A0A077ZIJ6_TRITR Loading...

6-phosphogluconate dehydrogenase, decarboxylating

AlphaFold DB , UniProt , Accession A0A077ZIJ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 214 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	41	Very low	44.9	Very low	198 Å²	198	100.7 Å²	100.7	98%	0.975	58%	0.579	S	S	*	*				0	-44.8	0	-94.6	175.7	75.9	0	0	113.8	Q4 L5	M1-Q4 PolarHBondContact O-N 2.96Å; M1-L5 PolarHBondContact O-N 3.41Å
2	S	45	Very low	45.1	Very low	93 Å²	93	106.8 Å²	106.8	65%	0.65	60%	0.598	S	S	*	*	H	α-helix	trans	-64.9	-41.7	-175.3	55.3	0	0	0	0	115.1	Q4 F6	S2-Q4 VanDerWaalsContact C-N 3.34Å; S2-Q4 PolarHBondContact O-N 3.08Å; S2-F6 PolarHBondContact O-N 3.09Å
3	V	45.5	Very low	45.6	Very low	116 Å²	116	106.5 Å²	106.5	70%	0.703	59%	0.586	S	S	*	*	H	α-helix	trans	-66.9	-36.3	178.7	-174.5	0	0	0	0	111.6	F6 A7	V3-F6 PolarHBondContact O-N 2.71Å; V3-A7 PolarHBondContact O-N 3.44Å
4	Q	44.6	Very low	46.7	Very low	145 Å²	145	110.6 Å²	110.6	68%	0.678	60%	0.596	S	S	*	*	H	α-helix	trans	-67.4	-43.6	-179.2	-156.7	75.9	13.4	0	0	112.1	M1 S2 F6 A7 V8	M1-Q4 PolarHBondContact O-N 2.96Å; S2-Q4 VanDerWaalsContact C-N 3.34Å; S2-Q4 PolarHBondContact O-N 3.08Å; Q4-F6 VanDerWaalsContact C-N 3.29Å; Q4-F6 PolarHBondContact O-N 2.95Å; Q4-A7 PolarHBondContact O-N 2.98Å; Q4-V8 WeakPolarHBondContact O-CG2 3.11Å; Q4-V8 PolarHBondContact O-N 3.33Å; Q4-V8 VanDerWaalsContact O-N 3.14Å
5	L	41.5	Very low	47.7	Very low	122 Å²	122	114.3 Å²	114.3	64%	0.639	60%	0.604	S	S	*	*	H	α-helix	trans	-64.5	-33.7	174.9	-95.7	120.5	0	0	0	112.2	M1 S9	M1-L5 PolarHBondContact O-N 3.41Å; L5-S9 PolarHBondContact O-N 2.86Å
6	F	46	Very low	49	Very low	134 Å²	134	110.4 Å²	110.4	59%	0.588	59%	0.593	S	S	*	*	H	α-helix	trans	-68	-43.1	174.2	-112.3	-92.8	0	0	0	112.2	S2 V3 Q4 V8 S9 I10	S2-F6 PolarHBondContact O-N 3.09Å; V3-F6 PolarHBondContact O-N 2.71Å; Q4-F6 VanDerWaalsContact C-N 3.29Å; Q4-F6 PolarHBondContact O-N 2.95Å; F6-V8 VanDerWaalsContact C-N 3.33Å; F6-V8 PolarHBondContact O-N 2.94Å; F6-S9 WeakPolarHBondContact O-CB 3.22Å; F6-S9 PolarHBondContact O-N 3.43Å; F6-I10 WeakPolarHBondContact O-CG1 3.39Å; F6-I10 PolarHBondContact O-N 2.81Å
7	A	45.3	Very low	50.6	Low	43 Å²	43	104.5 Å²	104.5	36%	0.355	56%	0.562	S	S	.	*	H	α-helix	trans	-61.2	-40.3	176.8	0	0	0	0	0	112.3	V3 Q4 S9 I10 A11	V3-A7 PolarHBondContact O-N 3.44Å; Q4-A7 PolarHBondContact O-N 2.98Å; A7-S9 VanDerWaalsContact C-N 3.33Å; A7-S9 PolarHBondContact O-N 3.04Å; A7-I10 PolarHBondContact O-N 2.87Å; A7-A11 PolarHBondContact O-N 2.91Å
8	V	45.5	Very low	52	Low	99 Å²	99	102.2 Å²	102.2	60%	0.6	55%	0.552	S	S	*	*	H	α-helix	trans	-64.3	-35.4	175.9	175.6	0	0	0	0	111.9	Q4 F6 I10	Q4-V8 WeakPolarHBondContact O-CG2 3.11Å; Q4-V8 PolarHBondContact O-N 3.33Å; Q4-V8 VanDerWaalsContact O-N 3.14Å; F6-V8 VanDerWaalsContact C-N 3.33Å; F6-V8 PolarHBondContact O-N 2.94Å; V8-I10 VanDerWaalsContact C-N 3.3Å; V8-I10 PolarHBondContact O-N 3.12Å
9	S	46.4	Very low	53.6	Low	53 Å²	53	102.6 Å²	102.6	37%	0.371	55%	0.548	S	S	.	.	H	α-helix	trans	-68.5	-26.5	176	-176.4	0	0	0	0	113.5	L5 F6 A7	L5-S9 PolarHBondContact O-N 2.86Å; F6-S9 WeakPolarHBondContact O-CB 3.22Å; F6-S9 PolarHBondContact O-N 3.43Å; A7-S9 VanDerWaalsContact C-N 3.33Å; A7-S9 PolarHBondContact O-N 3.04Å
10	I	46.7	Very low	55.5	Low	19 Å²	19	100.2 Å²	100.2	10%	0.097	53%	0.531	C	S	.	.	H	α-helix	trans	-85.5	-30.4	-178.4	-63.2	-179.7	0	0	0	111.9	F6 A7 V8 Q12 K13 F62 M84	F6-I10 WeakPolarHBondContact O-CG1 3.39Å; F6-I10 PolarHBondContact O-N 2.81Å; A7-I10 PolarHBondContact O-N 2.87Å; V8-I10 VanDerWaalsContact C-N 3.3Å; V8-I10 PolarHBondContact O-N 3.12Å; I10-Q12 PolarHBondContact O-N 2.97Å; I10-Q12 VanDerWaalsContact O-N 3.17Å; I10-K13 WeakPolarHBondContact O-CA 3.28Å; I10-K13 PolarHBondContact O-N 3.15Å; I10-F62 HydrophobicContact CD1-CD1 3.46Å; I10-F62 VanDerWaalsContact CD1-CD1 3.46Å; I10-F62 HydrophobicContact CD1-CE1 3.34Å; I10-F62 HydrophobicContact CD1-CZ 4.46Å; I10-F62 HydrophobicContact CG2-CE1 4.08Å; I10-M84 HydrophobicContact CD1-SD 4.41Å
11	A	46.5	Very low	57.1	Low	86 Å²	86	95.6 Å²	95.6	71%	0.711	51%	0.507	S	S	*	.	H	α-helix	trans	-57.4	-29.2	171.7	0	0	0	0	0	112.3	A7	A7-A11 PolarHBondContact O-N 2.91Å
12	Q	48	Very low	59.4	Low	174 Å²	174	88.8 Å²	88.8	81%	0.813	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-12	172.1	-68.6	-167.1	-18.5	0	0	114.4	I10 K14	I10-Q12 PolarHBondContact O-N 2.97Å; I10-Q12 VanDerWaalsContact O-N 3.17Å; Q12-K14 PolarHBondContact O-N 2.88Å
13	K	50.8	Low	61.6	Low	102 Å²	102	86.9 Å²	86.9	44%	0.443	46%	0.461	S	S	.	.	S	Bend	trans	-100.1	93.4	-174.2	-76.6	-179.4	-179.4	173.8	0	112.6	I10	I10-K13 WeakPolarHBondContact O-CA 3.28Å; I10-K13 PolarHBondContact O-N 3.15Å
14	K	60.5	Low	63.9	Low	165 Å²	165	81.3 Å²	81.3	72%	0.717	43%	0.427	S	S	*	.			trans	51.2	106.8	166.1	-60.6	-170.7	179.9	-173.6	0	114.5	Q12 A16 T17	Q12-K14 PolarHBondContact O-N 2.88Å; K14-A16 PolarHBondContact O-N 3.34Å; K14-T17 PolarHBondContact O-N 3.49Å
15	K	62.2	Low	66.2	Low	165 Å²	165	75.1 Å²	75.1	72%	0.717	40%	0.398	S	S	*	.	H	α-helix	trans	-38.7	-34.4	168.2	-67.8	-179.3	177.1	-179.1	0	114.3	T17 T18 K19	K15-T17 PolarHBondContact O-N 3.29Å; K15-T18 PolarHBondContact O-N 3.21Å; K15-K19 PolarHBondContact O-N 2.82Å
16	A	68.4	Low	68.6	Low	52 Å²	52	76.5 Å²	76.5	43%	0.43	40%	0.395	S	S	.	.	H	α-helix	trans	-62.1	-36.3	176.8	0	0	0	0	0	114.2	K14 R20	K14-A16 PolarHBondContact O-N 3.34Å; A16-R20 PolarHBondContact O-N 3.1Å; A16-R20 PolarHBondContact O-NH1 3.36Å; A16-R20 VanDerWaalsContact O-NH1 3.15Å
17	T	76.8	Confident	70.9	Confident	11 Å²	11	71 Å²	71	7%	0.067	37%	0.374	C	S	.	.	H	α-helix	trans	-68.7	-46.1	177.8	-55.1	0	0	0	0	110.3	K14 K15 K19 R20 L21 D58	K14-T17 PolarHBondContact O-N 3.49Å; K15-T17 PolarHBondContact O-N 3.29Å; T17-K19 VanDerWaalsContact C-N 3.34Å; T17-K19 PolarHBondContact O-N 3.38Å; T17-R20 CarbonylContact O-C 3.58Å; T17-R20 WeakPolarHBondContact O-CA 3.32Å; T17-R20 PolarHBondContact O-N 2.93Å; T17-R20 PolarHBondContact OG1-NH2 3.24Å; T17-L21 HydrophobicContact CG2-CG 4.45Å; T17-L21 WeakPolarHBondContact O-CG 3.45Å; T17-L21 PolarHBondContact O-N 2.99Å; T17-D58 HydrophobicContact CG2-CB 4.49Å
18	T	76.2	Confident	73.3	Confident	62 Å²	62	69 Å²	69	38%	0.38	36%	0.357	S	S	.	.	H	α-helix	trans	-59	-42.1	178.1	-44	0	0	0	0	112.4	K15 R20 L21 S22 L85	K15-T18 PolarHBondContact O-N 3.21Å; T18-R20 VanDerWaalsContact C-N 3.29Å; T18-R20 PolarHBondContact O-N 3.09Å; T18-L21 PolarHBondContact O-N 2.76Å; T18-S22 PolarHBondContact O-N 3.27Å; T18-L85 HydrophobicContact CG2-CD2 4.17Å
19	K	81.3	Confident	75.6	Confident	110 Å²	110	68.3 Å²	68.3	48%	0.478	35%	0.346	S	S	.	.	H	α-helix	trans	-57.8	-40.3	172.5	-77.5	-167.4	174	-168.2	0	112.2	K15 T17 S22 H197	K15-K19 PolarHBondContact O-N 2.82Å; T17-K19 VanDerWaalsContact C-N 3.34Å; T17-K19 PolarHBondContact O-N 3.38Å; K19-S22 PolarHBondContact O-OG 3.08Å; K19-H197 WeakPolarHBondContact CE-CE1 3.49Å
20	R	91.2	Very high	78	Confident	54 Å²	54	67.3 Å²	67.3	20%	0.204	34%	0.344	C	S	.	.	H	α-helix	trans	-73.4	-32.1	177.5	-68.8	-168.2	-59	-79.4	-3.6	112.9	A16 T17 T18 S22 L23 Y24 V50 D58	A16-R20 PolarHBondContact O-N 3.1Å; A16-R20 PolarHBondContact O-NH1 3.36Å; A16-R20 VanDerWaalsContact O-NH1 3.15Å; T17-R20 CarbonylContact O-C 3.58Å; T17-R20 WeakPolarHBondContact O-CA 3.32Å; T17-R20 PolarHBondContact O-N 2.93Å; T17-R20 PolarHBondContact OG1-NH2 3.24Å; T18-R20 VanDerWaalsContact C-N 3.29Å; T18-R20 PolarHBondContact O-N 3.09Å; R20-S22 VanDerWaalsContact C-N 3.33Å; R20-S22 PolarHBondContact O-N 3.3Å; R20-L23 WeakPolarHBondContact O-CB 3.48Å; R20-L23 PolarHBondContact O-N 3.47Å; R20-L23 VanDerWaalsContact O-N 3.17Å; R20-Y24 HydrophobicContact CB-CD2 4.39Å; R20-Y24 HydrophobicContact CB-CE1 4.31Å; R20-Y24 HydrophobicContact CB-CE2 3.74Å; R20-Y24 WeakPolarHBondContact CD-OH 3.23Å; R20-Y24 WeakPolarHBondContact O-CD2 3.37Å; R20-Y24 PolarHBondContact O-N 3.08Å; R20-V50 HydrophobicContact CG-CG2 4.24Å; R20-D58 IonicContact CZ-OD1 3.77Å; R20-D58 IonicContact CZ-OD2 3.72Å; R20-D58 IonicContact NE-OD1 3.14Å; R20-D58 IonicContact NE-OD2 3.87Å; R20-D58 PolarHBondContact NE-OD2 3.42Å; R20-D58 VanDerWaalsContact NH2-CG 3.32Å; R20-D58 IonicContact NH2-OD1 2.96Å; R20-D58 PolarHBondContact NH2-OD1 3.26Å; R20-D58 IonicContact NH2-OD2 2.74Å; R20-D58 PolarHBondContact NH2-OD2 3.48Å; R20-D58 VanDerWaalsContact NH2-OD2 3.13Å
21	L	90.3	Very high	80.4	Confident	4 Å²	4	67.2 Å²	67.2	2%	0.021	34%	0.343	C	S	.	.	H	α-helix	trans	-58.6	-43.7	176.7	-68.2	180	0	0	0	111.9	T17 T18 L23 Y24 L25 F62 F81 L85	T17-L21 HydrophobicContact CG2-CG 4.45Å; T17-L21 WeakPolarHBondContact O-CG 3.45Å; T17-L21 PolarHBondContact O-N 2.99Å; T18-L21 PolarHBondContact O-N 2.76Å; L21-L23 VanDerWaalsContact C-N 3.3Å; L21-L23 PolarHBondContact O-N 2.86Å; L21-Y24 HydrophobicContact CD2-CD2 4.12Å; L21-Y24 PolarHBondContact O-N 3.19Å; L21-L25 WeakPolarHBondContact O-CB 3.41Å; L21-L25 PolarHBondContact O-N 2.97Å; L21-F62 HydrophobicContact CD1-CE1 4.45Å; L21-F62 HydrophobicContact CD1-CZ 3.95Å; L21-F62 HydrophobicContact CD2-CE2 3.79Å; L21-F62 HydrophobicContact CD2-CZ 3.67Å; L21-F62 HydrophobicContact CG-CZ 4.37Å; L21-F81 HydrophobicContact CD2-CD1 4Å; L21-F81 HydrophobicContact CD2-CE1 3.86Å; L21-F81 HydrophobicContact CD2-CG 4.43Å; L21-F81 HydrophobicContact CD2-CZ 4.17Å; L21-L85 HydrophobicContact CB-CD1 3.9Å; L21-L85 HydrophobicContact CB-CD2 4.18Å; L21-L85 HydrophobicContact CB-CG 4.33Å
22	S	88.4	Confident	82.8	Confident	55 Å²	55	67.4 Å²	67.4	39%	0.385	33%	0.329	S	S	.	.	H	α-helix	trans	-67.8	-31.9	178.6	66.6	0	0	0	0	112.5	T18 K19 R20 R26	T18-S22 PolarHBondContact O-N 3.27Å; K19-S22 PolarHBondContact O-OG 3.08Å; R20-S22 VanDerWaalsContact C-N 3.33Å; R20-S22 PolarHBondContact O-N 3.3Å; S22-R26 WeakPolarHBondContact O-CB 3.39Å; S22-R26 PolarHBondContact O-N 3.12Å
23	L	91.7	Very high	85.1	Confident	53 Å²	53	67.9 Å²	67.9	28%	0.277	33%	0.329	S	S	.	.	H	α-helix	trans	-66.7	-47.3	170.4	177.4	61.1	0	0	0	111.5	R20 L21 R26 C27 T48 V50	R20-L23 WeakPolarHBondContact O-CB 3.48Å; R20-L23 PolarHBondContact O-N 3.47Å; R20-L23 VanDerWaalsContact O-N 3.17Å; L21-L23 VanDerWaalsContact C-N 3.3Å; L21-L23 PolarHBondContact O-N 2.86Å; L23-R26 WeakPolarHBondContact O-CB 3.39Å; L23-R26 PolarHBondContact O-N 2.9Å; L23-C27 PolarHBondContact O-N 3.27Å; L23-C27 VanDerWaalsContact O-N 3.11Å; L23-T48 HydrophobicContact CD2-CG2 4.44Å; L23-T48 HydrophobicContact CG-CG2 4.18Å; L23-V50 HydrophobicContact CD2-CG2 4.33Å
24	Y	94.4	Very high	87.3	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-59.8	-50	177.5	-58.2	-33.7	0	0	0	111.3	R20 L21 R26 C27 L28 L44 T48 V50 I55 D58 F59 F81	R20-Y24 HydrophobicContact CB-CD2 4.39Å; R20-Y24 HydrophobicContact CB-CE1 4.31Å; R20-Y24 HydrophobicContact CB-CE2 3.74Å; R20-Y24 WeakPolarHBondContact CD-OH 3.23Å; R20-Y24 WeakPolarHBondContact O-CD2 3.37Å; R20-Y24 PolarHBondContact O-N 3.08Å; L21-Y24 HydrophobicContact CD2-CD2 4.12Å; L21-Y24 PolarHBondContact O-N 3.19Å; Y24-R26 VanDerWaalsContact C-N 3.25Å; Y24-R26 PolarHBondContact O-N 3.19Å; Y24-C27 PolarHBondContact O-N 2.83Å; Y24-C27 VanDerWaalsContact O-N 3.12Å; Y24-L28 WeakPolarHBondContact O-CB 3.27Å; Y24-L28 WeakPolarHBondContact O-CD1 3.28Å; Y24-L28 WeakPolarHBondContact O-CG 3.29Å; Y24-L28 PolarHBondContact O-N 3.4Å; Y24-L44 HydrophobicContact CD1-CD2 4.18Å; Y24-T48 HydrophobicContact CD1-CG2 3.95Å; Y24-T48 HydrophobicContact CE1-CG2 4.34Å; Y24-V50 HydrophobicContact CE1-CB 4.26Å; Y24-V50 HydrophobicContact CE1-CG2 4.07Å; Y24-V50 WeakPolarHBondContact OH-CG1 3.09Å; Y24-I55 HydrophobicContact CE1-CD1 4.41Å; Y24-I55 HydrophobicContact CE1-CG1 3.89Å; Y24-D58 HydrophobicContact CE2-CB 4.11Å; Y24-D58 WeakPolarHBondContact CE2-OD2 3.28Å; Y24-D58 PolarHBondContact OH-OD2 2.83Å; Y24-F59 AromaticContact CD2-CE1 3.54Å; Y24-F59 HydrophobicContact CD2-CE1 3.54Å; Y24-F59 HydrophobicContact CD2-CZ 4.3Å; Y24-F59 HydrophobicContact CE2-CD1 4.42Å; Y24-F59 AromaticContact CE2-CE1 3.75Å; Y24-F59 HydrophobicContact CE2-CE1 3.75Å; Y24-F59 HydrophobicContact CG-CE1 4.06Å; Y24-F59 HydrophobicContact CG-CZ 4.38Å; Y24-F81 HydrophobicContact CD2-CE2 4.33Å
25	L	92.4	Very high	89	Confident	14 Å²	14	64.1 Å²	64.1	7%	0.073	34%	0.335	C	S	.	.	H	α-helix	trans	-56.4	-41.3	179.3	-180	58.2	0	0	0	111.5	L21 L28 K29 I78 F81 S82 L85	L21-L25 WeakPolarHBondContact O-CB 3.41Å; L21-L25 PolarHBondContact O-N 2.97Å; L25-L28 PolarHBondContact O-N 3.35Å; L25-K29 HydrophobicContact CD1-CD 4.44Å; L25-K29 HydrophobicContact CD1-CG 4.17Å; L25-K29 WeakPolarHBondContact O-CG 3.41Å; L25-K29 PolarHBondContact O-N 3.12Å; L25-I78 HydrophobicContact CD1-CB 4.43Å; L25-I78 HydrophobicContact CD1-CG1 4.38Å; L25-I78 HydrophobicContact CD1-CG2 4.19Å; L25-F81 HydrophobicContact CB-CB 4.26Å; L25-F81 HydrophobicContact CD1-CB 4.19Å; L25-S82 WeakPolarHBondContact CD1-OG 3.27Å; L25-L85 HydrophobicContact CB-CD1 4.2Å; L25-L85 HydrophobicContact CD2-CB 4.44Å; L25-L85 HydrophobicContact CD2-CD1 3.89Å
26	R	91.3	Very high	90.7	Very high	151 Å²	151	58.9 Å²	58.9	57%	0.57	32%	0.317	S	S	*	.	H	α-helix	trans	-61.2	-48.5	176	-172.3	-170.1	-49.6	-169.8	3.4	112.4	S22 L23 Y24 L28 G30	S22-R26 WeakPolarHBondContact O-CB 3.39Å; S22-R26 PolarHBondContact O-N 3.12Å; L23-R26 WeakPolarHBondContact O-CB 3.39Å; L23-R26 PolarHBondContact O-N 2.9Å; Y24-R26 VanDerWaalsContact C-N 3.25Å; Y24-R26 PolarHBondContact O-N 3.19Å; R26-L28 VanDerWaalsContact C-N 3.31Å; R26-L28 PolarHBondContact O-N 3.17Å; R26-G30 PolarHBondContact O-N 3Å
27	C	95.5	Very high	91.9	Very high	20 Å²	20	60.5 Å²	60.5	14%	0.135	32%	0.322	C	S	.	.	H	α-helix	trans	-62.3	-41.4	177.1	-69.3	0	0	0	0	111.3	L23 Y24 G30 L31 L44 M47 T48	L23-C27 PolarHBondContact O-N 3.27Å; L23-C27 VanDerWaalsContact O-N 3.11Å; Y24-C27 PolarHBondContact O-N 2.83Å; Y24-C27 VanDerWaalsContact O-N 3.12Å; C27-G30 PolarHBondContact O-N 3.47Å; C27-L31 WeakPolarHBondContact O-CG 3.39Å; C27-L31 PolarHBondContact O-N 3.48Å; C27-L44 HydrophobicContact CB-CD1 3.92Å; C27-M47 HydrophobicContact CB-CE 4.43Å; C27-T48 HydrophobicContact CB-CG2 4.28Å
28	L	95.6	Very high	92.8	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-65.4	-46.2	-179.8	-68.1	162.7	0	0	0	112.5	Y24 L25 R26 G30 L31 E32 I39 V74 L77 I78 F81	Y24-L28 WeakPolarHBondContact O-CB 3.27Å; Y24-L28 WeakPolarHBondContact O-CD1 3.28Å; Y24-L28 WeakPolarHBondContact O-CG 3.29Å; Y24-L28 PolarHBondContact O-N 3.4Å; L25-L28 PolarHBondContact O-N 3.35Å; R26-L28 VanDerWaalsContact C-N 3.31Å; R26-L28 PolarHBondContact O-N 3.17Å; L28-G30 PolarHBondContact O-N 3.31Å; L28-L31 HydrophobicContact CD2-CD1 4.38Å; L28-L31 WeakPolarHBondContact O-CA 3.29Å; L28-L31 WeakPolarHBondContact O-CB 3.46Å; L28-L31 PolarHBondContact O-N 3.4Å; L28-E32 PolarHBondContact O-N 3.08Å; L28-I39 HydrophobicContact CD2-CG2 4.13Å; L28-V74 HydrophobicContact CB-CG1 4.49Å; L28-V74 HydrophobicContact CD2-CG1 4.22Å; L28-V74 HydrophobicContact CD2-CG2 4.34Å; L28-L77 HydrophobicContact CD1-CB 3.61Å; L28-L77 HydrophobicContact CD1-CD1 4.05Å; L28-L77 HydrophobicContact CD1-CG 4.47Å; L28-L77 HydrophobicContact CD2-CB 4.16Å; L28-L77 HydrophobicContact CD2-CD1 3.63Å; L28-L77 HydrophobicContact CG-CD1 4.5Å; L28-I78 HydrophobicContact CB-CD1 4.19Å; L28-I78 HydrophobicContact CB-CG1 3.64Å; L28-F81 HydrophobicContact CD1-CD2 3.64Å; L28-F81 HydrophobicContact CD1-CE2 3.73Å
29	K	94.1	Very high	93.7	Very high	84 Å²	84	60.9 Å²	60.9	37%	0.365	32%	0.315	S	S	.	.	H	α-helix	trans	-59.3	-35.5	173.3	-73.1	-171.5	176.7	-172.3	0	112.1	L25 K33 I78 E86	L25-K29 HydrophobicContact CD1-CD 4.44Å; L25-K29 HydrophobicContact CD1-CG 4.17Å; L25-K29 WeakPolarHBondContact O-CG 3.41Å; L25-K29 PolarHBondContact O-N 3.12Å; K29-K33 WeakPolarHBondContact O-CB 3.38Å; K29-K33 PolarHBondContact O-N 2.8Å; K29-K33 VanDerWaalsContact O-N 3.07Å; K29-I78 HydrophobicContact CG-CD1 4.44Å; K29-E86 IonicContact NZ-OE1 2.73Å; K29-E86 PolarHBondContact NZ-OE1 2.9Å
30	G	95.5	Very high	94.4	Very high	32 Å²	32	60.4 Å²	60.4	33%	0.33	31%	0.313	S	S	.	.	H	α-helix	trans	-65.4	-38.6	172.8	0	0	0	0	0	113.3	R26 C27 L28 N34	R26-G30 PolarHBondContact O-N 3Å; C27-G30 PolarHBondContact O-N 3.47Å; L28-G30 PolarHBondContact O-N 3.31Å; G30-N34 PolarHBondContact O-N 2.99Å; G30-N34 PolarHBondContact O-ND2 2.75Å; G30-N34 VanDerWaalsContact O-ND2 3.16Å
31	L	97.1	Very high	94.5	Very high	17 Å²	17	58.6 Å²	58.6	9%	0.089	31%	0.309	C	S	.	.	H	α-helix	trans	-68.1	-45	176.1	-72.7	164.7	0	0	0	111.9	C27 L28 K33 N34 G35 V36 I39 M47 V74	C27-L31 WeakPolarHBondContact O-CG 3.39Å; C27-L31 PolarHBondContact O-N 3.48Å; L28-L31 HydrophobicContact CD2-CD1 4.38Å; L28-L31 WeakPolarHBondContact O-CA 3.29Å; L28-L31 WeakPolarHBondContact O-CB 3.46Å; L28-L31 PolarHBondContact O-N 3.4Å; L31-K33 PolarHBondContact O-N 2.85Å; L31-N34 CarbonylContact O-C 3.58Å; L31-N34 WeakPolarHBondContact O-CA 3.23Å; L31-N34 PolarHBondContact O-N 3.19Å; L31-G35 PolarHBondContact O-N 3.43Å; L31-V36 HydrophobicContact CB-CB 4.01Å; L31-V36 HydrophobicContact CB-CG1 4.44Å; L31-V36 HydrophobicContact CD2-CB 4.07Å; L31-V36 HydrophobicContact CD2-CG1 4.11Å; L31-V36 HydrophobicContact CD2-CG2 4.01Å; L31-V36 WeakPolarHBondContact O-CB 3.39Å; L31-V36 PolarHBondContact O-N 2.88Å; L31-I39 HydrophobicContact CD1-CB 4.46Å; L31-I39 HydrophobicContact CD1-CD1 3.28Å; L31-I39 HydrophobicContact CD1-CG1 4.43Å; L31-I39 HydrophobicContact CD2-CD1 4.43Å; L31-I39 HydrophobicContact CG-CD1 4.49Å; L31-M47 HydrophobicContact CD1-CE 4.24Å; L31-M47 HydrophobicContact CD1-SD 4.11Å; L31-M47 HydrophobicContact CD2-CE 3.91Å; L31-M47 HydrophobicContact CD2-SD 4.06Å; L31-M47 HydrophobicContact CG-CE 3.98Å; L31-M47 HydrophobicContact CG-SD 4.35Å; L31-V74 HydrophobicContact CB-CG1 4.28Å
32	E	97.3	Very high	94.7	Very high	90 Å²	90	61.1 Å²	61.1	42%	0.421	33%	0.327	S	S	.	.	H	α-helix	trans	-57.3	-47.2	175	177.8	-170.1	-130.3	0	0	111.2	L28 N34 G35 V74 N75 I78	L28-E32 PolarHBondContact O-N 3.08Å; E32-N34 PolarHBondContact O-N 3.4Å; E32-N34 VanDerWaalsContact O-N 3.13Å; E32-G35 PolarHBondContact O-N 2.87Å; E32-V74 HydrophobicContact CB-CG1 4.21Å; E32-N75 PolarHBondContact OE1-OD1 2.86Å; E32-I78 HydrophobicContact CB-CD1 3.58Å; E32-I78 HydrophobicContact CG-CD1 4.1Å
33	K	95.8	Very high	95	Very high	185 Å²	185	62.6 Å²	62.6	80%	0.804	33%	0.328	S	S	*	.	H	α-helix	trans	-56.7	-30.2	175.3	-175.8	177.4	178.5	-179.8	0	112.9	K29 L31 G35	K29-K33 WeakPolarHBondContact O-CB 3.38Å; K29-K33 PolarHBondContact O-N 2.8Å; K29-K33 VanDerWaalsContact O-N 3.07Å; L31-K33 PolarHBondContact O-N 2.85Å; K33-G35 VanDerWaalsContact C-N 3.33Å
34	N	96.7	Very high	95.2	Very high	129 Å²	129	60.1 Å²	60.1	69%	0.69	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	9.8	177.6	-65.4	-27.5	0	0	0	113.1	G30 L31 E32 V36	G30-N34 PolarHBondContact O-N 2.99Å; G30-N34 PolarHBondContact O-ND2 2.75Å; G30-N34 VanDerWaalsContact O-ND2 3.16Å; L31-N34 CarbonylContact O-C 3.58Å; L31-N34 WeakPolarHBondContact O-CA 3.23Å; L31-N34 PolarHBondContact O-N 3.19Å; E32-N34 PolarHBondContact O-N 3.4Å; E32-N34 VanDerWaalsContact O-N 3.13Å; N34-V36 VanDerWaalsContact C-N 3.28Å; N34-V36 PolarHBondContact O-N 3.45Å
35	G	97	Very high	95.3	Very high	59 Å²	59	61.2 Å²	61.2	61%	0.608	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	13	178.1	0	0	0	0	0	114.8	L31 E32 K33 T37	L31-G35 PolarHBondContact O-N 3.43Å; E32-G35 PolarHBondContact O-N 2.87Å; K33-G35 VanDerWaalsContact C-N 3.33Å; G35-T37 PolarHBondContact O-N 3.33Å
36	V	97.3	Very high	95.5	Very high	54 Å²	54	69 Å²	69	33%	0.327	36%	0.356	S	S	.	.			trans	-78.9	119.1	178.5	179.6	0	0	0	0	109.3	L31 N34 R38 V74	L31-V36 HydrophobicContact CB-CB 4.01Å; L31-V36 HydrophobicContact CB-CG1 4.44Å; L31-V36 HydrophobicContact CD2-CB 4.07Å; L31-V36 HydrophobicContact CD2-CG1 4.11Å; L31-V36 HydrophobicContact CD2-CG2 4.01Å; L31-V36 WeakPolarHBondContact O-CB 3.39Å; L31-V36 PolarHBondContact O-N 2.88Å; N34-V36 VanDerWaalsContact C-N 3.28Å; N34-V36 PolarHBondContact O-N 3.45Å; V36-R38 VanDerWaalsContact CG1-O 3.24Å; V36-R38 WeakPolarHBondContact CG1-O 3.18Å; V36-V74 HydrophobicContact CG1-CG2 4.43Å; V36-V74 WeakPolarHBondContact O-CB 3.31Å; V36-V74 WeakPolarHBondContact O-CG2 3.5Å
37	T	94.9	Very high	95.6	Very high	87 Å²	87	66.2 Å²	66.2	53%	0.534	35%	0.35	S	S	.	.			trans	-97.5	-19.8	-176.8	56.4	0	0	0	0	113.8	G35 V74	G35-T37 PolarHBondContact O-N 3.33Å; T37-V74 PolarHBondContact O-N 3.36Å
38	R	94.9	Very high	95.6	Very high	75 Å²	75	65.8 Å²	65.8	28%	0.283	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	148.8	178.8	-56.9	-165.2	83.5	78.3	8.4	112.5	V36 Y70 G71 Y72 D73	V36-R38 VanDerWaalsContact CG1-O 3.24Å; V36-R38 WeakPolarHBondContact CG1-O 3.18Å; R38-Y70 PolarHBondContact NE-O 3.47Å; R38-G71 PolarHBondContact NH2-O 3.15Å; R38-Y72 CarbonylContact C-O 3.58Å; R38-Y72 WeakPolarHBondContact CA-O 3.49Å; R38-D73 IonicContact NH1-OD2 3.82Å
39	I	95.4	Very high	95.3	Very high	5 Å²	5	74.6 Å²	74.6	3%	0.026	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	139.7	175.8	-170.2	160.3	0	0	0	112.6	L28 L31 E43 L44 M47 G71 Y72 V74 L77	L28-I39 HydrophobicContact CD2-CG2 4.13Å; L31-I39 HydrophobicContact CD1-CB 4.46Å; L31-I39 HydrophobicContact CD1-CD1 3.28Å; L31-I39 HydrophobicContact CD1-CG1 4.43Å; L31-I39 HydrophobicContact CD2-CD1 4.43Å; L31-I39 HydrophobicContact CG-CD1 4.49Å; I39-E43 HydrophobicContact CD1-CB 4.09Å; I39-E43 HydrophobicContact CG1-CB 3.75Å; I39-L44 HydrophobicContact CD1-CB 3.85Å; I39-L44 HydrophobicContact CD1-CD1 4.15Å; I39-L44 HydrophobicContact CG1-CB 4.19Å; I39-M47 HydrophobicContact CD1-SD 3.97Å; I39-G71 CarbonylContact O-C 3.58Å; I39-G71 WeakPolarHBondContact O-CA 3.46Å; I39-Y72 PolarHBondContact N-O 3.29Å; I39-Y72 WeakPolarHBondContact O-CD2 3.39Å; I39-Y72 PolarHBondContact O-N 2.94Å; I39-V74 HydrophobicContact CB-CG2 4.34Å; I39-V74 HydrophobicContact CG2-CG2 4.04Å; I39-L77 HydrophobicContact CG2-CD1 4.43Å
40	K	94.5	Very high	95.3	Very high	101 Å²	101	71.5 Å²	71.5	44%	0.439	38%	0.376	S	S	.	.			trans	-86.6	153.3	171.7	-64.6	178	179.4	174	0	111	S42 E43 L44	K40-S42 PolarHBondContact O-N 2.58Å; K40-S42 VanDerWaalsContact O-N 3.11Å; K40-E43 HydrophobicContact CB-CG 4.34Å; K40-E43 WeakPolarHBondContact CB-OE2 3.43Å; K40-E43 PolarHBondContact N-OE2 3.09Å; K40-E43 PolarHBondContact O-N 3.43Å; K40-L44 PolarHBondContact O-N 2.95Å
41	S	93.6	Very high	95.2	Very high	15 Å²	15	71.8 Å²	71.8	11%	0.105	38%	0.379	C	S	.	.	H	α-helix	trans	-55.9	-32.2	174.9	62.8	0	0	0	0	113	S45 S52 R56	S41-S45 WeakPolarHBondContact O-CB 3.42Å; S41-S45 PolarHBondContact O-N 3.31Å; S41-S52 PolarHBondContact O-OG 3.05Å; S41-R56 PolarHBondContact OG-NH1 3.12Å
42	S	94.9	Very high	95.1	Very high	57 Å²	57	72.4 Å²	72.4	40%	0.399	39%	0.385	S	S	.	.	H	α-helix	trans	-70.4	-33.3	177.6	51	0	0	0	0	113.5	K40 K46 S52	K40-S42 PolarHBondContact O-N 2.58Å; K40-S42 VanDerWaalsContact O-N 3.11Å; S42-K46 WeakPolarHBondContact O-CG 3.3Å; S42-K46 PolarHBondContact O-N 2.92Å; S42-S52 VanDerWaalsContact CA-OG 3.26Å; S42-S52 WeakPolarHBondContact CA-OG 3.46Å; S42-S52 PolarHBondContact N-OG 2.96Å
43	E	95.9	Very high	94.9	Very high	87 Å²	87	70.6 Å²	70.6	41%	0.407	39%	0.385	S	S	.	.	H	α-helix	trans	-74.6	-47.2	175.8	-68.2	161.1	161.6	0	0	109.5	I39 K40 S45 K46 M47	I39-E43 HydrophobicContact CD1-CB 4.09Å; I39-E43 HydrophobicContact CG1-CB 3.75Å; K40-E43 HydrophobicContact CB-CG 4.34Å; K40-E43 WeakPolarHBondContact CB-OE2 3.43Å; K40-E43 PolarHBondContact N-OE2 3.09Å; K40-E43 PolarHBondContact O-N 3.43Å; E43-S45 PolarHBondContact O-N 2.98Å; E43-K46 WeakPolarHBondContact O-CB 3.42Å; E43-K46 PolarHBondContact O-N 3.49Å; E43-K46 VanDerWaalsContact O-N 3.11Å; E43-M47 PolarHBondContact O-N 3.43Å
44	L	95.4	Very high	94.7	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-62.4	-34.3	176.5	-171.7	61.1	0	0	0	111.9	Y24 C27 I39 K40 K46 M47 T48 I55 F59	Y24-L44 HydrophobicContact CD1-CD2 4.18Å; C27-L44 HydrophobicContact CB-CD1 3.92Å; I39-L44 HydrophobicContact CD1-CB 3.85Å; I39-L44 HydrophobicContact CD1-CD1 4.15Å; I39-L44 HydrophobicContact CG1-CB 4.19Å; K40-L44 PolarHBondContact O-N 2.95Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-K46 PolarHBondContact O-N 3.39Å; L44-M47 PolarHBondContact O-N 2.99Å; L44-T48 HydrophobicContact CD1-CG2 3.66Å; L44-T48 HydrophobicContact CG-CG2 3.94Å; L44-T48 WeakPolarHBondContact O-CB 3.23Å; L44-T48 VanDerWaalsContact O-CG2 3.31Å; L44-T48 WeakPolarHBondContact O-CG2 3.23Å; L44-T48 PolarHBondContact O-N 3.44Å; L44-T48 PolarHBondContact O-OG1 2.99Å; L44-I55 HydrophobicContact CB-CD1 4.14Å; L44-I55 HydrophobicContact CD2-CD1 4.34Å; L44-I55 HydrophobicContact CD2-CG2 4Å; L44-I55 HydrophobicContact CG-CD1 4.09Å; L44-F59 HydrophobicContact CD2-CE2 4.05Å; L44-F59 HydrophobicContact CD2-CZ 3.57Å
45	S	96.1	Very high	94.5	Very high	24 Å²	24	57.6 Å²	57.6	17%	0.168	33%	0.326	C	S	.	.	H	α-helix	trans	-59.6	-40.1	174.8	-177.8	0	0	0	0	112.6	S41 E43 M47 Q49 V50 S52	S41-S45 WeakPolarHBondContact O-CB 3.42Å; S41-S45 PolarHBondContact O-N 3.31Å; E43-S45 PolarHBondContact O-N 2.98Å; S45-M47 VanDerWaalsContact C-N 3.32Å; S45-M47 PolarHBondContact O-N 2.89Å; S45-Q49 VanDerWaalsContact O-CA 3.26Å; S45-Q49 WeakPolarHBondContact O-CA 3.37Å; S45-Q49 PolarHBondContact O-N 3.09Å; S45-V50 VanDerWaalsContact CA-O 3.23Å; S45-V50 WeakPolarHBondContact CA-O 3.02Å; S45-V50 WeakPolarHBondContact CB-O 3.48Å; S45-V50 PolarHBondContact OG-O 3.43Å; S45-S52 WeakPolarHBondContact CB-OG 3.36Å; S45-S52 PolarHBondContact OG-N 3.24Å
46	K	95.7	Very high	94.2	Very high	178 Å²	178	60.7 Å²	60.7	77%	0.774	32%	0.32	S	S	*	.	H	α-helix	trans	-66	-36.2	175.7	-66.4	173.9	-178.9	-176.2	0	112.2	S42 E43 L44	S42-K46 WeakPolarHBondContact O-CG 3.3Å; S42-K46 PolarHBondContact O-N 2.92Å; E43-K46 WeakPolarHBondContact O-CB 3.42Å; E43-K46 PolarHBondContact O-N 3.49Å; E43-K46 VanDerWaalsContact O-N 3.11Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-K46 PolarHBondContact O-N 3.39Å
47	M	95.2	Very high	93.8	Very high	92 Å²	92	65.3 Å²	65.3	45%	0.453	33%	0.331	S	S	.	.	H	α-helix	trans	-78.4	-29	-178.5	-60.2	177.2	72.9	0	0	113.4	C27 L31 I39 E43 L44 S45	C27-M47 HydrophobicContact CB-CE 4.43Å; L31-M47 HydrophobicContact CD1-CE 4.24Å; L31-M47 HydrophobicContact CD1-SD 4.11Å; L31-M47 HydrophobicContact CD2-CE 3.91Å; L31-M47 HydrophobicContact CD2-SD 4.06Å; L31-M47 HydrophobicContact CG-CE 3.98Å; L31-M47 HydrophobicContact CG-SD 4.35Å; I39-M47 HydrophobicContact CD1-SD 3.97Å; E43-M47 PolarHBondContact O-N 3.43Å; L44-M47 PolarHBondContact O-N 2.99Å; S45-M47 VanDerWaalsContact C-N 3.32Å; S45-M47 PolarHBondContact O-N 2.89Å
48	T	93.7	Very high	93.6	Very high	11 Å²	11	61.4 Å²	61.4	7%	0.067	31%	0.307	C	S	.	.	H	α-helix	trans	-109.1	-11.9	-171.8	60.1	0	0	0	0	113.2	L23 Y24 C27 L44 V50	L23-T48 HydrophobicContact CD2-CG2 4.44Å; L23-T48 HydrophobicContact CG-CG2 4.18Å; Y24-T48 HydrophobicContact CD1-CG2 3.95Å; Y24-T48 HydrophobicContact CE1-CG2 4.34Å; C27-T48 HydrophobicContact CB-CG2 4.28Å; L44-T48 HydrophobicContact CD1-CG2 3.66Å; L44-T48 HydrophobicContact CG-CG2 3.94Å; L44-T48 WeakPolarHBondContact O-CB 3.23Å; L44-T48 VanDerWaalsContact O-CG2 3.31Å; L44-T48 WeakPolarHBondContact O-CG2 3.23Å; L44-T48 PolarHBondContact O-N 3.44Å; L44-T48 PolarHBondContact O-OG1 2.99Å; T48-V50 PolarHBondContact O-N 2.79Å; T48-V50 PolarHBondContact OG1-N 2.79Å
49	Q	90.8	Very high	93.3	Very high	185 Å²	185	57.9 Å²	57.9	86%	0.864	29%	0.294	S	S	*	.			trans	56.8	13.9	-169.6	-56.4	177.1	-3.6	0	0	113.8	S45	S45-Q49 VanDerWaalsContact O-CA 3.26Å; S45-Q49 WeakPolarHBondContact O-CA 3.37Å; S45-Q49 PolarHBondContact O-N 3.09Å
50	V	93.3	Very high	92.9	Very high	18 Å²	18	61.5 Å²	61.5	11%	0.109	32%	0.319	C	S	.	.			trans	-88	131.1	171.5	-176.2	0	0	0	0	108.8	R20 L23 Y24 S45 T48 S52 T54 I55	R20-V50 HydrophobicContact CG-CG2 4.24Å; L23-V50 HydrophobicContact CD2-CG2 4.33Å; Y24-V50 HydrophobicContact CE1-CB 4.26Å; Y24-V50 HydrophobicContact CE1-CG2 4.07Å; Y24-V50 WeakPolarHBondContact OH-CG1 3.09Å; S45-V50 VanDerWaalsContact CA-O 3.23Å; S45-V50 WeakPolarHBondContact CA-O 3.02Å; S45-V50 WeakPolarHBondContact CB-O 3.48Å; S45-V50 PolarHBondContact OG-O 3.43Å; T48-V50 PolarHBondContact O-N 2.79Å; T48-V50 PolarHBondContact OG1-N 2.79Å; V50-S52 PolarHBondContact O-N 3.25Å; V50-T54 HydrophobicContact CG1-CG2 3.77Å; V50-I55 HydrophobicContact CB-CD1 4.2Å; V50-I55 HydrophobicContact CB-CG1 3.99Å; V50-I55 HydrophobicContact CG1-CG1 3.86Å; V50-I55 WeakPolarHBondContact O-CD1 3.14Å
51	G	94.1	Very high	92.3	Very high	39 Å²	39	59.7 Å²	59.7	40%	0.402	31%	0.312	S	S	.	.			trans	-56.2	136.4	177.9	0	0	0	0	0	112.7	A53 T54 I55	G51-A53 PolarHBondContact O-N 3.45Å; G51-A53 VanDerWaalsContact O-N 3.12Å; G51-T54 WeakPolarHBondContact O-CA 3.48Å; G51-T54 WeakPolarHBondContact O-CB 3.5Å; G51-T54 PolarHBondContact O-N 3.42Å; G51-I55 PolarHBondContact O-N 3.04Å
52	S	93.9	Very high	91.6	Very high	29 Å²	29	60.5 Å²	60.5	20%	0.203	31%	0.314	C	S	.	.	H	α-helix	trans	-53.9	-36.1	-176.8	-67.6	0	0	0	0	114	S41 S42 S45 V50 T54 I55 R56	S41-S52 PolarHBondContact O-OG 3.05Å; S42-S52 VanDerWaalsContact CA-OG 3.26Å; S42-S52 WeakPolarHBondContact CA-OG 3.46Å; S42-S52 PolarHBondContact N-OG 2.96Å; S45-S52 WeakPolarHBondContact CB-OG 3.36Å; S45-S52 PolarHBondContact OG-N 3.24Å; V50-S52 PolarHBondContact O-N 3.25Å; S52-T54 VanDerWaalsContact C-N 3.35Å; S52-I55 PolarHBondContact O-N 2.82Å; S52-R56 WeakPolarHBondContact O-CG 3.49Å; S52-R56 PolarHBondContact O-N 3.29Å
53	A	92.9	Very high	90.7	Very high	52 Å²	52	60 Å²	60	43%	0.43	32%	0.318	S	S	.	.	H	α-helix	trans	-66.3	-37.1	176.8	0	0	0	0	0	112.2	G51 R57	G51-A53 PolarHBondContact O-N 3.45Å; G51-A53 VanDerWaalsContact O-N 3.12Å; A53-R57 WeakPolarHBondContact O-CB 3.32Å; A53-R57 PolarHBondContact O-N 3.27Å
54	T	92.5	Very high	89.7	Confident	42 Å²	42	65.1 Å²	65.1	26%	0.258	34%	0.342	S	S	.	.	H	α-helix	trans	-68.3	-43.6	174.9	-58.9	0	0	0	0	110.8	V50 G51 S52 R56 R57 D58	V50-T54 HydrophobicContact CG1-CG2 3.77Å; G51-T54 WeakPolarHBondContact O-CA 3.48Å; G51-T54 WeakPolarHBondContact O-CB 3.5Å; G51-T54 PolarHBondContact O-N 3.42Å; S52-T54 VanDerWaalsContact C-N 3.35Å; T54-R56 PolarHBondContact O-N 2.85Å; T54-R57 PolarHBondContact O-N 3.18Å; T54-D58 WeakPolarHBondContact O-CB 3.1Å; T54-D58 VanDerWaalsContact O-CG 3.23Å; T54-D58 PolarHBondContact O-N 3.41Å
55	I	92.8	Very high	88.7	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-57.4	-49.9	174.4	-66.5	170.9	0	0	0	110.8	Y24 L44 V50 G51 S52 R57 D58 F59	Y24-I55 HydrophobicContact CE1-CD1 4.41Å; Y24-I55 HydrophobicContact CE1-CG1 3.89Å; L44-I55 HydrophobicContact CB-CD1 4.14Å; L44-I55 HydrophobicContact CD2-CD1 4.34Å; L44-I55 HydrophobicContact CD2-CG2 4Å; L44-I55 HydrophobicContact CG-CD1 4.09Å; V50-I55 HydrophobicContact CB-CD1 4.2Å; V50-I55 HydrophobicContact CB-CG1 3.99Å; V50-I55 HydrophobicContact CG1-CG1 3.86Å; V50-I55 WeakPolarHBondContact O-CD1 3.14Å; G51-I55 PolarHBondContact O-N 3.04Å; S52-I55 PolarHBondContact O-N 2.82Å; I55-R57 VanDerWaalsContact C-N 3.29Å; I55-R57 PolarHBondContact O-N 2.8Å; I55-D58 PolarHBondContact O-N 3.09Å; I55-F59 HydrophobicContact CG2-CD1 4.31Å; I55-F59 HydrophobicContact CG2-CD2 4.19Å; I55-F59 HydrophobicContact CG2-CE1 4.05Å; I55-F59 HydrophobicContact CG2-CE2 3.92Å; I55-F59 HydrophobicContact CG2-CG 4.38Å; I55-F59 HydrophobicContact CG2-CZ 3.86Å; I55-F59 WeakPolarHBondContact O-CB 3.34Å; I55-F59 WeakPolarHBondContact O-CD1 3.11Å; I55-F59 WeakPolarHBondContact O-CG 3.31Å; I55-F59 PolarHBondContact O-N 2.91Å
56	R	91	Very high	87.3	Confident	124 Å²	124	66.4 Å²	66.4	47%	0.468	35%	0.354	S	S	.	.	H	α-helix	trans	-58.3	-42.7	178	-72	-169.6	-65.9	-93.4	6.2	111.9	S41 S52 T54 F59 S60 Y72	S41-R56 PolarHBondContact OG-NH1 3.12Å; S52-R56 WeakPolarHBondContact O-CG 3.49Å; S52-R56 PolarHBondContact O-N 3.29Å; T54-R56 PolarHBondContact O-N 2.85Å; R56-F59 PolarHBondContact O-N 2.84Å; R56-S60 WeakPolarHBondContact O-CB 3.33Å; R56-S60 PolarHBondContact O-N 3.45Å; R56-Y72 WeakPolarHBondContact CG-OH 3.31Å
57	R	88.8	Confident	86	Confident	151 Å²	151	67.6 Å²	67.6	57%	0.57	35%	0.354	S	S	*	.	H	α-helix	trans	-63.8	-47.4	176.8	-172.3	-174.8	-61.8	136.5	-1.1	111.2	A53 T54 I55 F59 S60 H61	A53-R57 WeakPolarHBondContact O-CB 3.32Å; A53-R57 PolarHBondContact O-N 3.27Å; T54-R57 PolarHBondContact O-N 3.18Å; I55-R57 VanDerWaalsContact C-N 3.29Å; I55-R57 PolarHBondContact O-N 2.8Å; R57-F59 VanDerWaalsContact C-N 3.31Å; R57-F59 PolarHBondContact O-N 2.96Å; R57-S60 PolarHBondContact O-N 3.44Å; R57-S60 PolarHBondContact O-OG 3.46Å; R57-H61 PolarHBondContact O-CE1 3.21Å; R57-H61 PolarHBondContact O-ND1 3.05Å
58	D	90.2	Very high	84.6	Confident	4 Å²	4	69.5 Å²	69.5	2%	0.021	38%	0.377	C	S	.	.	H	α-helix	trans	-55.6	-49.9	176.4	-69.4	-17.3	0	0	0	110.2	T17 R20 Y24 T54 I55 S60 H61 F62	T17-D58 HydrophobicContact CG2-CB 4.49Å; R20-D58 IonicContact CZ-OD1 3.77Å; R20-D58 IonicContact CZ-OD2 3.72Å; R20-D58 IonicContact NE-OD1 3.14Å; R20-D58 IonicContact NE-OD2 3.87Å; R20-D58 PolarHBondContact NE-OD2 3.42Å; R20-D58 VanDerWaalsContact NH2-CG 3.32Å; R20-D58 IonicContact NH2-OD1 2.96Å; R20-D58 PolarHBondContact NH2-OD1 3.26Å; R20-D58 IonicContact NH2-OD2 2.74Å; R20-D58 PolarHBondContact NH2-OD2 3.48Å; R20-D58 VanDerWaalsContact NH2-OD2 3.13Å; Y24-D58 HydrophobicContact CE2-CB 4.11Å; Y24-D58 WeakPolarHBondContact CE2-OD2 3.28Å; Y24-D58 PolarHBondContact OH-OD2 2.83Å; T54-D58 WeakPolarHBondContact O-CB 3.1Å; T54-D58 VanDerWaalsContact O-CG 3.23Å; T54-D58 PolarHBondContact O-N 3.41Å; I55-D58 PolarHBondContact O-N 3.09Å; D58-S60 VanDerWaalsContact C-N 3.34Å; D58-S60 PolarHBondContact O-N 3.5Å; D58-H61 WeakPolarHBondContact O-CB 3.45Å; D58-H61 PolarHBondContact O-N 3.25Å; D58-H61 PolarHBondContact O-ND1 3.47Å; D58-F62 WeakPolarHBondContact O-CD2 3.47Å; D58-F62 WeakPolarHBondContact O-CE2 3.33Å
59	F	89.6	Confident	83.5	Confident	2 Å²	2	72.3 Å²	72.3	1%	0.009	41%	0.407	C	S	.	.	H	α-helix	trans	-68.1	-33.6	-174.9	-72.1	14.2	0	0	0	112.5	Y24 L44 I55 R56 R57 H61 F62 L65 Y72 L77 F81	Y24-F59 AromaticContact CD2-CE1 3.54Å; Y24-F59 HydrophobicContact CD2-CE1 3.54Å; Y24-F59 HydrophobicContact CD2-CZ 4.3Å; Y24-F59 HydrophobicContact CE2-CD1 4.42Å; Y24-F59 AromaticContact CE2-CE1 3.75Å; Y24-F59 HydrophobicContact CE2-CE1 3.75Å; Y24-F59 HydrophobicContact CG-CE1 4.06Å; Y24-F59 HydrophobicContact CG-CZ 4.38Å; L44-F59 HydrophobicContact CD2-CE2 4.05Å; L44-F59 HydrophobicContact CD2-CZ 3.57Å; I55-F59 HydrophobicContact CG2-CD1 4.31Å; I55-F59 HydrophobicContact CG2-CD2 4.19Å; I55-F59 HydrophobicContact CG2-CE1 4.05Å; I55-F59 HydrophobicContact CG2-CE2 3.92Å; I55-F59 HydrophobicContact CG2-CG 4.38Å; I55-F59 HydrophobicContact CG2-CZ 3.86Å; I55-F59 WeakPolarHBondContact O-CB 3.34Å; I55-F59 WeakPolarHBondContact O-CD1 3.11Å; I55-F59 WeakPolarHBondContact O-CG 3.31Å; I55-F59 PolarHBondContact O-N 2.91Å; R56-F59 PolarHBondContact O-N 2.84Å; R57-F59 VanDerWaalsContact C-N 3.31Å; R57-F59 PolarHBondContact O-N 2.96Å; F59-H61 PolarHBondContact O-N 2.94Å; F59-H61 VanDerWaalsContact O-N 3.07Å; F59-F62 PolarHBondContact O-N 3.24Å; F59-L65 HydrophobicContact CB-CD1 4.28Å; F59-Y72 HydrophobicContact CB-CE1 4.24Å; F59-Y72 AromaticContact CD2-CD1 3.8Å; F59-Y72 HydrophobicContact CD2-CD1 3.8Å; F59-Y72 AromaticContact CD2-CD2 3.94Å; F59-Y72 HydrophobicContact CD2-CD2 3.94Å; F59-Y72 AromaticContact CD2-CE1 3.69Å; F59-Y72 HydrophobicContact CD2-CE1 3.69Å; F59-Y72 AromaticContact CD2-CE2 3.82Å; F59-Y72 HydrophobicContact CD2-CE2 3.82Å; F59-Y72 AromaticContact CD2-CG 3.93Å; F59-Y72 HydrophobicContact CD2-CG 3.93Å; F59-Y72 AromaticContact CD2-CZ 3.69Å; F59-Y72 HydrophobicContact CE2-CD1 4.43Å; F59-Y72 AromaticContact CE2-CD2 3.96Å; F59-Y72 HydrophobicContact CE2-CD2 3.96Å; F59-Y72 HydrophobicContact CE2-CE2 4.15Å; F59-Y72 HydrophobicContact CE2-CG 4.11Å; F59-Y72 HydrophobicContact CG-CE1 4.48Å; F59-L77 HydrophobicContact CD2-CD1 4.39Å; F59-L77 HydrophobicContact CD2-CD2 3.88Å; F59-L77 HydrophobicContact CE2-CD1 3.6Å; F59-L77 HydrophobicContact CE2-CD2 3.77Å; F59-L77 HydrophobicContact CE2-CG 4.37Å; F59-L77 HydrophobicContact CZ-CD1 4.15Å; F59-L77 HydrophobicContact CZ-CD2 4.31Å; F59-F81 HydrophobicContact CD1-CE2 4.36Å; F59-F81 AromaticContact CD1-CZ 3.64Å; F59-F81 HydrophobicContact CD1-CZ 3.64Å; F59-F81 AromaticContact CE1-CE2 3.61Å; F59-F81 HydrophobicContact CE1-CE2 3.61Å; F59-F81 AromaticContact CE1-CZ 3.34Å; F59-F81 HydrophobicContact CE1-CZ 3.34Å; F59-F81 HydrophobicContact CE2-CZ 4.49Å; F59-F81 HydrophobicContact CG-CZ 4.34Å; F59-F81 AromaticContact CZ-CE2 3.76Å; F59-F81 HydrophobicContact CZ-CE2 3.76Å; F59-F81 AromaticContact CZ-CZ 3.82Å; F59-F81 HydrophobicContact CZ-CZ 3.82Å
60	S	85.4	Confident	83.1	Confident	80 Å²	80	70.4 Å²	70.4	56%	0.559	39%	0.393	S	S	*	.	H	α-helix	trans	-59.7	-19	176.5	70.4	0	0	0	0	114.3	R56 R57 D58 F62	R56-S60 WeakPolarHBondContact O-CB 3.33Å; R56-S60 PolarHBondContact O-N 3.45Å; R57-S60 PolarHBondContact O-N 3.44Å; R57-S60 PolarHBondContact O-OG 3.46Å; D58-S60 VanDerWaalsContact C-N 3.34Å; D58-S60 PolarHBondContact O-N 3.5Å; S60-F62 PolarHBondContact O-N 2.9Å
61	H	82.7	Confident	83	Confident	64 Å²	64	70 Å²	70	30%	0.296	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-16.8	175.5	-59.2	110.8	0	0	0	113.8	R57 D58 F59	R57-H61 PolarHBondContact O-CE1 3.21Å; R57-H61 PolarHBondContact O-ND1 3.05Å; D58-H61 WeakPolarHBondContact O-CB 3.45Å; D58-H61 PolarHBondContact O-N 3.25Å; D58-H61 PolarHBondContact O-ND1 3.47Å; F59-H61 PolarHBondContact O-N 2.94Å; F59-H61 VanDerWaalsContact O-N 3.07Å
62	F	79.2	Confident	82.9	Confident	31 Å²	31	69.9 Å²	69.9	14%	0.136	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	19.4	-173.4	-45.4	-72.7	0	0	0	112.9	I10 L21 D58 F59 S60 L65 V80 F81 M84	I10-F62 HydrophobicContact CD1-CD1 3.46Å; I10-F62 VanDerWaalsContact CD1-CD1 3.46Å; I10-F62 HydrophobicContact CD1-CE1 3.34Å; I10-F62 HydrophobicContact CD1-CZ 4.46Å; I10-F62 HydrophobicContact CG2-CE1 4.08Å; L21-F62 HydrophobicContact CD1-CE1 4.45Å; L21-F62 HydrophobicContact CD1-CZ 3.95Å; L21-F62 HydrophobicContact CD2-CE2 3.79Å; L21-F62 HydrophobicContact CD2-CZ 3.67Å; L21-F62 HydrophobicContact CG-CZ 4.37Å; D58-F62 WeakPolarHBondContact O-CD2 3.47Å; D58-F62 WeakPolarHBondContact O-CE2 3.33Å; F59-F62 PolarHBondContact O-N 3.24Å; S60-F62 PolarHBondContact O-N 2.9Å; F62-L65 HydrophobicContact CB-CD1 3.69Å; F62-L65 HydrophobicContact CB-CG 4.31Å; F62-L65 HydrophobicContact CD2-CD1 4.12Å; F62-L65 HydrophobicContact CG-CD1 4.36Å; F62-V80 HydrophobicContact CB-CG1 3.96Å; F62-V80 HydrophobicContact CG-CG1 4.31Å; F62-F81 AromaticContact CD2-CE1 3.72Å; F62-F81 HydrophobicContact CD2-CE1 3.72Å; F62-F81 HydrophobicContact CD2-CZ 4.45Å; F62-F81 AromaticContact CE2-CE1 3.81Å; F62-F81 HydrophobicContact CE2-CE1 3.81Å; F62-F81 HydrophobicContact CE2-CZ 4.46Å; F62-F81 HydrophobicContact CG-CE1 4.34Å; F62-F81 HydrophobicContact CZ-CE1 4.48Å; F62-M84 HydrophobicContact CD1-CE 3.32Å; F62-M84 HydrophobicContact CD1-SD 3.59Å; F62-M84 VanDerWaalsContact CD1-SD 3.59Å; F62-M84 HydrophobicContact CE1-CE 3.32Å; F62-M84 HydrophobicContact CE1-SD 3.29Å; F62-M84 WeakPolarHBondContact CE1-SD 3.14Å; F62-M84 HydrophobicContact CG-CE 4Å; F62-M84 HydrophobicContact CZ-CE 4.02Å; F62-M84 HydrophobicContact CZ-SD 4.28Å
63	G	75.5	Confident	82.9	Confident	47 Å²	47	70.1 Å²	70.1	49%	0.485	38%	0.379	S	S	.	.	S	Bend	trans	84.8	-160.5	-178.4	0	0	0	0	0	113.3	L65	G63-L65 VanDerWaalsContact C-N 3.34Å; G63-L65 PolarHBondContact O-N 3.37Å
64	E	74.9	Confident	83	Confident	195 Å²	195	67.7 Å²	67.7	91%	0.911	36%	0.359	S	S	*	.			trans	-81.7	76.1	-176.2	-64	-170.1	172.1	0	0	111.5	G66	E64-G66 PolarHBondContact O-N 3.22Å
65	L	74.6	Confident	83.1	Confident	18 Å²	18	69.2 Å²	69.2	9%	0.094	37%	0.365	C	S	.	.			trans	-75	5.8	175.7	-61.7	170.7	0	0	0	113.8	F59 F62 G63 Y72 L77 V80 F81	F59-L65 HydrophobicContact CB-CD1 4.28Å; F62-L65 HydrophobicContact CB-CD1 3.69Å; F62-L65 HydrophobicContact CB-CG 4.31Å; F62-L65 HydrophobicContact CD2-CD1 4.12Å; F62-L65 HydrophobicContact CG-CD1 4.36Å; G63-L65 VanDerWaalsContact C-N 3.34Å; G63-L65 PolarHBondContact O-N 3.37Å; L65-Y72 HydrophobicContact CB-CD1 4.19Å; L65-Y72 WeakPolarHBondContact O-CD1 3.2Å; L65-L77 HydrophobicContact CB-CD2 3.89Å; L65-L77 HydrophobicContact CD1-CD2 3.56Å; L65-L77 HydrophobicContact CD2-CD2 4.43Å; L65-L77 HydrophobicContact CG-CD2 4.16Å; L65-V80 HydrophobicContact CD2-CB 4.23Å; L65-V80 HydrophobicContact CD2-CG1 4.23Å; L65-V80 HydrophobicContact CD2-CG2 3.79Å; L65-F81 HydrophobicContact CD1-CE1 4.42Å
66	G	67	Low	83	Confident	32 Å²	32	73.2 Å²	73.2	33%	0.33	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	171	172.2	-178.5	0	0	0	0	0	113.5	E64	E64-G66 PolarHBondContact O-N 3.22Å
67	R	67.7	Low	83.1	Confident	203 Å²	203	67.3 Å²	67.3	77%	0.766	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	143.2	176.2	-63.1	-179.2	-178.7	177.7	0.7	110.4	G69 Y70	R67-G69 PolarHBondContact O-N 3.42Å; R67-Y70 PolarHBondContact O-N 2.88Å; R67-Y70 VanDerWaalsContact O-N 3.16Å
68	S	65.4	Low	83.3	Confident	133 Å²	133	60.9 Å²	60.9	93%	0.93	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	132.4	176.5	-169.3	0	0	0	0	111.1	Y70	S68-Y70 PolarHBondContact O-N 2.98Å; S68-Y70 VanDerWaalsContact O-N 3.12Å
69	G	70.7	Confident	83.4	Confident	69 Å²	69	67.2 Å²	67.2	71%	0.711	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-23.3	-179.5	0	0	0	0	0	116.4	R67	R67-G69 PolarHBondContact O-N 3.42Å
70	Y	82.8	Confident	83.4	Confident	146 Å²	146	69.1 Å²	69.1	57%	0.573	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-15.1	-175.4	-166.6	-121	0	0	0	114	R38 R67 S68	R38-Y70 PolarHBondContact NE-O 3.47Å; R67-Y70 PolarHBondContact O-N 2.88Å; R67-Y70 VanDerWaalsContact O-N 3.16Å; S68-Y70 PolarHBondContact O-N 2.98Å; S68-Y70 VanDerWaalsContact O-N 3.12Å
71	G	90.8	Very high	83.6	Confident	8 Å²	8	65.3 Å²	65.3	8%	0.082	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	83.1	169.8	-175.6	0	0	0	0	0	113	R38 I39	R38-G71 PolarHBondContact NH2-O 3.15Å; I39-G71 CarbonylContact O-C 3.58Å; I39-G71 WeakPolarHBondContact O-CA 3.46Å
72	Y	93.1	Very high	83.8	Confident	37 Å²	37	62.9 Å²	62.9	15%	0.145	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	145.2	-179.5	-54.6	-78.5	0	0	0	110.5	R38 I39 R56 F59 L65 L77	R38-Y72 CarbonylContact C-O 3.58Å; R38-Y72 WeakPolarHBondContact CA-O 3.49Å; I39-Y72 PolarHBondContact N-O 3.29Å; I39-Y72 WeakPolarHBondContact O-CD2 3.39Å; I39-Y72 PolarHBondContact O-N 2.94Å; R56-Y72 WeakPolarHBondContact CG-OH 3.31Å; F59-Y72 HydrophobicContact CB-CE1 4.24Å; F59-Y72 AromaticContact CD2-CD1 3.8Å; F59-Y72 HydrophobicContact CD2-CD1 3.8Å; F59-Y72 AromaticContact CD2-CD2 3.94Å; F59-Y72 HydrophobicContact CD2-CD2 3.94Å; F59-Y72 AromaticContact CD2-CE1 3.69Å; F59-Y72 HydrophobicContact CD2-CE1 3.69Å; F59-Y72 AromaticContact CD2-CE2 3.82Å; F59-Y72 HydrophobicContact CD2-CE2 3.82Å; F59-Y72 AromaticContact CD2-CG 3.93Å; F59-Y72 HydrophobicContact CD2-CG 3.93Å; F59-Y72 AromaticContact CD2-CZ 3.69Å; F59-Y72 HydrophobicContact CE2-CD1 4.43Å; F59-Y72 AromaticContact CE2-CD2 3.96Å; F59-Y72 HydrophobicContact CE2-CD2 3.96Å; F59-Y72 HydrophobicContact CE2-CE2 4.15Å; F59-Y72 HydrophobicContact CE2-CG 4.11Å; F59-Y72 HydrophobicContact CG-CE1 4.48Å; L65-Y72 HydrophobicContact CB-CD1 4.19Å; L65-Y72 WeakPolarHBondContact O-CD1 3.2Å; Y72-L77 VanDerWaalsContact CB-CD1 3.47Å; Y72-L77 HydrophobicContact CG-CD1 4.16Å
73	D	93	Very high	84.1	Confident	35 Å²	35	65.8 Å²	65.8	19%	0.187	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	125.4	171.5	-172	-74.3	0	0	0	109.7	R38 N75 D76 L77	R38-D73 IonicContact NH1-OD2 3.82Å; D73-N75 WeakPolarHBondContact OD1-CB 3.45Å; D73-N75 PolarHBondContact OD1-N 3.4Å; D73-D76 HydrophobicContact CB-CB 4Å; D73-D76 PolarHBondContact OD1-N 3.35Å; D73-L77 VanDerWaalsContact O-CG 3.25Å; D73-L77 WeakPolarHBondContact O-CG 3.39Å; D73-L77 PolarHBondContact O-N 3.25Å; D73-L77 VanDerWaalsContact O-N 3.1Å
74	V	95.3	Very high	84.4	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-66.2	-40.1	-174.1	171	0	0	0	0	111.1	L28 L31 E32 V36 T37 I39 L77 I78	L28-V74 HydrophobicContact CB-CG1 4.49Å; L28-V74 HydrophobicContact CD2-CG1 4.22Å; L28-V74 HydrophobicContact CD2-CG2 4.34Å; L31-V74 HydrophobicContact CB-CG1 4.28Å; E32-V74 HydrophobicContact CB-CG1 4.21Å; V36-V74 HydrophobicContact CG1-CG2 4.43Å; V36-V74 WeakPolarHBondContact O-CB 3.31Å; V36-V74 WeakPolarHBondContact O-CG2 3.5Å; T37-V74 PolarHBondContact O-N 3.36Å; I39-V74 HydrophobicContact CB-CG2 4.34Å; I39-V74 HydrophobicContact CG2-CG2 4.04Å; V74-L77 PolarHBondContact O-N 3.22Å; V74-I78 HydrophobicContact CG1-CD1 3.81Å; V74-I78 HydrophobicContact CG1-CG1 4.43Å; V74-I78 VanDerWaalsContact O-CG1 3.26Å; V74-I78 WeakPolarHBondContact O-CG1 3.34Å; V74-I78 PolarHBondContact O-N 3.07Å
75	N	93.9	Very high	84.7	Confident	74 Å²	74	59.5 Å²	59.5	40%	0.396	32%	0.321	S	S	.	.	H	α-helix	trans	-72	-39.9	-177.3	-66.3	-28	0	0	0	111.2	E32 D73 L77 I78 K79	E32-N75 PolarHBondContact OE1-OD1 2.86Å; D73-N75 WeakPolarHBondContact OD1-CB 3.45Å; D73-N75 PolarHBondContact OD1-N 3.4Å; N75-L77 VanDerWaalsContact C-N 3.34Å; N75-L77 PolarHBondContact O-N 2.98Å; N75-I78 PolarHBondContact O-N 3.09Å; N75-K79 WeakPolarHBondContact O-CB 3.37Å; N75-K79 PolarHBondContact O-N 2.78Å
76	D	92.2	Very high	84.8	Confident	85 Å²	85	62.1 Å²	62.1	46%	0.455	33%	0.333	S	S	.	.	H	α-helix	trans	-62.2	-42.8	174.4	-70.8	-24.4	0	0	0	111.3	D73 K79 V80	D73-D76 HydrophobicContact CB-CB 4Å; D73-D76 PolarHBondContact OD1-N 3.35Å; D76-K79 PolarHBondContact O-N 3Å; D76-V80 WeakPolarHBondContact O-CB 3.48Å; D76-V80 VanDerWaalsContact O-CG2 3.29Å; D76-V80 WeakPolarHBondContact O-CG2 3.27Å; D76-V80 PolarHBondContact O-N 3.4Å
77	L	93.2	Very high	84.9	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.2	-44.8	175.4	-70	179.4	0	0	0	112.2	L28 I39 F59 L65 Y72 D73 V74 N75 K79 V80 F81	L28-L77 HydrophobicContact CD1-CB 3.61Å; L28-L77 HydrophobicContact CD1-CD1 4.05Å; L28-L77 HydrophobicContact CD1-CG 4.47Å; L28-L77 HydrophobicContact CD2-CB 4.16Å; L28-L77 HydrophobicContact CD2-CD1 3.63Å; L28-L77 HydrophobicContact CG-CD1 4.5Å; I39-L77 HydrophobicContact CG2-CD1 4.43Å; F59-L77 HydrophobicContact CD2-CD1 4.39Å; F59-L77 HydrophobicContact CD2-CD2 3.88Å; F59-L77 HydrophobicContact CE2-CD1 3.6Å; F59-L77 HydrophobicContact CE2-CD2 3.77Å; F59-L77 HydrophobicContact CE2-CG 4.37Å; F59-L77 HydrophobicContact CZ-CD1 4.15Å; F59-L77 HydrophobicContact CZ-CD2 4.31Å; L65-L77 HydrophobicContact CB-CD2 3.89Å; L65-L77 HydrophobicContact CD1-CD2 3.56Å; L65-L77 HydrophobicContact CD2-CD2 4.43Å; L65-L77 HydrophobicContact CG-CD2 4.16Å; Y72-L77 VanDerWaalsContact CB-CD1 3.47Å; Y72-L77 HydrophobicContact CG-CD1 4.16Å; D73-L77 VanDerWaalsContact O-CG 3.25Å; D73-L77 WeakPolarHBondContact O-CG 3.39Å; D73-L77 PolarHBondContact O-N 3.25Å; D73-L77 VanDerWaalsContact O-N 3.1Å; V74-L77 PolarHBondContact O-N 3.22Å; N75-L77 VanDerWaalsContact C-N 3.34Å; N75-L77 PolarHBondContact O-N 2.98Å; L77-K79 VanDerWaalsContact C-N 3.33Å; L77-K79 PolarHBondContact O-N 3.31Å; L77-V80 PolarHBondContact O-N 3.49Å; L77-F81 HydrophobicContact CB-CE2 4.31Å; L77-F81 HydrophobicContact CD2-CE2 4.19Å; L77-F81 HydrophobicContact CD2-CZ 3.91Å; L77-F81 WeakPolarHBondContact O-CB 3.47Å; L77-F81 VanDerWaalsContact O-CG 3.27Å; L77-F81 WeakPolarHBondContact O-CG 3.38Å; L77-F81 PolarHBondContact O-N 3.22Å
78	I	92.9	Very high	85.2	Confident	15 Å²	15	61.7 Å²	61.7	8%	0.077	33%	0.332	C	S	.	.	H	α-helix	trans	-58.9	-48.6	176.7	-72.1	168.6	0	0	0	109.7	L25 L28 K29 E32 V74 N75 V80 F81 S82	L25-I78 HydrophobicContact CD1-CB 4.43Å; L25-I78 HydrophobicContact CD1-CG1 4.38Å; L25-I78 HydrophobicContact CD1-CG2 4.19Å; L28-I78 HydrophobicContact CB-CD1 4.19Å; L28-I78 HydrophobicContact CB-CG1 3.64Å; K29-I78 HydrophobicContact CG-CD1 4.44Å; E32-I78 HydrophobicContact CB-CD1 3.58Å; E32-I78 HydrophobicContact CG-CD1 4.1Å; V74-I78 HydrophobicContact CG1-CD1 3.81Å; V74-I78 HydrophobicContact CG1-CG1 4.43Å; V74-I78 VanDerWaalsContact O-CG1 3.26Å; V74-I78 WeakPolarHBondContact O-CG1 3.34Å; V74-I78 PolarHBondContact O-N 3.07Å; N75-I78 PolarHBondContact O-N 3.09Å; I78-V80 PolarHBondContact O-N 3.14Å; I78-F81 PolarHBondContact O-N 3.28Å; I78-S82 WeakPolarHBondContact O-CB 3.39Å; I78-S82 PolarHBondContact O-N 2.92Å; I78-S82 PolarHBondContact O-OG 2.97Å
79	K	91	Very high	86	Confident	138 Å²	138	62.8 Å²	62.8	60%	0.6	32%	0.322	S	S	*	.	H	α-helix	trans	-56.6	-53	179	-177.8	-179.4	179.4	-178.6	0	111.3	N75 D76 L77 F81 S82 D83	N75-K79 WeakPolarHBondContact O-CB 3.37Å; N75-K79 PolarHBondContact O-N 2.78Å; D76-K79 PolarHBondContact O-N 3Å; L77-K79 VanDerWaalsContact C-N 3.33Å; L77-K79 PolarHBondContact O-N 3.31Å; K79-F81 PolarHBondContact O-N 2.99Å; K79-S82 PolarHBondContact O-N 3.45Å; K79-D83 WeakPolarHBondContact O-CB 3.31Å; K79-D83 PolarHBondContact O-N 2.86Å
80	V	89.5	Confident	86.9	Confident	41 Å²	41	64 Å²	64	25%	0.248	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-42.2	-177.5	168.7	0	0	0	0	111.8	F62 L65 D76 L77 I78 M84	F62-V80 HydrophobicContact CB-CG1 3.96Å; F62-V80 HydrophobicContact CG-CG1 4.31Å; L65-V80 HydrophobicContact CD2-CB 4.23Å; L65-V80 HydrophobicContact CD2-CG1 4.23Å; L65-V80 HydrophobicContact CD2-CG2 3.79Å; D76-V80 WeakPolarHBondContact O-CB 3.48Å; D76-V80 VanDerWaalsContact O-CG2 3.29Å; D76-V80 WeakPolarHBondContact O-CG2 3.27Å; D76-V80 PolarHBondContact O-N 3.4Å; L77-V80 PolarHBondContact O-N 3.49Å; I78-V80 PolarHBondContact O-N 3.14Å; V80-M84 HydrophobicContact CG1-CE 3.54Å; V80-M84 WeakPolarHBondContact O-CE 3.42Å; V80-M84 PolarHBondContact O-N 3.43Å
81	F	89.8	Confident	87.3	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-77.2	-33.8	-179.7	-62.5	-14.5	0	0	0	113.2	L21 Y24 L25 L28 F59 F62 L65 L77 I78 K79 M84 L85	L21-F81 HydrophobicContact CD2-CD1 4Å; L21-F81 HydrophobicContact CD2-CE1 3.86Å; L21-F81 HydrophobicContact CD2-CG 4.43Å; L21-F81 HydrophobicContact CD2-CZ 4.17Å; Y24-F81 HydrophobicContact CD2-CE2 4.33Å; L25-F81 HydrophobicContact CB-CB 4.26Å; L25-F81 HydrophobicContact CD1-CB 4.19Å; L28-F81 HydrophobicContact CD1-CD2 3.64Å; L28-F81 HydrophobicContact CD1-CE2 3.73Å; F59-F81 HydrophobicContact CD1-CE2 4.36Å; F59-F81 AromaticContact CD1-CZ 3.64Å; F59-F81 HydrophobicContact CD1-CZ 3.64Å; F59-F81 AromaticContact CE1-CE2 3.61Å; F59-F81 HydrophobicContact CE1-CE2 3.61Å; F59-F81 AromaticContact CE1-CZ 3.34Å; F59-F81 HydrophobicContact CE1-CZ 3.34Å; F59-F81 HydrophobicContact CE2-CZ 4.49Å; F59-F81 HydrophobicContact CG-CZ 4.34Å; F59-F81 AromaticContact CZ-CE2 3.76Å; F59-F81 HydrophobicContact CZ-CE2 3.76Å; F59-F81 AromaticContact CZ-CZ 3.82Å; F59-F81 HydrophobicContact CZ-CZ 3.82Å; F62-F81 AromaticContact CD2-CE1 3.72Å; F62-F81 HydrophobicContact CD2-CE1 3.72Å; F62-F81 HydrophobicContact CD2-CZ 4.45Å; F62-F81 AromaticContact CE2-CE1 3.81Å; F62-F81 HydrophobicContact CE2-CE1 3.81Å; F62-F81 HydrophobicContact CE2-CZ 4.46Å; F62-F81 HydrophobicContact CG-CE1 4.34Å; F62-F81 HydrophobicContact CZ-CE1 4.48Å; L65-F81 HydrophobicContact CD1-CE1 4.42Å; L77-F81 HydrophobicContact CB-CE2 4.31Å; L77-F81 HydrophobicContact CD2-CE2 4.19Å; L77-F81 HydrophobicContact CD2-CZ 3.91Å; L77-F81 WeakPolarHBondContact O-CB 3.47Å; L77-F81 VanDerWaalsContact O-CG 3.27Å; L77-F81 WeakPolarHBondContact O-CG 3.38Å; L77-F81 PolarHBondContact O-N 3.22Å; I78-F81 PolarHBondContact O-N 3.28Å; K79-F81 PolarHBondContact O-N 2.99Å; F81-M84 HydrophobicContact CD1-CE 3.58Å; F81-M84 HydrophobicContact CE1-CE 4.17Å; F81-M84 PolarHBondContact O-N 2.81Å; F81-L85 WeakPolarHBondContact O-CB 3.23Å; F81-L85 WeakPolarHBondContact O-CG 3.48Å; F81-L85 PolarHBondContact O-N 2.78Å
82	S	87.7	Confident	87.5	Confident	14 Å²	14	63.2 Å²	63.2	10%	0.098	31%	0.305	C	S	.	.	H	α-helix	trans	-66.2	-46.4	174.1	-55.7	0	0	0	0	110.2	L25 I78 K79 M84 L85 E86	L25-S82 WeakPolarHBondContact CD1-OG 3.27Å; I78-S82 WeakPolarHBondContact O-CB 3.39Å; I78-S82 PolarHBondContact O-N 2.92Å; I78-S82 PolarHBondContact O-OG 2.97Å; K79-S82 PolarHBondContact O-N 3.45Å; S82-M84 PolarHBondContact O-N 2.86Å; S82-L85 PolarHBondContact O-N 2.62Å; S82-E86 WeakPolarHBondContact O-CA 3.31Å; S82-E86 VanDerWaalsContact O-CB 3.25Å; S82-E86 WeakPolarHBondContact O-CB 3.4Å; S82-E86 PolarHBondContact O-N 2.88Å
83	D	85	Confident	87.7	Confident	92 Å²	92	61.8 Å²	61.8	49%	0.492	30%	0.299	S	S	.	.	H	α-helix	trans	-57.5	-25.9	176	-83.4	-29	0	0	0	113.3	K79	K79-D83 WeakPolarHBondContact O-CB 3.31Å; K79-D83 PolarHBondContact O-N 2.86Å
84	M	82.9	Confident	87.9	Confident	60 Å²	60	60.1 Å²	60.1	30%	0.296	29%	0.29	S	S	.	.	H	α-helix	trans	-90.1	-36.7	177.4	-77.3	-172	-81.3	0	0	114.6	I10 F62 V80 F81 S82	I10-M84 HydrophobicContact CD1-SD 4.41Å; F62-M84 HydrophobicContact CD1-CE 3.32Å; F62-M84 HydrophobicContact CD1-SD 3.59Å; F62-M84 VanDerWaalsContact CD1-SD 3.59Å; F62-M84 HydrophobicContact CE1-CE 3.32Å; F62-M84 HydrophobicContact CE1-SD 3.29Å; F62-M84 WeakPolarHBondContact CE1-SD 3.14Å; F62-M84 HydrophobicContact CG-CE 4Å; F62-M84 HydrophobicContact CZ-CE 4.02Å; F62-M84 HydrophobicContact CZ-SD 4.28Å; V80-M84 HydrophobicContact CG1-CE 3.54Å; V80-M84 WeakPolarHBondContact O-CE 3.42Å; V80-M84 PolarHBondContact O-N 3.43Å; F81-M84 HydrophobicContact CD1-CE 3.58Å; F81-M84 HydrophobicContact CE1-CE 4.17Å; F81-M84 PolarHBondContact O-N 2.81Å; S82-M84 PolarHBondContact O-N 2.86Å
85	L	81.1	Confident	88	Confident	50 Å²	50	60.1 Å²	60.1	26%	0.262	29%	0.29	S	S	.	.	H	α-helix	trans	-99.5	-33.4	-171.5	-68.4	174.3	0	0	0	113.2	T18 L21 L25 F81 S82	T18-L85 HydrophobicContact CG2-CD2 4.17Å; L21-L85 HydrophobicContact CB-CD1 3.9Å; L21-L85 HydrophobicContact CB-CD2 4.18Å; L21-L85 HydrophobicContact CB-CG 4.33Å; L25-L85 HydrophobicContact CB-CD1 4.2Å; L25-L85 HydrophobicContact CD2-CB 4.44Å; L25-L85 HydrophobicContact CD2-CD1 3.89Å; F81-L85 WeakPolarHBondContact O-CB 3.23Å; F81-L85 WeakPolarHBondContact O-CG 3.48Å; F81-L85 PolarHBondContact O-N 2.78Å; S82-L85 PolarHBondContact O-N 2.62Å
86	E	75.5	Confident	88.2	Confident	73 Å²	73	56.6 Å²	56.6	34%	0.341	27%	0.272	S	S	.	.	S	Bend	trans	-80.1	126.5	-177.4	-62.5	-178	171.7	0	0	109.1	K29 S82 K88	K29-E86 IonicContact NZ-OE1 2.73Å; K29-E86 PolarHBondContact NZ-OE1 2.9Å; S82-E86 WeakPolarHBondContact O-CA 3.31Å; S82-E86 VanDerWaalsContact O-CB 3.25Å; S82-E86 WeakPolarHBondContact O-CB 3.4Å; S82-E86 PolarHBondContact O-N 2.88Å; E86-K88 PolarHBondContact O-N 2.74Å
87	T	69.4	Low	88.5	Confident	54 Å²	54	52.9 Å²	52.9	33%	0.331	25%	0.254	S	S	.	.			trans	-72.1	124.6	169	-44.9	0	0	0	0	106.8	E89 N115	T87-E89 WeakPolarHBondContact CB-O 3.33Å; T87-E89 WeakPolarHBondContact CG2-O 3.26Å; T87-E89 PolarHBondContact O-N 2.89Å; T87-N115 PolarHBondContact O-ND2 3.21Å
88	K	74.3	Confident	88.7	Confident	172 Å²	172	52.9 Å²	52.9	75%	0.748	25%	0.254	S	S	*	.	S	Bend	trans	-71.9	-19.9	176.9	-66.6	-174.8	177.9	-176.3	0	112.7	E86	E86-K88 PolarHBondContact O-N 2.74Å
89	E	82.9	Confident	88.9	Confident	155 Å²	155	53.5 Å²	53.5	72%	0.724	26%	0.263	S	S	*	.	S	Bend	trans	-112.8	152.5	-179.7	-64.3	175.3	-176.5	0	0	109.1	T87 K91	T87-E89 WeakPolarHBondContact CB-O 3.33Å; T87-E89 WeakPolarHBondContact CG2-O 3.26Å; T87-E89 PolarHBondContact O-N 2.89Å; E89-K91 PolarHBondContact O-N 2.84Å
90	E	88.2	Confident	89.1	Confident	94 Å²	94	54 Å²	54	44%	0.439	27%	0.272	S	S	.	.			trans	-56.9	131.5	172.8	-178	-175.3	-156.3	0	0	110.4	R92 N117	E90-R92 HydrophobicContact CG-CG 4.25Å; E90-R92 IonicContact OE1-NH1 2.58Å; E90-R92 PolarHBondContact OE1-NH1 3.03Å; E90-R92 IonicContact OE2-NH1 3.74Å; E90-R92 PolarHBondContact OE2-NH1 3.24Å; E90-N117 PolarHBondContact OE1-ND2 3.48Å
91	K	92.1	Very high	89.3	Confident	62 Å²	62	55.2 Å²	55.2	27%	0.27	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	108.1	168.5	-159.2	67.8	176	176.7	0	109.6	E89 N115 L116 N117 T154 V155	E89-K91 PolarHBondContact O-N 2.84Å; K91-N115 WeakPolarHBondContact CA-O 3.49Å; K91-N115 WeakPolarHBondContact CB-O 3.46Å; K91-N115 PolarHBondContact N-O 3.49Å; K91-L116 HydrophobicContact CB-CD2 3.86Å; K91-N117 PolarHBondContact O-N 3.07Å; K91-T154 VanDerWaalsContact CE-OG1 3.28Å; K91-T154 WeakPolarHBondContact CE-OG1 3.24Å; K91-T154 PolarHBondContact NZ-OG1 3.41Å; K91-V155 HydrophobicContact CD-CG2 4.15Å; K91-V155 HydrophobicContact CG-CB 4.49Å; K91-V155 HydrophobicContact CG-CG2 3.94Å
92	R	94.1	Very high	89.7	Confident	76 Å²	76	55.2 Å²	55.2	29%	0.287	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	127.3	173.8	-55.9	-178.2	78.1	71	1.1	109.7	E90 N117 V119 E151 I153	E90-R92 HydrophobicContact CG-CG 4.25Å; E90-R92 IonicContact OE1-NH1 2.58Å; E90-R92 PolarHBondContact OE1-NH1 3.03Å; E90-R92 IonicContact OE2-NH1 3.74Å; E90-R92 PolarHBondContact OE2-NH1 3.24Å; R92-N117 CarbonylContact C-O 3.53Å; R92-V119 HydrophobicContact CB-CG1 4.18Å; R92-V119 HydrophobicContact CB-CG2 3.85Å; R92-V119 HydrophobicContact CG-CG1 4.22Å; R92-E151 VanDerWaalsContact CD-O 3.31Å; R92-E151 WeakPolarHBondContact CD-O 3.27Å; R92-E151 IonicContact CZ-OE2 3.13Å; R92-E151 PolarHBondContact NE-O 3.41Å; R92-E151 IonicContact NE-OE2 3.35Å; R92-E151 PolarHBondContact NE-OE2 3.5Å; R92-E151 IonicContact NH2-OE1 2.82Å; R92-E151 IonicContact NH2-OE2 3.58Å; R92-E151 PolarHBondContact NH2-OE2 3.25Å; R92-I153 HydrophobicContact CB-CD1 3.73Å
93	I	96.9	Very high	90.1	Very high	7 Å²	7	57.2 Å²	57.2	4%	0.036	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133.5	-171.9	-57.6	168.4	0	0	0	109.2	F110 L116 N117 I118 V119 V155 I157	I93-F110 HydrophobicContact CD1-CE2 4.45Å; I93-L116 HydrophobicContact CD1-CB 4.13Å; I93-L116 HydrophobicContact CD1-CD2 4.45Å; I93-N117 WeakPolarHBondContact CB-O 3.28Å; I93-N117 PolarHBondContact N-O 3.47Å; I93-I118 HydrophobicContact CB-CG1 4.45Å; I93-I118 HydrophobicContact CG2-CG1 4.43Å; I93-I118 VanDerWaalsContact O-CA 3.32Å; I93-I118 WeakPolarHBondContact O-CA 3.48Å; I93-V119 PolarHBondContact O-N 3.17Å; I93-V155 WeakPolarHBondContact CA-O 3.47Å; I93-V155 HydrophobicContact CG1-CB 4.19Å; I93-V155 HydrophobicContact CG1-CG1 4.01Å; I93-V155 HydrophobicContact CG2-CG1 4.16Å; I93-I157 HydrophobicContact CG2-CD1 3.64Å; I93-I157 HydrophobicContact CG2-CG1 3.76Å
94	A	98	Very high	90.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	139.2	167.2	0	0	0	0	0	110.8	C120 F122 L148 I153 V155 A156 I157	A94-C120 WeakPolarHBondContact CA-O 3.43Å; A94-F122 HydrophobicContact CB-CD2 4.46Å; A94-F122 HydrophobicContact CB-CE2 3.96Å; A94-L148 HydrophobicContact CB-CD2 3.49Å; A94-L148 VanDerWaalsContact CB-CD2 3.49Å; A94-I153 HydrophobicContact CB-CG1 4.43Å; A94-I153 HydrophobicContact CB-CG2 3.82Å; A94-V155 PolarHBondContact N-O 3.05Å; A94-V155 VanDerWaalsContact N-O 3.09Å; A94-A156 CarbonylContact O-C 3.53Å; A94-A156 VanDerWaalsContact O-CA 3.31Å; A94-A156 WeakPolarHBondContact O-CA 3.37Å; A94-I157 PolarHBondContact O-N 3.43Å
95	L	98.2	Very high	91.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.9	168.2	179.6	72.5	0	0	0	110.3	G102 L105 L106 I118 C120 A121 F122 I157 T159	L95-G102 WeakPolarHBondContact CD2-O 3.42Å; L95-L105 HydrophobicContact CD1-CD1 4.34Å; L95-L106 HydrophobicContact CB-CD2 4.39Å; L95-L106 HydrophobicContact CD2-CD1 3.97Å; L95-L106 HydrophobicContact CD2-CD2 3.49Å; L95-L106 VanDerWaalsContact CD2-CD2 3.49Å; L95-L106 HydrophobicContact CD2-CG 3.44Å; L95-L106 VanDerWaalsContact CD2-CG 3.44Å; L95-I118 HydrophobicContact CB-CG2 3.98Å; L95-C120 PolarHBondContact N-O 3.38Å; L95-A121 HydrophobicContact CB-CB 4.36Å; L95-A121 CarbonylContact O-C 3.57Å; L95-A121 VanDerWaalsContact O-CA 3.31Å; L95-A121 WeakPolarHBondContact O-CA 3.43Å; L95-F122 PolarHBondContact O-N 3.03Å; L95-I157 HydrophobicContact CD1-CB 3.83Å; L95-I157 HydrophobicContact CD1-CG2 3.71Å; L95-T159 HydrophobicContact CD1-CG2 4.06Å
96	I	98.2	Very high	91.7	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124	178.3	-46.4	148.9	0	0	0	108.6	M144 A156 I157 T159 V160 A168 I169 V172	I96-M144 HydrophobicContact CG1-SD 4.33Å; I96-A156 HydrophobicContact CD1-CB 4.02Å; I96-I157 PolarHBondContact N-O 3.38Å; I96-T159 PolarHBondContact O-N 2.8Å; I96-T159 PolarHBondContact O-OG1 3.43Å; I96-V160 HydrophobicContact CG2-CG1 3.87Å; I96-A168 HydrophobicContact CG2-CB 4.06Å; I96-I169 HydrophobicContact CD1-CD1 4.21Å; I96-V172 HydrophobicContact CD1-CB 4.37Å; I96-V172 HydrophobicContact CD1-CG1 4.4Å; I96-V172 HydrophobicContact CD1-CG2 3.39Å; I96-V172 HydrophobicContact CG1-CG2 4.19Å
97	G	97.7	Very high	92.5	Very high	7 Å²	7	52.4 Å²	52.4	7%	0.072	27%	0.271	C	S	.	.			trans	86.6	112.4	-171	0	0	0	0	0	110.8	F122 T159	G97-F122 PolarHBondContact N-O 3.35Å; G97-T159 PolarHBondContact O-OG1 2.88Å
98	C	97.2	Very high	93.3	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.			trans	-110.3	41.5	179.6	-61.2	0	0	0	0	110.5	Q103 F122 D123 K128 L133 I138	C98-Q103 PolarHBondContact O-NE2 2.99Å; C98-F122 PolarHBondContact SG-O 2.61Å; C98-F122 VanDerWaalsContact SG-O 3.38Å; C98-D123 VanDerWaalsContact CA-OD2 3.29Å; C98-D123 WeakPolarHBondContact CA-OD2 3.46Å; C98-D123 HydrophobicContact CB-CB 4.1Å; C98-D123 WeakPolarHBondContact CB-OD2 3.27Å; C98-D123 PolarHBondContact N-OD2 2.95Å; C98-K128 HydrophobicContact CB-CD 4.38Å; C98-K128 PolarHBondContact O-NZ 3.5Å; C98-K128 VanDerWaalsContact O-NZ 3.1Å; C98-L133 HydrophobicContact CB-CD1 4.39Å; C98-I138 HydrophobicContact CB-CD1 4.22Å
99	G	96.2	Very high	93.5	Very high	27 Å²	27	47.6 Å²	47.6	28%	0.278	25%	0.251	S	S	.	.	S	Bend	trans	-74.2	-167.1	166.8	0	0	0	0	0	112.1	L101 G102 Q103	G99-L101 VanDerWaalsContact C-N 3.31Å; G99-L101 PolarHBondContact O-N 2.93Å; G99-G102 PolarHBondContact O-N 3.36Å; G99-Q103 WeakPolarHBondContact O-CB 3.32Å; G99-Q103 WeakPolarHBondContact O-CG 3.42Å; G99-Q103 PolarHBondContact O-N 3.4Å
100	N	95.7	Very high	93.5	Very high	148 Å²	148	42.8 Å²	42.8	79%	0.791	23%	0.228	S	C	*	.	H	α-helix	trans	-54.2	-45.1	-178.1	-64.8	-12.1	0	0	0	112.9	A104	N100-A104 WeakPolarHBondContact O-CB 3.43Å; N100-A104 PolarHBondContact O-N 2.96Å
101	L	94.8	Very high	92.6	Very high	67 Å²	67	47.7 Å²	47.7	35%	0.351	24%	0.243	S	C	.	.	H	α-helix	trans	-67.8	-47.1	178.8	179.1	60	0	0	0	111.7	G99 Q103 A104 L105 T159 F183	G99-L101 VanDerWaalsContact C-N 3.31Å; G99-L101 PolarHBondContact O-N 2.93Å; L101-Q103 PolarHBondContact O-N 3.03Å; L101-A104 WeakPolarHBondContact O-CB 3.48Å; L101-A104 PolarHBondContact O-N 3.35Å; L101-L105 HydrophobicContact CG-CD1 4.49Å; L101-L105 WeakPolarHBondContact O-CG 3.34Å; L101-L105 PolarHBondContact O-N 3.42Å; L101-T159 HydrophobicContact CD2-CG2 4.01Å; L101-T159 HydrophobicContact CG-CG2 3.96Å; L101-F183 HydrophobicContact CD2-CB 3.73Å; L101-F183 HydrophobicContact CD2-CD1 3.68Å; L101-F183 HydrophobicContact CD2-CD2 4.47Å; L101-F183 HydrophobicContact CD2-CE1 4.35Å; L101-F183 HydrophobicContact CD2-CG 3.72Å
102	G	96.8	Very high	91.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.1	-48.4	175.8	0	0	0	0	0	112.2	L95 G99 A104 L105 L106	L95-G102 WeakPolarHBondContact CD2-O 3.42Å; G99-G102 PolarHBondContact O-N 3.36Å; G102-A104 VanDerWaalsContact C-N 3.34Å; G102-A104 PolarHBondContact O-N 3.36Å; G102-L105 WeakPolarHBondContact O-CA 3.44Å; G102-L105 WeakPolarHBondContact O-CB 3.45Å; G102-L105 PolarHBondContact O-N 3.09Å; G102-L105 VanDerWaalsContact O-N 3.08Å; G102-L106 WeakPolarHBondContact O-CG 3.33Å; G102-L106 PolarHBondContact O-N 3.48Å
103	Q	96.2	Very high	90.6	Very high	56 Å²	56	52.9 Å²	52.9	26%	0.262	26%	0.263	S	S	.	.	H	α-helix	trans	-63.8	-36	176.9	-70.4	177	50.1	0	0	113	C98 G99 L101 L105 L106 N107 L133	C98-Q103 PolarHBondContact O-NE2 2.99Å; G99-Q103 WeakPolarHBondContact O-CB 3.32Å; G99-Q103 WeakPolarHBondContact O-CG 3.42Å; G99-Q103 PolarHBondContact O-N 3.4Å; L101-Q103 PolarHBondContact O-N 3.03Å; Q103-L105 VanDerWaalsContact C-N 3.3Å; Q103-L105 PolarHBondContact O-N 3.17Å; Q103-L106 PolarHBondContact O-N 3.49Å; Q103-N107 PolarHBondContact O-N 3.41Å; Q103-N107 PolarHBondContact O-ND2 3.35Å; Q103-N107 VanDerWaalsContact O-ND2 3.09Å; Q103-L133 HydrophobicContact CG-CD1 4.45Å
104	A	94.9	Very high	89.7	Confident	55 Å²	55	60.8 Å²	60.8	46%	0.455	30%	0.3	S	S	.	.	H	α-helix	trans	-63.1	-38.5	172.8	0	0	0	0	0	111.7	N100 L101 G102 N108	N100-A104 WeakPolarHBondContact O-CB 3.43Å; N100-A104 PolarHBondContact O-N 2.96Å; L101-A104 WeakPolarHBondContact O-CB 3.48Å; L101-A104 PolarHBondContact O-N 3.35Å; G102-A104 VanDerWaalsContact C-N 3.34Å; G102-A104 PolarHBondContact O-N 3.36Å; A104-N108 WeakPolarHBondContact O-CB 3.14Å; A104-N108 PolarHBondContact O-N 2.73Å; A104-N108 VanDerWaalsContact O-N 3.12Å
105	L	94.6	Very high	89.2	Confident	28 Å²	28	63.3 Å²	63.3	15%	0.147	31%	0.314	C	S	.	.	H	α-helix	trans	-69	-42.5	174.8	-66.1	174.7	0	0	0	112	L95 L101 G102 Q103 N107 N108 N109 I157 T159 F183	L95-L105 HydrophobicContact CD1-CD1 4.34Å; L101-L105 HydrophobicContact CG-CD1 4.49Å; L101-L105 WeakPolarHBondContact O-CG 3.34Å; L101-L105 PolarHBondContact O-N 3.42Å; G102-L105 WeakPolarHBondContact O-CA 3.44Å; G102-L105 WeakPolarHBondContact O-CB 3.45Å; G102-L105 PolarHBondContact O-N 3.09Å; G102-L105 VanDerWaalsContact O-N 3.08Å; Q103-L105 VanDerWaalsContact C-N 3.3Å; Q103-L105 PolarHBondContact O-N 3.17Å; L105-N107 PolarHBondContact O-N 3.23Å; L105-N108 PolarHBondContact O-N 3.02Å; L105-N108 VanDerWaalsContact O-N 3.17Å; L105-N109 PolarHBondContact O-N 3.41Å; L105-I157 HydrophobicContact CD1-CG2 3.87Å; L105-T159 HydrophobicContact CD1-CG2 3.7Å; L105-F183 HydrophobicContact CD1-CD2 4.42Å; L105-F183 HydrophobicContact CD1-CE2 3.75Å; L105-F183 HydrophobicContact CD1-CZ 4.04Å; L105-F183 HydrophobicContact CD2-CZ 4.44Å
106	L	94.5	Very high	88.8	Confident	3 Å²	3	65.4 Å²	65.4	2%	0.016	33%	0.325	C	S	.	.	H	α-helix	trans	-56.9	-48.2	174.2	-68.8	177.6	0	0	0	111.7	L95 G102 Q103 N108 N109 I118 A121 C134 Y136 I138	L95-L106 HydrophobicContact CB-CD2 4.39Å; L95-L106 HydrophobicContact CD2-CD1 3.97Å; L95-L106 HydrophobicContact CD2-CD2 3.49Å; L95-L106 VanDerWaalsContact CD2-CD2 3.49Å; L95-L106 HydrophobicContact CD2-CG 3.44Å; L95-L106 VanDerWaalsContact CD2-CG 3.44Å; G102-L106 WeakPolarHBondContact O-CG 3.33Å; G102-L106 PolarHBondContact O-N 3.48Å; Q103-L106 PolarHBondContact O-N 3.49Å; L106-N108 VanDerWaalsContact C-N 3.28Å; L106-N108 PolarHBondContact O-N 2.7Å; L106-N109 WeakPolarHBondContact O-CB 3.48Å; L106-N109 PolarHBondContact O-N 3.48Å; L106-I118 HydrophobicContact CD2-CB 4.39Å; L106-I118 HydrophobicContact CD2-CD1 4.08Å; L106-I118 HydrophobicContact CD2-CG2 3.69Å; L106-A121 HydrophobicContact CD1-CB 4.37Å; L106-A121 HydrophobicContact CD2-CB 4.22Å; L106-C134 HydrophobicContact CB-CB 3.81Å; L106-C134 HydrophobicContact CD1-CB 4.43Å; L106-Y136 HydrophobicContact CB-CD2 4.05Å; L106-Y136 HydrophobicContact CB-CE2 4.1Å; L106-Y136 HydrophobicContact CD1-CD2 4.25Å; L106-Y136 HydrophobicContact CD2-CD1 4.48Å; L106-Y136 HydrophobicContact CD2-CD2 3.78Å; L106-Y136 HydrophobicContact CD2-CE2 4.01Å; L106-Y136 HydrophobicContact CD2-CG 4.03Å; L106-Y136 HydrophobicContact CG-CD2 4.23Å; L106-I138 HydrophobicContact CD1-CD1 4.47Å
107	N	92	Very high	88.5	Confident	88 Å²	88	67.2 Å²	67.2	47%	0.471	33%	0.334	S	S	.	.	H	α-helix	trans	-63.6	-33.4	177.9	-79.1	-47.5	0	0	0	113	Q103 L105 R111 C134	Q103-N107 PolarHBondContact O-N 3.41Å; Q103-N107 PolarHBondContact O-ND2 3.35Å; Q103-N107 VanDerWaalsContact O-ND2 3.09Å; L105-N107 PolarHBondContact O-N 3.23Å; N107-R111 PolarHBondContact O-NE 2.74Å; N107-R111 PolarHBondContact O-NH2 3.4Å; N107-C134 VanDerWaalsContact CG-SG 3.58Å; N107-C134 PolarHBondContact ND2-SG 3.32Å; N107-C134 WeakPolarHBondContact OD1-CB 3.33Å; N107-C134 PolarHBondContact OD1-SG 2.86Å
108	N	85.3	Confident	88.4	Confident	89 Å²	89	67.1 Å²	67.1	48%	0.476	33%	0.332	S	S	.	.	H	α-helix	trans	-77.2	-35.8	177.8	-166.3	-96.8	0	0	0	112.5	A104 L105 L106 F110 R111	A104-N108 WeakPolarHBondContact O-CB 3.14Å; A104-N108 PolarHBondContact O-N 2.73Å; A104-N108 VanDerWaalsContact O-N 3.12Å; L105-N108 PolarHBondContact O-N 3.02Å; L105-N108 VanDerWaalsContact O-N 3.17Å; L106-N108 VanDerWaalsContact C-N 3.28Å; L106-N108 PolarHBondContact O-N 2.7Å; N108-F110 PolarHBondContact O-N 3.37Å; N108-R111 WeakPolarHBondContact O-CD 3.41Å; N108-R111 WeakPolarHBondContact O-CG 3.03Å; N108-R111 PolarHBondContact O-N 3.16Å; N108-R111 PolarHBondContact O-NE 3.32Å
109	N	80	Confident	88.3	Confident	37 Å²	37	68.8 Å²	68.8	20%	0.198	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	33.8	46.5	-176.2	-164.2	31.9	0	0	0	114.5	L105 L106 R111 I118 Y136	L105-N109 PolarHBondContact O-N 3.41Å; L106-N109 WeakPolarHBondContact O-CB 3.48Å; L106-N109 PolarHBondContact O-N 3.48Å; N109-R111 PolarHBondContact O-N 2.88Å; N109-I118 PolarHBondContact OD1-N 2.81Å; N109-Y136 VanDerWaalsContact CG-OH 3.31Å; N109-Y136 PolarHBondContact ND2-OH 3.4Å
110	F	81.6	Confident	88.3	Confident	54 Å²	54	67.6 Å²	67.6	24%	0.237	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.3	36.9	178.2	-56.7	-79.8	0	0	0	115.2	I93 N108 R112 N113 L116 I118 I157	I93-F110 HydrophobicContact CD1-CE2 4.45Å; N108-F110 PolarHBondContact O-N 3.37Å; F110-R112 PolarHBondContact O-N 3.42Å; F110-N113 PolarHBondContact O-N 3.45Å; F110-L116 HydrophobicContact CB-CB 4.05Å; F110-L116 HydrophobicContact CG-CB 4.45Å; F110-I118 HydrophobicContact CD2-CD1 4.45Å; F110-I118 HydrophobicContact CD2-CG1 4.31Å; F110-I118 HydrophobicContact CE2-CD1 3.95Å; F110-I118 HydrophobicContact CE2-CG1 4Å; F110-I157 HydrophobicContact CE2-CD1 3.37Å; F110-I157 HydrophobicContact CZ-CD1 3.37Å
111	R	69.5	Low	88.4	Confident	197 Å²	197	60.6 Å²	60.6	74%	0.743	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.1	-14.4	-177.1	-82.1	160.8	-164.5	-144.4	8.2	117.8	N107 N108 N109	N107-R111 PolarHBondContact O-NE 2.74Å; N107-R111 PolarHBondContact O-NH2 3.4Å; N108-R111 WeakPolarHBondContact O-CD 3.41Å; N108-R111 WeakPolarHBondContact O-CG 3.03Å; N108-R111 PolarHBondContact O-N 3.16Å; N108-R111 PolarHBondContact O-NE 3.32Å; N109-R111 PolarHBondContact O-N 2.88Å
112	R	68.6	Low	88.6	Confident	208 Å²	208	57.4 Å²	57.4	79%	0.785	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-8.5	178.4	-61.9	-177.6	177.8	177	0.3	113.7	F110	F110-R112 PolarHBondContact O-N 3.42Å
113	N	75.6	Confident	88.7	Confident	38 Å²	38	58 Å²	58	20%	0.203	28%	0.278	C	S	.	.			trans	-141.8	107	175.7	-173.2	-17.2	0	0	0	109.8	F110 N115 L116	F110-N113 PolarHBondContact O-N 3.45Å; N113-N115 PolarHBondContact O-N 2.64Å; N113-N115 VanDerWaalsContact O-N 3.14Å; N113-N115 WeakPolarHBondContact OD1-CB 3.42Å; N113-N115 PolarHBondContact OD1-N 2.86Å; N113-L116 HydrophobicContact CB-CB 4.46Å; N113-L116 HydrophobicContact CB-CD1 4.04Å; N113-L116 HydrophobicContact CB-CG 4.05Å; N113-L116 PolarHBondContact O-N 3.13Å; N113-L116 VanDerWaalsContact O-N 3.09Å
114	E	78.6	Confident	88.6	Confident	174 Å²	174	60.2 Å²	60.2	81%	0.813	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-16.6	-177.9	-61.7	179.5	165.8	0	0	113.4	N117	E114-N117 PolarHBondContact O-ND2 2.96Å
115	N	86.1	Confident	88.7	Confident	53 Å²	53	60.2 Å²	60.2	28%	0.283	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	5.3	178.1	-61	-35.4	0	0	0	112.8	T87 K91 N113	T87-N115 PolarHBondContact O-ND2 3.21Å; K91-N115 WeakPolarHBondContact CA-O 3.49Å; K91-N115 WeakPolarHBondContact CB-O 3.46Å; K91-N115 PolarHBondContact N-O 3.49Å; N113-N115 PolarHBondContact O-N 2.64Å; N113-N115 VanDerWaalsContact O-N 3.14Å; N113-N115 WeakPolarHBondContact OD1-CB 3.42Å; N113-N115 PolarHBondContact OD1-N 2.86Å
116	L	90	Very high	88.8	Confident	44 Å²	44	64.1 Å²	64.1	23%	0.23	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	103	173.8	-61	-177.7	0	0	0	109.4	K91 I93 F110 N113	K91-L116 HydrophobicContact CB-CD2 3.86Å; I93-L116 HydrophobicContact CD1-CB 4.13Å; I93-L116 HydrophobicContact CD1-CD2 4.45Å; F110-L116 HydrophobicContact CB-CB 4.05Å; F110-L116 HydrophobicContact CG-CB 4.45Å; N113-L116 HydrophobicContact CB-CB 4.46Å; N113-L116 HydrophobicContact CB-CD1 4.04Å; N113-L116 HydrophobicContact CB-CG 4.05Å; N113-L116 PolarHBondContact O-N 3.13Å; N113-L116 VanDerWaalsContact O-N 3.09Å
117	N	92.4	Very high	89	Confident	39 Å²	39	70.3 Å²	70.3	21%	0.209	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.5	-175	-65.3	-39.9	0	0	0	110	E90 K91 R92 I93 E114 V119	E90-N117 PolarHBondContact OE1-ND2 3.48Å; K91-N117 PolarHBondContact O-N 3.07Å; R92-N117 CarbonylContact C-O 3.53Å; I93-N117 WeakPolarHBondContact CB-O 3.28Å; I93-N117 PolarHBondContact N-O 3.47Å; E114-N117 PolarHBondContact O-ND2 2.96Å; N117-V119 HydrophobicContact CB-CG1 3.95Å; N117-V119 PolarHBondContact O-N 3.16Å
118	I	95.5	Very high	89.2	Confident	4 Å²	4	67.9 Å²	67.9	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	125.5	158.6	-56.4	173.3	0	0	0	106.2	I93 L95 L106 N109 F110 Y136 I157	I93-I118 HydrophobicContact CB-CG1 4.45Å; I93-I118 HydrophobicContact CG2-CG1 4.43Å; I93-I118 VanDerWaalsContact O-CA 3.32Å; I93-I118 WeakPolarHBondContact O-CA 3.48Å; L95-I118 HydrophobicContact CB-CG2 3.98Å; L106-I118 HydrophobicContact CD2-CB 4.39Å; L106-I118 HydrophobicContact CD2-CD1 4.08Å; L106-I118 HydrophobicContact CD2-CG2 3.69Å; N109-I118 PolarHBondContact OD1-N 2.81Å; F110-I118 HydrophobicContact CD2-CD1 4.45Å; F110-I118 HydrophobicContact CD2-CG1 4.31Å; F110-I118 HydrophobicContact CE2-CD1 3.95Å; F110-I118 HydrophobicContact CE2-CG1 4Å; I118-Y136 VanDerWaalsContact O-CE1 3.23Å; I118-Y136 WeakPolarHBondContact O-CE1 3.43Å; I118-I157 HydrophobicContact CD1-CD1 4.29Å; I118-I157 HydrophobicContact CG1-CD1 4.38Å
119	V	95.3	Very high	89.8	Confident	35 Å²	35	65.5 Å²	65.5	21%	0.212	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	-22.8	-176.3	-59	0	0	0	0	112.9	R92 I93 N117 E151 I153	R92-V119 HydrophobicContact CB-CG1 4.18Å; R92-V119 HydrophobicContact CB-CG2 3.85Å; R92-V119 HydrophobicContact CG-CG1 4.22Å; I93-V119 PolarHBondContact O-N 3.17Å; N117-V119 HydrophobicContact CB-CG1 3.95Å; N117-V119 PolarHBondContact O-N 3.16Å; V119-E151 HydrophobicContact CG2-CB 4.34Å; V119-E151 HydrophobicContact CG2-CG 4.46Å; V119-I153 HydrophobicContact CG2-CD1 3.53Å
120	C	97	Very high	90.7	Very high	3 Å²	3	66.4 Å²	66.4	2%	0.02	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	150.3	176.1	56	0	0	0	0	110.2	A94 L95 F122 V147	A94-C120 WeakPolarHBondContact CA-O 3.43Å; L95-C120 PolarHBondContact N-O 3.38Å; C120-F122 HydrophobicContact CB-CE2 4.16Å; C120-F122 HydrophobicContact CB-CZ 4.23Å; C120-V147 HydrophobicContact CB-CG1 3.73Å
121	A	98.2	Very high	91.5	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.8	-176.6	0	0	0	0	0	110.4	L95 L106 I138 H139	L95-A121 HydrophobicContact CB-CB 4.36Å; L95-A121 CarbonylContact O-C 3.57Å; L95-A121 VanDerWaalsContact O-CA 3.31Å; L95-A121 WeakPolarHBondContact O-CA 3.43Å; L106-A121 HydrophobicContact CD1-CB 4.37Å; L106-A121 HydrophobicContact CD2-CB 4.22Å; A121-I138 HydrophobicContact CB-CD1 3.74Å; A121-H139 PolarHBondContact O-N 3.21Å
122	F	98.4	Very high	92.8	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.6	-173.7	-56.4	-87.3	0	0	0	111.2	A94 L95 G97 C98 C120 H139 M144 V147 L148	A94-F122 HydrophobicContact CB-CD2 4.46Å; A94-F122 HydrophobicContact CB-CE2 3.96Å; L95-F122 PolarHBondContact O-N 3.03Å; G97-F122 PolarHBondContact N-O 3.35Å; C98-F122 PolarHBondContact SG-O 2.61Å; C98-F122 VanDerWaalsContact SG-O 3.38Å; C120-F122 HydrophobicContact CB-CE2 4.16Å; C120-F122 HydrophobicContact CB-CZ 4.23Å; F122-H139 WeakPolarHBondContact CA-O 3.42Å; F122-H139 HydrophobicContact CD1-CB 3.53Å; F122-H139 HydrophobicContact CE1-CB 3.6Å; F122-H139 HydrophobicContact CG-CB 4.49Å; F122-M144 HydrophobicContact CD1-CB 3.89Å; F122-M144 HydrophobicContact CD1-CG 4.06Å; F122-M144 HydrophobicContact CD2-CG 4.29Å; F122-M144 HydrophobicContact CD2-SD 4.2Å; F122-M144 VanDerWaalsContact CE1-CA 3.49Å; F122-M144 HydrophobicContact CE1-CB 3.81Å; F122-M144 HydrophobicContact CE1-CG 3.92Å; F122-M144 HydrophobicContact CE2-CG 4.14Å; F122-M144 HydrophobicContact CG-CB 4.5Å; F122-M144 HydrophobicContact CG-CG 4.25Å; F122-M144 HydrophobicContact CG-SD 4.18Å; F122-M144 HydrophobicContact CZ-CB 4.32Å; F122-M144 HydrophobicContact CZ-CG 3.94Å; F122-V147 HydrophobicContact CE1-CB 3.9Å; F122-V147 HydrophobicContact CE1-CG1 4.08Å; F122-V147 HydrophobicContact CE1-CG2 4.27Å; F122-V147 HydrophobicContact CZ-CB 3.73Å; F122-V147 HydrophobicContact CZ-CG1 3.6Å; F122-L148 HydrophobicContact CE2-CD2 3.96Å; F122-L148 HydrophobicContact CZ-CD2 4.21Å; F122-L148 HydrophobicContact CZ-CG 4.41Å
123	D	97.7	Very high	94.1	Very high	12 Å²	12	58 Å²	58	6%	0.064	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	164.7	170	-153.3	-62.6	0	0	0	109.2	C98 D125 K128 V129 I138 H139 I141	C98-D123 VanDerWaalsContact CA-OD2 3.29Å; C98-D123 WeakPolarHBondContact CA-OD2 3.46Å; C98-D123 HydrophobicContact CB-CB 4.1Å; C98-D123 WeakPolarHBondContact CB-OD2 3.27Å; C98-D123 PolarHBondContact N-OD2 2.95Å; D123-D125 VanDerWaalsContact OD1-CB 3.29Å; D123-D125 WeakPolarHBondContact OD1-CB 3.45Å; D123-D125 PolarHBondContact OD1-N 3.03Å; D123-K128 HydrophobicContact CB-CD 4.37Å; D123-K128 IonicContact OD1-NZ 2.64Å; D123-K128 WeakPolarHBondContact OD2-CD 3.25Å; D123-K128 IonicContact OD2-NZ 3.35Å; D123-K128 PolarHBondContact OD2-NZ 2.88Å; D123-V129 WeakPolarHBondContact O-CG2 3.48Å; D123-I138 HydrophobicContact CB-CG2 3.71Å; D123-H139 PolarHBondContact N-O 3.37Å; D123-H139 VanDerWaalsContact N-O 3.15Å; D123-I141 PolarHBondContact O-N 3.17Å
124	N	95.9	Very high	94.9	Very high	103 Å²	103	58.3 Å²	58.3	55%	0.551	32%	0.315	S	S	*	.			trans	-110.5	-1.5	174.7	71.7	-14	0	0	0	112.8	P126	N124-P126 VanDerWaalsContact O-CD 3.27Å; N124-P126 WeakPolarHBondContact O-CD 3.47Å
125	D	96.8	Very high	95.6	Very high	56 Å²	56	52.5 Å²	52.5	30%	0.299	30%	0.302	S	S	.	.			trans	-72.9	113.9	174.3	-173.7	-9	0	0	0	110.5	D123 E127 K128 V129	D123-D125 VanDerWaalsContact OD1-CB 3.29Å; D123-D125 WeakPolarHBondContact OD1-CB 3.45Å; D123-D125 PolarHBondContact OD1-N 3.03Å; D125-E127 PolarHBondContact O-N 3.3Å; D125-E127 VanDerWaalsContact O-N 3.08Å; D125-E127 WeakPolarHBondContact OD1-CB 3.28Å; D125-E127 PolarHBondContact OD1-N 3.26Å; D125-K128 HydrophobicContact CB-CB 4.37Å; D125-K128 HydrophobicContact CB-CD 4.1Å; D125-K128 HydrophobicContact CB-CG 4.07Å; D125-K128 PolarHBondContact O-N 3.19Å; D125-K128 VanDerWaalsContact OD2-CE 3.28Å; D125-K128 WeakPolarHBondContact OD2-CE 3.49Å; D125-V129 WeakPolarHBondContact O-CG2 3.41Å; D125-V129 PolarHBondContact O-N 3.49Å
126	P	96.6	Very high	96.1	Very high	110 Å²	110	52.1 Å²	52.1	71%	0.714	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.2	178.5	-22.9	34.9	0	0	0	113.4	N124 K128	N124-P126 VanDerWaalsContact O-CD 3.27Å; N124-P126 WeakPolarHBondContact O-CD 3.47Å; P126-K128 PolarHBondContact O-N 2.99Å
127	E	97.3	Very high	96.4	Very high	133 Å²	133	54.5 Å²	54.5	62%	0.621	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-9.3	175.1	-70.7	-60	149	0	0	113.5	D125 K131	D125-E127 PolarHBondContact O-N 3.3Å; D125-E127 VanDerWaalsContact O-N 3.08Å; D125-E127 WeakPolarHBondContact OD1-CB 3.28Å; D125-E127 PolarHBondContact OD1-N 3.26Å; E127-K131 WeakPolarHBondContact O-CD 3.44Å; E127-K131 WeakPolarHBondContact O-CE 3.46Å; E127-K131 PolarHBondContact O-NZ 3.28Å; E127-K131 IonicContact OE2-NZ 3.09Å; E127-K131 PolarHBondContact OE2-NZ 3.21Å; E127-K131 VanDerWaalsContact OE2-NZ 3.09Å
128	K	97.8	Very high	96.7	Very high	37 Å²	37	52.7 Å²	52.7	16%	0.161	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-38.2	176	-59.3	-178.6	-155.2	160.4	0	112.5	C98 D123 D125 P126 G130 K131 L133 I138	C98-K128 HydrophobicContact CB-CD 4.38Å; C98-K128 PolarHBondContact O-NZ 3.5Å; C98-K128 VanDerWaalsContact O-NZ 3.1Å; D123-K128 HydrophobicContact CB-CD 4.37Å; D123-K128 IonicContact OD1-NZ 2.64Å; D123-K128 WeakPolarHBondContact OD2-CD 3.25Å; D123-K128 IonicContact OD2-NZ 3.35Å; D123-K128 PolarHBondContact OD2-NZ 2.88Å; D125-K128 HydrophobicContact CB-CB 4.37Å; D125-K128 HydrophobicContact CB-CD 4.1Å; D125-K128 HydrophobicContact CB-CG 4.07Å; D125-K128 PolarHBondContact O-N 3.19Å; D125-K128 VanDerWaalsContact OD2-CE 3.28Å; D125-K128 WeakPolarHBondContact OD2-CE 3.49Å; P126-K128 PolarHBondContact O-N 2.99Å; K128-G130 PolarHBondContact O-N 2.9Å; K128-K131 VanDerWaalsContact O-CB 3.32Å; K128-K131 WeakPolarHBondContact O-CB 3.38Å; K128-K131 PolarHBondContact O-N 2.86Å; K128-L133 HydrophobicContact CB-CD1 4.21Å; K128-L133 HydrophobicContact CD-CD1 4.06Å; K128-L133 HydrophobicContact CG-CD1 4.14Å; K128-I138 HydrophobicContact CB-CG2 4.29Å
129	V	98.1	Very high	96.8	Very high	39 Å²	39	54.1 Å²	54.1	24%	0.236	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	133.1	-177.7	171.5	0	0	0	0	110.6	D123 D125 K131	D123-V129 WeakPolarHBondContact O-CG2 3.48Å; D125-V129 WeakPolarHBondContact O-CG2 3.41Å; D125-V129 PolarHBondContact O-N 3.49Å; V129-K131 PolarHBondContact O-N 3.12Å
130	G	97.8	Very high	97	Very high	56 Å²	56	53.4 Å²	53.4	58%	0.577	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	-2.3	-177	0	0	0	0	0	115	K128 I138	K128-G130 PolarHBondContact O-N 2.9Å; G130-I138 PolarHBondContact N-O 3.33Å
131	K	97.7	Very high	96.9	Very high	99 Å²	99	55.2 Å²	55.2	43%	0.43	31%	0.312	S	S	.	.	S	Bend	trans	-97.6	157.4	175.2	-56.2	-174.8	-170.2	165.1	0	110.8	E127 K128 V129 I138	E127-K131 WeakPolarHBondContact O-CD 3.44Å; E127-K131 WeakPolarHBondContact O-CE 3.46Å; E127-K131 PolarHBondContact O-NZ 3.28Å; E127-K131 IonicContact OE2-NZ 3.09Å; E127-K131 PolarHBondContact OE2-NZ 3.21Å; E127-K131 VanDerWaalsContact OE2-NZ 3.09Å; K128-K131 VanDerWaalsContact O-CB 3.32Å; K128-K131 WeakPolarHBondContact O-CB 3.38Å; K128-K131 PolarHBondContact O-N 2.86Å; V129-K131 PolarHBondContact O-N 3.12Å; K131-I138 WeakPolarHBondContact O-CG1 3.34Å; K131-I138 PolarHBondContact O-N 3.11Å
132	E	97.1	Very high	96.8	Very high	145 Å²	145	61.7 Å²	61.7	68%	0.678	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	121.2	171.4	-167.8	-174.7	138.5	0	0	109.9	G135 Y136	E132-G135 VanDerWaalsContact OE1-CA 3.28Å; E132-G135 WeakPolarHBondContact OE1-CA 3.36Å; E132-Y136 CarbonylContact C-O 3.59Å; E132-Y136 VanDerWaalsContact CA-O 3.28Å; E132-Y136 WeakPolarHBondContact CA-O 3.49Å
133	L	95.4	Very high	96.8	Very high	38 Å²	38	65.4 Å²	65.4	20%	0.199	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.2	171.5	-58.4	-177.9	0	0	0	109.2	C98 Q103 K128 G135 Y136 I138	C98-L133 HydrophobicContact CB-CD1 4.39Å; Q103-L133 HydrophobicContact CG-CD1 4.45Å; K128-L133 HydrophobicContact CB-CD1 4.21Å; K128-L133 HydrophobicContact CD-CD1 4.06Å; K128-L133 HydrophobicContact CG-CD1 4.14Å; L133-G135 PolarHBondContact O-N 3.26Å; L133-G135 VanDerWaalsContact O-N 3.12Å; L133-Y136 PolarHBondContact N-O 3.03Å; L133-Y136 PolarHBondContact O-N 3.44Å; L133-I138 HydrophobicContact CB-CD1 4.06Å; L133-I138 HydrophobicContact CB-CG1 4.02Å; L133-I138 HydrophobicContact CD1-CD1 4.31Å; L133-I138 HydrophobicContact CD1-CG1 3.78Å; L133-I138 HydrophobicContact CG-CD1 4.32Å; L133-I138 HydrophobicContact CG-CG1 3.74Å
134	C	93.3	Very high	96.8	Very high	44 Å²	44	64.9 Å²	64.9	30%	0.297	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	27.9	177	-49.7	0	0	0	0	114.3	L106 N107 Y136	L106-C134 HydrophobicContact CB-CB 3.81Å; L106-C134 HydrophobicContact CD1-CB 4.43Å; N107-C134 VanDerWaalsContact CG-SG 3.58Å; N107-C134 PolarHBondContact ND2-SG 3.32Å; N107-C134 WeakPolarHBondContact OD1-CB 3.33Å; N107-C134 PolarHBondContact OD1-SG 2.86Å; C134-Y136 HydrophobicContact CB-CD2 4.47Å; C134-Y136 VanDerWaalsContact O-CD2 3.27Å; C134-Y136 WeakPolarHBondContact O-CD2 3.43Å; C134-Y136 WeakPolarHBondContact O-CE2 3.19Å
135	G	93.5	Very high	96.8	Very high	53 Å²	53	63.5 Å²	63.5	55%	0.546	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	2.5	-176.4	0	0	0	0	0	115.2	E132 L133	E132-G135 VanDerWaalsContact OE1-CA 3.28Å; E132-G135 WeakPolarHBondContact OE1-CA 3.36Å; L133-G135 PolarHBondContact O-N 3.26Å; L133-G135 VanDerWaalsContact O-N 3.12Å
136	Y	95.7	Very high	96.9	Very high	45 Å²	45	68 Å²	68	18%	0.176	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131.9	-175.5	-61.9	-90.9	0	0	0	111.2	L106 N109 I118 E132 L133 C134 I138	L106-Y136 HydrophobicContact CB-CD2 4.05Å; L106-Y136 HydrophobicContact CB-CE2 4.1Å; L106-Y136 HydrophobicContact CD1-CD2 4.25Å; L106-Y136 HydrophobicContact CD2-CD1 4.48Å; L106-Y136 HydrophobicContact CD2-CD2 3.78Å; L106-Y136 HydrophobicContact CD2-CE2 4.01Å; L106-Y136 HydrophobicContact CD2-CG 4.03Å; L106-Y136 HydrophobicContact CG-CD2 4.23Å; N109-Y136 VanDerWaalsContact CG-OH 3.31Å; N109-Y136 PolarHBondContact ND2-OH 3.4Å; I118-Y136 VanDerWaalsContact O-CE1 3.23Å; I118-Y136 WeakPolarHBondContact O-CE1 3.43Å; E132-Y136 CarbonylContact C-O 3.59Å; E132-Y136 VanDerWaalsContact CA-O 3.28Å; E132-Y136 WeakPolarHBondContact CA-O 3.49Å; L133-Y136 PolarHBondContact N-O 3.03Å; L133-Y136 PolarHBondContact O-N 3.44Å; C134-Y136 HydrophobicContact CB-CD2 4.47Å; C134-Y136 VanDerWaalsContact O-CD2 3.27Å; C134-Y136 WeakPolarHBondContact O-CD2 3.43Å; C134-Y136 WeakPolarHBondContact O-CE2 3.19Å; Y136-I138 PolarHBondContact O-N 3.39Å
137	L	97.6	Very high	96.9	Very high	93 Å²	93	63.4 Å²	63.4	49%	0.487	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	128.1	166.2	-179.1	64.4	0	0	0	109.1
138	I	98.3	Very high	97	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	112.7	176.1	-53.9	-47.9	0	0	0	109	C98 L106 A121 D123 K128 G130 K131 L133 Y136	C98-I138 HydrophobicContact CB-CD1 4.22Å; L106-I138 HydrophobicContact CD1-CD1 4.47Å; A121-I138 HydrophobicContact CB-CD1 3.74Å; D123-I138 HydrophobicContact CB-CG2 3.71Å; K128-I138 HydrophobicContact CB-CG2 4.29Å; G130-I138 PolarHBondContact N-O 3.33Å; K131-I138 WeakPolarHBondContact O-CG1 3.34Å; K131-I138 PolarHBondContact O-N 3.11Å; L133-I138 HydrophobicContact CB-CD1 4.06Å; L133-I138 HydrophobicContact CB-CG1 4.02Å; L133-I138 HydrophobicContact CD1-CD1 4.31Å; L133-I138 HydrophobicContact CD1-CG1 3.78Å; L133-I138 HydrophobicContact CG-CD1 4.32Å; L133-I138 HydrophobicContact CG-CG1 3.74Å; Y136-I138 PolarHBondContact O-N 3.39Å
139	H	98.4	Very high	96.9	Very high	35 Å²	35	58.5 Å²	58.5	16%	0.162	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	151.6	176.8	-63.5	-86.8	0	0	0	111.1	A121 F122 D123 E143	A121-H139 PolarHBondContact O-N 3.21Å; F122-H139 WeakPolarHBondContact CA-O 3.42Å; F122-H139 HydrophobicContact CD1-CB 3.53Å; F122-H139 HydrophobicContact CE1-CB 3.6Å; F122-H139 HydrophobicContact CG-CB 4.49Å; D123-H139 PolarHBondContact N-O 3.37Å; D123-H139 VanDerWaalsContact N-O 3.15Å; H139-E143 IonicContact ND1-OE2 3.29Å
140	S	97.9	Very high	96.9	Very high	20 Å²	20	63.9 Å²	63.9	14%	0.14	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	150.2	166.6	-174.8	0	0	0	0	110.2	D142 E143	S140-D142 PolarHBondContact O-N 2.98Å; S140-D142 PolarHBondContact OG-N 3.29Å; S140-D142 PolarHBondContact OG-OD2 2.82Å; S140-E143 VanDerWaalsContact CB-OE1 3.23Å; S140-E143 WeakPolarHBondContact CB-OE1 3.31Å; S140-E143 PolarHBondContact N-OE1 2.93Å; S140-E143 PolarHBondContact O-N 3.22Å; S140-E143 VanDerWaalsContact O-N 3.08Å
141	I	96	Very high	96.8	Very high	40 Å²	40	63.6 Å²	63.6	21%	0.205	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-60.9	-24.7	170.9	-142.5	163.7	0	0	0	112.1	D123 E143 M144 A168 Q171	D123-I141 PolarHBondContact O-N 3.17Å; I141-E143 VanDerWaalsContact C-N 3.28Å; I141-E143 PolarHBondContact O-N 3.36Å; I141-M144 HydrophobicContact CG1-CE 3.99Å; I141-M144 HydrophobicContact CG1-SD 4.49Å; I141-M144 WeakPolarHBondContact O-CB 3.4Å; I141-M144 PolarHBondContact O-N 3.18Å; I141-A168 HydrophobicContact CD1-CB 4.31Å; I141-Q171 PolarHBondContact O-NE2 3.04Å; I141-Q171 VanDerWaalsContact O-NE2 3.12Å
142	D	96.6	Very high	96.7	Very high	137 Å²	137	67 Å²	67	73%	0.733	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-71.1	-24.4	177.4	-57.9	-39.8	0	0	0	112.4	S140 M144	S140-D142 PolarHBondContact O-N 2.98Å; S140-D142 PolarHBondContact OG-N 3.29Å; S140-D142 PolarHBondContact OG-OD2 2.82Å; D142-M144 VanDerWaalsContact C-N 3.3Å
143	E	96.9	Very high	96.7	Very high	78 Å²	78	60.3 Å²	60.3	36%	0.364	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-86.4	-3.5	176.9	-63.3	167.9	-105	0	0	112.2	H139 S140 I141 D145 E146 V147	H139-E143 IonicContact ND1-OE2 3.29Å; S140-E143 VanDerWaalsContact CB-OE1 3.23Å; S140-E143 WeakPolarHBondContact CB-OE1 3.31Å; S140-E143 PolarHBondContact N-OE1 2.93Å; S140-E143 PolarHBondContact O-N 3.22Å; S140-E143 VanDerWaalsContact O-N 3.08Å; I141-E143 VanDerWaalsContact C-N 3.28Å; I141-E143 PolarHBondContact O-N 3.36Å; E143-D145 VanDerWaalsContact C-N 3.34Å; E143-D145 PolarHBondContact O-N 3.46Å; E143-E146 PolarHBondContact O-N 3.48Å; E143-V147 HydrophobicContact CB-CG2 4.28Å; E143-V147 WeakPolarHBondContact O-CG2 3.38Å; E143-V147 PolarHBondContact O-N 2.86Å; E143-V147 VanDerWaalsContact O-N 3.08Å
144	M	97.5	Very high	96.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63.2	-37.7	-167.5	-172.7	165.2	59.3	0	0	112.8	I96 F122 I141 D142 E146 L148 Q171 V172	I96-M144 HydrophobicContact CG1-SD 4.33Å; F122-M144 HydrophobicContact CD1-CB 3.89Å; F122-M144 HydrophobicContact CD1-CG 4.06Å; F122-M144 HydrophobicContact CD2-CG 4.29Å; F122-M144 HydrophobicContact CD2-SD 4.2Å; F122-M144 VanDerWaalsContact CE1-CA 3.49Å; F122-M144 HydrophobicContact CE1-CB 3.81Å; F122-M144 HydrophobicContact CE1-CG 3.92Å; F122-M144 HydrophobicContact CE2-CG 4.14Å; F122-M144 HydrophobicContact CG-CB 4.5Å; F122-M144 HydrophobicContact CG-CG 4.25Å; F122-M144 HydrophobicContact CG-SD 4.18Å; F122-M144 HydrophobicContact CZ-CB 4.32Å; F122-M144 HydrophobicContact CZ-CG 3.94Å; I141-M144 HydrophobicContact CG1-CE 3.99Å; I141-M144 HydrophobicContact CG1-SD 4.49Å; I141-M144 WeakPolarHBondContact O-CB 3.4Å; I141-M144 PolarHBondContact O-N 3.18Å; D142-M144 VanDerWaalsContact C-N 3.3Å; M144-E146 PolarHBondContact O-N 3.47Å; M144-L148 HydrophobicContact CG-CD1 3.54Å; M144-L148 HydrophobicContact CG-CD2 4.44Å; M144-L148 HydrophobicContact CG-CG 3.74Å; M144-L148 VanDerWaalsContact O-CB 3.23Å; M144-L148 WeakPolarHBondContact O-CB 3.26Å; M144-L148 WeakPolarHBondContact O-CG 3.2Å; M144-L148 PolarHBondContact O-N 3.05Å; M144-L148 HydrophobicContact SD-CD1 4.29Å; M144-Q171 HydrophobicContact CE-CB 3.59Å; M144-Q171 HydrophobicContact CE-CG 3.48Å; M144-Q171 VanDerWaalsContact CE-CG 3.48Å; M144-V172 HydrophobicContact CE-CG2 3.71Å; M144-V172 HydrophobicContact SD-CG2 3.5Å; M144-V172 WeakPolarHBondContact SD-CG2 3.46Å
145	D	97.3	Very high	96.9	Very high	75 Å²	75	60 Å²	60	40%	0.401	32%	0.32	S	S	.	.	H	α-helix	trans	-61.3	-45.5	179.8	-66	2.9	0	0	0	111.6	E143 A149 Q171 N175	E143-D145 VanDerWaalsContact C-N 3.34Å; E143-D145 PolarHBondContact O-N 3.46Å; D145-A149 WeakPolarHBondContact O-CB 3.13Å; D145-A149 PolarHBondContact O-N 3.32Å; D145-Q171 WeakPolarHBondContact OD1-CG 3.14Å; D145-Q171 PolarHBondContact OD1-NE2 3.49Å; D145-N175 WeakPolarHBondContact CA-OD1 3.11Å; D145-N175 PolarHBondContact O-OD1 2.89Å; D145-N175 PolarHBondContact OD1-ND2 3.43Å
146	E	97.7	Very high	97.1	Very high	151 Å²	151	57.5 Å²	57.5	71%	0.706	29%	0.294	S	S	*	.	H	α-helix	trans	-66.9	-50.3	-179.2	-61.9	-176.5	175	0	0	111.2	E143 M144 A149 E150	E143-E146 PolarHBondContact O-N 3.48Å; M144-E146 PolarHBondContact O-N 3.47Å; E146-A149 PolarHBondContact O-N 3.33Å; E146-E150 WeakPolarHBondContact O-CB 3.35Å; E146-E150 PolarHBondContact O-N 3.44Å
147	V	97.9	Very high	97.2	Very high	13 Å²	13	55.5 Å²	55.5	8%	0.079	29%	0.287	C	S	.	.	H	α-helix	trans	-67	-41	-176.7	177.8	0	0	0	0	111.4	C120 F122 E143 A149 E150 E151	C120-V147 HydrophobicContact CB-CG1 3.73Å; F122-V147 HydrophobicContact CE1-CB 3.9Å; F122-V147 HydrophobicContact CE1-CG1 4.08Å; F122-V147 HydrophobicContact CE1-CG2 4.27Å; F122-V147 HydrophobicContact CZ-CB 3.73Å; F122-V147 HydrophobicContact CZ-CG1 3.6Å; E143-V147 HydrophobicContact CB-CG2 4.28Å; E143-V147 WeakPolarHBondContact O-CG2 3.38Å; E143-V147 PolarHBondContact O-N 2.86Å; E143-V147 VanDerWaalsContact O-N 3.08Å; V147-A149 VanDerWaalsContact C-N 3.31Å; V147-A149 PolarHBondContact O-N 2.92Å; V147-E150 PolarHBondContact O-N 3.19Å; V147-E151 HydrophobicContact CG1-CG 4.24Å; V147-E151 VanDerWaalsContact O-CB 3.23Å; V147-E151 WeakPolarHBondContact O-CB 3.26Å; V147-E151 VanDerWaalsContact O-CG 3.3Å; V147-E151 WeakPolarHBondContact O-CG 3.35Å; V147-E151 PolarHBondContact O-N 2.8Å
148	L	98.1	Very high	97.3	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-63.3	-38.7	177.6	-69.3	-178.1	0	0	0	111.8	A94 F122 M144 K152 I153 V172 N175	A94-L148 HydrophobicContact CB-CD2 3.49Å; A94-L148 VanDerWaalsContact CB-CD2 3.49Å; F122-L148 HydrophobicContact CE2-CD2 3.96Å; F122-L148 HydrophobicContact CZ-CD2 4.21Å; F122-L148 HydrophobicContact CZ-CG 4.41Å; M144-L148 HydrophobicContact CG-CD1 3.54Å; M144-L148 HydrophobicContact CG-CD2 4.44Å; M144-L148 HydrophobicContact CG-CG 3.74Å; M144-L148 VanDerWaalsContact O-CB 3.23Å; M144-L148 WeakPolarHBondContact O-CB 3.26Å; M144-L148 WeakPolarHBondContact O-CG 3.2Å; M144-L148 PolarHBondContact O-N 3.05Å; M144-L148 HydrophobicContact SD-CD1 4.29Å; L148-K152 PolarHBondContact O-N 2.93Å; L148-I153 HydrophobicContact CB-CB 4.39Å; L148-I153 HydrophobicContact CD2-CB 3.69Å; L148-I153 HydrophobicContact CD2-CG1 3.68Å; L148-I153 HydrophobicContact CD2-CG2 3.84Å; L148-I153 PolarHBondContact O-N 3.41Å; L148-V172 HydrophobicContact CD1-CB 4.47Å; L148-V172 HydrophobicContact CD1-CG2 4.16Å; L148-N175 HydrophobicContact CB-CB 4.1Å; L148-N175 HydrophobicContact CD1-CB 3.82Å
149	A	96.5	Very high	97.2	Very high	65 Å²	65	52.1 Å²	52.1	54%	0.537	27%	0.27	S	S	.	.	H	α-helix	trans	-69.6	-46.6	178.4	0	0	0	0	0	112	D145 E146 V147 E151 K152	D145-A149 WeakPolarHBondContact O-CB 3.13Å; D145-A149 PolarHBondContact O-N 3.32Å; E146-A149 PolarHBondContact O-N 3.33Å; V147-A149 VanDerWaalsContact C-N 3.31Å; V147-A149 PolarHBondContact O-N 2.92Å; A149-E151 VanDerWaalsContact C-N 3.29Å; A149-E151 PolarHBondContact O-N 3.47Å; A149-K152 PolarHBondContact O-N 3.43Å
150	E	97.1	Very high	97.1	Very high	153 Å²	153	51.4 Å²	51.4	72%	0.715	27%	0.268	S	S	*	.	H	α-helix	trans	-57.3	-45.9	176.1	-178.7	172.9	-174.6	0	0	111	E146 V147 K152	E146-E150 WeakPolarHBondContact O-CB 3.35Å; E146-E150 PolarHBondContact O-N 3.44Å; V147-E150 PolarHBondContact O-N 3.19Å; E150-K152 VanDerWaalsContact C-N 3.26Å; E150-K152 PolarHBondContact O-N 3.05Å
151	E	96.1	Very high	96.8	Very high	50 Å²	50	54 Å²	54	23%	0.234	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-1.2	-176.8	-66.5	-64.1	177.5	0	0	114.3	R92 V119 V147 A149 I153	R92-E151 VanDerWaalsContact CD-O 3.31Å; R92-E151 WeakPolarHBondContact CD-O 3.27Å; R92-E151 IonicContact CZ-OE2 3.13Å; R92-E151 PolarHBondContact NE-O 3.41Å; R92-E151 IonicContact NE-OE2 3.35Å; R92-E151 PolarHBondContact NE-OE2 3.5Å; R92-E151 IonicContact NH2-OE1 2.82Å; R92-E151 IonicContact NH2-OE2 3.58Å; R92-E151 PolarHBondContact NH2-OE2 3.25Å; V119-E151 HydrophobicContact CG2-CB 4.34Å; V119-E151 HydrophobicContact CG2-CG 4.46Å; V147-E151 HydrophobicContact CG1-CG 4.24Å; V147-E151 VanDerWaalsContact O-CB 3.23Å; V147-E151 WeakPolarHBondContact O-CB 3.26Å; V147-E151 VanDerWaalsContact O-CG 3.3Å; V147-E151 WeakPolarHBondContact O-CG 3.35Å; V147-E151 PolarHBondContact O-N 2.8Å; A149-E151 VanDerWaalsContact C-N 3.29Å; A149-E151 PolarHBondContact O-N 3.47Å; E151-I153 HydrophobicContact CB-CD1 3.63Å; E151-I153 HydrophobicContact CB-CG1 3.69Å; E151-I153 PolarHBondContact O-N 2.88Å
152	K	95.2	Very high	96.6	Very high	170 Å²	170	53.6 Å²	53.6	74%	0.739	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	42.6	-179.3	-57.6	176.7	-176	173.1	0	112.1	L148 A149 E150 T154	L148-K152 PolarHBondContact O-N 2.93Å; A149-K152 PolarHBondContact O-N 3.43Å; E150-K152 VanDerWaalsContact C-N 3.26Å; E150-K152 PolarHBondContact O-N 3.05Å; K152-T154 PolarHBondContact O-N 3.33Å
153	I	97.6	Very high	96.3	Very high	5 Å²	5	55 Å²	55	3%	0.026	29%	0.287	C	S	.	.			trans	-69.4	133.9	-175.2	-57.5	-59.4	0	0	0	110.1	R92 A94 V119 L148 E151 V155 V177	R92-I153 HydrophobicContact CB-CD1 3.73Å; A94-I153 HydrophobicContact CB-CG1 4.43Å; A94-I153 HydrophobicContact CB-CG2 3.82Å; V119-I153 HydrophobicContact CG2-CD1 3.53Å; L148-I153 HydrophobicContact CB-CB 4.39Å; L148-I153 HydrophobicContact CD2-CB 3.69Å; L148-I153 HydrophobicContact CD2-CG1 3.68Å; L148-I153 HydrophobicContact CD2-CG2 3.84Å; L148-I153 PolarHBondContact O-N 3.41Å; E151-I153 HydrophobicContact CB-CD1 3.63Å; E151-I153 HydrophobicContact CB-CG1 3.69Å; E151-I153 PolarHBondContact O-N 2.88Å; I153-V155 WeakPolarHBondContact CG2-O 3.43Å; I153-V177 HydrophobicContact CB-CG2 4.47Å; I153-V177 HydrophobicContact CG2-CG2 3.89Å
154	T	96.2	Very high	96.1	Very high	47 Å²	47	54.7 Å²	54.7	29%	0.288	29%	0.288	S	S	.	.			trans	-129.3	-4.8	175.8	45.1	0	0	0	0	112.7	K91 K152 T178 A179	K91-T154 VanDerWaalsContact CE-OG1 3.28Å; K91-T154 WeakPolarHBondContact CE-OG1 3.24Å; K91-T154 PolarHBondContact NZ-OG1 3.41Å; K152-T154 PolarHBondContact O-N 3.33Å; T154-T178 PolarHBondContact O-N 2.65Å; T154-T178 VanDerWaalsContact O-N 3.16Å; T154-A179 PolarHBondContact O-N 2.78Å
155	V	97.3	Very high	95.9	Very high	29 Å²	29	54.8 Å²	54.8	18%	0.176	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135.3	176.5	174.6	0	0	0	0	109.4	K91 I93 A94 I153 A179	K91-V155 HydrophobicContact CD-CG2 4.15Å; K91-V155 HydrophobicContact CG-CB 4.49Å; K91-V155 HydrophobicContact CG-CG2 3.94Å; I93-V155 WeakPolarHBondContact CA-O 3.47Å; I93-V155 HydrophobicContact CG1-CB 4.19Å; I93-V155 HydrophobicContact CG1-CG1 4.01Å; I93-V155 HydrophobicContact CG2-CG1 4.16Å; A94-V155 PolarHBondContact N-O 3.05Å; A94-V155 VanDerWaalsContact N-O 3.09Å; I153-V155 WeakPolarHBondContact CG2-O 3.43Å; V155-A179 CarbonylContact C-O 3.6Å; V155-A179 VanDerWaalsContact CA-O 3.23Å; V155-A179 WeakPolarHBondContact CA-O 3.47Å; V155-A179 HydrophobicContact CG2-CB 3.88Å
156	A	98.1	Very high	95.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152.1	173.8	0	0	0	0	0	112.1	A94 I96 V172 V177 A179 I180 L181	A94-A156 CarbonylContact O-C 3.53Å; A94-A156 VanDerWaalsContact O-CA 3.31Å; A94-A156 WeakPolarHBondContact O-CA 3.37Å; I96-A156 HydrophobicContact CD1-CB 4.02Å; A156-V172 HydrophobicContact CB-CG1 3.61Å; A156-V177 HydrophobicContact CB-CG1 3.91Å; A156-A179 PolarHBondContact N-O 2.9Å; A156-I180 CarbonylContact O-C 3.56Å; A156-I180 WeakPolarHBondContact O-CA 3.47Å; A156-L181 PolarHBondContact O-N 3.48Å
157	I	98	Very high	95.7	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.015	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.1	167.8	-59.8	162.4	0	0	0	107.4	I93 A94 L95 I96 L105 F110 I118 T159 L181 F183	I93-I157 HydrophobicContact CG2-CD1 3.64Å; I93-I157 HydrophobicContact CG2-CG1 3.76Å; A94-I157 PolarHBondContact O-N 3.43Å; L95-I157 HydrophobicContact CD1-CB 3.83Å; L95-I157 HydrophobicContact CD1-CG2 3.71Å; I96-I157 PolarHBondContact N-O 3.38Å; L105-I157 HydrophobicContact CD1-CG2 3.87Å; F110-I157 HydrophobicContact CE2-CD1 3.37Å; F110-I157 HydrophobicContact CZ-CD1 3.37Å; I118-I157 HydrophobicContact CD1-CD1 4.29Å; I118-I157 HydrophobicContact CG1-CD1 4.38Å; I157-T159 HydrophobicContact CG2-CG2 4.13Å; I157-L181 CarbonylContact C-O 3.57Å; I157-L181 WeakPolarHBondContact CA-O 3.47Å; I157-L181 HydrophobicContact CG1-CB 4.13Å; I157-L181 HydrophobicContact CG1-CD2 4.35Å; I157-F183 HydrophobicContact CG2-CD2 4.1Å; I157-F183 HydrophobicContact CG2-CE2 3.84Å
158	S	97.9	Very high	95.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.2	176.3	165.8	0	0	0	0	109.8	L181 N182 F183	S158-L181 PolarHBondContact N-O 2.95Å; S158-N182 WeakPolarHBondContact CB-OD1 3.41Å; S158-N182 PolarHBondContact OG-OD1 3.41Å; S158-F183 PolarHBondContact O-N 3.33Å
159	T	97.1	Very high	95.6	Very high	23 Å²	23	49.3 Å²	49.3	14%	0.141	27%	0.272	C	S	.	.			trans	-119.7	15.1	171.7	72.7	0	0	0	0	112.4	L95 I96 G97 L101 L105 I157 F183	L95-T159 HydrophobicContact CD1-CG2 4.06Å; I96-T159 PolarHBondContact O-N 2.8Å; I96-T159 PolarHBondContact O-OG1 3.43Å; G97-T159 PolarHBondContact O-OG1 2.88Å; L101-T159 HydrophobicContact CD2-CG2 4.01Å; L101-T159 HydrophobicContact CG-CG2 3.96Å; L105-T159 HydrophobicContact CD1-CG2 3.7Å; I157-T159 HydrophobicContact CG2-CG2 4.13Å; T159-F183 HydrophobicContact CG2-CD2 3.92Å; T159-F183 HydrophobicContact CG2-CE2 4.49Å; T159-F183 HydrophobicContact CG2-CG 4.4Å
160	V	95.7	Very high	95.6	Very high	20 Å²	20	50.2 Å²	50.2	12%	0.121	27%	0.268	C	S	.	.	S	Bend	trans	-72.1	153.9	175.9	-59.5	0	0	0	0	111.1	I96 A165	I96-V160 HydrophobicContact CG2-CG1 3.87Å; V160-A165 HydrophobicContact CG2-CB 3.91Å
161	P	92.7	Very high	95.6	Very high	74 Å²	74	45.3 Å²	45.3	48%	0.481	25%	0.245	S	C	.	.			trans	-58.8	148.4	172.8	-22.6	33.8	0	0	0	112.1	Q163 N164 A165	P161-Q163 HydrophobicContact CB-CG 4.28Å; P161-Q163 PolarHBondContact O-N 3.38Å; P161-Q163 VanDerWaalsContact O-N 3.09Å; P161-N164 PolarHBondContact O-N 2.79Å; P161-A165 PolarHBondContact O-N 3.15Å; P161-A165 VanDerWaalsContact O-N 3.15Å
162	S	90.1	Very high	95.7	Very high	32 Å²	32	42.9 Å²	42.9	22%	0.224	23%	0.234	C	C	.	.	H	α-helix	trans	-50.1	-41.2	-176	-56.6	0	0	0	0	114.3	N164 A165 P185 D186	S162-N164 PolarHBondContact O-N 3.02Å; S162-N164 VanDerWaalsContact O-N 3.12Å; S162-A165 WeakPolarHBondContact O-CB 3.44Å; S162-A165 PolarHBondContact O-N 3.02Å; S162-P185 WeakPolarHBondContact OG-CD 3.39Å; S162-D186 WeakPolarHBondContact CB-OD2 3.23Å; S162-D186 PolarHBondContact OG-OD2 2.84Å
163	Q	92.1	Very high	95.8	Very high	167 Å²	167	36.1 Å²	36.1	78%	0.78	21%	0.206	S	C	*	.	H	α-helix	trans	-59.2	-24.4	-179.4	69.5	-152.1	19.8	0	0	114.1	P161	P161-Q163 HydrophobicContact CB-CG 4.28Å; P161-Q163 PolarHBondContact O-N 3.38Å; P161-Q163 VanDerWaalsContact O-N 3.09Å
164	N	91.2	Very high	95.8	Very high	71 Å²	71	40 Å²	40	38%	0.38	24%	0.239	S	C	.	.	H	α-helix	trans	-106.9	-10.3	178.7	-63.1	-16.4	0	0	0	112.3	P161 S162 Q166 A168	P161-N164 PolarHBondContact O-N 2.79Å; S162-N164 PolarHBondContact O-N 3.02Å; S162-N164 VanDerWaalsContact O-N 3.12Å; N164-Q166 PolarHBondContact O-N 3.11Å; N164-A168 PolarHBondContact O-N 3.3Å
165	A	93.8	Very high	95.8	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.017	24%	0.237	C	C	.	.	H	α-helix	trans	-64.7	-42.7	-171.3	0	0	0	0	0	112.4	V160 P161 S162 A167 A168 I169 A184 L188	V160-A165 HydrophobicContact CG2-CB 3.91Å; P161-A165 PolarHBondContact O-N 3.15Å; P161-A165 VanDerWaalsContact O-N 3.15Å; S162-A165 WeakPolarHBondContact O-CB 3.44Å; S162-A165 PolarHBondContact O-N 3.02Å; A165-A167 PolarHBondContact O-N 2.71Å; A165-A168 PolarHBondContact O-N 3.46Å; A165-I169 VanDerWaalsContact O-CB 3.31Å; A165-I169 WeakPolarHBondContact O-CB 3.49Å; A165-I169 WeakPolarHBondContact O-CG1 3.48Å; A165-I169 PolarHBondContact O-N 3.13Å; A165-A184 HydrophobicContact CB-CB 4.27Å; A165-L188 HydrophobicContact CB-CD2 3.92Å
166	Q	96.6	Very high	95.7	Very high	52 Å²	52	40.5 Å²	40.5	24%	0.243	25%	0.25	C	C	.	.	H	α-helix	trans	-60.2	-49.8	-178.3	-174.1	66.2	63	0	0	112.2	N164 A168 I169 D170 L188 K189	N164-Q166 PolarHBondContact O-N 3.11Å; Q166-A168 PolarHBondContact O-N 2.89Å; Q166-I169 PolarHBondContact O-N 2.73Å; Q166-D170 PolarHBondContact NE2-OD1 2.67Å; Q166-D170 PolarHBondContact O-N 2.74Å; Q166-L188 HydrophobicContact CB-CD2 4.33Å; Q166-K189 PolarHBondContact NE2-O 3.03Å
167	A	95.2	Very high	95.7	Very high	68 Å²	68	40.6 Å²	40.6	56%	0.562	25%	0.25	S	C	*	.	H	α-helix	trans	-61.7	-44.8	-178.1	0	0	0	0	0	112.1	A165 I169 D170 Q171	A165-A167 PolarHBondContact O-N 2.71Å; A167-I169 VanDerWaalsContact C-N 3.34Å; A167-I169 PolarHBondContact O-N 3.43Å; A167-D170 PolarHBondContact O-N 3.41Å; A167-Q171 PolarHBondContact O-N 3.44Å
168	A	95.8	Very high	95.7	Very high	5 Å²	5	43 Å²	43	4%	0.041	27%	0.265	C	S	.	.	H	α-helix	trans	-64.6	-39.8	177.7	0	0	0	0	0	112.1	I96 I141 N164 A165 Q166 Q171 V172	I96-A168 HydrophobicContact CG2-CB 4.06Å; I141-A168 HydrophobicContact CD1-CB 4.31Å; N164-A168 PolarHBondContact O-N 3.3Å; A165-A168 PolarHBondContact O-N 3.46Å; Q166-A168 PolarHBondContact O-N 2.89Å; A168-Q171 PolarHBondContact O-N 2.64Å; A168-V172 WeakPolarHBondContact O-CB 3.37Å; A168-V172 WeakPolarHBondContact O-CG2 3.35Å; A168-V172 PolarHBondContact O-N 3.1Å; A168-V172 VanDerWaalsContact O-N 3.09Å
169	I	97.3	Very high	95.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-70.3	-37.4	178.2	-69.1	-49.8	0	0	0	112.2	I96 A165 Q166 A167 Q171 V172 V173 I180 L188 V190	I96-I169 HydrophobicContact CD1-CD1 4.21Å; A165-I169 VanDerWaalsContact O-CB 3.31Å; A165-I169 WeakPolarHBondContact O-CB 3.49Å; A165-I169 WeakPolarHBondContact O-CG1 3.48Å; A165-I169 PolarHBondContact O-N 3.13Å; Q166-I169 PolarHBondContact O-N 2.73Å; A167-I169 VanDerWaalsContact C-N 3.34Å; A167-I169 PolarHBondContact O-N 3.43Å; I169-Q171 VanDerWaalsContact C-N 3.3Å; I169-Q171 PolarHBondContact O-N 3.44Å; I169-V172 PolarHBondContact O-N 2.97Å; I169-V173 HydrophobicContact CG2-CG2 4.08Å; I169-V173 WeakPolarHBondContact O-CB 3.49Å; I169-V173 VanDerWaalsContact O-CG2 3.26Å; I169-V173 WeakPolarHBondContact O-CG2 3.29Å; I169-V173 PolarHBondContact O-N 3.25Å; I169-I180 HydrophobicContact CD1-CD1 4.14Å; I169-I180 HydrophobicContact CD1-CG2 3.71Å; I169-I180 HydrophobicContact CG2-CD1 3.66Å; I169-L188 HydrophobicContact CB-CD1 4.39Å; I169-L188 HydrophobicContact CB-CD2 4.24Å; I169-L188 HydrophobicContact CG1-CD1 3.76Å; I169-L188 HydrophobicContact CG1-CD2 4.09Å; I169-L188 HydrophobicContact CG2-CD1 4.27Å; I169-V190 HydrophobicContact CG2-CG1 3.83Å
170	D	97.4	Very high	95.7	Very high	84 Å²	84	43.8 Å²	43.8	45%	0.449	27%	0.273	S	S	.	.	H	α-helix	trans	-58.4	-45.3	175.3	-71.6	-21.7	0	0	0	110.9	Q166 A167 V173 A174	Q166-D170 PolarHBondContact NE2-OD1 2.67Å; Q166-D170 PolarHBondContact O-N 2.74Å; A167-D170 PolarHBondContact O-N 3.41Å; D170-V173 PolarHBondContact O-N 3.2Å; D170-A174 WeakPolarHBondContact O-CB 3.41Å; D170-A174 PolarHBondContact O-N 3.44Å
171	Q	96.8	Very high	95.7	Very high	49 Å²	49	44.6 Å²	44.6	23%	0.229	28%	0.277	C	S	.	.	H	α-helix	trans	-64.3	-44.2	177.9	-169.3	179.9	-3.2	0	0	111.8	I141 M144 D145 A167 A168 I169 V173 A174 N175	I141-Q171 PolarHBondContact O-NE2 3.04Å; I141-Q171 VanDerWaalsContact O-NE2 3.12Å; M144-Q171 HydrophobicContact CE-CB 3.59Å; M144-Q171 HydrophobicContact CE-CG 3.48Å; M144-Q171 VanDerWaalsContact CE-CG 3.48Å; D145-Q171 WeakPolarHBondContact OD1-CG 3.14Å; D145-Q171 PolarHBondContact OD1-NE2 3.49Å; A167-Q171 PolarHBondContact O-N 3.44Å; A168-Q171 PolarHBondContact O-N 2.64Å; I169-Q171 VanDerWaalsContact C-N 3.3Å; I169-Q171 PolarHBondContact O-N 3.44Å; Q171-V173 PolarHBondContact O-N 3.33Å; Q171-A174 WeakPolarHBondContact O-CB 3.34Å; Q171-A174 PolarHBondContact O-N 3.14Å; Q171-N175 PolarHBondContact O-N 2.97Å; Q171-N175 PolarHBondContact O-ND2 3.43Å
172	V	97	Very high	95.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.3	-41.7	178.2	167.8	0	0	0	0	111.8	I96 M144 L148 A156 A168 I169 N175 V177	I96-V172 HydrophobicContact CD1-CB 4.37Å; I96-V172 HydrophobicContact CD1-CG1 4.4Å; I96-V172 HydrophobicContact CD1-CG2 3.39Å; I96-V172 HydrophobicContact CG1-CG2 4.19Å; M144-V172 HydrophobicContact CE-CG2 3.71Å; M144-V172 HydrophobicContact SD-CG2 3.5Å; M144-V172 WeakPolarHBondContact SD-CG2 3.46Å; L148-V172 HydrophobicContact CD1-CB 4.47Å; L148-V172 HydrophobicContact CD1-CG2 4.16Å; A156-V172 HydrophobicContact CB-CG1 3.61Å; A168-V172 WeakPolarHBondContact O-CB 3.37Å; A168-V172 WeakPolarHBondContact O-CG2 3.35Å; A168-V172 PolarHBondContact O-N 3.1Å; A168-V172 VanDerWaalsContact O-N 3.09Å; I169-V172 PolarHBondContact O-N 2.97Å; V172-N175 PolarHBondContact O-N 3.24Å; V172-V177 HydrophobicContact CG1-CB 3.43Å; V172-V177 VanDerWaalsContact CG1-CB 3.43Å; V172-V177 HydrophobicContact CG1-CG1 3.57Å; V172-V177 HydrophobicContact CG1-CG2 3.56Å; V172-V177 VanDerWaalsContact O-CB 3.31Å; V172-V177 WeakPolarHBondContact O-CB 3.29Å; V172-V177 WeakPolarHBondContact O-CG2 3.21Å; V172-V177 PolarHBondContact O-N 2.77Å
173	V	97.9	Very high	96.1	Very high	27 Å²	27	41.4 Å²	41.4	16%	0.164	25%	0.251	C	S	.	.	H	α-helix	trans	-66.5	-39.5	176	168.1	0	0	0	0	111.6	I169 D170 Q171 N175 G176 I180 P191 V194	I169-V173 HydrophobicContact CG2-CG2 4.08Å; I169-V173 WeakPolarHBondContact O-CB 3.49Å; I169-V173 VanDerWaalsContact O-CG2 3.26Å; I169-V173 WeakPolarHBondContact O-CG2 3.29Å; I169-V173 PolarHBondContact O-N 3.25Å; D170-V173 PolarHBondContact O-N 3.2Å; Q171-V173 PolarHBondContact O-N 3.33Å; V173-N175 PolarHBondContact O-N 3.18Å; V173-G176 PolarHBondContact O-N 2.98Å; V173-I180 HydrophobicContact CG2-CD1 3.86Å; V173-P191 HydrophobicContact CG1-CG 4.04Å; V173-V194 HydrophobicContact CG1-CG2 3.83Å; V173-V194 HydrophobicContact CG2-CG1 3.95Å; V173-V194 HydrophobicContact CG2-CG2 4.05Å
174	A	96.7	Very high	96	Very high	86 Å²	86	33.7 Å²	33.7	71%	0.711	22%	0.216	S	C	*	.	H	α-helix	trans	-59.3	-29.3	176	0	0	0	0	0	112.5	D170 Q171 G176	D170-A174 WeakPolarHBondContact O-CB 3.41Å; D170-A174 PolarHBondContact O-N 3.44Å; Q171-A174 WeakPolarHBondContact O-CB 3.34Å; Q171-A174 PolarHBondContact O-N 3.14Å; A174-G176 VanDerWaalsContact C-N 3.3Å; A174-G176 PolarHBondContact O-N 2.82Å
175	N	96.5	Very high	95.7	Very high	45 Å²	45	33.8 Å²	33.8	24%	0.241	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	14.1	176.1	-71.5	-76.9	0	0	0	114.1	D145 L148 Q171 V172 V173	D145-N175 WeakPolarHBondContact CA-OD1 3.11Å; D145-N175 PolarHBondContact O-OD1 2.89Å; D145-N175 PolarHBondContact OD1-ND2 3.43Å; L148-N175 HydrophobicContact CB-CB 4.1Å; L148-N175 HydrophobicContact CD1-CB 3.82Å; Q171-N175 PolarHBondContact O-N 2.97Å; Q171-N175 PolarHBondContact O-ND2 3.43Å; V172-N175 PolarHBondContact O-N 3.24Å; V173-N175 PolarHBondContact O-N 3.18Å
176	G	95.6	Very high	95.5	Very high	43 Å²	43	37.9 Å²	37.9	44%	0.443	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	8.6	171.9	0	0	0	0	0	115.3	V173 A174 T178	V173-G176 PolarHBondContact O-N 2.98Å; A174-G176 VanDerWaalsContact C-N 3.3Å; A174-G176 PolarHBondContact O-N 2.82Å; G176-T178 PolarHBondContact O-N 3.17Å
177	V	98.2	Very high	95.3	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	27%	0.266	C	S	.	.			trans	-69.5	127	170.9	175.1	0	0	0	0	110.2	I153 A156 V172 I180	I153-V177 HydrophobicContact CB-CG2 4.47Å; I153-V177 HydrophobicContact CG2-CG2 3.89Å; A156-V177 HydrophobicContact CB-CG1 3.91Å; V172-V177 HydrophobicContact CG1-CB 3.43Å; V172-V177 VanDerWaalsContact CG1-CB 3.43Å; V172-V177 HydrophobicContact CG1-CG1 3.57Å; V172-V177 HydrophobicContact CG1-CG2 3.56Å; V172-V177 VanDerWaalsContact O-CB 3.31Å; V172-V177 WeakPolarHBondContact O-CB 3.29Å; V172-V177 WeakPolarHBondContact O-CG2 3.21Å; V172-V177 PolarHBondContact O-N 2.77Å; V177-I180 HydrophobicContact CG1-CG1 4.03Å
178	T	97.4	Very high	95.3	Very high	54 Å²	54	38.6 Å²	38.6	33%	0.331	24%	0.244	S	C	.	.			trans	-118.3	-7.7	-174.7	50.5	0	0	0	0	113.4	T154 G176 V194 H195	T154-T178 PolarHBondContact O-N 2.65Å; T154-T178 VanDerWaalsContact O-N 3.16Å; G176-T178 PolarHBondContact O-N 3.17Å; T178-V194 CarbonylContact O-C 3.59Å; T178-V194 WeakPolarHBondContact O-CA 3.25Å; T178-H195 PolarHBondContact O-N 2.81Å
179	A	97	Very high	95.3	Very high	34 Å²	34	46.6 Å²	46.6	28%	0.281	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	125.2	178.1	0	0	0	0	0	110.7	T154 V155 A156 H195	T154-A179 PolarHBondContact O-N 2.78Å; V155-A179 CarbonylContact C-O 3.6Å; V155-A179 VanDerWaalsContact CA-O 3.23Å; V155-A179 WeakPolarHBondContact CA-O 3.47Å; V155-A179 HydrophobicContact CG2-CB 3.88Å; A156-A179 PolarHBondContact N-O 2.9Å; A179-H195 WeakPolarHBondContact CA-O 3.03Å
180	I	97.9	Very high	95.3	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	127.4	-171.6	-59.7	164.9	0	0	0	109.3	A156 I169 V173 V177 N182 V194 H195 V196 H197	A156-I180 CarbonylContact O-C 3.56Å; A156-I180 WeakPolarHBondContact O-CA 3.47Å; I169-I180 HydrophobicContact CD1-CD1 4.14Å; I169-I180 HydrophobicContact CD1-CG2 3.71Å; I169-I180 HydrophobicContact CG2-CD1 3.66Å; V173-I180 HydrophobicContact CG2-CD1 3.86Å; V177-I180 HydrophobicContact CG1-CG1 4.03Å; I180-N182 HydrophobicContact CG2-CB 4.34Å; I180-V194 HydrophobicContact CD1-CG1 3.71Å; I180-V194 HydrophobicContact CG1-CG1 4.43Å; I180-H195 PolarHBondContact N-O 2.9Å; I180-V196 HydrophobicContact CB-CG1 4.42Å; I180-V196 HydrophobicContact CB-CG2 4.32Å; I180-V196 HydrophobicContact CD1-CG2 4.3Å; I180-V196 HydrophobicContact CG2-CG1 4.37Å; I180-V196 CarbonylContact O-C 3.51Å; I180-V196 WeakPolarHBondContact O-CA 3.39Å; I180-H197 PolarHBondContact O-N 3.45Å
181	L	96.3	Very high	95.3	Very high	37 Å²	37	47.8 Å²	47.8	19%	0.194	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	107.1	166.6	-174	64.4	0	0	0	108.9	A156 I157 S158 F183 H197 I199	A156-L181 PolarHBondContact O-N 3.48Å; I157-L181 CarbonylContact C-O 3.57Å; I157-L181 WeakPolarHBondContact CA-O 3.47Å; I157-L181 HydrophobicContact CG1-CB 4.13Å; I157-L181 HydrophobicContact CG1-CD2 4.35Å; S158-L181 PolarHBondContact N-O 2.95Å; L181-F183 HydrophobicContact CD2-CE2 3.81Å; L181-F183 HydrophobicContact CD2-CZ 4.21Å; L181-F183 HydrophobicContact CG-CE2 3.93Å; L181-H197 CarbonylContact C-O 3.4Å; L181-H197 HydrophobicContact CD1-CB 3.95Å; L181-I199 HydrophobicContact CD1-CD1 3.62Å; L181-I199 HydrophobicContact CD1-CG1 3.89Å; L181-I199 HydrophobicContact CD2-CD1 4.14Å; L181-I199 HydrophobicContact CG-CD1 4.13Å
182	N	96.4	Very high	95.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.6	-174.9	-171.3	46.6	0	0	0	111.1	S158 I180 A184 L188 V196 H197 Y198 I199	S158-N182 WeakPolarHBondContact CB-OD1 3.41Å; S158-N182 PolarHBondContact OG-OD1 3.41Å; I180-N182 HydrophobicContact CG2-CB 4.34Å; N182-A184 PolarHBondContact ND2-O 3.35Å; N182-L188 HydrophobicContact CB-CD1 4.11Å; N182-L188 WeakPolarHBondContact ND2-CD1 3.49Å; N182-V196 HydrophobicContact CB-CG1 3.91Å; N182-H197 PolarHBondContact N-O 3.41Å; N182-Y198 HydrophobicContact CB-CD1 4.2Å; N182-Y198 HydrophobicContact CB-CE1 4.37Å; N182-Y198 WeakPolarHBondContact ND2-CE1 3.4Å; N182-Y198 CarbonylContact O-C 3.57Å; N182-Y198 WeakPolarHBondContact O-CA 3.47Å; N182-I199 PolarHBondContact O-N 3.11Å
183	F	95.1	Very high	95.1	Very high	38 Å²	38	58.5 Å²	58.5	17%	0.167	35%	0.348	C	S	.	.			trans	-95.6	-1.1	177	-75.2	-95.8	0	0	0	113.5	L101 L105 I157 S158 T159 L181 I199	L101-F183 HydrophobicContact CD2-CB 3.73Å; L101-F183 HydrophobicContact CD2-CD1 3.68Å; L101-F183 HydrophobicContact CD2-CD2 4.47Å; L101-F183 HydrophobicContact CD2-CE1 4.35Å; L101-F183 HydrophobicContact CD2-CG 3.72Å; L105-F183 HydrophobicContact CD1-CD2 4.42Å; L105-F183 HydrophobicContact CD1-CE2 3.75Å; L105-F183 HydrophobicContact CD1-CZ 4.04Å; L105-F183 HydrophobicContact CD2-CZ 4.44Å; I157-F183 HydrophobicContact CG2-CD2 4.1Å; I157-F183 HydrophobicContact CG2-CE2 3.84Å; S158-F183 PolarHBondContact O-N 3.33Å; T159-F183 HydrophobicContact CG2-CD2 3.92Å; T159-F183 HydrophobicContact CG2-CE2 4.49Å; T159-F183 HydrophobicContact CG2-CG 4.4Å; L181-F183 HydrophobicContact CD2-CE2 3.81Å; L181-F183 HydrophobicContact CD2-CZ 4.21Å; L181-F183 HydrophobicContact CG-CE2 3.93Å; F183-I199 HydrophobicContact CD1-CB 3.82Å; F183-I199 HydrophobicContact CD1-CG2 3.84Å; F183-I199 HydrophobicContact CE1-CB 3.88Å; F183-I199 HydrophobicContact CE1-CD1 3.77Å; F183-I199 HydrophobicContact CE1-CG1 4.41Å; F183-I199 HydrophobicContact CE1-CG2 3.71Å; F183-I199 HydrophobicContact CE2-CD1 4.3Å; F183-I199 HydrophobicContact CG-CB 4.41Å; F183-I199 HydrophobicContact CZ-CB 4.49Å; F183-I199 HydrophobicContact CZ-CD1 3.66Å
184	A	90.3	Very high	95.1	Very high	6 Å²	6	57.7 Å²	57.7	5%	0.05	34%	0.343	C	S	.	.	S	Bend	trans	-82.2	139.5	169.7	0	0	0	0	0	110.7	A165 N182 D186	A165-A184 HydrophobicContact CB-CB 4.27Å; N182-A184 PolarHBondContact ND2-O 3.35Å; A184-D186 VanDerWaalsContact C-N 3.33Å; A184-D186 PolarHBondContact O-N 3.23Å
185	P	84.5	Confident	95	Very high	73 Å²	73	59.9 Å²	59.9	47%	0.474	34%	0.339	S	S	.	.	S	Bend	trans	-71.6	-26.2	-177.3	27.9	-36.4	0	0	0	113.5	S162	S162-P185 WeakPolarHBondContact OG-CD 3.39Å
186	D	90.4	Very high	95	Very high	88 Å²	88	58.7 Å²	58.7	47%	0.471	33%	0.333	S	S	.	.	S	Bend	trans	-75.7	138.8	-171.2	-65.7	-5.5	0	0	0	111.4	S162 A184 L188 Y198	S162-D186 WeakPolarHBondContact CB-OD2 3.23Å; S162-D186 PolarHBondContact OG-OD2 2.84Å; A184-D186 VanDerWaalsContact C-N 3.33Å; A184-D186 PolarHBondContact O-N 3.23Å; D186-L188 PolarHBondContact O-N 2.98Å; D186-Y198 WeakPolarHBondContact O-CE1 3.42Å
187	P	91.4	Very high	94.9	Very high	114 Å²	114	60.3 Å²	60.3	74%	0.74	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-68.4	133.8	179.4	28.2	-33.9	0	0	0	111.3
188	L	94.9	Very high	94.7	Very high	21 Å²	21	63.8 Å²	63.8	11%	0.11	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-91.4	143.1	175	-62.8	159.3	0	0	0	110.6	A165 Q166 I169 N182 D186 V190 V196 Y198	A165-L188 HydrophobicContact CB-CD2 3.92Å; Q166-L188 HydrophobicContact CB-CD2 4.33Å; I169-L188 HydrophobicContact CB-CD1 4.39Å; I169-L188 HydrophobicContact CB-CD2 4.24Å; I169-L188 HydrophobicContact CG1-CD1 3.76Å; I169-L188 HydrophobicContact CG1-CD2 4.09Å; I169-L188 HydrophobicContact CG2-CD1 4.27Å; N182-L188 HydrophobicContact CB-CD1 4.11Å; N182-L188 WeakPolarHBondContact ND2-CD1 3.49Å; D186-L188 PolarHBondContact O-N 2.98Å; L188-V190 HydrophobicContact CB-CG1 4.22Å; L188-V196 HydrophobicContact CD1-CG1 4.05Å; L188-Y198 WeakPolarHBondContact CB-OH 3.49Å; L188-Y198 HydrophobicContact CD1-CE1 4.25Å; L188-Y198 HydrophobicContact CG-CE1 4.36Å; L188-Y198 PolarHBondContact N-OH 3.48Å
189	K	96.6	Very high	94.5	Very high	173 Å²	173	63.2 Å²	63.2	75%	0.752	34%	0.337	S	S	*	.			trans	-86.6	114.8	167.7	-63	176.2	-174.6	173.2	0	108	Q166	Q166-K189 PolarHBondContact NE2-O 3.03Å
190	V	97.4	Very high	94.2	Very high	44 Å²	44	63.6 Å²	63.6	27%	0.267	33%	0.334	S	S	.	.			trans	-135.4	156.9	177.9	-61.5	0	0	0	0	110.3	I169 L188 V194 V196	I169-V190 HydrophobicContact CG2-CG1 3.83Å; L188-V190 HydrophobicContact CB-CG1 4.22Å; V190-V194 HydrophobicContact CB-CB 3.93Å; V190-V194 HydrophobicContact CB-CG1 3.94Å; V190-V194 HydrophobicContact CG1-CG1 4.18Å; V190-V194 HydrophobicContact CG2-CB 4Å; V190-V194 HydrophobicContact CG2-CG1 4.07Å; V190-V196 HydrophobicContact CB-CG2 4.48Å; V190-V196 HydrophobicContact CG1-CG2 3.92Å; V190-V196 HydrophobicContact CG2-CG2 3.81Å
191	P	97.5	Very high	93.9	Very high	64 Å²	64	68.4 Å²	68.4	42%	0.416	36%	0.359	S	S	.	.			trans	-60	158.9	171.7	-24.4	35.4	0	0	0	113.6	V173 N193 V194	V173-P191 HydrophobicContact CG1-CG 4.04Å; P191-N193 VanDerWaalsContact CB-OD1 3.27Å; P191-N193 WeakPolarHBondContact CB-OD1 3.41Å; P191-N193 PolarHBondContact O-N 3.22Å; P191-N193 VanDerWaalsContact O-N 3.17Å; P191-V194 HydrophobicContact CB-CG2 4.28Å; P191-V194 HydrophobicContact CG-CG2 4.34Å; P191-V194 WeakPolarHBondContact O-CB 3.42Å; P191-V194 PolarHBondContact O-N 3.41Å
192	D	94.8	Very high	93.6	Very high	168 Å²	168	70.8 Å²	70.8	90%	0.898	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.9	-176.8	-69.9	-24.4	0	0	0	114.3	V194	D192-V194 VanDerWaalsContact C-N 3.26Å; D192-V194 PolarHBondContact O-N 2.8Å
193	N	95.3	Very high	93.2	Very high	107 Å²	107	73.2 Å²	73.2	57%	0.572	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	0.2	177.4	67.9	-60.3	0	0	0	113.4	P191	P191-N193 VanDerWaalsContact CB-OD1 3.27Å; P191-N193 WeakPolarHBondContact CB-OD1 3.41Å; P191-N193 PolarHBondContact O-N 3.22Å; P191-N193 VanDerWaalsContact O-N 3.17Å
194	V	97.5	Very high	93	Very high	9 Å²	9	76.7 Å²	76.7	6%	0.055	41%	0.409	C	S	.	.			trans	-104.5	125.8	178.8	-179.8	0	0	0	0	109.9	V173 T178 I180 V190 P191 D192 V196	V173-V194 HydrophobicContact CG1-CG2 3.83Å; V173-V194 HydrophobicContact CG2-CG1 3.95Å; V173-V194 HydrophobicContact CG2-CG2 4.05Å; T178-V194 CarbonylContact O-C 3.59Å; T178-V194 WeakPolarHBondContact O-CA 3.25Å; I180-V194 HydrophobicContact CD1-CG1 3.71Å; I180-V194 HydrophobicContact CG1-CG1 4.43Å; V190-V194 HydrophobicContact CB-CB 3.93Å; V190-V194 HydrophobicContact CB-CG1 3.94Å; V190-V194 HydrophobicContact CG1-CG1 4.18Å; V190-V194 HydrophobicContact CG2-CB 4Å; V190-V194 HydrophobicContact CG2-CG1 4.07Å; P191-V194 HydrophobicContact CB-CG2 4.28Å; P191-V194 HydrophobicContact CG-CG2 4.34Å; P191-V194 WeakPolarHBondContact O-CB 3.42Å; P191-V194 PolarHBondContact O-N 3.41Å; D192-V194 VanDerWaalsContact C-N 3.26Å; D192-V194 PolarHBondContact O-N 2.8Å; V194-V196 HydrophobicContact CG1-CG2 4.39Å
195	H	95.1	Very high	93.1	Very high	132 Å²	132	81.1 Å²	81.1	61%	0.611	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	113.7	178.9	-64.2	-56.7	0	0	0	111.1	T178 A179 I180	T178-H195 PolarHBondContact O-N 2.81Å; A179-H195 WeakPolarHBondContact CA-O 3.03Å; I180-H195 PolarHBondContact N-O 2.9Å
196	V	95.9	Very high	93.5	Very high	20 Å²	20	83.3 Å²	83.3	12%	0.121	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129	173.5	-169.9	0	0	0	0	110.3	I180 N182 L188 V190 V194 Y198	I180-V196 HydrophobicContact CB-CG1 4.42Å; I180-V196 HydrophobicContact CB-CG2 4.32Å; I180-V196 HydrophobicContact CD1-CG2 4.3Å; I180-V196 HydrophobicContact CG2-CG1 4.37Å; I180-V196 CarbonylContact O-C 3.51Å; I180-V196 WeakPolarHBondContact O-CA 3.39Å; N182-V196 HydrophobicContact CB-CG1 3.91Å; L188-V196 HydrophobicContact CD1-CG1 4.05Å; V190-V196 HydrophobicContact CB-CG2 4.48Å; V190-V196 HydrophobicContact CG1-CG2 3.92Å; V190-V196 HydrophobicContact CG2-CG2 3.81Å; V194-V196 HydrophobicContact CG1-CG2 4.39Å; V196-Y198 HydrophobicContact CB-CE2 3.85Å; V196-Y198 HydrophobicContact CG1-CD1 4.38Å; V196-Y198 HydrophobicContact CG1-CD2 4.07Å; V196-Y198 HydrophobicContact CG1-CE1 3.91Å; V196-Y198 HydrophobicContact CG1-CE2 3.56Å; V196-Y198 HydrophobicContact CG1-CG 4.45Å; V196-Y198 VanDerWaalsContact CG1-CZ 3.46Å
197	H	94.2	Very high	93.5	Very high	78 Å²	78	82.6 Å²	82.6	36%	0.361	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118	168.3	-167.3	52.8	0	0	0	109.9	K19 I180 L181 N182	K19-H197 WeakPolarHBondContact CE-CE1 3.49Å; I180-H197 PolarHBondContact O-N 3.45Å; L181-H197 CarbonylContact C-O 3.4Å; L181-H197 HydrophobicContact CD1-CB 3.95Å; N182-H197 PolarHBondContact N-O 3.41Å
198	Y	93.7	Very high	93.5	Very high	74 Å²	74	82.7 Å²	82.7	29%	0.29	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	133.3	178.6	-60.8	-92.3	0	0	0	110.6	N182 D186 L188 V196	N182-Y198 HydrophobicContact CB-CD1 4.2Å; N182-Y198 HydrophobicContact CB-CE1 4.37Å; N182-Y198 WeakPolarHBondContact ND2-CE1 3.4Å; N182-Y198 CarbonylContact O-C 3.57Å; N182-Y198 WeakPolarHBondContact O-CA 3.47Å; D186-Y198 WeakPolarHBondContact O-CE1 3.42Å; L188-Y198 WeakPolarHBondContact CB-OH 3.49Å; L188-Y198 HydrophobicContact CD1-CE1 4.25Å; L188-Y198 HydrophobicContact CG-CE1 4.36Å; L188-Y198 PolarHBondContact N-OH 3.48Å; V196-Y198 HydrophobicContact CB-CE2 3.85Å; V196-Y198 HydrophobicContact CG1-CD1 4.38Å; V196-Y198 HydrophobicContact CG1-CD2 4.07Å; V196-Y198 HydrophobicContact CG1-CE1 3.91Å; V196-Y198 HydrophobicContact CG1-CE2 3.56Å; V196-Y198 HydrophobicContact CG1-CG 4.45Å; V196-Y198 VanDerWaalsContact CG1-CZ 3.46Å
199	I	92.8	Very high	93.4	Very high	42 Å²	42	86.7 Å²	86.7	22%	0.215	45%	0.448	C	S	.	.			trans	-115	98.6	166.8	-62.2	-179.5	0	0	0	107.7	L181 N182 F183 L201	L181-I199 HydrophobicContact CD1-CD1 3.62Å; L181-I199 HydrophobicContact CD1-CG1 3.89Å; L181-I199 HydrophobicContact CD2-CD1 4.14Å; L181-I199 HydrophobicContact CG-CD1 4.13Å; N182-I199 PolarHBondContact O-N 3.11Å; F183-I199 HydrophobicContact CD1-CB 3.82Å; F183-I199 HydrophobicContact CD1-CG2 3.84Å; F183-I199 HydrophobicContact CE1-CB 3.88Å; F183-I199 HydrophobicContact CE1-CD1 3.77Å; F183-I199 HydrophobicContact CE1-CG1 4.41Å; F183-I199 HydrophobicContact CE1-CG2 3.71Å; F183-I199 HydrophobicContact CE2-CD1 4.3Å; F183-I199 HydrophobicContact CG-CB 4.41Å; F183-I199 HydrophobicContact CZ-CB 4.49Å; F183-I199 HydrophobicContact CZ-CD1 3.66Å; I199-L201 HydrophobicContact CG2-CD2 3.78Å; I199-L201 HydrophobicContact CG2-CG 4.28Å
200	D	91.3	Very high	93.1	Very high	41 Å²	41	85.6 Å²	85.6	22%	0.219	44%	0.441	C	S	.	.			trans	-100.5	98.4	170.9	177.5	1.2	0	0	0	109.5	T202 S203 E204	D200-T202 PolarHBondContact O-N 3.48Å; D200-T202 WeakPolarHBondContact OD1-CA 3.4Å; D200-T202 VanDerWaalsContact OD1-CB 3.27Å; D200-T202 WeakPolarHBondContact OD1-CB 3.26Å; D200-T202 PolarHBondContact OD1-N 3Å; D200-S203 PolarHBondContact O-N 3.05Å; D200-S203 PolarHBondContact OD1-N 3.47Å; D200-S203 WeakPolarHBondContact OD2-CB 3.44Å; D200-S203 PolarHBondContact OD2-OG 3.49Å; D200-E204 VanDerWaalsContact O-CG 3.32Å; D200-E204 WeakPolarHBondContact O-CG 3.35Å; D200-E204 PolarHBondContact O-N 3.24Å
201	L	90	Very high	92.5	Very high	107 Å²	107	89.8 Å²	89.8	56%	0.56	46%	0.455	S	S	*	.	H	α-helix	trans	-61	-27.8	-179.9	-61.4	178	0	0	0	112.8	I199 L205	I199-L201 HydrophobicContact CG2-CD2 3.78Å; I199-L201 HydrophobicContact CG2-CG 4.28Å; L201-L205 WeakPolarHBondContact O-CB 3.42Å; L201-L205 PolarHBondContact O-N 3.44Å
202	T	89.9	Confident	91.9	Very high	88 Å²	88	93.6 Å²	93.6	54%	0.54	47%	0.472	S	S	.	.	H	α-helix	trans	-70	-48.8	178.1	-54	0	0	0	0	109.9	D200 E204 L205 Q206	D200-T202 PolarHBondContact O-N 3.48Å; D200-T202 WeakPolarHBondContact OD1-CA 3.4Å; D200-T202 VanDerWaalsContact OD1-CB 3.27Å; D200-T202 WeakPolarHBondContact OD1-CB 3.26Å; D200-T202 PolarHBondContact OD1-N 3Å; T202-E204 VanDerWaalsContact C-N 3.3Å; T202-E204 PolarHBondContact O-N 3.04Å; T202-L205 PolarHBondContact O-N 3.02Å; T202-Q206 WeakPolarHBondContact O-CG 3.1Å; T202-Q206 PolarHBondContact O-N 3.22Å
203	S	89.5	Confident	90.9	Very high	50 Å²	50	88.9 Å²	88.9	35%	0.35	46%	0.463	S	S	.	.	H	α-helix	trans	-60.4	-39.7	175.6	-72.7	0	0	0	0	112.3	D200 Q206 T207	D200-S203 PolarHBondContact O-N 3.05Å; D200-S203 PolarHBondContact OD1-N 3.47Å; D200-S203 WeakPolarHBondContact OD2-CB 3.44Å; D200-S203 PolarHBondContact OD2-OG 3.49Å; S203-Q206 PolarHBondContact O-N 2.9Å; S203-T207 WeakPolarHBondContact O-CB 3.4Å; S203-T207 PolarHBondContact O-N 3.12Å; S203-T207 PolarHBondContact O-OG1 3.31Å
204	E	89.9	Confident	89.2	Confident	111 Å²	111	92.9 Å²	92.9	52%	0.519	48%	0.479	S	S	.	.	H	α-helix	trans	-64.4	-42.8	175.6	-65.7	-70.5	161.9	0	0	111.5	D200 T202 T207 L208	D200-E204 VanDerWaalsContact O-CG 3.32Å; D200-E204 WeakPolarHBondContact O-CG 3.35Å; D200-E204 PolarHBondContact O-N 3.24Å; T202-E204 VanDerWaalsContact C-N 3.3Å; T202-E204 PolarHBondContact O-N 3.04Å; E204-T207 WeakPolarHBondContact O-CB 3.35Å; E204-T207 PolarHBondContact O-N 3.42Å; E204-L208 PolarHBondContact O-N 3.3Å
205	L	93.1	Very high	88.8	Confident	99 Å²	99	97.1 Å²	97.1	52%	0.518	50%	0.5	S	S	.	.	H	α-helix	trans	-67.3	-41.6	176.7	-177.9	61	0	0	0	112.4	L201 T202 T207 L208 I209	L201-L205 WeakPolarHBondContact O-CB 3.42Å; L201-L205 PolarHBondContact O-N 3.44Å; T202-L205 PolarHBondContact O-N 3.02Å; L205-T207 VanDerWaalsContact C-N 3.28Å; L205-T207 PolarHBondContact O-N 2.97Å; L205-L208 HydrophobicContact CD1-CD2 4.38Å; L205-L208 WeakPolarHBondContact O-CB 3.47Å; L205-L208 PolarHBondContact O-N 3.25Å; L205-L208 VanDerWaalsContact O-N 3.17Å; L205-I209 HydrophobicContact CD1-CD1 4.39Å; L205-I209 HydrophobicContact CD1-CG1 4.5Å; L205-I209 HydrophobicContact CG-CD1 4.03Å; L205-I209 WeakPolarHBondContact O-CG1 3.45Å; L205-I209 PolarHBondContact O-N 3.01Å
206	Q	92.8	Very high	88.5	Confident	120 Å²	120	95.2 Å²	95.2	56%	0.561	49%	0.494	S	S	*	.	H	α-helix	trans	-60.1	-41	174.9	-74.9	175.6	-22.1	0	0	111.5	T202 S203 L208 I209 Y210	T202-Q206 WeakPolarHBondContact O-CG 3.1Å; T202-Q206 PolarHBondContact O-N 3.22Å; S203-Q206 PolarHBondContact O-N 2.9Å; Q206-L208 VanDerWaalsContact C-N 3.32Å; Q206-L208 PolarHBondContact O-N 3.27Å; Q206-I209 PolarHBondContact O-N 3.07Å; Q206-Y210 WeakPolarHBondContact O-CB 3.46Å; Q206-Y210 PolarHBondContact O-N 3.02Å
207	T	90.4	Very high	88.1	Confident	72 Å²	72	99.4 Å²	99.4	44%	0.442	52%	0.515	S	S	.	.	H	α-helix	trans	-61.1	-43.8	175.2	-58.9	0	0	0	0	110.7	S203 E204 L205 Y210 F211	S203-T207 WeakPolarHBondContact O-CB 3.4Å; S203-T207 PolarHBondContact O-N 3.12Å; S203-T207 PolarHBondContact O-OG1 3.31Å; E204-T207 WeakPolarHBondContact O-CB 3.35Å; E204-T207 PolarHBondContact O-N 3.42Å; L205-T207 VanDerWaalsContact C-N 3.28Å; L205-T207 PolarHBondContact O-N 2.97Å; T207-Y210 PolarHBondContact O-N 3.4Å; T207-F211 HydrophobicContact CG2-CD2 4.08Å; T207-F211 HydrophobicContact CG2-CE2 3.77Å; T207-F211 WeakPolarHBondContact O-CD2 3.5Å; T207-F211 PolarHBondContact O-N 3.27Å
208	L	91.4	Very high	87.7	Confident	116 Å²	116	100.6 Å²	100.6	61%	0.607	52%	0.524	S	S	*	.	H	α-helix	trans	-61.1	-48.4	175.9	-179.8	64.1	0	0	0	112	E204 L205 Q206 Y210 F211 D212	E204-L208 PolarHBondContact O-N 3.3Å; L205-L208 HydrophobicContact CD1-CD2 4.38Å; L205-L208 WeakPolarHBondContact O-CB 3.47Å; L205-L208 PolarHBondContact O-N 3.25Å; L205-L208 VanDerWaalsContact O-N 3.17Å; Q206-L208 VanDerWaalsContact C-N 3.32Å; Q206-L208 PolarHBondContact O-N 3.27Å; L208-Y210 VanDerWaalsContact C-N 3.28Å; L208-Y210 PolarHBondContact O-N 2.98Å; L208-F211 PolarHBondContact O-N 2.87Å; L208-F211 VanDerWaalsContact O-N 3.09Å; L208-D212 PolarHBondContact O-N 3.18Å
209	I	93.3	Very high	87.3	Confident	106 Å²	106	102.3 Å²	102.3	54%	0.544	54%	0.538	S	S	.	.	H	α-helix	trans	-60.1	-39.2	179.1	-68	166.1	0	0	0	111.2	L205 Q206 F211 D212 G213	L205-I209 HydrophobicContact CD1-CD1 4.39Å; L205-I209 HydrophobicContact CD1-CG1 4.5Å; L205-I209 HydrophobicContact CG-CD1 4.03Å; L205-I209 WeakPolarHBondContact O-CG1 3.45Å; L205-I209 PolarHBondContact O-N 3.01Å; Q206-I209 PolarHBondContact O-N 3.07Å; I209-F211 PolarHBondContact O-N 3.36Å; I209-D212 PolarHBondContact O-N 3.15Å; I209-G213 PolarHBondContact O-N 3.12Å
210	Y	90.4	Very high	87	Confident	150 Å²	150	106.3 Å²	106.3	59%	0.588	56%	0.56	S	S	*	*	H	α-helix	trans	-59.7	-35.4	176.7	176.7	-96.8	0	0	0	112.7	Q206 T207 L208	Q206-Y210 WeakPolarHBondContact O-CB 3.46Å; Q206-Y210 PolarHBondContact O-N 3.02Å; T207-Y210 PolarHBondContact O-N 3.4Å; L208-Y210 VanDerWaalsContact C-N 3.28Å; L208-Y210 PolarHBondContact O-N 2.98Å
211	F	84.8	Confident	86.6	Confident	131 Å²	131	111 Å²	111	58%	0.575	58%	0.584	S	S	*	*	H	α-helix	trans	-85.1	-20	177.5	-72.2	-64.7	0	0	0	114.2	T207 L208 I209 G213 Q214	T207-F211 HydrophobicContact CG2-CD2 4.08Å; T207-F211 HydrophobicContact CG2-CE2 3.77Å; T207-F211 WeakPolarHBondContact O-CD2 3.5Å; T207-F211 PolarHBondContact O-N 3.27Å; L208-F211 PolarHBondContact O-N 2.87Å; L208-F211 VanDerWaalsContact O-N 3.09Å; I209-F211 PolarHBondContact O-N 3.36Å; F211-G213 VanDerWaalsContact C-N 3.25Å; F211-G213 PolarHBondContact O-N 3.16Å; F211-Q214 PolarHBondContact O-N 3.36Å
212	D	83.1	Confident	86.4	Confident	144 Å²	144	111.3 Å²	111.3	77%	0.77	59%	0.586	S	S	*	*	H	α-helix	trans	-66.7	-29.5	173.2	-172.7	62.4	0	0	0	112	L208 I209 Q214	L208-D212 PolarHBondContact O-N 3.18Å; I209-D212 PolarHBondContact O-N 3.15Å; D212-Q214 VanDerWaalsContact C-N 3.3Å; D212-Q214 PolarHBondContact O-N 2.68Å
213	G	75.2	Confident	86.1	Confident	69 Å²	69	113.3 Å²	113.3	71%	0.711	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	8.2	176.9	0	0	0	0	0	115.9	I209 F211	I209-G213 PolarHBondContact O-N 3.12Å; F211-G213 VanDerWaalsContact C-N 3.25Å; F211-G213 PolarHBondContact O-N 3.16Å
214	Q	59.2	Low	85.8	Confident	191 Å²	191	119 Å²	119	89%	0.893	61%	0.612	S	S	*	*			trans	-115.5	0	-176.3	-65.5	-73.8	-5.9	0	0	112.9	F211 D212	F211-Q214 PolarHBondContact O-N 3.36Å; D212-Q214 VanDerWaalsContact C-N 3.3Å; D212-Q214 PolarHBondContact O-N 2.68Å

Retrieved 214 of 214 residues in 227 ms (Link to these results)

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