4.03Å; T115-A167 WeakPolarHBondContact OG1-CB 3.4Å; A167-V219 HydrophobicContact CB-CG1 4.13Å; A167-Y220 WeakPolarHBondContact CA-O 3.48Å; A167-I221 HydrophobicContact CB-CG1 3.95Å; A167-I221 HydrophobicContact CB-CG2 4.48Å; A167-I263 WeakPolarHBondContact O-CA 3.38Å; A167-C264 PolarHBondContact N-O 2.87Å; A167-C264 PolarHBondContact O-N 3.42Å
168	V	98.5	Very high	94.3	Very high	8 Å²	8	26 Å²	26	5%	0.048	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	112.5	-177.6	-176.3	0	0	0	0	108.8	I166 V219 Y220 I263	I166-V168 HydrophobicContact CG2-CG2 4.13Å; V168-V219 VanDerWaalsContact O-CA 3.28Å; V168-V219 WeakPolarHBondContact O-CA 3.45Å; V168-Y220 HydrophobicContact CB-CD1 4Å; V168-Y220 HydrophobicContact CB-CD2 4.4Å; V168-Y220 HydrophobicContact CB-CE1 3.51Å; V168-Y220 HydrophobicContact CB-CE2 3.94Å; V168-Y220 HydrophobicContact CB-CG 4.44Å; V168-Y220 VanDerWaalsContact CB-CZ 3.46Å; V168-Y220 HydrophobicContact CG1-CD1 4.38Å; V168-Y220 HydrophobicContact CG1-CE1 3.56Å; V168-Y220 HydrophobicContact CG2-CE1 4.26Å; V168-Y220 HydrophobicContact CG2-CE2 3.86Å; V168-Y220 PolarHBondContact N-O 2.96Å; V168-Y220 PolarHBondContact O-N 3.05Å; V168-I263 HydrophobicContact CG1-CG1 4.12Å; V168-I263 HydrophobicContact CG2-CG1 4.25Å; V168-I263 HydrophobicContact CG2-CG2 4.32Å
169	L	98.7	Very high	94.7	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	115.4	170.1	170	60.9	0	0	0	109.2	F57 V58 L66 V107 L111 L171 S218 V219 S261 V262	F57-L169 HydrophobicContact CD1-CD1 4.05Å; V58-L169 HydrophobicContact CG1-CD1 3.95Å; V58-L169 HydrophobicContact CG1-CD2 3.98Å; V58-L169 HydrophobicContact CG2-CD1 4.09Å; L66-L169 HydrophobicContact CD1-CD2 3.97Å; V107-L169 HydrophobicContact CG1-CD2 4Å; L111-L169 HydrophobicContact CD1-CB 4.44Å; L111-L169 HydrophobicContact CD2-CB 4.35Å; L169-L171 HydrophobicContact CD1-CD2 3.93Å; L169-L171 HydrophobicContact CD2-CD2 4.08Å; L169-L171 HydrophobicContact CG-CD2 3.81Å; L169-L171 HydrophobicContact CG-CG 4.14Å; L169-S218 WeakPolarHBondContact CA-O 3.34Å; L169-V219 HydrophobicContact CB-CG2 3.77Å; L169-V219 HydrophobicContact CD1-CG2 3.83Å; L169-V219 HydrophobicContact CG-CG2 4.38Å; L169-S261 CarbonylContact O-C 3.43Å; L169-S261 VanDerWaalsContact O-CA 3.26Å; L169-S261 WeakPolarHBondContact O-CA 3.4Å; L169-V262 HydrophobicContact CB-CB 4.16Å; L169-V262 HydrophobicContact CD2-CB 4.3Å; L169-V262 PolarHBondContact N-O 3.22Å; L169-V262 PolarHBondContact O-N 3.08Å
170	S	98.3	Very high	95.2	Very high	4 Å²	4	22.8 Å²	22.8	3%	0.028	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.5	178.8	-60.5	0	0	0	0	111.3	I214 R217 S218	S170-I214 WeakPolarHBondContact OG-CG2 3.29Å; S170-R217 VanDerWaalsContact O-CA 3.29Å; S170-R217 WeakPolarHBondContact O-CA 3.29Å; S170-R217 PolarHBondContact O-N 3.11Å; S170-S218 PolarHBondContact N-O 3.33Å
171	L	98.4	Very high	95.7	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	160.9	-177.2	-54.1	175.3	0	0	0	111.4	V58 E63 L66 I67 L169 S173 V260 V262	V58-L171 HydrophobicContact CG2-CD2 3.89Å; E63-L171 HydrophobicContact CB-CD2 4.31Å; E63-L171 HydrophobicContact CG-CB 4.41Å; E63-L171 HydrophobicContact CG-CD2 4.05Å; E63-L171 WeakPolarHBondContact OE1-CA 3.23Å; L66-L171 HydrophobicContact CB-CD1 4.27Å; L66-L171 HydrophobicContact CD1-CD1 4.15Å; L66-L171 HydrophobicContact CD1-CD2 4.47Å; I67-L171 HydrophobicContact CD1-CB 4.25Å; I67-L171 HydrophobicContact CD1-CD1 4.05Å; L169-L171 HydrophobicContact CD1-CD2 3.93Å; L169-L171 HydrophobicContact CD2-CD2 4.08Å; L169-L171 HydrophobicContact CG-CD2 3.81Å; L169-L171 HydrophobicContact CG-CG 4.14Å; L171-S173 PolarHBondContact O-N 3.06Å; L171-V260 WeakPolarHBondContact CA-O 3.48Å; L171-V260 HydrophobicContact CB-CB 4.28Å; L171-V260 WeakPolarHBondContact CB-O 3.27Å; L171-V260 HydrophobicContact CD1-CG1 4.36Å; L171-V260 PolarHBondContact N-O 3.13Å; L171-V260 PolarHBondContact O-N 3.18Å; L171-V262 HydrophobicContact CD1-CG2 4.02Å
172	L	97.6	Very high	96.2	Very high	41 Å²	41	11.2 Å²	11.2	22%	0.215	6%	0.061	C	C	.	.	S	Bend	trans	68.5	-45.1	177.6	-59.9	-179.1	0	0	0	116.4	E63 I67 R216 R258 V260	E63-L172 PolarHBondContact OE1-N 2.82Å; I67-L172 HydrophobicContact CD1-CD1 3.94Å; I67-L172 HydrophobicContact CD1-CD2 3.93Å; I67-L172 HydrophobicContact CD1-CG 3.75Å; I67-L172 HydrophobicContact CG1-CD2 3.74Å; I67-L172 HydrophobicContact CG1-CG 4.14Å; I67-L172 HydrophobicContact CG2-CD2 4.3Å; L172-R216 PolarHBondContact O-NE 3.21Å; L172-R216 PolarHBondContact O-NH1 3.29Å; L172-R258 WeakPolarHBondContact CB-O 3.13Å; L172-R258 HydrophobicContact CD1-CB 4.25Å; L172-R258 HydrophobicContact CD1-CG 3.99Å; L172-V260 HydrophobicContact CD1-CB 4.33Å; L172-V260 HydrophobicContact CD1-CG2 3.71Å; L172-V260 HydrophobicContact CG-CG2 4.48Å
173	S	96.9	Very high	96.4	Very high	17 Å²	17	12.7 Å²	12.7	12%	0.119	7%	0.071	C	C	.	.	S	Bend	trans	-141	148.2	-178	-56.6	0	0	0	0	110.8	L171 G257 R258	L171-S173 PolarHBondContact O-N 3.06Å; S173-G257 PolarHBondContact OG-N 2.91Å; S173-R258 PolarHBondContact OG-O 2.83Å
174	D	95.8	Very high	96.3	Very high	50 Å²	50	16.2 Å²	16.2	27%	0.267	9%	0.087	S	C	.	.			trans	-59.3	163.4	167.9	-56.5	-30.4	0	0	0	109.6	F213 I214 P215 R216 R256	D174-F213 HydrophobicContact CB-CE2 3.89Å; D174-F213 HydrophobicContact CB-CZ 3.81Å; D174-I214 CarbonylContact C-O 3.51Å; D174-I214 WeakPolarHBondContact CA-O 3.46Å; D174-P215 WeakPolarHBondContact OD1-CA 3.4Å; D174-R216 WeakPolarHBondContact OD1-CG 3.46Å; D174-R216 PolarHBondContact OD1-N 2.69Å; D174-R256 WeakPolarHBondContact O-CD 3.18Å; D174-R256 WeakPolarHBondContact O-CG 3.12Å
175	S	95.7	Very high	96.2	Very high	6 Å²	6	20.7 Å²	20.7	4%	0.042	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	161.5	179.7	-69.2	0	0	0	0	110.9	I214 R259	S175-I214 PolarHBondContact N-O 3.43Å; S175-I214 PolarHBondContact O-N 3.07Å; S175-R259 WeakPolarHBondContact OG-CD 3.15Å
176	I	95.8	Very high	96.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	116.1	168.1	-59.8	-57.7	0	0	0	107.6	D211 F213 L235 V240 L251 Y252 L254	I176-D211 HydrophobicContact CG2-CB 3.78Å; I176-F213 HydrophobicContact CD1-CB 4.44Å; I176-F213 HydrophobicContact CD1-CD2 3.92Å; I176-L235 HydrophobicContact CB-CB 4.39Å; I176-L235 HydrophobicContact CB-CD1 4.15Å; I176-L235 HydrophobicContact CB-CG 4.32Å; I176-L235 HydrophobicContact CG2-CD1 3.63Å; I176-L235 HydrophobicContact CG2-CG 4.1Å; I176-L235 PolarHBondContact O-N 3.39Å; I176-L235 VanDerWaalsContact O-N 3.14Å; I176-V240 HydrophobicContact CB-CG2 4.43Å; I176-V240 HydrophobicContact CG1-CG2 4.09Å; I176-L251 HydrophobicContact CD1-CD1 3.62Å; I176-L251 HydrophobicContact CD1-CG 4.07Å; I176-Y252 HydrophobicContact CG2-CE1 4.45Å; I176-L254 HydrophobicContact CD1-CD2 3.72Å; I176-L254 HydrophobicContact CG1-CD2 4.03Å
177	L	97.5	Very high	95.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	119.3	171.2	174.4	67.3	0	0	0	108.3	L51 L179 D211 V212 I214 Y220 H232 A233 I234	L51-L177 HydrophobicContact CD1-CD2 4.16Å; L177-L179 HydrophobicContact CD1-CD2 4.4Å; L177-L179 HydrophobicContact CD2-CD1 4.24Å; L177-L179 HydrophobicContact CD2-CD2 4.35Å; L177-L179 HydrophobicContact CD2-CG 4.22Å; L177-L179 HydrophobicContact CG-CD2 4.36Å; L177-L179 HydrophobicContact CG-CG 4.14Å; L177-D211 CarbonylContact O-C 3.52Å; L177-D211 WeakPolarHBondContact O-CA 3.49Å; L177-V212 PolarHBondContact N-O 3.18Å; L177-V212 PolarHBondContact O-N 3.43Å; L177-I214 HydrophobicContact CB-CD1 3.98Å; L177-I214 HydrophobicContact CB-CG1 3.59Å; L177-I214 HydrophobicContact CD2-CD1 4.19Å; L177-Y220 HydrophobicContact CD1-CE2 4.26Å; L177-Y220 HydrophobicContact CD2-CD2 3.85Å; L177-Y220 HydrophobicContact CD2-CE2 3.88Å; L177-Y220 HydrophobicContact CD2-CG 4.43Å; L177-H232 HydrophobicContact CD1-CB 4.14Å; L177-A233 WeakPolarHBondContact CA-O 3.44Å; L177-I234 HydrophobicContact CB-CD1 4.26Å; L177-I234 HydrophobicContact CD1-CD1 3.99Å
178	R	97.9	Very high	95.2	Very high	53 Å²	53	30.3 Å²	30.3	20%	0.2	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	126.4	168.9	175.7	165.4	-69.8	173.9	0.1	109.1	W209 I210 D211 H232 A233 L235	R178-W209 HydrophobicContact CG-CB 4.21Å; R178-I210 WeakPolarHBondContact CA-O 3.43Å; R178-D211 VanDerWaalsContact CB-OD1 3.27Å; R178-D211 WeakPolarHBondContact CB-OD1 2.83Å; R178-D211 WeakPolarHBondContact CG-OD1 3.41Å; R178-D211 IonicContact CZ-OD1 3.9Å; R178-D211 IonicContact CZ-OD2 2.96Å; R178-D211 IonicContact NE-OD1 3.61Å; R178-D211 PolarHBondContact NE-OD1 3.19Å; R178-D211 IonicContact NE-OD2 2.77Å; R178-D211 IonicContact NH2-OD1 3.28Å; R178-D211 PolarHBondContact NH2-OD1 3.14Å; R178-D211 IonicContact NH2-OD2 3.98Å; R178-D211 PolarHBondContact NH2-OD2 3.1Å; R178-H232 CarbonylContact O-C 3.46Å; R178-H232 VanDerWaalsContact O-CA 3.29Å; R178-H232 WeakPolarHBondContact O-CA 3.43Å; R178-A233 HydrophobicContact CB-CB 4.27Å; R178-A233 PolarHBondContact N-O 3.16Å; R178-A233 PolarHBondContact O-N 2.86Å; R178-L235 HydrophobicContact CB-CD2 3.89Å; R178-L235 HydrophobicContact CB-CG 4.29Å
179	L	98.3	Very high	94.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.4	170.8	-62.8	165.5	0	0	0	108.3	V47 L177 W209 I210 I222 L226 L230 T231 H232	V47-L179 HydrophobicContact CG1-CD1 3.87Å; V47-L179 HydrophobicContact CG2-CD1 4.17Å; L177-L179 HydrophobicContact CD1-CD2 4.4Å; L177-L179 HydrophobicContact CD2-CD1 4.24Å; L177-L179 HydrophobicContact CD2-CD2 4.35Å; L177-L179 HydrophobicContact CD2-CG 4.22Å; L177-L179 HydrophobicContact CG-CD2 4.36Å; L177-L179 HydrophobicContact CG-CG 4.14Å; L179-W209 CarbonylContact O-C 3.59Å; L179-W209 WeakPolarHBondContact O-CA 3.13Å; L179-W209 WeakPolarHBondContact O-CB 3.28Å; L179-I210 HydrophobicContact CB-CG2 3.86Å; L179-I210 PolarHBondContact N-O 3.4Å; L179-I210 PolarHBondContact O-N 3.03Å; L179-I222 HydrophobicContact CD2-CG2 4.47Å; L179-L226 HydrophobicContact CD1-CD1 4.18Å; L179-L226 HydrophobicContact CD1-CD2 4.35Å; L179-L230 HydrophobicContact CB-CD2 3.81Å; L179-T231 VanDerWaalsContact CA-O 3.29Å; L179-T231 WeakPolarHBondContact CA-O 3.23Å; L179-H232 HydrophobicContact CD2-CB 3.66Å
180	A	98	Very high	94.3	Very high	12 Å²	12	30.1 Å²	30.1	10%	0.099	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	144.6	-179.7	0	0	0	0	0	111.7	A182 S208 W209 L230 T231	A180-A182 PolarHBondContact O-N 2.88Å; A180-A182 VanDerWaalsContact O-N 3.1Å; A180-S208 CarbonylContact C-O 3.53Å; A180-S208 VanDerWaalsContact CA-O 3.29Å; A180-S208 WeakPolarHBondContact CA-O 3.27Å; A180-W209 HydrophobicContact CB-CB 3.74Å; A180-L230 CarbonylContact O-C 3.42Å; A180-L230 WeakPolarHBondContact O-CA 3.29Å; A180-L230 WeakPolarHBondContact O-CB 3.45Å; A180-T231 PolarHBondContact N-O 2.87Å; A180-T231 PolarHBondContact O-N 3.21Å; A180-T231 PolarHBondContact O-OG1 2.86Å
181	V	98	Very high	94	Very high	12 Å²	12	29.9 Å²	29.9	7%	0.073	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	117.3	176.7	179.7	0	0	0	0	108.8	L43 L203 P204 I206 G207 S208	L43-V181 HydrophobicContact CD1-CG2 4.43Å; V181-L203 HydrophobicContact CG2-CB 4.4Å; V181-P204 HydrophobicContact CG2-CG 3.98Å; V181-I206 HydrophobicContact CG1-CG1 4.42Å; V181-G207 PolarHBondContact O-N 2.75Å; V181-S208 PolarHBondContact N-O 2.74Å
182	A	96.6	Very high	93.7	Very high	6 Å²	6	35.6 Å²	35.6	5%	0.05	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-71.7	146.8	-174.4	0	0	0	0	0	110.7	V156 A180 V187 L229 T231	V156-A182 HydrophobicContact CG2-CB 3.82Å; A180-A182 PolarHBondContact O-N 2.88Å; A180-A182 VanDerWaalsContact O-N 3.1Å; A182-V187 HydrophobicContact CB-CG2 4.06Å; A182-L229 VanDerWaalsContact CB-O 3.28Å; A182-L229 WeakPolarHBondContact CB-O 3.07Å; A182-L229 PolarHBondContact N-O 3.23Å; A182-T231 HydrophobicContact CB-CG2 3.85Å
183	P	93.9	Very high	93.3	Very high	37 Å²	37	38.2 Å²	38.2	24%	0.24	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-63.8	146.3	165.3	29.9	-33.4	0	0	0	109.4	S185 E186 I206	P183-S185 PolarHBondContact O-N 3.5Å; P183-S185 VanDerWaalsContact O-N 3.08Å; P183-E186 HydrophobicContact CG-CB 4.11Å; P183-E186 HydrophobicContact CG-CG 3.76Å; P183-E186 VanDerWaalsContact CG-OE1 3.22Å; P183-E186 WeakPolarHBondContact CG-OE1 3.47Å; P183-E186 PolarHBondContact O-N 3.25Å; P183-I206 HydrophobicContact CB-CG2 4.01Å
184	Q	88.8	Confident	93	Very high	75 Å²	75	38 Å²	38	35%	0.35	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-58	-29.2	-177.8	-168.5	179.1	-3.7	0	0	112.6	E186 V187 Y275 T277	Q184-E186 PolarHBondContact O-N 2.7Å; Q184-V187 PolarHBondContact O-N 2.97Å; Q184-V187 VanDerWaalsContact O-N 3.13Å; Q184-Y275 PolarHBondContact NE2-O 2.89Å; Q184-T277 PolarHBondContact OE1-OG1 3.41Å
185	S	89.6	Confident	92.8	Very high	108 Å²	108	38.6 Å²	38.6	76%	0.755	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-62.4	-21.3	174.8	55.2	0	0	0	0	114.5	P183	P183-S185 PolarHBondContact O-N 3.5Å; P183-S185 VanDerWaalsContact O-N 3.08Å
186	E	90.3	Very high	92.7	Very high	80 Å²	80	46.3 Å²	46.3	37%	0.374	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-94.6	-13	176.6	-71.6	177.9	-143.9	0	0	112.8	V156 P183 Q184 V188 T231	V156-E186 HydrophobicContact CG2-CB 4.23Å; P183-E186 HydrophobicContact CG-CB 4.11Å; P183-E186 HydrophobicContact CG-CG 3.76Å; P183-E186 VanDerWaalsContact CG-OE1 3.22Å; P183-E186 WeakPolarHBondContact CG-OE1 3.47Å; P183-E186 PolarHBondContact O-N 3.25Å; Q184-E186 PolarHBondContact O-N 2.7Å; E186-V188 PolarHBondContact O-N 2.75Å; E186-T231 WeakPolarHBondContact OE2-CG2 3.23Å
187	V	89.8	Confident	92.5	Very high	13 Å²	13	50.7 Å²	50.7	8%	0.079	26%	0.261	C	S	.	.			trans	-86.7	88.2	178.2	-174.9	0	0	0	0	109.4	A182 Q184 V190 Y228 L229 Y275	A182-V187 HydrophobicContact CB-CG2 4.06Å; Q184-V187 PolarHBondContact O-N 2.97Å; Q184-V187 VanDerWaalsContact O-N 3.13Å; V187-V190 HydrophobicContact CG1-CG1 4.31Å; V187-Y228 WeakPolarHBondContact CG1-O 3.29Å; V187-L229 HydrophobicContact CG1-CD2 3.83Å; V187-L229 HydrophobicContact CG2-CD2 4.37Å; V187-Y275 HydrophobicContact CB-CD1 4.34Å; V187-Y275 HydrophobicContact CG1-CD1 3.72Å; V187-Y275 HydrophobicContact CG1-CG 3.86Å
188	V	84.6	Confident	92.3	Very high	113 Å²	113	50.8 Å²	50.8	69%	0.685	26%	0.261	S	S	*	.			trans	-71.9	-31.3	-173.7	-177.8	0	0	0	0	113	V159 E186	V159-V188 HydrophobicContact CG2-CG1 4.35Å; E186-V188 PolarHBondContact O-N 2.75Å
189	G	88.2	Confident	92	Very high	4 Å²	4	51 Å²	51	4%	0.041	27%	0.266	C	S	.	.			trans	179.4	155.9	177.7	0	0	0	0	0	113.3	I273	G189-I273 CarbonylContact C-O 3.56Å; G189-I273 WeakPolarHBondContact CA-O 3.21Å
190	V	91.6	Very high	91.8	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	154.4	179.4	-64.3	0	0	0	0	111	V187 Q192 Y195 L198 Y228 L229 L272 I273 Y275	V187-V190 HydrophobicContact CG1-CG1 4.31Å; V190-Q192 PolarHBondContact O-N 3.08Å; V190-Y195 HydrophobicContact CG2-CD2 3.61Å; V190-Y195 HydrophobicContact CG2-CE2 4.39Å; V190-L198 HydrophobicContact CB-CD1 3.69Å; V190-L198 HydrophobicContact CG1-CD1 3.67Å; V190-L198 HydrophobicContact CG2-CD1 4.39Å; V190-Y228 HydrophobicContact CG1-CG 4.48Å; V190-L229 HydrophobicContact CG1-CD2 4.1Å; V190-L272 WeakPolarHBondContact O-CA 2.96Å; V190-I273 HydrophobicContact CG2-CG1 4.2Å; V190-I273 PolarHBondContact N-O 2.91Å; V190-I273 PolarHBondContact O-N 3.34Å; V190-Y275 HydrophobicContact CB-CD2 4.31Å; V190-Y275 HydrophobicContact CG1-CD2 3.64Å; V190-Y275 HydrophobicContact CG1-CE2 4.32Å; V190-Y275 HydrophobicContact CG1-CG 3.95Å; V190-Y275 HydrophobicContact CG2-CD2 3.67Å; V190-Y275 HydrophobicContact CG2-CG 4.41Å
191	P	91.6	Very high	91.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	129.6	173.1	-19.3	32.7	0	0	0	110.3	D193 Q194 Y195 Y228 I269 L272	P191-D193 VanDerWaalsContact CB-OD1 3.26Å; P191-D193 WeakPolarHBondContact CB-OD1 3.43Å; P191-D193 PolarHBondContact O-N 3.13Å; P191-Q194 HydrophobicContact CB-CB 4.18Å; P191-Q194 HydrophobicContact CB-CG 4.04Å; P191-Q194 HydrophobicContact CG-CB 4.49Å; P191-Q194 HydrophobicContact CG-CG 4.36Å; P191-Q194 PolarHBondContact O-N 2.77Å; P191-Y195 PolarHBondContact O-N 3.22Å; P191-Y195 VanDerWaalsContact O-N 3.15Å; P191-Y228 HydrophobicContact CG-CD2 4.36Å; P191-Y228 HydrophobicContact CG-CE1 4.37Å; P191-Y228 HydrophobicContact CG-CE2 3.59Å; P191-I269 HydrophobicContact CB-CD1 4.18Å; P191-I269 HydrophobicContact CG-CD1 3.85Å; P191-L272 HydrophobicContact CG-CD2 4.36Å
192	Q	90.9	Very high	91.4	Very high	120 Å²	120	61 Å²	61	56%	0.561	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-56.3	-37.7	-176.5	-179.5	178.6	-6.7	0	0	113	V190 Q194 Y195 N271 I273	V190-Q192 PolarHBondContact O-N 3.08Å; Q192-Q194 PolarHBondContact O-N 3.21Å; Q192-Y195 WeakPolarHBondContact O-CB 3.49Å; Q192-Y195 PolarHBondContact O-N 3.04Å; Q192-N271 HydrophobicContact CB-CB 4.36Å; Q192-N271 VanDerWaalsContact CB-O 3.3Å; Q192-N271 WeakPolarHBondContact CB-O 3.11Å; Q192-N271 PolarHBondContact N-O 2.91Å; Q192-I273 HydrophobicContact CB-CD1 4.26Å; Q192-I273 HydrophobicContact CB-CG1 4.31Å; Q192-I273 HydrophobicContact CB-CG2 4.15Å; Q192-I273 HydrophobicContact CG-CD1 4.17Å; Q192-I273 HydrophobicContact CG-CG2 4.37Å
193	D	90.1	Very high	91.3	Very high	96 Å²	96	62.6 Å²	62.6	51%	0.513	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-71.2	-17	177.8	60.2	-46.9	0	0	0	113.6	P191 N271	P191-D193 VanDerWaalsContact CB-OD1 3.26Å; P191-D193 WeakPolarHBondContact CB-OD1 3.43Å; P191-D193 PolarHBondContact O-N 3.13Å; D193-N271 PolarHBondContact OD1-ND2 3.37Å
194	Q	90.8	Very high	91.4	Very high	12 Å²	12	61.7 Å²	61.7	6%	0.056	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-100.5	-8.8	175.9	-60.4	-176	22.6	0	0	112.7	E164 P191 Q192 E196 Y197 L198	E164-Q194 PolarHBondContact OE1-NE2 3.23Å; P191-Q194 HydrophobicContact CB-CB 4.18Å; P191-Q194 HydrophobicContact CB-CG 4.04Å; P191-Q194 HydrophobicContact CG-CB 4.49Å; P191-Q194 HydrophobicContact CG-CG 4.36Å; P191-Q194 PolarHBondContact O-N 2.77Å; Q192-Q194 PolarHBondContact O-N 3.21Å; Q194-E196 PolarHBondContact O-N 3.06Å; Q194-Y197 PolarHBondContact O-N 3.42Å; Q194-L198 HydrophobicContact CB-CD1 3.92Å; Q194-L198 HydrophobicContact CB-CG 4.14Å; Q194-L198 WeakPolarHBondContact O-CB 3.46Å; Q194-L198 VanDerWaalsContact O-CG 3.27Å; Q194-L198 WeakPolarHBondContact O-CG 3.4Å; Q194-L198 PolarHBondContact O-N 3.11Å
195	Y	91.7	Very high	91.8	Very high	63 Å²	63	62.8 Å²	62.8	25%	0.247	34%	0.339	C	S	.	.	H	α-helix	trans	-54.8	-48.8	-171.3	-175	-91.5	0	0	0	113.7	V190 P191 Q192 L198 N199 I273 Y275 Y276	V190-Y195 HydrophobicContact CG2-CD2 3.61Å; V190-Y195 HydrophobicContact CG2-CE2 4.39Å; P191-Y195 PolarHBondContact O-N 3.22Å; P191-Y195 VanDerWaalsContact O-N 3.15Å; Q192-Y195 WeakPolarHBondContact O-CB 3.49Å; Q192-Y195 PolarHBondContact O-N 3.04Å; Y195-L198 PolarHBondContact O-N 3.14Å; Y195-N199 WeakPolarHBondContact CE1-ND2 3.4Å; Y195-N199 WeakPolarHBondContact O-CB 3.38Å; Y195-N199 PolarHBondContact O-N 2.8Å; Y195-N199 PolarHBondContact OH-ND2 3.17Å; Y195-I273 HydrophobicContact CD2-CD1 3.38Å; Y195-I273 HydrophobicContact CD2-CG1 3.96Å; Y195-I273 HydrophobicContact CE2-CD1 3.99Å; Y195-I273 HydrophobicContact CG-CD1 3.75Å; Y195-Y275 HydrophobicContact CD2-CD2 4.28Å; Y195-Y275 HydrophobicContact CE2-CD2 4.1Å; Y195-Y276 PolarHBondContact OH-O 2.72Å
196	E	92.2	Very high	92.1	Very high	168 Å²	168	63 Å²	63	79%	0.785	33%	0.331	S	S	*	.	H	α-helix	trans	-64.4	-44.3	-179.5	-174.7	176.9	-177.1	0	0	111.6	Q194 N199 S200	Q194-E196 PolarHBondContact O-N 3.06Å; E196-N199 PolarHBondContact O-N 2.91Å; E196-S200 WeakPolarHBondContact O-CB 3.29Å; E196-S200 PolarHBondContact O-N 3.34Å
197	Y	92.5	Very high	92.4	Very high	93 Å²	93	61.2 Å²	61.2	37%	0.365	33%	0.333	S	S	.	.	H	α-helix	trans	-60.1	-50.3	175.5	166	-106.4	0	0	0	111.2	E50 Q194 N199 S200 L201	E50-Y197 WeakPolarHBondContact OE1-CE1 3.4Å; E50-Y197 PolarHBondContact OE1-OH 3.44Å; Q194-Y197 PolarHBondContact O-N 3.42Å; Y197-N199 VanDerWaalsContact C-N 3.33Å; Y197-N199 PolarHBondContact O-N 2.74Å; Y197-S200 WeakPolarHBondContact O-CB 3.39Å; Y197-S200 PolarHBondContact O-N 2.68Å; Y197-S200 PolarHBondContact O-OG 3.4Å; Y197-L201 HydrophobicContact CE1-CD1 4.33Å; Y197-L201 HydrophobicContact CE2-CD2 4Å; Y197-L201 PolarHBondContact O-N 3.01Å
198	L	93.1	Very high	92.7	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-60.4	-41.4	-179.2	-71.3	175.9	0	0	0	111.9	V190 Q194 Y195 S200 L201 A225 L229 Y275	V190-L198 HydrophobicContact CB-CD1 3.69Å; V190-L198 HydrophobicContact CG1-CD1 3.67Å; V190-L198 HydrophobicContact CG2-CD1 4.39Å; Q194-L198 HydrophobicContact CB-CD1 3.92Å; Q194-L198 HydrophobicContact CB-CG 4.14Å; Q194-L198 WeakPolarHBondContact O-CB 3.46Å; Q194-L198 VanDerWaalsContact O-CG 3.27Å; Q194-L198 WeakPolarHBondContact O-CG 3.4Å; Q194-L198 PolarHBondContact O-N 3.11Å; Y195-L198 PolarHBondContact O-N 3.14Å; L198-S200 VanDerWaalsContact C-N 3.29Å; L198-S200 PolarHBondContact O-N 3.07Å; L198-L201 HydrophobicContact CD2-CD1 4.15Å; L198-L201 WeakPolarHBondContact O-CB 3.42Å; L198-L201 PolarHBondContact O-N 3.2Å; L198-A225 HydrophobicContact CD2-CB 3.89Å; L198-L229 HydrophobicContact CB-CD1 4.11Å; L198-L229 HydrophobicContact CD2-CD1 4.03Å; L198-L229 HydrophobicContact CD2-CG 4.35Å; L198-Y275 HydrophobicContact CB-CE2 4.15Å; L198-Y275 PolarHBondContact O-OH 3.27Å
199	N	91.7	Very high	93.4	Very high	59 Å²	59	59.4 Å²	59.4	32%	0.316	32%	0.315	S	S	.	.	H	α-helix	trans	-70.4	-21.6	175.3	-88.8	-17.1	0	0	0	114	Y195 E196 Y197 L201 Y275	Y195-N199 WeakPolarHBondContact CE1-ND2 3.4Å; Y195-N199 WeakPolarHBondContact O-CB 3.38Å; Y195-N199 PolarHBondContact O-N 2.8Å; Y195-N199 PolarHBondContact OH-ND2 3.17Å; E196-N199 PolarHBondContact O-N 2.91Å; Y197-N199 VanDerWaalsContact C-N 3.33Å; Y197-N199 PolarHBondContact O-N 2.74Å; N199-L201 VanDerWaalsContact C-N 3.31Å; N199-Y275 WeakPolarHBondContact OD1-CE2 3.36Å; N199-Y275 PolarHBondContact OD1-OH 3.31Å; N199-Y275 VanDerWaalsContact OD1-OH 3.06Å
200	S	93.4	Very high	93.7	Very high	84 Å²	84	59.3 Å²	59.3	59%	0.587	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-9.5	177.2	77.5	0	0	0	0	113.7	E196 Y197 L198 D202	E196-S200 WeakPolarHBondContact O-CB 3.29Å; E196-S200 PolarHBondContact O-N 3.34Å; Y197-S200 WeakPolarHBondContact O-CB 3.39Å; Y197-S200 PolarHBondContact O-N 2.68Å; Y197-S200 PolarHBondContact O-OG 3.4Å; L198-S200 VanDerWaalsContact C-N 3.29Å; L198-S200 PolarHBondContact O-N 3.07Å; S200-D202 PolarHBondContact O-N 3.29Å
201	L	93.8	Very high	94	Very high	35 Å²	35	59.3 Å²	59.3	18%	0.183	31%	0.313	C	S	.	.			trans	-70.9	126.2	-178.6	-66.9	174	0	0	0	111	T46 Y197 L198 N199 L203 A225	T46-L201 HydrophobicContact CG2-CD1 4.39Å; Y197-L201 HydrophobicContact CE1-CD1 4.33Å; Y197-L201 HydrophobicContact CE2-CD2 4Å; Y197-L201 PolarHBondContact O-N 3.01Å; L198-L201 HydrophobicContact CD2-CD1 4.15Å; L198-L201 WeakPolarHBondContact O-CB 3.42Å; L198-L201 PolarHBondContact O-N 3.2Å; N199-L201 VanDerWaalsContact C-N 3.31Å; L201-L203 HydrophobicContact CB-CG 4.07Å; L201-L203 PolarHBondContact O-N 3.28Å; L201-A225 HydrophobicContact CD1-CB 3.43Å; L201-A225 VanDerWaalsContact CD1-CB 3.43Å
202	D	94	Very high	94.2	Very high	115 Å²	115	59.6 Å²	59.6	62%	0.615	32%	0.315	S	S	*	.			trans	-77.7	65.9	173.4	-175.3	18.9	0	0	0	110.7	N42 S200	N42-D202 WeakPolarHBondContact CB-O 3.27Å; N42-D202 PolarHBondContact ND2-O 2.98Å; N42-D202 PolarHBondContact ND2-OD2 2.96Å; S200-D202 PolarHBondContact O-N 3.29Å
203	L	95.2	Very high	94.4	Very high	38 Å²	38	55.7 Å²	55.7	20%	0.199	30%	0.296	C	S	.	.			trans	-74.9	141.4	177.8	-68.7	178.8	0	0	0	111	T46 V181 L201 L229 L230	T46-L203 HydrophobicContact CG2-CD2 4.22Å; V181-L203 HydrophobicContact CG2-CB 4.4Å; L201-L203 HydrophobicContact CB-CG 4.07Å; L201-L203 PolarHBondContact O-N 3.28Å; L203-L229 HydrophobicContact CD1-CB 4.2Å; L203-L229 HydrophobicContact CD1-CD1 3.89Å; L203-L230 HydrophobicContact CD1-CD1 4.4Å
204	P	96.4	Very high	94.7	Very high	18 Å²	18	51.1 Å²	51.1	12%	0.117	27%	0.272	C	S	.	.			trans	-68.3	174.3	173.9	33.5	-39	0	0	0	111.8	H40 L43 V181 S208	H40-P204 HydrophobicContact CB-CB 4.12Å; H40-P204 HydrophobicContact CB-CG 3.95Å; L43-P204 HydrophobicContact CB-CG 3.89Å; L43-P204 HydrophobicContact CD2-CG 4.38Å; V181-P204 HydrophobicContact CG2-CG 3.98Å; P204-S208 VanDerWaalsContact CG-CB 3.48Å
205	P	96.1	Very high	94.9	Very high	98 Å²	98	51.4 Å²	51.4	64%	0.636	28%	0.275	S	S	*	.	S	Bend	trans	-52.8	151.1	179.8	-28	35.9	0	0	0	113.9	G207 S208	P205-G207 PolarHBondContact O-N 3.33Å; P205-S208 WeakPolarHBondContact O-CB 3.22Å; P205-S208 PolarHBondContact O-N 3.19Å; P205-S208 PolarHBondContact O-OG 3.02Å
206	I	96.1	Very high	95.1	Very high	113 Å²	113	52.3 Å²	52.3	58%	0.579	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	137.5	176	-65.3	166	0	0	0	110.8	V181 P183 S208	V181-I206 HydrophobicContact CG1-CG1 4.42Å; P183-I206 HydrophobicContact CB-CG2 4.01Å; I206-S208 PolarHBondContact O-N 3.49Å
207	G	95.8	Very high	95.4	Very high	42 Å²	42	46.4 Å²	46.4	43%	0.433	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	-8.8	-177.4	0	0	0	0	0	114.8	V181 P205 W209	V181-G207 PolarHBondContact O-N 2.75Å; P205-G207 PolarHBondContact O-N 3.33Å; G207-W209 PolarHBondContact O-N 3.33Å
208	S	97.9	Very high	95.7	Very high	11 Å²	11	42 Å²	42	8%	0.077	23%	0.231	C	C	.	.			trans	-60.9	132.9	167.6	-61.5	0	0	0	0	109.9	H40 A180 V181 P204 P205 I206	H40-S208 PolarHBondContact CE1-OG 3.36Å; H40-S208 VanDerWaalsContact CE1-OG 3.28Å; H40-S208 PolarHBondContact NE2-OG 3.39Å; A180-S208 CarbonylContact C-O 3.53Å; A180-S208 VanDerWaalsContact CA-O 3.29Å; A180-S208 WeakPolarHBondContact CA-O 3.27Å; V181-S208 PolarHBondContact N-O 2.74Å; P204-S208 VanDerWaalsContact CG-CB 3.48Å; P205-S208 WeakPolarHBondContact O-CB 3.22Å; P205-S208 PolarHBondContact O-N 3.19Å; P205-S208 PolarHBondContact O-OG 3.02Å; I206-S208 PolarHBondContact O-N 3.49Å
209	W	97.5	Very high	95.9	Very high	77 Å²	77	41.9 Å²	41.9	29%	0.292	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	163.6	-168.5	61.1	-96.5	0	0	0	114.2	N37 S38 L43 R178 L179 A180 G207 D211	N37-W209 WeakPolarHBondContact O-CZ3 3.41Å; S38-W209 WeakPolarHBondContact CB-O 3.45Å; S38-W209 PolarHBondContact OG-O 3.25Å; L43-W209 VanDerWaalsContact CD2-C 3.42Å; R178-W209 HydrophobicContact CG-CB 4.21Å; L179-W209 CarbonylContact O-C 3.59Å; L179-W209 WeakPolarHBondContact O-CA 3.13Å; L179-W209 WeakPolarHBondContact O-CB 3.28Å; A180-W209 HydrophobicContact CB-CB 3.74Å; G207-W209 PolarHBondContact O-N 3.33Å; W209-D211 HydrophobicContact CE3-CB 4.38Å; W209-D211 HydrophobicContact CZ3-CB 3.97Å; W209-D211 VanDerWaalsContact CZ3-OD2 3.27Å; W209-D211 WeakPolarHBondContact CZ3-OD2 3.4Å
210	I	96.4	Very high	96.2	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134	167.9	-178.1	166.6	0	0	0	109.6	C36 N37 L43 I44 V47 R178 L179 V212	C36-I210 HydrophobicContact CB-CD1 4.21Å; C36-I210 HydrophobicContact CB-CG1 4.31Å; N37-I210 WeakPolarHBondContact O-CA 3.32Å; L43-I210 HydrophobicContact CD2-CB 4.19Å; L43-I210 HydrophobicContact CD2-CG2 4.13Å; L43-I210 HydrophobicContact CG-CB 4.38Å; L43-I210 HydrophobicContact CG-CG2 4.1Å; I44-I210 HydrophobicContact CB-CD1 4.45Å; I44-I210 HydrophobicContact CG1-CD1 3.92Å; V47-I210 HydrophobicContact CB-CD1 4.39Å; V47-I210 HydrophobicContact CB-CG2 4.36Å; V47-I210 HydrophobicContact CG1-CD1 4.33Å; V47-I210 HydrophobicContact CG1-CG2 4.31Å; V47-I210 HydrophobicContact CG2-CG2 3.62Å; R178-I210 WeakPolarHBondContact CA-O 3.43Å; L179-I210 HydrophobicContact CB-CG2 3.86Å; L179-I210 PolarHBondContact N-O 3.4Å; L179-I210 PolarHBondContact O-N 3.03Å; I210-V212 HydrophobicContact CD1-CG2 4.39Å; I210-V212 HydrophobicContact CG1-CG2 4.1Å
211	D	96.2	Very high	96.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	135.3	169.3	-72.2	-14	0	0	0	109.5	C36 N37 I176 L177 R178 W209 L251 Y252	C36-D211 CarbonylContact C-O 3.6Å; C36-D211 WeakPolarHBondContact CA-O 3.48Å; C36-D211 WeakPolarHBondContact CB-O 3.26Å; N37-D211 HydrophobicContact CB-CB 4.47Å; N37-D211 PolarHBondContact N-O 3.33Å; N37-D211 PolarHBondContact O-N 2.68Å; I176-D211 HydrophobicContact CG2-CB 3.78Å; L177-D211 CarbonylContact O-C 3.52Å; L177-D211 WeakPolarHBondContact O-CA 3.49Å; R178-D211 VanDerWaalsContact CB-OD1 3.27Å; R178-D211 WeakPolarHBondContact CB-OD1 2.83Å; R178-D211 WeakPolarHBondContact CG-OD1 3.41Å; R178-D211 IonicContact CZ-OD1 3.9Å; R178-D211 IonicContact CZ-OD2 2.96Å; R178-D211 IonicContact NE-OD1 3.61Å; R178-D211 PolarHBondContact NE-OD1 3.19Å; R178-D211 IonicContact NE-OD2 2.77Å; R178-D211 IonicContact NH2-OD1 3.28Å; R178-D211 PolarHBondContact NH2-OD1 3.14Å; R178-D211 IonicContact NH2-OD2 3.98Å; R178-D211 PolarHBondContact NH2-OD2 3.1Å; W209-D211 HydrophobicContact CE3-CB 4.38Å; W209-D211 HydrophobicContact CZ3-CB 3.97Å; W209-D211 VanDerWaalsContact CZ3-OD2 3.27Å; W209-D211 WeakPolarHBondContact CZ3-OD2 3.4Å; D211-L251 HydrophobicContact CB-CD2 4.15Å; D211-Y252 HydrophobicContact CB-CE1 4.34Å; D211-Y252 WeakPolarHBondContact OD2-CE1 3.46Å; D211-Y252 PolarHBondContact OD2-OH 2.9Å
212	V	96	Very high	96.5	Very high	6 Å²	6	33.9 Å²	33.9	4%	0.036	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.9	-179.1	-174.3	0	0	0	0	109.2	T34 C36 V47 L51 L177 I210 I214	T34-V212 HydrophobicContact CG2-CG1 3.64Å; C36-V212 HydrophobicContact CB-CG2 4.37Å; V47-V212 HydrophobicContact CG1-CG2 4.37Å; L51-V212 HydrophobicContact CD2-CB 4.42Å; L51-V212 HydrophobicContact CD2-CG1 3.94Å; L51-V212 HydrophobicContact CD2-CG2 4.16Å; L177-V212 PolarHBondContact N-O 3.18Å; L177-V212 PolarHBondContact O-N 3.43Å; I210-V212 HydrophobicContact CD1-CG2 4.39Å; I210-V212 HydrophobicContact CG1-CG2 4.1Å; V212-I214 HydrophobicContact CG1-CD1 4.12Å; V212-I214 PolarHBondContact O-N 3.05Å
213	F	95.5	Very high	96.5	Very high	39 Å²	39	30.4 Å²	30.4	17%	0.171	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	125.9	172	-173.3	-107	0	0	0	110.6	T34 K35 D174 I176 P215 L251 L254	T34-F213 HydrophobicContact CG2-CB 4.12Å; T34-F213 WeakPolarHBondContact CG2-O 3.46Å; K35-F213 HydrophobicContact CB-CB 4.2Å; K35-F213 WeakPolarHBondContact O-CB 3.32Å; K35-F213 PolarHBondContact O-N 2.9Å; D174-F213 HydrophobicContact CB-CE2 3.89Å; D174-F213 HydrophobicContact CB-CZ 3.81Å; I176-F213 HydrophobicContact CD1-CB 4.44Å; I176-F213 HydrophobicContact CD1-CD2 3.92Å; F213-P215 HydrophobicContact CD1-CG 3.83Å; F213-P215 HydrophobicContact CE1-CB 3.99Å; F213-P215 HydrophobicContact CE1-CG 3.69Å; F213-L251 HydrophobicContact CB-CD1 3.49Å; F213-L251 VanDerWaalsContact CB-CD1 3.49Å; F213-L251 HydrophobicContact CD2-CD1 4.21Å; F213-L251 HydrophobicContact CG-CD1 4.29Å; F213-L254 HydrophobicContact CD2-CD2 3.91Å; F213-L254 HydrophobicContact CE2-CD2 3.69Å
214	I	96.1	Very high	96.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	103.9	175.2	-54.6	-57.3	0	0	0	107.9	L53 S170 D174 S175 L177 V212 Y220	L53-I214 HydrophobicContact CD1-CD1 4.1Å; S170-I214 WeakPolarHBondContact OG-CG2 3.29Å; D174-I214 CarbonylContact C-O 3.51Å; D174-I214 WeakPolarHBondContact CA-O 3.46Å; S175-I214 PolarHBondContact N-O 3.43Å; S175-I214 PolarHBondContact O-N 3.07Å; L177-I214 HydrophobicContact CB-CD1 3.98Å; L177-I214 HydrophobicContact CB-CG1 3.59Å; L177-I214 HydrophobicContact CD2-CD1 4.19Å; V212-I214 HydrophobicContact CG1-CD1 4.12Å; V212-I214 PolarHBondContact O-N 3.05Å; I214-Y220 HydrophobicContact CD1-CD1 4.1Å; I214-Y220 HydrophobicContact CD1-CG 4.17Å; I214-Y220 HydrophobicContact CG1-CD1 4.22Å; I214-Y220 HydrophobicContact CG2-CD1 3.66Å; I214-Y220 HydrophobicContact CG2-CE1 4.16Å
215	P	95.5	Very high	96.3	Very high	18 Å²	18	27.8 Å²	27.8	12%	0.117	14%	0.144	C	C	.	.			trans	-62.8	146.3	176.1	-15.3	26.1	0	0	0	111.1	Q55 D174 F213 S218	Q55-P215 HydrophobicContact CG-CG 4.27Å; D174-P215 WeakPolarHBondContact OD1-CA 3.4Å; F213-P215 HydrophobicContact CD1-CG 3.83Å; F213-P215 HydrophobicContact CE1-CB 3.99Å; F213-P215 HydrophobicContact CE1-CG 3.69Å; P215-S218 VanDerWaalsContact O-CB 3.25Å; P215-S218 WeakPolarHBondContact O-CB 3.49Å; P215-S218 PolarHBondContact O-N 2.98Å; P215-S218 PolarHBondContact O-OG 2.89Å
216	R	96.6	Very high	96.3	Very high	81 Å²	81	23.1 Å²	23.1	31%	0.306	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	154	163.7	67.6	-176.4	-69.3	-176.2	-6.2	110.1	E63 L172 D174 S218	E63-R216 VanDerWaalsContact CD-NH2 3.26Å; E63-R216 IonicContact OE1-CZ 3.52Å; E63-R216 IonicContact OE1-NE 3.53Å; E63-R216 PolarHBondContact OE1-NE 2.88Å; E63-R216 IonicContact OE1-NH2 2.71Å; E63-R216 PolarHBondContact OE1-NH2 2.97Å; E63-R216 IonicContact OE2-CZ 3.26Å; E63-R216 IonicContact OE2-NE 3.77Å; E63-R216 IonicContact OE2-NH2 2.85Å; E63-R216 PolarHBondContact OE2-NH2 3.36Å; L172-R216 PolarHBondContact O-NE 3.21Å; L172-R216 PolarHBondContact O-NH1 3.29Å; D174-R216 WeakPolarHBondContact OD1-CG 3.46Å; D174-R216 PolarHBondContact OD1-N 2.69Å; R216-S218 PolarHBondContact O-N 3.26Å
217	R	98.1	Very high	96.3	Very high	44 Å²	44	17.9 Å²	17.9	17%	0.166	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	11.2	-174.1	-57.8	179.5	-75.9	-95.5	4.7	114.8	F57 V58 E60 E63 S170	F57-R217 WeakPolarHBondContact CA-O 3.23Å; F57-R217 WeakPolarHBondContact CB-O 3.48Å; F57-R217 PolarHBondContact N-O 3.05Å; V58-R217 HydrophobicContact CG2-CB 3.55Å; V58-R217 HydrophobicContact CG2-CG 3.72Å; V58-R217 PolarHBondContact N-O 2.96Å; V58-R217 VanDerWaalsContact N-O 3.15Å; V58-R217 WeakPolarHBondContact O-CB 3.47Å; E60-R217 IonicContact OE1-NH2 3.83Å; E63-R217 HydrophobicContact CB-CG 4.12Å; E63-R217 VanDerWaalsContact CD-CG 3.44Å; E63-R217 HydrophobicContact CG-CG 4.32Å; E63-R217 WeakPolarHBondContact OE1-CG 3.47Å; E63-R217 WeakPolarHBondContact OE2-CD 2.93Å; E63-R217 WeakPolarHBondContact OE2-CG 3.25Å; E63-R217 IonicContact OE2-CZ 3.84Å; E63-R217 IonicContact OE2-NH1 3.85Å; E63-R217 PolarHBondContact OE2-NH1 3.19Å; S170-R217 VanDerWaalsContact O-CA 3.29Å; S170-R217 WeakPolarHBondContact O-CA 3.29Å; S170-R217 PolarHBondContact O-N 3.11Å
218	S	97.9	Very high	96.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.067	C	C	.	.			trans	-96.6	160	173.6	76.4	0	0	0	0	111.7	K54 L169 S170 P215 R216	K54-S218 CarbonylContact O-C 3.56Å; K54-S218 VanDerWaalsContact O-CA 3.24Å; K54-S218 WeakPolarHBondContact O-CA 3.29Å; K54-S218 VanDerWaalsContact O-CB 3.31Å; K54-S218 WeakPolarHBondContact O-CB 3.38Å; L169-S218 WeakPolarHBondContact CA-O 3.34Å; S170-S218 PolarHBondContact N-O 3.33Å; P215-S218 VanDerWaalsContact O-CB 3.25Å; P215-S218 WeakPolarHBondContact O-CB 3.49Å; P215-S218 PolarHBondContact O-N 2.98Å; P215-S218 PolarHBondContact O-OG 2.89Å; R216-S218 PolarHBondContact O-N 3.26Å
219	V	98.3	Very high	96.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.3	165.5	167.5	0	0	0	0	108.6	L53 K54 F57 L111 A167 V168 L169 I221	L53-V219 CarbonylContact C-O 3.56Å; L53-V219 WeakPolarHBondContact CA-O 3.32Å; K54-V219 PolarHBondContact N-O 3.28Å; K54-V219 PolarHBondContact O-N 2.67Å; F57-V219 HydrophobicContact CB-CB 4.2Å; F57-V219 HydrophobicContact CB-CG2 3.81Å; F57-V219 HydrophobicContact CD1-CB 4.37Å; F57-V219 HydrophobicContact CD1-CG2 3.29Å; F57-V219 HydrophobicContact CD2-CB 4.01Å; F57-V219 HydrophobicContact CD2-CG2 3.76Å; F57-V219 HydrophobicContact CE1-CG2 3.71Å; F57-V219 HydrophobicContact CE2-CB 4.49Å; F57-V219 HydrophobicContact CE2-CG2 4.12Å; F57-V219 HydrophobicContact CG-CB 3.93Å; F57-V219 HydrophobicContact CG-CG2 3.32Å; F57-V219 HydrophobicContact CZ-CG2 4.08Å; L111-V219 HydrophobicContact CD1-CG1 4.02Å; L111-V219 HydrophobicContact CD1-CG2 3.77Å; A167-V219 HydrophobicContact CB-CG1 4.13Å; V168-V219 VanDerWaalsContact O-CA 3.28Å; V168-V219 WeakPolarHBondContact O-CA 3.45Å; L169-V219 HydrophobicContact CB-CG2 3.77Å; L169-V219 HydrophobicContact CD1-CG2 3.83Å; L169-V219 HydrophobicContact CG-CG2 4.38Å; V219-I221 HydrophobicContact CG1-CD1 4.5Å; V219-I221 HydrophobicContact CG1-CG1 3.94Å
220	Y	97.6	Very high	96.1	Very high	7 Å²	7	12.2 Å²	12.2	3%	0.027	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	150.9	163.4	73	-91.1	0	0	0	110.8	L51 I52 A167 V168 L177 I214 I222	L51-Y220 HydrophobicContact CD1-CD2 4.37Å; I52-Y220 CarbonylContact O-C 3.56Å; I52-Y220 WeakPolarHBondContact O-CA 3.46Å; A167-Y220 WeakPolarHBondContact CA-O 3.48Å; V168-Y220 HydrophobicContact CB-CD1 4Å; V168-Y220 HydrophobicContact CB-CD2 4.4Å; V168-Y220 HydrophobicContact CB-CE1 3.51Å; V168-Y220 HydrophobicContact CB-CE2 3.94Å; V168-Y220 HydrophobicContact CB-CG 4.44Å; V168-Y220 VanDerWaalsContact CB-CZ 3.46Å; V168-Y220 HydrophobicContact CG1-CD1 4.38Å; V168-Y220 HydrophobicContact CG1-CE1 3.56Å; V168-Y220 HydrophobicContact CG2-CE1 4.26Å; V168-Y220 HydrophobicContact CG2-CE2 3.86Å; V168-Y220 PolarHBondContact N-O 2.96Å; V168-Y220 PolarHBondContact O-N 3.05Å; L177-Y220 HydrophobicContact CD1-CE2 4.26Å; L177-Y220 HydrophobicContact CD2-CD2 3.85Å; L177-Y220 HydrophobicContact CD2-CE2 3.88Å; L177-Y220 HydrophobicContact CD2-CG 4.43Å; I214-Y220 HydrophobicContact CD1-CD1 4.1Å; I214-Y220 HydrophobicContact CD1-CG 4.17Å; I214-Y220 HydrophobicContact CG1-CD1 4.22Å; I214-Y220 HydrophobicContact CG2-CD1 3.66Å; I214-Y220 HydrophobicContact CG2-CE1 4.16Å; Y220-I222 HydrophobicContact CD2-CG2 4.27Å; Y220-I222 HydrophobicContact CE2-CG2 4.31Å
221	I	97.2	Very high	96.2	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	122.6	-177.5	-45.6	172.1	0	0	0	108.8	I52 T114 S118 I166 A167 V219	I52-I221 HydrophobicContact CB-CB 4.12Å; I52-I221 HydrophobicContact CB-CD1 4.09Å; I52-I221 HydrophobicContact CB-CG1 4.29Å; I52-I221 HydrophobicContact CD1-CD1 4.4Å; I52-I221 HydrophobicContact CG2-CD1 3.95Å; I52-I221 HydrophobicContact CG2-CG1 4.45Å; I52-I221 PolarHBondContact N-O 2.9Å; I52-I221 PolarHBondContact O-N 2.99Å; T114-I221 HydrophobicContact CG2-CD1 3.61Å; S118-I221 WeakPolarHBondContact OG-CD1 3.4Å; I166-I221 VanDerWaalsContact O-CA 3.28Å; I166-I221 WeakPolarHBondContact O-CA 3.2Å; A167-I221 HydrophobicContact CB-CG1 3.95Å; A167-I221 HydrophobicContact CB-CG2 4.48Å; V219-I221 HydrophobicContact CG1-CD1 4.5Å; V219-I221 HydrophobicContact CG1-CG1 3.94Å
222	I	95.7	Very high	96.3	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.01	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131.5	171.3	57.4	178.1	0	0	0	109.4	L51 I166 L179 Y220 L226	L51-I222 HydrophobicContact CD1-CG2 4.02Å; I166-I222 HydrophobicContact CB-CD1 4.18Å; I166-I222 HydrophobicContact CB-CG1 3.73Å; I166-I222 HydrophobicContact CD1-CD1 4.14Å; I166-I222 HydrophobicContact CD1-CG1 4.41Å; I166-I222 HydrophobicContact CG1-CG1 4.38Å; I166-I222 HydrophobicContact CG2-CG1 4.46Å; I166-I222 PolarHBondContact N-O 3.31Å; I166-I222 VanDerWaalsContact N-O 3.07Å; I166-I222 PolarHBondContact O-N 3.43Å; L179-I222 HydrophobicContact CD2-CG2 4.47Å; Y220-I222 HydrophobicContact CD2-CG2 4.27Å; Y220-I222 HydrophobicContact CE2-CG2 4.31Å; I222-L226 HydrophobicContact CB-CB 4.32Å; I222-L226 HydrophobicContact CG2-CB 4.43Å
223	R	94.3	Very high	96.3	Very high	43 Å²	43	13.3 Å²	13.3	16%	0.162	6%	0.058	C	C	.	.			trans	-151.4	167.5	-178.9	64.5	-174.6	179.9	161.7	6.4	109.5	E50 S118 E164 L226 R227	E50-R223 WeakPolarHBondContact O-CG 3.24Å; E50-R223 PolarHBondContact O-NE 3.24Å; S118-R223 WeakPolarHBondContact O-CD 3.33Å; S118-R223 PolarHBondContact O-NH1 3Å; E164-R223 WeakPolarHBondContact O-CA 3Å; R223-L226 WeakPolarHBondContact O-CB 3.3Å; R223-L226 PolarHBondContact O-N 3.28Å; R223-R227 PolarHBondContact O-N 3.09Å
224	G	92.8	Very high	96.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	-137	174.8	0	0	0	0	0	113.6	L226 R227 Y228	G224-L226 PolarHBondContact O-N 3.45Å; G224-R227 WeakPolarHBondContact O-CB 3.29Å; G224-R227 PolarHBondContact O-N 2.91Å; G224-Y228 WeakPolarHBondContact O-CD2 3.5Å; G224-Y228 PolarHBondContact O-N 3.17Å; G224-Y228 VanDerWaalsContact O-N 3.09Å
225	A	94.7	Very high	96.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-54.5	-37.4	175.2	0	0	0	0	0	112.2	T46 E50 L198 L201 R227 Y228 L229 L230	T46-A225 HydrophobicContact CG2-CB 4.08Å; E50-A225 WeakPolarHBondContact OE2-CA 3.49Å; E50-A225 VanDerWaalsContact OE2-CB 3.26Å; E50-A225 WeakPolarHBondContact OE2-CB 3.44Å; E50-A225 PolarHBondContact OE2-N 2.93Å; L198-A225 HydrophobicContact CD2-CB 3.89Å; L201-A225 HydrophobicContact CD1-CB 3.43Å; L201-A225 VanDerWaalsContact CD1-CB 3.43Å; A225-R227 PolarHBondContact O-N 3Å; A225-Y228 PolarHBondContact O-N 2.86Å; A225-L229 HydrophobicContact CB-CB 4.46Å; A225-L229 HydrophobicContact CB-CD1 4.28Å; A225-L229 HydrophobicContact CB-CG 4.48Å; A225-L229 WeakPolarHBondContact O-CA 3.37Å; A225-L229 WeakPolarHBondContact O-CB 3.5Å; A225-L229 PolarHBondContact O-N 3.44Å; A225-L230 HydrophobicContact CB-CD1 4.42Å; A225-L230 WeakPolarHBondContact O-CD1 3.2Å; A225-L230 PolarHBondContact O-N 3.28Å
226	L	96.2	Very high	96.4	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-65.5	-27.4	178.7	-48.4	-173	0	0	0	113.1	V47 E50 L51 L179 I222 R223 G224 L230	V47-L226 HydrophobicContact CB-CD2 4.3Å; V47-L226 HydrophobicContact CG1-CD1 4.46Å; V47-L226 HydrophobicContact CG2-CD2 3.62Å; E50-L226 HydrophobicContact CB-CD1 3.87Å; E50-L226 HydrophobicContact CB-CG 3.83Å; E50-L226 PolarHBondContact OE2-N 2.96Å; L51-L226 HydrophobicContact CB-CD1 3.51Å; L51-L226 HydrophobicContact CD1-CD1 4.21Å; L51-L226 HydrophobicContact CG-CD1 4.44Å; L51-L226 VanDerWaalsContact N-CD1 3.3Å; L179-L226 HydrophobicContact CD1-CD1 4.18Å; L179-L226 HydrophobicContact CD1-CD2 4.35Å; I222-L226 HydrophobicContact CB-CB 4.32Å; I222-L226 HydrophobicContact CG2-CB 4.43Å; R223-L226 WeakPolarHBondContact O-CB 3.3Å; R223-L226 PolarHBondContact O-N 3.28Å; G224-L226 PolarHBondContact O-N 3.45Å; L226-L230 HydrophobicContact CD2-CD1 4.4Å; L226-L230 HydrophobicContact CD2-CD2 3.64Å
227	R	95.2	Very high	96.3	Very high	3 Å²	3	8.1 Å²	8.1	1%	0.011	4%	0.037	C	C	.	.	H	α-helix	trans	-81.3	-37.6	178	169	63.5	-169.4	94.5	-3.4	111.6	D157 S158 C162 G163 R223 G224 A225	D157-R227 PolarHBondContact O-NH1 3.38Å; D157-R227 PolarHBondContact O-NH2 3.1Å; S158-R227 PolarHBondContact O-NH2 3.33Å; S158-R227 VanDerWaalsContact O-NH2 3.14Å; C162-R227 PolarHBondContact O-NH2 3.22Å; G163-R227 PolarHBondContact O-NE 3.31Å; R223-R227 PolarHBondContact O-N 3.09Å; G224-R227 WeakPolarHBondContact O-CB 3.29Å; G224-R227 PolarHBondContact O-N 2.91Å; A225-R227 PolarHBondContact O-N 3Å
228	Y	94.7	Very high	96.1	Very high	4 Å²	4	12.5 Å²	12.5	2%	0.016	6%	0.059	C	C	.	.	H	α-helix	trans	-111.7	-33	-167.9	-59.7	-69.7	0	0	0	115.1	V159 E164 V187 V190 P191 G224 A225 L272	V159-Y228 HydrophobicContact CG1-CD1 4.2Å; V159-Y228 HydrophobicContact CG1-CE1 4.19Å; E164-Y228 WeakPolarHBondContact CA-OH 3.46Å; V187-Y228 WeakPolarHBondContact CG1-O 3.29Å; V190-Y228 HydrophobicContact CG1-CG 4.48Å; P191-Y228 HydrophobicContact CG-CD2 4.36Å; P191-Y228 HydrophobicContact CG-CE1 4.37Å; P191-Y228 HydrophobicContact CG-CE2 3.59Å; G224-Y228 WeakPolarHBondContact O-CD2 3.5Å; G224-Y228 PolarHBondContact O-N 3.17Å; G224-Y228 VanDerWaalsContact O-N 3.09Å; A225-Y228 PolarHBondContact O-N 2.86Å; Y228-L272 HydrophobicContact CE1-CD2 4.49Å
229	L	96.2	Very high	95.8	Very high	5 Å²	5	15.3 Å²	15.3	3%	0.026	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-9.7	-172.5	-56.4	-170.6	0	0	0	113.5	A182 V187 V190 L198 L203 A225 Y275	A182-L229 VanDerWaalsContact CB-O 3.28Å; A182-L229 WeakPolarHBondContact CB-O 3.07Å; A182-L229 PolarHBondContact N-O 3.23Å; V187-L229 HydrophobicContact CG1-CD2 3.83Å; V187-L229 HydrophobicContact CG2-CD2 4.37Å; V190-L229 HydrophobicContact CG1-CD2 4.1Å; L198-L229 HydrophobicContact CB-CD1 4.11Å; L198-L229 HydrophobicContact CD2-CD1 4.03Å; L198-L229 HydrophobicContact CD2-CG 4.35Å; L203-L229 HydrophobicContact CD1-CB 4.2Å; L203-L229 HydrophobicContact CD1-CD1 3.89Å; A225-L229 HydrophobicContact CB-CB 4.46Å; A225-L229 HydrophobicContact CB-CD1 4.28Å; A225-L229 HydrophobicContact CB-CG 4.48Å; A225-L229 WeakPolarHBondContact O-CA 3.37Å; A225-L229 WeakPolarHBondContact O-CB 3.5Å; A225-L229 PolarHBondContact O-N 3.44Å; L229-Y275 HydrophobicContact CD1-CE1 4.42Å; L229-Y275 HydrophobicContact CD2-CD1 3.77Å; L229-Y275 HydrophobicContact CD2-CD2 4.3Å; L229-Y275 HydrophobicContact CD2-CE1 3.45Å; L229-Y275 VanDerWaalsContact CD2-CE1 3.45Å; L229-Y275 HydrophobicContact CD2-CE2 4.01Å; L229-Y275 HydrophobicContact CD2-CG 4.17Å
230	L	97.5	Very high	95.6	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138.6	178.9	-76.8	71.2	0	0	0	110.2	L43 V47 L179 A180 L203 A225 L226	L43-L230 HydrophobicContact CD1-CD2 3.7Å; V47-L230 HydrophobicContact CG2-CD2 4.32Å; L179-L230 HydrophobicContact CB-CD2 3.81Å; A180-L230 CarbonylContact O-C 3.42Å; A180-L230 WeakPolarHBondContact O-CA 3.29Å; A180-L230 WeakPolarHBondContact O-CB 3.45Å; L203-L230 HydrophobicContact CD1-CD1 4.4Å; A225-L230 HydrophobicContact CB-CD1 4.42Å; A225-L230 WeakPolarHBondContact O-CD1 3.2Å; A225-L230 PolarHBondContact O-N 3.28Å; L226-L230 HydrophobicContact CD2-CD1 4.4Å; L226-L230 HydrophobicContact CD2-CD2 3.64Å
231	T	97.6	Very high	95.3	Very high	10 Å²	10	17.2 Å²	17.2	6%	0.061	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	151.3	161.9	60.3	0	0	0	0	109.2	A154 H155 V156 L179 A180 A182 E186	A154-T231 HydrophobicContact CB-CG2 4.46Å; H155-T231 CarbonylContact O-C 3.57Å; H155-T231 VanDerWaalsContact O-CA 3.29Å; H155-T231 WeakPolarHBondContact O-CA 3.15Å; V156-T231 HydrophobicContact CG2-CG2 3.94Å; L179-T231 VanDerWaalsContact CA-O 3.29Å; L179-T231 WeakPolarHBondContact CA-O 3.23Å; A180-T231 PolarHBondContact N-O 2.87Å; A180-T231 PolarHBondContact O-N 3.21Å; A180-T231 PolarHBondContact O-OG1 2.86Å; A182-T231 HydrophobicContact CB-CG2 3.85Å; E186-T231 WeakPolarHBondContact OE2-CG2 3.23Å
232	H	97.6	Very high	95	Very high	15 Å²	15	21.9 Å²	21.9	7%	0.069	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.3	171.8	73.4	-69.7	0	0	0	110.8	A154 H155 D157 L177 R178 L179	A154-H232 WeakPolarHBondContact CA-O 3.4Å; H155-H232 AromaticContact CD2-CE1 3.75Å; H155-H232 AromaticContact CE1-CD2 3.98Å; H155-H232 AromaticContact CE1-CE1 3.24Å; H155-H232 PolarHBondContact CE1-CE1 3.07Å; H155-H232 AromaticContact CE1-ND1 3.85Å; H155-H232 AromaticContact CE1-NE2 3.31Å; H155-H232 PolarHBondContact CE1-NE2 2.91Å; H155-H232 VanDerWaalsContact CE1-NE2 3.31Å; H155-H232 PolarHBondContact N-O 2.65Å; H155-H232 VanDerWaalsContact N-O 3.17Å; H155-H232 AromaticContact ND1-CE1 3.97Å; H155-H232 PolarHBondContact ND1-O 2.78Å; H155-H232 AromaticContact NE2-CE1 3.09Å; H155-H232 PolarHBondContact NE2-CE1 3.31Å; H155-H232 AromaticContact NE2-ND1 3.98Å; H155-H232 AromaticContact NE2-NE2 3.43Å; H155-H232 PolarHBondContact NE2-NE2 3.45Å; H155-H232 PolarHBondContact O-N 3.17Å; H155-H232 PolarHBondContact O-ND1 3.25Å; D157-H232 IonicContact OD2-CE1 3.62Å; D157-H232 PolarHBondContact OD2-CE1 3.41Å; D157-H232 VanDerWaalsContact OD2-CE1 3.28Å; D157-H232 IonicContact OD2-NE2 3.53Å; L177-H232 HydrophobicContact CD1-CB 4.14Å; R178-H232 CarbonylContact O-C 3.46Å; R178-H232 VanDerWaalsContact O-CA 3.29Å; R178-H232 WeakPolarHBondContact O-CA 3.43Å; L179-H232 HydrophobicContact CD2-CB 3.66Å
233	A	97.8	Very high	94.7	Very high	7 Å²	7	22.8 Å²	22.8	6%	0.058	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	150.2	-178.7	0	0	0	0	0	110.7	I152 A154 L177 R178	I152-A233 CarbonylContact O-C 3.58Å; I152-A233 VanDerWaalsContact O-CA 3.27Å; I152-A233 WeakPolarHBondContact O-CA 3.29Å; I152-A233 VanDerWaalsContact O-CB 3.22Å; I152-A233 WeakPolarHBondContact O-CB 3.32Å; A154-A233 HydrophobicContact CB-CB 4.45Å; L177-A233 WeakPolarHBondContact CA-O 3.44Å; R178-A233 HydrophobicContact CB-CB 4.27Å; R178-A233 PolarHBondContact N-O 3.16Å; R178-A233 PolarHBondContact O-N 2.86Å
234	I	97.4	Very high	94.3	Very high	6 Å²	6	24.9 Å²	24.9	3%	0.031	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	110.6	168	-61.4	-61.5	0	0	0	107.3	L146 I152 L177	L146-I234 HydrophobicContact CD1-CG2 4.32Å; I152-I234 HydrophobicContact CB-CB 4.03Å; I152-I234 HydrophobicContact CB-CG1 4.34Å; I152-I234 HydrophobicContact CD1-CB 4.14Å; I152-I234 HydrophobicContact CD1-CG1 3.78Å; I152-I234 HydrophobicContact CG1-CB 4.16Å; I152-I234 HydrophobicContact CG1-CG1 4.34Å; I152-I234 PolarHBondContact N-O 2.71Å; I152-I234 PolarHBondContact O-N 3.42Å; L177-I234 HydrophobicContact CB-CD1 4.26Å; L177-I234 HydrophobicContact CD1-CD1 3.99Å
235	L	95.7	Very high	93.9	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	15%	0.148	C	C	.	.			trans	-63.8	145.7	-172.1	-58.5	-173.3	0	0	0	111.9	I176 R178 Q239 V240 I243 R256	I176-L235 HydrophobicContact CB-CB 4.39Å; I176-L235 HydrophobicContact CB-CD1 4.15Å; I176-L235 HydrophobicContact CB-CG 4.32Å; I176-L235 HydrophobicContact CG2-CD1 3.63Å; I176-L235 HydrophobicContact CG2-CG 4.1Å; I176-L235 PolarHBondContact O-N 3.39Å; I176-L235 VanDerWaalsContact O-N 3.14Å; R178-L235 HydrophobicContact CB-CD2 3.89Å; R178-L235 HydrophobicContact CB-CG 4.29Å; L235-Q239 HydrophobicContact CB-CB 4.37Å; L235-V240 HydrophobicContact CB-CG2 3.85Å; L235-V240 HydrophobicContact CD1-CG2 4.26Å; L235-I243 HydrophobicContact CD1-CD1 4.07Å; L235-R256 PolarHBondContact O-NH2 2.66Å
236	S	95	Very high	93.4	Very high	7 Å²	7	37.2 Å²	37.2	5%	0.049	18%	0.179	C	C	.	.			trans	-74.8	162.8	174.3	80.7	0	0	0	0	112	E238 Q239 V240 R256	S236-E238 PolarHBondContact O-N 3.43Å; S236-E238 PolarHBondContact OG-N 3.25Å; S236-Q239 PolarHBondContact O-N 2.84Å; S236-Q239 WeakPolarHBondContact OG-CG 3.36Å; S236-Q239 PolarHBondContact OG-N 3.04Å; S236-V240 WeakPolarHBondContact O-CG2 3.37Å; S236-V240 PolarHBondContact O-N 2.68Å; S236-R256 PolarHBondContact O-NH2 3.42Å
237	N	94.5	Very high	92.4	Very high	14 Å²	14	41.1 Å²	41.1	8%	0.075	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-34.9	173.6	-83.8	-21.5	0	0	0	111.4	E148 N241 R256	E148-N237 WeakPolarHBondContact CG-ND2 3.26Å; E148-N237 PolarHBondContact O-ND2 2.73Å; N237-N241 VanDerWaalsContact O-CB 3.28Å; N237-N241 WeakPolarHBondContact O-CB 3.36Å; N237-N241 PolarHBondContact O-N 3.41Å; N237-N241 PolarHBondContact O-ND2 2.74Å; N237-N241 VanDerWaalsContact O-ND2 3.13Å; N237-R256 PolarHBondContact ND2-O 2.93Å; N237-R256 VanDerWaalsContact OD1-CZ 3.23Å; N237-R256 PolarHBondContact OD1-N 3.45Å; N237-R256 PolarHBondContact OD1-NH1 3.49Å
238	E	93.3	Very high	91.1	Very high	135 Å²	135	46.9 Å²	46.9	63%	0.631	24%	0.238	S	C	*	.	H	α-helix	trans	-61.5	-54.1	176.1	-176.9	173.8	-160.9	0	0	110.8	S236 V240 N241 E242	S236-E238 PolarHBondContact O-N 3.43Å; S236-E238 PolarHBondContact OG-N 3.25Å; E238-V240 VanDerWaalsContact C-N 3.33Å; E238-V240 PolarHBondContact O-N 3.26Å; E238-N241 WeakPolarHBondContact O-CB 3.15Å; E238-N241 PolarHBondContact O-N 3.12Å; E238-N241 VanDerWaalsContact O-N 3.1Å; E238-E242 WeakPolarHBondContact O-CG 3.4Å; E238-E242 PolarHBondContact O-N 3.04Å
239	Q	93.2	Very high	90.3	Very high	60 Å²	60	49.5 Å²	49.5	28%	0.28	25%	0.252	S	S	.	.	H	α-helix	trans	-58.1	-43	177.8	-71.2	171.3	-36.7	0	0	112.5	L235 S236 E242 I243	L235-Q239 HydrophobicContact CB-CB 4.37Å; S236-Q239 PolarHBondContact O-N 2.84Å; S236-Q239 WeakPolarHBondContact OG-CG 3.36Å; S236-Q239 PolarHBondContact OG-N 3.04Å; Q239-E242 PolarHBondContact O-N 2.65Å; Q239-I243 WeakPolarHBondContact O-CD1 3.49Å; Q239-I243 VanDerWaalsContact O-CG1 3.22Å; Q239-I243 WeakPolarHBondContact O-CG1 3.47Å; Q239-I243 PolarHBondContact O-N 3.03Å
240	V	93.2	Very high	89.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.6	-39.1	178.2	169.9	0	0	0	0	111.3	I176 L235 S236 E238 R244 Y252 L254 R256	I176-V240 HydrophobicContact CB-CG2 4.43Å; I176-V240 HydrophobicContact CG1-CG2 4.09Å; L235-V240 HydrophobicContact CB-CG2 3.85Å; L235-V240 HydrophobicContact CD1-CG2 4.26Å; S236-V240 WeakPolarHBondContact O-CG2 3.37Å; S236-V240 PolarHBondContact O-N 2.68Å; E238-V240 VanDerWaalsContact C-N 3.33Å; E238-V240 PolarHBondContact O-N 3.26Å; V240-R244 VanDerWaalsContact O-CB 3.26Å; V240-R244 WeakPolarHBondContact O-CB 3.18Å; V240-R244 PolarHBondContact O-N 2.72Å; V240-Y252 HydrophobicContact CG1-CD1 4.29Å; V240-Y252 WeakPolarHBondContact CG1-O 3.12Å; V240-L254 HydrophobicContact CG1-CG 4.46Å; V240-R256 VanDerWaalsContact CG2-NH2 3.32Å
241	N	91.1	Very high	89.2	Confident	47 Å²	47	53.9 Å²	53.9	25%	0.251	28%	0.275	S	S	.	.	H	α-helix	trans	-65.8	-42.4	176.3	-75.8	-26.7	0	0	0	112	N237 E238 R244 N245	N237-N241 VanDerWaalsContact O-CB 3.28Å; N237-N241 WeakPolarHBondContact O-CB 3.36Å; N237-N241 PolarHBondContact O-N 3.41Å; N237-N241 PolarHBondContact O-ND2 2.74Å; N237-N241 VanDerWaalsContact O-ND2 3.13Å; E238-N241 WeakPolarHBondContact O-CB 3.15Å; E238-N241 PolarHBondContact O-N 3.12Å; E238-N241 VanDerWaalsContact O-N 3.1Å; N241-R244 PolarHBondContact O-N 3.46Å; N241-N245 WeakPolarHBondContact O-CB 3.4Å; N241-N245 PolarHBondContact O-N 3.29Å; N241-N245 PolarHBondContact O-ND2 2.99Å; N241-N245 PolarHBondContact O-OD1 3.24Å
242	E	90.5	Very high	88.8	Confident	98 Å²	98	53.4 Å²	53.4	46%	0.458	27%	0.272	S	S	.	.	H	α-helix	trans	-57.7	-53.3	174.9	-72.4	172.1	170.9	0	0	110.8	E238 Q239 R244 N245 E246	E238-E242 WeakPolarHBondContact O-CG 3.4Å; E238-E242 PolarHBondContact O-N 3.04Å; Q239-E242 PolarHBondContact O-N 2.65Å; E242-R244 VanDerWaalsContact C-N 3.32Å; E242-R244 PolarHBondContact O-N 2.9Å; E242-N245 PolarHBondContact O-N 3.09Å; E242-N245 VanDerWaalsContact O-N 3.11Å; E242-E246 WeakPolarHBondContact O-CG 3.41Å; E242-E246 PolarHBondContact O-N 3.2Å
243	I	89.7	Confident	88.3	Confident	21 Å²	21	57.7 Å²	57.7	11%	0.108	30%	0.296	C	S	.	.	H	α-helix	trans	-61.9	-40.9	-179.5	-61.6	161.3	0	0	0	111.2	L235 Q239 N245 E246 H247 Y252	L235-I243 HydrophobicContact CD1-CD1 4.07Å; Q239-I243 WeakPolarHBondContact O-CD1 3.49Å; Q239-I243 VanDerWaalsContact O-CG1 3.22Å; Q239-I243 WeakPolarHBondContact O-CG1 3.47Å; Q239-I243 PolarHBondContact O-N 3.03Å; I243-N245 VanDerWaalsContact C-N 3.3Å; I243-N245 PolarHBondContact O-N 3.26Å; I243-E246 PolarHBondContact O-N 2.87Å; I243-H247 PolarHBondContact O-N 2.78Å; I243-Y252 HydrophobicContact CB-CD1 4.33Å; I243-Y252 HydrophobicContact CB-CE1 4.38Å; I243-Y252 HydrophobicContact CB-CG 4.4Å; I243-Y252 HydrophobicContact CD1-CE1 4.1Å; I243-Y252 HydrophobicContact CG2-CD1 4.07Å; I243-Y252 HydrophobicContact CG2-CD2 3.65Å; I243-Y252 HydrophobicContact CG2-CE1 3.85Å; I243-Y252 HydrophobicContact CG2-CE2 3.44Å; I243-Y252 VanDerWaalsContact CG2-CE2 3.44Å; I243-Y252 HydrophobicContact CG2-CG 3.96Å
244	R	87.7	Confident	87.9	Confident	87 Å²	87	58.3 Å²	58.3	33%	0.328	30%	0.298	S	S	.	.	H	α-helix	trans	-61.5	-38.5	176.7	-175.5	-168.9	65.6	175	-5.3	112.2	V240 N241 E242 E246 H247	V240-R244 VanDerWaalsContact O-CB 3.26Å; V240-R244 WeakPolarHBondContact O-CB 3.18Å; V240-R244 PolarHBondContact O-N 2.72Å; N241-R244 PolarHBondContact O-N 3.46Å; E242-R244 VanDerWaalsContact C-N 3.32Å; E242-R244 PolarHBondContact O-N 2.9Å; R244-E246 VanDerWaalsContact C-N 3.33Å; R244-H247 CarbonylContact C-O 3.53Å; R244-H247 WeakPolarHBondContact CA-O 3.44Å; R244-H247 CarbonylContact O-C 3.37Å; R244-H247 VanDerWaalsContact O-O 3.07Å
245	N	84.4	Confident	87.2	Confident	118 Å²	118	64.1 Å²	64.1	63%	0.631	33%	0.325	S	S	*	.	H	α-helix	trans	-71.4	-31.7	179.5	-66.3	-17.3	0	0	0	111.5	N241 E242 I243	N241-N245 WeakPolarHBondContact O-CB 3.4Å; N241-N245 PolarHBondContact O-N 3.29Å; N241-N245 PolarHBondContact O-ND2 2.99Å; N241-N245 PolarHBondContact O-OD1 3.24Å; E242-N245 PolarHBondContact O-N 3.09Å; E242-N245 VanDerWaalsContact O-N 3.11Å; I243-N245 VanDerWaalsContact C-N 3.3Å; I243-N245 PolarHBondContact O-N 3.26Å
246	E	82.7	Confident	87	Confident	140 Å²	140	64.2 Å²	64.2	65%	0.654	33%	0.325	S	S	*	.	H	α-helix	trans	-78.5	-40.5	175	-67.8	177.3	178.5	0	0	112.9	E242 I243 R244	E242-E246 WeakPolarHBondContact O-CG 3.41Å; E242-E246 PolarHBondContact O-N 3.2Å; I243-E246 PolarHBondContact O-N 2.87Å; R244-E246 VanDerWaalsContact C-N 3.33Å
247	H	74.6	Confident	87	Confident	83 Å²	83	65.2 Å²	65.2	38%	0.384	34%	0.337	S	S	.	.	S	Bend	trans	-131.7	109	-173.6	-55	82.6	0	0	0	107.7	I243 R244 I249	I243-H247 PolarHBondContact O-N 2.78Å; R244-H247 CarbonylContact C-O 3.53Å; R244-H247 WeakPolarHBondContact CA-O 3.44Å; R244-H247 CarbonylContact O-C 3.37Å; R244-H247 VanDerWaalsContact O-O 3.07Å; H247-I249 HydrophobicContact CB-CD1 3.68Å; H247-I249 HydrophobicContact CB-CG1 3.9Å; H247-I249 PolarHBondContact O-N 3.03Å
248	S	68.3	Low	87	Confident	125 Å²	125	67 Å²	67	87%	0.874	34%	0.342	S	S	*	.			trans	-71.4	59.3	177	-54.3	0	0	0	0	112.1
249	I	79.1	Confident	87.2	Confident	58 Å²	58	60.8 Å²	60.8	30%	0.297	31%	0.313	S	S	.	.			trans	-98.1	125.2	179.2	-56.2	167.6	0	0	0	107.8	H247 L251 Y252	H247-I249 HydrophobicContact CB-CD1 3.68Å; H247-I249 HydrophobicContact CB-CG1 3.9Å; H247-I249 PolarHBondContact O-N 3.03Å; I249-L251 HydrophobicContact CG2-CB 3.79Å; I249-L251 PolarHBondContact O-N 2.93Å; I249-Y252 HydrophobicContact CB-CD2 3.93Å; I249-Y252 HydrophobicContact CB-CE2 4.18Å; I249-Y252 HydrophobicContact CD1-CE2 4.13Å; I249-Y252 HydrophobicContact CG2-CD2 4.38Å; I249-Y252 HydrophobicContact CG2-CE2 4.39Å; I249-Y252 PolarHBondContact O-N 3.24Å
250	D	83.6	Confident	87.4	Confident	94 Å²	94	58 Å²	58	50%	0.503	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-57.3	-23.8	-177.5	-175.9	52.7	0	0	0	113.9	K35 Y252 N253	K35-D250 WeakPolarHBondContact CE-OD2 3.49Å; K35-D250 IonicContact NZ-OD2 3.63Å; K35-D250 PolarHBondContact NZ-OD2 2.77Å; D250-Y252 PolarHBondContact O-N 2.82Å; D250-N253 WeakPolarHBondContact O-CB 3.46Å; D250-N253 PolarHBondContact O-N 3.14Å; D250-N253 VanDerWaalsContact O-N 3.11Å
251	L	86.6	Confident	87.6	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.021	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-49.9	-38	170.6	176.1	59.5	0	0	0	113	K35 N37 I176 D211 F213 I249 L254	K35-L251 HydrophobicContact CB-CB 4.45Å; K35-L251 HydrophobicContact CB-CD1 3.82Å; K35-L251 WeakPolarHBondContact O-CD1 3.39Å; N37-L251 HydrophobicContact CB-CD2 3.59Å; I176-L251 HydrophobicContact CD1-CD1 3.62Å; I176-L251 HydrophobicContact CD1-CG 4.07Å; D211-L251 HydrophobicContact CB-CD2 4.15Å; F213-L251 HydrophobicContact CB-CD1 3.49Å; F213-L251 VanDerWaalsContact CB-CD1 3.49Å; F213-L251 HydrophobicContact CD2-CD1 4.21Å; F213-L251 HydrophobicContact CG-CD1 4.29Å; I249-L251 HydrophobicContact CG2-CB 3.79Å; I249-L251 PolarHBondContact O-N 2.93Å; L251-L254 WeakPolarHBondContact O-CD2 3.11Å
252	Y	89.3	Confident	88	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-97.8	6.5	-174.6	-55.4	-73.3	0	0	0	112.8	N37 I176 D211 V240 I243 I249 D250 L254	N37-Y252 HydrophobicContact CB-CE2 4.38Å; N37-Y252 WeakPolarHBondContact CB-OH 3.28Å; N37-Y252 PolarHBondContact ND2-OH 3.21Å; I176-Y252 HydrophobicContact CG2-CE1 4.45Å; D211-Y252 HydrophobicContact CB-CE1 4.34Å; D211-Y252 WeakPolarHBondContact OD2-CE1 3.46Å; D211-Y252 PolarHBondContact OD2-OH 2.9Å; V240-Y252 HydrophobicContact CG1-CD1 4.29Å; V240-Y252 WeakPolarHBondContact CG1-O 3.12Å; I243-Y252 HydrophobicContact CB-CD1 4.33Å; I243-Y252 HydrophobicContact CB-CE1 4.38Å; I243-Y252 HydrophobicContact CB-CG 4.4Å; I243-Y252 HydrophobicContact CD1-CE1 4.1Å; I243-Y252 HydrophobicContact CG2-CD1 4.07Å; I243-Y252 HydrophobicContact CG2-CD2 3.65Å; I243-Y252 HydrophobicContact CG2-CE1 3.85Å; I243-Y252 HydrophobicContact CG2-CE2 3.44Å; I243-Y252 VanDerWaalsContact CG2-CE2 3.44Å; I243-Y252 HydrophobicContact CG2-CG 3.96Å; I249-Y252 HydrophobicContact CB-CD2 3.93Å; I249-Y252 HydrophobicContact CB-CE2 4.18Å; I249-Y252 HydrophobicContact CD1-CE2 4.13Å; I249-Y252 HydrophobicContact CG2-CD2 4.38Å; I249-Y252 HydrophobicContact CG2-CE2 4.39Å; I249-Y252 PolarHBondContact O-N 3.24Å; D250-Y252 PolarHBondContact O-N 2.82Å; Y252-L254 PolarHBondContact O-N 2.79Å
253	N	87.6	Confident	88.4	Confident	106 Å²	106	52.8 Å²	52.8	57%	0.567	28%	0.276	S	S	*	.			trans	-83.2	61.6	178.9	-169.4	25.7	0	0	0	111.7	D250	D250-N253 WeakPolarHBondContact O-CB 3.46Å; D250-N253 PolarHBondContact O-N 3.14Å; D250-N253 VanDerWaalsContact O-N 3.11Å
254	L	87.8	Confident	88.7	Confident	19 Å²	19	51.8 Å²	51.8	10%	0.099	27%	0.271	C	S	.	.			trans	-147.1	131.3	-179.5	64.9	107	0	0	0	111.4	I176 F213 V240 L251 Y252 R256	I176-L254 HydrophobicContact CD1-CD2 3.72Å; I176-L254 HydrophobicContact CG1-CD2 4.03Å; F213-L254 HydrophobicContact CD2-CD2 3.91Å; F213-L254 HydrophobicContact CE2-CD2 3.69Å; V240-L254 HydrophobicContact CG1-CG 4.46Å; L251-L254 WeakPolarHBondContact O-CD2 3.11Å; Y252-L254 PolarHBondContact O-N 2.79Å; L254-R256 HydrophobicContact CD1-CG 3.29Å
255	H	82.4	Confident	89.1	Confident	129 Å²	129	49.3 Å²	49.3	60%	0.597	26%	0.262	S	S	*	.			trans	-111.2	126.9	170.8	-179.5	68.3	0	0	0	108.7	E148	E148-H255 IonicContact OE1-CE1 2.67Å; E148-H255 PolarHBondContact OE1-CE1 3.2Å; E148-H255 IonicContact OE1-NE2 3.31Å; E148-H255 PolarHBondContact OE1-NE2 2.64Å
256	R	91.7	Very high	89.6	Confident	3 Å²	3	44.4 Å²	44.4	1%	0.011	24%	0.236	C	C	.	.			trans	-113.7	131.7	-167.4	-54.2	177.4	-70.7	-70.4	11.6	109.4	E148 D174 L235 S236 N237 V240 L254	E148-R256 WeakPolarHBondContact CG-O 3.43Å; D174-R256 WeakPolarHBondContact O-CD 3.18Å; D174-R256 WeakPolarHBondContact O-CG 3.12Å; L235-R256 PolarHBondContact O-NH2 2.66Å; S236-R256 PolarHBondContact O-NH2 3.42Å; N237-R256 PolarHBondContact ND2-O 2.93Å; N237-R256 VanDerWaalsContact OD1-CZ 3.23Å; N237-R256 PolarHBondContact OD1-N 3.45Å; N237-R256 PolarHBondContact OD1-NH1 3.49Å; V240-R256 VanDerWaalsContact CG2-NH2 3.32Å; L254-R256 HydrophobicContact CD1-CG 3.29Å
257	G	94.7	Very high	90	Very high	29 Å²	29	41.6 Å²	41.6	30%	0.299	22%	0.223	S	C	.	.			trans	-78.3	-142.6	165	0	0	0	0	0	110.9	S173 R259	S173-G257 PolarHBondContact OG-N 2.91Å; G257-R259 PolarHBondContact O-NH1 3.04Å
258	R	95.4	Very high	90.5	Very high	52 Å²	52	39.7 Å²	39.7	20%	0.196	22%	0.219	C	C	.	.			trans	-55.1	141	170.6	-172.7	-178.9	171.7	-148.4	-1.1	111.6	D71 D145 L172 S173 V260	D71-R258 VanDerWaalsContact CG-NH1 3.28Å; D71-R258 IonicContact OD1-CZ 3.34Å; D71-R258 IonicContact OD1-NH1 3.18Å; D71-R258 PolarHBondContact OD1-NH1 2.85Å; D71-R258 IonicContact OD1-NH2 3.73Å; D71-R258 PolarHBondContact OD1-NH2 3.07Å; D71-R258 IonicContact OD2-NH1 3.8Å; D71-R258 PolarHBondContact OD2-NH1 3.41Å; D145-R258 VanDerWaalsContact CG-NE 3.26Å; D145-R258 VanDerWaalsContact OD1-CG 3.27Å; D145-R258 WeakPolarHBondContact OD1-CG 3.22Å; D145-R258 IonicContact OD1-CZ 2.6Å; D145-R258 IonicContact OD1-NE 2.81Å; D145-R258 PolarHBondContact OD1-NE 3.42Å; D145-R258 IonicContact OD1-NH2 2.88Å; D145-R258 IonicContact OD2-CZ 3.39Å; D145-R258 IonicContact OD2-NE 2.96Å; D145-R258 PolarHBondContact OD2-NE 3.39Å; D145-R258 VanDerWaalsContact OD2-NE 3.09Å; D145-R258 IonicContact OD2-NH2 3.09Å; D145-R258 PolarHBondContact OD2-NH2 3.2Å; L172-R258 WeakPolarHBondContact CB-O 3.13Å; L172-R258 HydrophobicContact CD1-CB 4.25Å; L172-R258 HydrophobicContact CD1-CG 3.99Å; S173-R258 PolarHBondContact OG-O 2.83Å; R258-V260 HydrophobicContact CG-CG2 4.45Å
259	R	96.9	Very high	91.1	Very high	3 Å²	3	35.8 Å²	35.8	1%	0.011	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125	177.2	-68.4	165.5	-70.9	-80.8	14.7	109.1	L146 A147 E148 G150 S175 G257	L146-R259 HydrophobicContact CB-CB 4.26Å; L146-R259 PolarHBondContact N-O 2.92Å; L146-R259 PolarHBondContact O-N 3.32Å; A147-R259 PolarHBondContact O-NH2 3.42Å; A147-R259 VanDerWaalsContact O-NH2 3.11Å; E148-R259 PolarHBondContact O-NH1 3.36Å; E148-R259 PolarHBondContact O-NH2 3.06Å; G150-R259 PolarHBondContact O-NH2 3.38Å; S175-R259 WeakPolarHBondContact OG-CD 3.15Å; G257-R259 PolarHBondContact O-NH1 3.04Å
260	V	97.9	Very high	91.1	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.2	177.5	174.7	0	0	0	0	108.9	I67 L70 V143 L144 D145 L171 L172 R258	I67-V260 HydrophobicContact CD1-CB 3.98Å; I67-V260 HydrophobicContact CD1-CG1 4.07Å; I67-V260 HydrophobicContact CD1-CG2 4.11Å; L70-V260 HydrophobicContact CD1-CG1 4.07Å; V143-V260 HydrophobicContact CG1-CG1 4.1Å; L144-V260 CarbonylContact O-C 3.58Å; L144-V260 WeakPolarHBondContact O-CA 2.95Å; D145-V260 HydrophobicContact CB-CG2 4.05Å; L171-V260 WeakPolarHBondContact CA-O 3.48Å; L171-V260 HydrophobicContact CB-CB 4.28Å; L171-V260 WeakPolarHBondContact CB-O 3.27Å; L171-V260 HydrophobicContact CD1-CG1 4.36Å; L171-V260 PolarHBondContact N-O 3.13Å; L171-V260 PolarHBondContact O-N 3.18Å; L172-V260 HydrophobicContact CD1-CB 4.33Å; L172-V260 HydrophobicContact CD1-CG2 3.71Å; L172-V260 HydrophobicContact CG-CG2 4.48Å; R258-V260 HydrophobicContact CG-CG2 4.45Å
261	S	98.3	Very high	91.2	Very high	13 Å²	13	39.2 Å²	39.2	9%	0.091	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	130.8	179.2	-66	0	0	0	0	110.1	V143 L144 L169	V143-S261 WeakPolarHBondContact CA-O 3.4Å; L144-S261 PolarHBondContact N-O 3.24Å; L144-S261 PolarHBondContact O-N 2.91Å; L169-S261 CarbonylContact O-C 3.43Å; L169-S261 VanDerWaalsContact O-CA 3.26Å; L169-S261 WeakPolarHBondContact O-CA 3.4Å
262	V	98.5	Very high	91.3	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	115.1	170.4	-176.9	0	0	0	0	107.9	L70 W99 L111 I141 V143 L169 L171	L70-V262 HydrophobicContact CD1-CG2 4.25Å; W99-V262 HydrophobicContact CH2-CG1 4.06Å; W99-V262 HydrophobicContact CH2-CG2 4.25Å; W99-V262 HydrophobicContact CZ2-CG1 3.99Å; L111-V262 HydrophobicContact CD2-CG1 4.03Å; I141-V262 HydrophobicContact CG2-CG1 3.4Å; I141-V262 VanDerWaalsContact CG2-CG1 3.4Å; V143-V262 HydrophobicContact CG2-CG2 4.4Å; L169-V262 HydrophobicContact CB-CB 4.16Å; L169-V262 HydrophobicContact CD2-CB 4.3Å; L169-V262 PolarHBondContact N-O 3.22Å; L169-V262 PolarHBondContact O-N 3.08Å; L171-V262 HydrophobicContact CD1-CG2 4.02Å
263	I	98.3	Very high	91.3	Very high	22 Å²	22	44 Å²	44	11%	0.113	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.5	-164.7	-55.9	165.1	0	0	0	109.3	H142 L144 I166 A167 V168 R265	H142-I263 HydrophobicContact CB-CB 4.17Å; H142-I263 PolarHBondContact N-O 3.02Å; H142-I263 PolarHBondContact O-N 3.29Å; L144-I263 HydrophobicContact CB-CD1 4.15Å; I166-I263 HydrophobicContact CG2-CG2 3.9Å; A167-I263 WeakPolarHBondContact O-CA 3.38Å; V168-I263 HydrophobicContact CG1-CG1 4.12Å; V168-I263 HydrophobicContact CG2-CG1 4.25Å; V168-I263 HydrophobicContact CG2-CG2 4.32Å; I263-R265 HydrophobicContact CG2-CG 4.09Å
264	C	97.5	Very high	91.3	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.007	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.2	174.8	-176.9	0	0	0	0	109.5	L111 T115 I141 A167	L111-C264 HydrophobicContact CD2-CB 3.89Å; L111-C264 HydrophobicContact CG-CB 3.82Å; T115-C264 WeakPolarHBondContact OG1-CB 3.37Å; T115-C264 PolarHBondContact OG1-SG 2.8Å; T115-C264 VanDerWaalsContact OG1-SG 3.33Å; I141-C264 HydrophobicContact CD1-CB 4.1Å; A167-C264 PolarHBondContact N-O 2.87Å; A167-C264 PolarHBondContact O-N 3.42Å
265	R	95.8	Very high	91.1	Very high	34 Å²	34	42.2 Å²	42.2	13%	0.128	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139.2	-173.7	-63.7	167.7	-76.4	179.5	4.2	109.3	E95 V137 L138 C162 I166 I263	E95-R265 IonicContact OE1-NH2 3.99Å; E95-R265 PolarHBondContact OE1-NH2 2.95Å; V137-R265 CarbonylContact C-O 3.58Å; V137-R265 WeakPolarHBondContact CA-O 3.4Å; V137-R265 WeakPolarHBondContact CB-O 3.33Å; L138-R265 HydrophobicContact CD1-CB 3.8Å; L138-R265 HydrophobicContact CG-CB 4.22Å; L138-R265 PolarHBondContact N-O 3.44Å; C162-R265 WeakPolarHBondContact SG-CD 3.48Å; I166-R265 HydrophobicContact CG1-CG 4.36Å; I166-R265 HydrophobicContact CG2-CG 4.11Å; I263-R265 HydrophobicContact CG2-CG 4.09Å
266	T	94.4	Very high	90.8	Very high	15 Å²	15	43 Å²	43	9%	0.092	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-72.5	158.9	166.6	60.5	0	0	0	0	110.9	T115 S136 G163 E164 S165	T115-T266 HydrophobicContact CG2-CG2 3.91Å; S136-T266 WeakPolarHBondContact O-CA 3.17Å; G163-T266 WeakPolarHBondContact CA-O 3.47Å; G163-T266 WeakPolarHBondContact CA-OG1 3.26Å; G163-T266 PolarHBondContact N-O 3.15Å; E164-T266 PolarHBondContact N-OG1 3.02Å; S165-T266 PolarHBondContact N-OG1 2.83Å; S165-T266 VanDerWaalsContact N-OG1 3.12Å; S165-T266 PolarHBondContact O-N 3.35Å; S165-T266 PolarHBondContact O-OG1 2.86Å
267	H	91.8	Very high	89.6	Confident	82 Å²	82	45.1 Å²	45.1	38%	0.38	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-61.6	147.6	171.7	-80.9	-76.4	0	0	0	112	Q135 S136 V137 L138 G163	Q135-H267 PolarHBondContact O-CD2 3.41Å; Q135-H267 VanDerWaalsContact O-CD2 3.25Å; S136-H267 PolarHBondContact O-N 3.07Å; V137-H267 PolarHBondContact O-CD2 3.25Å; V137-H267 PolarHBondContact O-NE2 2.97Å; L138-H267 WeakPolarHBondContact CD2-ND1 3.39Å; G163-H267 WeakPolarHBondContact CA-O 3.42Å
268	S	84.6	Confident	87.6	Confident	42 Å²	42	51.7 Å²	51.7	29%	0.294	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-52.2	144.8	171.3	179.1	0	0	0	0	111	V159	V159-S268 WeakPolarHBondContact O-CB 3.4Å; V159-S268 PolarHBondContact O-OG 2.93Å
269	I	80.9	Confident	85.4	Confident	44 Å²	44	54.2 Å²	54.2	23%	0.226	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-89.7	144.2	174.9	-35.4	180	0	0	0	108.5	E164 P191 N271	E164-I269 HydrophobicContact CB-CD1 3.96Å; E164-I269 HydrophobicContact CG-CD1 4.48Å; P191-I269 HydrophobicContact CB-CD1 4.18Å; P191-I269 HydrophobicContact CG-CD1 3.85Å; I269-N271 WeakPolarHBondContact CG2-OD1 3.3Å
270	N	78.2	Confident	82.6	Confident	169 Å²	169	62.9 Å²	62.9	90%	0.904	33%	0.326	S	S	*	.	S	Bend	trans	-83.4	-16.5	-174.8	-69.6	-26.4	0	0	0	114
271	N	86.8	Confident	79.8	Confident	55 Å²	55	71.4 Å²	71.4	29%	0.294	37%	0.366	S	S	.	.			trans	-103.2	42.4	-173.4	67	-23.8	0	0	0	112.3	Q192 D193 I269	Q192-N271 HydrophobicContact CB-CB 4.36Å; Q192-N271 VanDerWaalsContact CB-O 3.3Å; Q192-N271 WeakPolarHBondContact CB-O 3.11Å; Q192-N271 PolarHBondContact N-O 2.91Å; D193-N271 PolarHBondContact OD1-ND2 3.37Å; I269-N271 WeakPolarHBondContact CG2-OD1 3.3Å
272	L	88.2	Confident	76.9	Confident	53 Å²	53	75.7 Å²	75.7	28%	0.277	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	133.3	176	-66.6	166.5	0	0	0	110.4	V159 V190 P191 Y228	V159-L272 HydrophobicContact CB-CD1 3.63Å; V159-L272 HydrophobicContact CG2-CD1 3.79Å; V190-L272 WeakPolarHBondContact O-CA 2.96Å; P191-L272 HydrophobicContact CG-CD2 4.36Å; Y228-L272 HydrophobicContact CE1-CD2 4.49Å
273	I	89.1	Confident	73.8	Confident	50 Å²	50	80.9 Å²	80.9	26%	0.256	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	151.5	173.9	59	169.7	0	0	0	110.6	G189 V190 Q192 Y195	G189-I273 CarbonylContact C-O 3.56Å; G189-I273 WeakPolarHBondContact CA-O 3.21Å; V190-I273 HydrophobicContact CG2-CG1 4.2Å; V190-I273 PolarHBondContact N-O 2.91Å; V190-I273 PolarHBondContact O-N 3.34Å; Q192-I273 HydrophobicContact CB-CD1 4.26Å; Q192-I273 HydrophobicContact CB-CG1 4.31Å; Q192-I273 HydrophobicContact CB-CG2 4.15Å; Q192-I273 HydrophobicContact CG-CD1 4.17Å; Q192-I273 HydrophobicContact CG-CG2 4.37Å; Y195-I273 HydrophobicContact CD2-CD1 3.38Å; Y195-I273 HydrophobicContact CD2-CG1 3.96Å; Y195-I273 HydrophobicContact CE2-CD1 3.99Å; Y195-I273 HydrophobicContact CG-CD1 3.75Å
274	P	87.6	Confident	71.1	Confident	69 Å²	69	85.6 Å²	85.6	45%	0.448	46%	0.462	S	S	.	.			trans	-56.2	144.4	173	-23.2	33.7	0	0	0	111.2	Y276	P274-Y276 HydrophobicContact CB-CD2 4.33Å; P274-Y276 HydrophobicContact CB-CE2 3.52Å; P274-Y276 HydrophobicContact CG-CE2 4.37Å
275	Y	84.7	Confident	68.4	Low	19 Å²	19	88.6 Å²	88.6	8%	0.075	49%	0.493	C	S	.	.			trans	-99.6	119.5	179.4	-170.3	-109.9	0	0	0	110.9	Q184 V187 V190 Y195 L198 N199 L229 T277	Q184-Y275 PolarHBondContact NE2-O 2.89Å; V187-Y275 HydrophobicContact CB-CD1 4.34Å; V187-Y275 HydrophobicContact CG1-CD1 3.72Å; V187-Y275 HydrophobicContact CG1-CG 3.86Å; V190-Y275 HydrophobicContact CB-CD2 4.31Å; V190-Y275 HydrophobicContact CG1-CD2 3.64Å; V190-Y275 HydrophobicContact CG1-CE2 4.32Å; V190-Y275 HydrophobicContact CG1-CG 3.95Å; V190-Y275 HydrophobicContact CG2-CD2 3.67Å; V190-Y275 HydrophobicContact CG2-CG 4.41Å; Y195-Y275 HydrophobicContact CD2-CD2 4.28Å; Y195-Y275 HydrophobicContact CE2-CD2 4.1Å; L198-Y275 HydrophobicContact CB-CE2 4.15Å; L198-Y275 PolarHBondContact O-OH 3.27Å; N199-Y275 WeakPolarHBondContact OD1-CE2 3.36Å; N199-Y275 PolarHBondContact OD1-OH 3.31Å; N199-Y275 VanDerWaalsContact OD1-OH 3.06Å; L229-Y275 HydrophobicContact CD1-CE1 4.42Å; L229-Y275 HydrophobicContact CD2-CD1 3.77Å; L229-Y275 HydrophobicContact CD2-CD2 4.3Å; L229-Y275 HydrophobicContact CD2-CE1 3.45Å; L229-Y275 VanDerWaalsContact CD2-CE1 3.45Å; L229-Y275 HydrophobicContact CD2-CE2 4.01Å; L229-Y275 HydrophobicContact CD2-CG 4.17Å; Y275-T277 HydrophobicContact CD1-CG2 4.35Å; Y275-T277 HydrophobicContact CE1-CG2 3.53Å
276	Y	76.4	Confident	65.7	Low	145 Å²	145	93.8 Å²	93.8	57%	0.569	53%	0.529	S	S	*	.			trans	-121.8	115.9	175.4	-56.2	-72.5	0	0	0	109.8	Y195 P274	Y195-Y276 PolarHBondContact OH-O 2.72Å; P274-Y276 HydrophobicContact CB-CD2 4.33Å; P274-Y276 HydrophobicContact CB-CE2 3.52Å; P274-Y276 HydrophobicContact CG-CE2 4.37Å
277	T	66	Low	63	Low	48 Å²	48	102.1 Å²	102.1	29%	0.294	56%	0.564	S	S	.	*			trans	-80.3	135.9	165.7	45.8	0	0	0	0	108.9	Q184 Y275 V279	Q184-T277 PolarHBondContact OE1-OG1 3.41Å; Y275-T277 HydrophobicContact CD1-CG2 4.35Å; Y275-T277 HydrophobicContact CE1-CG2 3.53Å; T277-V279 PolarHBondContact O-N 3.23Å
278	N	52.4	Low	60.6	Low	167 Å²	167	107.9 Å²	107.9	89%	0.893	61%	0.605	S	S	*	*			trans	-71.4	62.5	167.1	-65.8	-26.1	0	0	0	109.4	E280	N278-E280 PolarHBondContact O-N 2.79Å
279	V	48.9	Very low	59.4	Low	106 Å²	106	111.2 Å²	111.2	64%	0.642	62%	0.62	S	S	*	*			trans	-84.8	105.1	163.8	-176.2	0	0	0	0	103.6	T277 E281	T277-V279 PolarHBondContact O-N 3.23Å; V279-E281 VanDerWaalsContact C-N 3.34Å; V279-E281 PolarHBondContact O-N 2.84Å
280	E	39.3	Very low	58.3	Low	184 Å²	184	114.7 Å²	114.7	86%	0.86	64%	0.641	S	S	*	*			trans	-48.7	108.3	163.9	-72.8	-178	164.2	0	0	106	N278 S282	N278-E280 PolarHBondContact O-N 2.79Å; E280-S282 VanDerWaalsContact C-N 3.33Å; E280-S282 PolarHBondContact O-N 2.85Å
281	E	39	Very low	57.2	Low	181 Å²	181	111.7 Å²	111.7	85%	0.846	63%	0.627	S	S	*	*			trans	-54	109.7	167.5	-81.5	-177.2	161.3	0	0	104.5	V279 S283	V279-E281 VanDerWaalsContact C-N 3.34Å; V279-E281 PolarHBondContact O-N 2.84Å; E281-S283 PolarHBondContact O-N 2.66Å
282	S	35.6	Very low	55.5	Low	103 Å²	103	115 Å²	115	72%	0.72	65%	0.646	S	S	*	*			trans	-61.5	87.2	168.7	57	0	0	0	0	105.4	E280 T284	E280-S282 VanDerWaalsContact C-N 3.33Å; E280-S282 PolarHBondContact O-N 2.85Å; S282-T284 PolarHBondContact O-N 2.75Å
283	S	35.3	Very low	53.4	Low	110 Å²	110	118.9 Å²	118.9	77%	0.769	67%	0.669	S	S	*	*			trans	-65.3	83.9	170	61.2	0	0	0	0	105.1	E281 G285	E281-S283 PolarHBondContact O-N 2.66Å; S283-G285 PolarHBondContact O-N 2.79Å
284	T	40.4	Very low	51.1	Low	120 Å²	120	123.5 Å²	123.5	74%	0.736	70%	0.697	S	S	*	*			trans	-65.7	87.5	161.6	49.6	0	0	0	0	105	S282 V286	S282-T284 PolarHBondContact O-N 2.75Å; T284-V286 PolarHBondContact O-N 2.91Å
285	G	40	Very low	48.4	Very low	64 Å²	64	127.4 Å²	127.4	66%	0.66	71%	0.714	S	S	*	*			trans	-54.8	109	172.4	0	0	0	0	0	107.7	S283 K287	S283-G285 PolarHBondContact O-N 2.79Å; G285-K287 PolarHBondContact O-N 2.97Å
286	V	39.9	Very low	45.7	Very low	143 Å²	143	135.7 Å²	135.7	87%	0.867	76%	0.764	S	S	*	*			trans	-62.9	96.9	162.1	177.7	0	0	0	0	105.4	T284 T288	T284-V286 PolarHBondContact O-N 2.91Å; V286-T288 PolarHBondContact O-N 3.25Å
287	K	38.2	Very low	43.1	Very low	190 Å²	190	134.9 Å²	134.9	83%	0.826	78%	0.78	S	S	*	*			trans	-69.7	111.3	167.5	-80.4	-176.4	175.5	179.2	0	107.3	G285	G285-K287 PolarHBondContact O-N 2.97Å
288	T	42.1	Very low	41	Very low	203 Å²	203	142.8 Å²	142.8	100%	1.245	82%	0.824	S	S	*	*			trans	37	0	145.4	58.8	0	0	0	0	117.6	V286	V286-T288 PolarHBondContact O-N 3.25Å

Retrieved 288 of 288 residues in 146.6 ms (Link to these results)

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