A0A3Q0KUU4_SCHMA Loading...

Isocitrate dehydrogenase [NAD] subunit, mitochondrial

AlphaFold DB , UniProt , Accession A0A3Q0KUU4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 360 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	36.6	Very low	32.5	Very low	251 Å²	251	164.7 Å²	164.7	100%	1.236	85%	0.849	S	S	*	*				0	129.7	0	-145.8	163.3	176.5	0	0	107.1
2	R	31.4	Very low	32.4	Very low	235 Å²	235	156.8 Å²	156.8	89%	0.887	84%	0.838	S	S	*	*			trans	-56.4	144.8	-168.4	-66.1	173.5	173.8	-161.9	-2.6	113.3
3	L	34.2	Very low	32.3	Very low	169 Å²	169	155.5 Å²	155.5	89%	0.885	84%	0.839	S	S	*	*				166.3	74.9	129.7	-89.7	147.2	0	0	0	110.4
4	L	34.1	Very low	32.6	Very low	183 Å²	183	154.3 Å²	154.3	96%	0.958	84%	0.839	S	S	*	*			trans	-100.9	78.7	159.6	-82.1	159.7	0	0	0	107.1	S6	L4-S6 PolarHBondContact O-N 2.72Å
5	G	31.5	Very low	32.6	Very low	64 Å²	64	152.7 Å²	152.7	66%	0.66	83%	0.83	S	S	*	*			trans	-74.2	98.3	172	0	0	0	0	0	109.4	V7	G5-V7 PolarHBondContact O-N 3.09Å
6	S	34.8	Very low	32.4	Very low	102 Å²	102	158.8 Å²	158.8	71%	0.713	84%	0.837	S	S	*	*			trans	-60.2	113.6	168.7	170.1	0	0	0	0	109.8	L4 S8	L4-S6 PolarHBondContact O-N 2.72Å; S6-S8 VanDerWaalsContact C-N 3.3Å; S6-S8 PolarHBondContact O-N 2.76Å; S6-S8 VanDerWaalsContact O-N 3.13Å
7	V	30.7	Very low	32.5	Very low	140 Å²	140	160.3 Å²	160.3	85%	0.848	84%	0.835	S	S	*	*			trans	-82.1	80.3	171.1	-175.4	0	0	0	0	107.2	G5	G5-V7 PolarHBondContact O-N 3.09Å
8	S	29.2	Very low	32.7	Very low	101 Å²	101	157.7 Å²	157.7	71%	0.706	83%	0.833	S	S	*	*			trans	-110.5	77.5	167	-79.6	0	0	0	0	109	S6	S6-S8 VanDerWaalsContact C-N 3.3Å; S6-S8 PolarHBondContact O-N 2.76Å; S6-S8 VanDerWaalsContact O-N 3.13Å
9	R	28.4	Very low	33.1	Very low	233 Å²	233	155.7 Å²	155.7	88%	0.879	83%	0.833	S	S	*	*			trans	-150.6	73	169.4	-76.3	-165.8	-176.7	-164.6	1.5	110.8
10	I	32.7	Very low	33.7	Very low	141 Å²	141	152.3 Å²	152.3	72%	0.723	82%	0.822	S	S	*	*	S	Bend	trans	-133.9	-23.8	158.2	-64.5	-172.1	0	0	0	113.8
11	F	33.7	Very low	34.8	Very low	193 Å²	193	149.4 Å²	149.4	85%	0.846	81%	0.809	S	S	*	*	S	Bend	trans	-117.2	105.8	175.8	-69.8	-81.4	0	0	0	111.6	V13	F11-V13 PolarHBondContact O-N 2.89Å
12	G	31.2	Very low	36.9	Very low	69 Å²	69	142.5 Å²	142.5	71%	0.711	78%	0.782	S	S	*	*			trans	-54.9	124.6	169.3	0	0	0	0	0	109.8	V14	G12-V14 VanDerWaalsContact C-N 3.35Å; G12-V14 PolarHBondContact O-N 3.3Å
13	V	32	Very low	39.5	Very low	141 Å²	141	136.7 Å²	136.7	86%	0.855	77%	0.767	S	S	*	*			trans	-62	96	171.7	176.5	0	0	0	0	107.8	F11 N15	F11-V13 PolarHBondContact O-N 2.89Å; V13-N15 PolarHBondContact O-N 2.79Å
14	V	36.3	Very low	42.2	Very low	138 Å²	138	133.7 Å²	133.7	84%	0.836	75%	0.747	S	S	*	*			trans	-72.2	111.8	168.3	176.9	0	0	0	0	107.2	G12 R16	G12-V14 VanDerWaalsContact C-N 3.35Å; G12-V14 PolarHBondContact O-N 3.3Å; V14-R16 PolarHBondContact O-N 3.05Å
15	N	32.2	Very low	45.1	Very low	131 Å²	131	126.7 Å²	126.7	70%	0.701	71%	0.712	S	S	*	*			trans	-53.3	125.9	-177	-139.9	-12.5	0	0	0	111	V13 K17	V13-N15 PolarHBondContact O-N 2.79Å; N15-K17 PolarHBondContact O-N 3.12Å
16	R	29.9	Very low	48.3	Very low	249 Å²	249	123.7 Å²	123.7	94%	0.94	68%	0.68	S	S	*	*			trans	-62.8	93	172.7	-83	179.5	168.8	175.8	-3.3	109.5	V14	V14-R16 PolarHBondContact O-N 3.05Å
17	K	33.6	Very low	51.2	Low	185 Å²	185	118.8 Å²	118.8	80%	0.804	65%	0.646	S	S	*	*			trans	-117.8	117.3	160.3	-79.7	-170.8	176.6	-177.7	0	109.1	N15	N15-K17 PolarHBondContact O-N 3.12Å
18	S	36.6	Very low	54.4	Low	114 Å²	114	112.2 Å²	112.2	80%	0.797	61%	0.606	S	S	*	*			trans	28.3	122.4	151.1	-168.8	0	0	0	0	118.5	S20	S18-S20 VanDerWaalsContact C-N 3.28Å; S18-S20 PolarHBondContact O-N 3.27Å
19	S	39.4	Very low	57.6	Low	119 Å²	119	107.6 Å²	107.6	83%	0.832	57%	0.574	S	S	*	*			trans	-49.8	75.8	170.2	172.6	0	0	0	0	114.3
20	S	45.7	Very low	60.8	Low	88 Å²	88	98.5 Å²	98.5	62%	0.615	55%	0.545	S	S	*	.			trans	-102.5	103.3	153.8	157.7	0	0	0	0	105.5	S18 T22	S18-S20 VanDerWaalsContact C-N 3.28Å; S18-S20 PolarHBondContact O-N 3.27Å; S20-T22 PolarHBondContact O-N 3.37Å; S20-T22 PolarHBondContact O-OG1 3.36Å; S20-T22 VanDerWaalsContact O-OG1 3.09Å
21	T	57.5	Low	63.7	Low	92 Å²	92	92.4 Å²	92.4	56%	0.564	52%	0.516	S	S	*	.			trans	-60.3	91.5	174.7	-45	0	0	0	0	107.7	I23 P52	T21-I23 PolarHBondContact O-N 3.43Å; T21-I23 VanDerWaalsContact O-N 3.09Å; T21-P52 HydrophobicContact CG2-CB 3.51Å; T21-P52 HydrophobicContact CG2-CG 3.62Å
22	T	79.5	Confident	66.6	Low	106 Å²	106	85.7 Å²	85.7	65%	0.65	49%	0.489	S	S	*	.			trans	-73.2	110.6	-174.5	-53.4	0	0	0	0	105.9	S20 K24	S20-T22 PolarHBondContact O-N 3.37Å; S20-T22 PolarHBondContact O-OG1 3.36Å; S20-T22 VanDerWaalsContact O-OG1 3.09Å; T22-K24 PolarHBondContact O-N 3.03Å
23	I	86.9	Confident	69.6	Low	113 Å²	113	84 Å²	84	58%	0.579	47%	0.472	S	S	*	.			trans	-57.2	115.4	179.4	-62.4	174.5	0	0	0	107.6	T21 P52 K54	T21-I23 PolarHBondContact O-N 3.43Å; T21-I23 VanDerWaalsContact O-N 3.09Å; I23-P52 WeakPolarHBondContact CA-O 3.32Å; I23-K54 HydrophobicContact CG2-CB 4.01Å
24	K	90.6	Very high	72.7	Confident	105 Å²	105	77.6 Å²	77.6	46%	0.457	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	140.2	176.9	-72.3	-173.6	177.3	-178.5	0	109.4	T22 P52 I53 K54 M309	T22-K24 PolarHBondContact O-N 3.03Å; K24-P52 PolarHBondContact N-O 3.21Å; K24-I53 CarbonylContact O-C 3.57Å; K24-I53 WeakPolarHBondContact O-CA 3.26Å; K24-I53 WeakPolarHBondContact O-CB 3.29Å; K24-K54 PolarHBondContact O-N 2.9Å; K24-M309 HydrophobicContact CB-CE 3.55Å; K24-M309 HydrophobicContact CD-CE 3.73Å; K24-M309 HydrophobicContact CG-CE 4.24Å
25	T	95.8	Very high	75.5	Confident	37 Å²	37	71 Å²	71	23%	0.227	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	138.8	173.7	-55.5	0	0	0	0	109.4	K54 E56 H83	T25-K54 CarbonylContact C-O 3.57Å; T25-K54 VanDerWaalsContact CA-O 3.24Å; T25-K54 WeakPolarHBondContact CA-O 3.32Å; T25-E56 HydrophobicContact CG2-CB 3.68Å; T25-H83 VanDerWaalsContact CB-CE1 3.45Å; T25-H83 WeakPolarHBondContact CB-CE1 3.47Å; T25-H83 VanDerWaalsContact CG2-CE1 3.45Å; T25-H83 WeakPolarHBondContact CG2-CE1 3.36Å; T25-H83 WeakPolarHBondContact CG2-NE2 3.47Å
26	V	97.3	Very high	78.6	Confident	0 Å²	0	68 Å²	68	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132	179.4	175.2	0	0	0	0	108.4	L28 I53 K54 W55 E56 I85 M305 M309	V26-L28 PolarHBondContact O-N 3.47Å; V26-I53 HydrophobicContact CG2-CB 4.41Å; V26-I53 HydrophobicContact CG2-CD1 4.22Å; V26-I53 HydrophobicContact CG2-CG2 4.46Å; V26-K54 PolarHBondContact N-O 3.41Å; V26-W55 HydrophobicContact CB-CE3 4Å; V26-W55 HydrophobicContact CB-CZ3 3.99Å; V26-W55 HydrophobicContact CG1-CE3 3.96Å; V26-W55 HydrophobicContact CG1-CZ3 3.56Å; V26-E56 PolarHBondContact O-N 3.28Å; V26-I85 HydrophobicContact CG1-CG2 4.3Å; V26-I85 HydrophobicContact CG2-CG2 4.33Å; V26-M305 HydrophobicContact CG1-CE 4.15Å; V26-M305 HydrophobicContact CG1-SD 3.53Å; V26-M305 VanDerWaalsContact CG1-SD 3.53Å; V26-M305 HydrophobicContact CG2-CE 4.37Å; V26-M305 HydrophobicContact CG2-SD 4.3Å; V26-M309 HydrophobicContact CG2-CE 3.92Å; V26-M309 HydrophobicContact CG2-SD 3.95Å
27	A	96.9	Very high	81.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	123.9	173.9	0	0	0	0	0	110	E56 V58 I80 I85 G86 L87	A27-E56 CarbonylContact C-O 3.5Å; A27-E56 WeakPolarHBondContact CA-O 3.18Å; A27-V58 HydrophobicContact CB-CG2 3.98Å; A27-I80 HydrophobicContact CB-CB 4.49Å; A27-I80 HydrophobicContact CB-CG1 3.89Å; A27-I85 PolarHBondContact N-O 3.47Å; A27-G86 CarbonylContact O-C 3.51Å; A27-G86 WeakPolarHBondContact O-CA 2.99Å; A27-L87 PolarHBondContact O-N 2.85Å
28	L	97.8	Very high	84.8	Confident	2 Å²	2	49 Å²	49	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	117.7	174.7	178.1	64.6	0	0	0	109.3	V26 P30 Q43 W55 E56 S57 V58 L87	V26-L28 PolarHBondContact O-N 3.47Å; L28-P30 WeakPolarHBondContact O-CD 3.46Å; L28-Q43 HydrophobicContact CD2-CG 3.87Å; L28-Q43 VanDerWaalsContact CD2-NE2 3.28Å; L28-W55 HydrophobicContact CB-CE3 3.94Å; L28-W55 HydrophobicContact CD1-CE3 4.49Å; L28-W55 HydrophobicContact CD1-CZ3 4.44Å; L28-E56 PolarHBondContact N-O 2.99Å; L28-S57 CarbonylContact O-C 3.57Å; L28-S57 VanDerWaalsContact O-CA 3.32Å; L28-S57 WeakPolarHBondContact O-CA 3.31Å; L28-V58 PolarHBondContact O-N 2.75Å; L28-L87 WeakPolarHBondContact CA-O 3.47Å; L28-L87 HydrophobicContact CD1-CB 4.23Å; L28-L87 HydrophobicContact CD1-CD2 4.21Å; L28-L87 HydrophobicContact CD1-CG 4.37Å
29	I	96.7	Very high	87.7	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	105.1	169.6	-58.6	167.9	0	0	0	106.5	G31 V58 V60 I80 L87 K88 G89 L91 L106	I29-G31 PolarHBondContact O-N 3.48Å; I29-G31 VanDerWaalsContact O-N 3.13Å; I29-V58 HydrophobicContact CG1-CB 4.25Å; I29-V60 HydrophobicContact CD1-CG1 3.89Å; I29-V60 HydrophobicContact CG1-CG1 4.01Å; I29-V60 HydrophobicContact CG2-CG1 4.16Å; I29-V60 HydrophobicContact CG2-CG2 3.57Å; I29-I80 HydrophobicContact CD1-CD1 3.95Å; I29-L87 PolarHBondContact N-O 3.35Å; I29-K88 HydrophobicContact CB-CB 4Å; I29-K88 HydrophobicContact CB-CD 4.47Å; I29-K88 HydrophobicContact CB-CG 4.04Å; I29-K88 HydrophobicContact CD1-CB 4.2Å; I29-K88 HydrophobicContact CD1-CD 3.93Å; I29-K88 HydrophobicContact CD1-CG 4.31Å; I29-K88 HydrophobicContact CG2-CD 4.37Å; I29-K88 HydrophobicContact CG2-CG 4.14Å; I29-K88 WeakPolarHBondContact O-CA 3.49Å; I29-G89 PolarHBondContact O-N 3.05Å; I29-L91 HydrophobicContact CG2-CD2 4.24Å; I29-L106 HydrophobicContact CD1-CD1 3.93Å
30	P	95.5	Very high	90.5	Very high	42 Å²	42	40.3 Å²	40.3	27%	0.273	25%	0.247	S	C	.	.			trans	-59.3	-30.4	-173.6	-25.3	35.4	0	0	0	113.2	L28 G35 S39	L28-P30 WeakPolarHBondContact O-CD 3.46Å; P30-G35 CarbonylContact O-C 3.51Å; P30-G35 WeakPolarHBondContact O-CA 3.46Å; P30-S39 PolarHBondContact O-OG 3.09Å; P30-S39 VanDerWaalsContact O-OG 3.06Å
31	G	93.5	Very high	93	Very high	12 Å²	12	36.3 Å²	36.3	12%	0.124	22%	0.22	C	C	.	.			trans	83.6	-174.9	-174.9	0	0	0	0	0	112.9	I29 P90	I29-G31 PolarHBondContact O-N 3.48Å; I29-G31 VanDerWaalsContact O-N 3.13Å; G31-P90 CarbonylContact C-O 3.58Å; G31-P90 WeakPolarHBondContact CA-O 3.43Å
32	D	93.5	Very high	95	Very high	52 Å²	52	32 Å²	32	28%	0.278	19%	0.194	S	C	.	.	S	Bend	trans	-110.6	162.8	-178.2	-56.2	-53.7	0	0	0	111.1	I34 G35 P90 L91 A92 T283	D32-I34 PolarHBondContact O-N 3.32Å; D32-G35 PolarHBondContact O-N 2.89Å; D32-P90 PolarHBondContact N-O 3.47Å; D32-L91 WeakPolarHBondContact OD2-CA 3.29Å; D32-A92 HydrophobicContact CB-CB 4.28Å; D32-A92 PolarHBondContact OD2-N 3.4Å; D32-T283 HydrophobicContact CB-CG2 3.84Å
33	G	94.4	Very high	95.9	Very high	33 Å²	33	29.9 Å²	29.9	34%	0.34	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	-117.1	178.6	0	0	0	0	0	111.9	G35 P36 T283 A288	G33-G35 PolarHBondContact O-N 2.92Å; G33-P36 WeakPolarHBondContact O-CD 3.38Å; G33-T283 CarbonylContact C-O 3.58Å; G33-T283 WeakPolarHBondContact CA-O 3.47Å; G33-A288 VanDerWaalsContact C-CB 3.47Å
34	I	96.4	Very high	96.4	Very high	7 Å²	7	28.9 Å²	28.9	4%	0.036	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-7.7	174.3	62.1	165.5	0	0	0	113.8	D32 E37 I38 P90 T283 A284 I287 A288 A293	D32-I34 PolarHBondContact O-N 3.32Å; I34-E37 HydrophobicContact CB-CG 4.04Å; I34-E37 WeakPolarHBondContact O-CG 3.44Å; I34-E37 PolarHBondContact O-N 3.42Å; I34-I38 HydrophobicContact CD1-CG2 4.48Å; I34-I38 WeakPolarHBondContact O-CG1 3.49Å; I34-I38 PolarHBondContact O-N 2.7Å; I34-I38 VanDerWaalsContact O-N 3.13Å; I34-P90 HydrophobicContact CG1-CG 4.33Å; I34-T283 PolarHBondContact N-O 3.21Å; I34-A284 HydrophobicContact CD1-CB 4.03Å; I34-A284 HydrophobicContact CG1-CB 4.21Å; I34-A284 HydrophobicContact CG2-CB 3.95Å; I34-I287 HydrophobicContact CG2-CD1 4.01Å; I34-I287 HydrophobicContact CG2-CG1 3.69Å; I34-A288 HydrophobicContact CG2-CB 4.34Å; I34-A293 HydrophobicContact CB-CB 3.74Å; I34-A293 HydrophobicContact CD1-CB 3.77Å; I34-A293 HydrophobicContact CG1-CB 4.34Å; I34-A293 HydrophobicContact CG2-CB 3.83Å
35	G	96.1	Very high	96.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-51.3	-51.8	-177.1	0	0	0	0	0	114.7	P30 D32 G33 E37 I38 S39	P30-G35 CarbonylContact O-C 3.51Å; P30-G35 WeakPolarHBondContact O-CA 3.46Å; D32-G35 PolarHBondContact O-N 2.89Å; G33-G35 PolarHBondContact O-N 2.92Å; G35-E37 VanDerWaalsContact C-N 3.34Å; G35-E37 PolarHBondContact O-N 3.45Å; G35-I38 VanDerWaalsContact O-CG1 3.32Å; G35-I38 WeakPolarHBondContact O-CG1 3.24Å; G35-I38 PolarHBondContact O-N 3.26Å; G35-S39 WeakPolarHBondContact O-CB 3.47Å; G35-S39 PolarHBondContact O-N 3.02Å; G35-S39 PolarHBondContact O-OG 3.21Å
36	P	96.6	Very high	96.9	Very high	69 Å²	69	22.2 Å²	22.2	45%	0.448	14%	0.137	S	C	.	.	H	α-helix	trans	-58.3	-40	178.7	-28.2	37.2	0	0	0	114	G33 A40	G33-P36 WeakPolarHBondContact O-CD 3.38Å; P36-A40 VanDerWaalsContact O-CB 3.32Å; P36-A40 WeakPolarHBondContact O-CB 3.39Å; P36-A40 PolarHBondContact O-N 2.92Å
37	E	96.8	Very high	96.9	Very high	33 Å²	33	30.3 Å²	30.3	15%	0.154	17%	0.172	C	C	.	.	H	α-helix	trans	-70	-46.4	-179.6	56.4	-178.7	-122.3	0	0	112.1	I34 G35 S39 A40 A41 G289 A293	I34-E37 HydrophobicContact CB-CG 4.04Å; I34-E37 WeakPolarHBondContact O-CG 3.44Å; I34-E37 PolarHBondContact O-N 3.42Å; G35-E37 VanDerWaalsContact C-N 3.34Å; G35-E37 PolarHBondContact O-N 3.45Å; E37-S39 VanDerWaalsContact C-N 3.32Å; E37-S39 PolarHBondContact O-N 3.46Å; E37-A40 PolarHBondContact O-N 3.41Å; E37-A41 PolarHBondContact O-N 3.3Å; E37-G289 WeakPolarHBondContact OE2-CA 3.42Å; E37-G289 PolarHBondContact OE2-N 3.02Å; E37-A293 HydrophobicContact CG-CB 4.18Å; E37-A293 WeakPolarHBondContact OE1-CA 3.41Å; E37-A293 WeakPolarHBondContact OE1-CB 3.45Å; E37-A293 PolarHBondContact OE1-N 2.95Å
38	I	97.6	Very high	96.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.4	-32.6	178.3	65.4	176.6	0	0	0	112	I34 G35 A41 V42 A293 P295 L298	I34-I38 HydrophobicContact CD1-CG2 4.48Å; I34-I38 WeakPolarHBondContact O-CG1 3.49Å; I34-I38 PolarHBondContact O-N 2.7Å; I34-I38 VanDerWaalsContact O-N 3.13Å; G35-I38 VanDerWaalsContact O-CG1 3.32Å; G35-I38 WeakPolarHBondContact O-CG1 3.24Å; G35-I38 PolarHBondContact O-N 3.26Å; I38-A41 PolarHBondContact O-N 3.48Å; I38-V42 WeakPolarHBondContact O-CG2 3.45Å; I38-V42 PolarHBondContact O-N 3.4Å; I38-A293 HydrophobicContact CG2-CB 3.56Å; I38-P295 HydrophobicContact CB-CB 3.99Å; I38-P295 HydrophobicContact CG2-CB 4.13Å; I38-L298 HydrophobicContact CB-CD2 4.4Å; I38-L298 HydrophobicContact CD1-CB 4.11Å; I38-L298 HydrophobicContact CD1-CD2 3.95Å; I38-L298 HydrophobicContact CG1-CD2 3.74Å
39	S	97.9	Very high	96.9	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.014	19%	0.194	C	C	.	.	H	α-helix	trans	-66.5	-44.3	175.2	-64.8	0	0	0	0	110.8	P30 G35 E37 A41 V42 Q43	P30-S39 PolarHBondContact O-OG 3.09Å; P30-S39 VanDerWaalsContact O-OG 3.06Å; G35-S39 WeakPolarHBondContact O-CB 3.47Å; G35-S39 PolarHBondContact O-N 3.02Å; G35-S39 PolarHBondContact O-OG 3.21Å; E37-S39 VanDerWaalsContact C-N 3.32Å; E37-S39 PolarHBondContact O-N 3.46Å; S39-A41 VanDerWaalsContact C-N 3.33Å; S39-A41 PolarHBondContact O-N 3.3Å; S39-V42 PolarHBondContact O-N 3.41Å; S39-Q43 WeakPolarHBondContact O-CG 3.2Å; S39-Q43 PolarHBondContact O-N 2.93Å
40	A	97.9	Very high	96.9	Very high	49 Å²	49	41.2 Å²	41.2	41%	0.405	23%	0.227	S	C	.	.	H	α-helix	trans	-60.8	-42.5	175.4	0	0	0	0	0	111.6	P36 E37 V42 Q43 E44	P36-A40 VanDerWaalsContact O-CB 3.32Å; P36-A40 WeakPolarHBondContact O-CB 3.39Å; P36-A40 PolarHBondContact O-N 2.92Å; E37-A40 PolarHBondContact O-N 3.41Å; A40-V42 PolarHBondContact O-N 3.01Å; A40-Q43 PolarHBondContact O-N 3.12Å; A40-E44 PolarHBondContact O-N 3.39Å
41	A	98.3	Very high	97	Very high	5 Å²	5	39.9 Å²	39.9	4%	0.041	22%	0.218	C	C	.	.	H	α-helix	trans	-58.6	-45.3	174.7	0	0	0	0	0	112.5	E37 I38 S39 Q43 E44 I45 P295 T346	E37-A41 PolarHBondContact O-N 3.3Å; I38-A41 PolarHBondContact O-N 3.48Å; S39-A41 VanDerWaalsContact C-N 3.33Å; S39-A41 PolarHBondContact O-N 3.3Å; A41-Q43 PolarHBondContact O-N 3.04Å; A41-E44 PolarHBondContact O-N 2.79Å; A41-I45 WeakPolarHBondContact O-CG1 3.36Å; A41-I45 PolarHBondContact O-N 3.2Å; A41-P295 HydrophobicContact CB-CB 3.82Å; A41-P295 HydrophobicContact CB-CG 4.04Å; A41-T346 HydrophobicContact CB-CG2 4.03Å; A41-T346 VanDerWaalsContact CB-OG1 3.28Å; A41-T346 WeakPolarHBondContact CB-OG1 3.41Å
42	V	98.5	Very high	97.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-63.2	-42.1	175.7	173.6	0	0	0	0	111.4	I38 S39 A40 E44 I45 F46 L87 L298 L299 A302	I38-V42 WeakPolarHBondContact O-CG2 3.45Å; I38-V42 PolarHBondContact O-N 3.4Å; S39-V42 PolarHBondContact O-N 3.41Å; A40-V42 PolarHBondContact O-N 3.01Å; V42-E44 VanDerWaalsContact C-N 3.33Å; V42-E44 PolarHBondContact O-N 3.25Å; V42-I45 PolarHBondContact O-N 2.83Å; V42-F46 HydrophobicContact CG1-CD2 3.88Å; V42-F46 HydrophobicContact CG1-CE2 3.84Å; V42-F46 HydrophobicContact CG1-CZ 4.47Å; V42-F46 WeakPolarHBondContact O-CB 3.35Å; V42-F46 VanDerWaalsContact O-CD2 3.24Å; V42-F46 WeakPolarHBondContact O-CD2 3.35Å; V42-F46 PolarHBondContact O-N 2.87Å; V42-L87 HydrophobicContact CG1-CD2 3.82Å; V42-L298 HydrophobicContact CG2-CB 4.3Å; V42-L298 HydrophobicContact CG2-CD2 4.18Å; V42-L298 HydrophobicContact CG2-CG 4.1Å; V42-L299 HydrophobicContact CG1-CD1 4.33Å; V42-L299 HydrophobicContact CG2-CB 4.05Å; V42-L299 HydrophobicContact CG2-CD1 4.18Å; V42-A302 HydrophobicContact CG1-CB 3.82Å
43	Q	98.4	Very high	97.3	Very high	62 Å²	62	38.8 Å²	38.8	29%	0.29	21%	0.211	S	C	.	.	H	α-helix	trans	-61.9	-40.5	176.3	-69.1	-178.7	-69.3	0	0	112.1	L28 S39 A40 A41 F46 K47 W55	L28-Q43 HydrophobicContact CD2-CG 3.87Å; L28-Q43 VanDerWaalsContact CD2-NE2 3.28Å; S39-Q43 WeakPolarHBondContact O-CG 3.2Å; S39-Q43 PolarHBondContact O-N 2.93Å; A40-Q43 PolarHBondContact O-N 3.12Å; A41-Q43 PolarHBondContact O-N 3.04Å; Q43-F46 PolarHBondContact O-N 2.91Å; Q43-K47 VanDerWaalsContact O-CB 3.32Å; Q43-K47 WeakPolarHBondContact O-CB 3.44Å; Q43-K47 PolarHBondContact O-N 3.13Å; Q43-W55 HydrophobicContact CG-CD2 4.37Å; Q43-W55 HydrophobicContact CG-CG 4.24Å
44	E	98.3	Very high	97.4	Very high	91 Å²	91	43.4 Å²	43.4	43%	0.425	22%	0.221	S	C	.	.	H	α-helix	trans	-62.5	-48.5	176.5	-175.4	174.7	160.7	0	0	111.4	A40 A41 V42 F46 K47 F48 T346	A40-E44 PolarHBondContact O-N 3.39Å; A41-E44 PolarHBondContact O-N 2.79Å; V42-E44 VanDerWaalsContact C-N 3.33Å; V42-E44 PolarHBondContact O-N 3.25Å; E44-F46 VanDerWaalsContact C-N 3.33Å; E44-F46 PolarHBondContact O-N 3.42Å; E44-K47 PolarHBondContact O-N 3.37Å; E44-F48 WeakPolarHBondContact O-CB 3.26Å; E44-F48 PolarHBondContact O-N 3.2Å; E44-T346 HydrophobicContact CB-CG2 4.22Å; E44-T346 HydrophobicContact CG-CG2 4.32Å
45	I	98.6	Very high	97.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60	-44	177.2	-69	163.9	0	0	0	111	A41 V42 F48 A49 L299 I318 T346 I349 I353	A41-I45 WeakPolarHBondContact O-CG1 3.36Å; A41-I45 PolarHBondContact O-N 3.2Å; V42-I45 PolarHBondContact O-N 2.83Å; I45-F48 PolarHBondContact O-N 2.85Å; I45-A49 WeakPolarHBondContact O-CB 3.46Å; I45-A49 PolarHBondContact O-N 2.93Å; I45-L299 HydrophobicContact CB-CD1 4.47Å; I45-L299 HydrophobicContact CD1-CD1 4.08Å; I45-L299 HydrophobicContact CD1-CD2 3.78Å; I45-L299 HydrophobicContact CG2-CD1 4.09Å; I45-I318 HydrophobicContact CG2-CD1 4.46Å; I45-I318 HydrophobicContact CG2-CG1 4.43Å; I45-I318 HydrophobicContact CG2-CG2 3.83Å; I45-T346 HydrophobicContact CD1-CG2 4.02Å; I45-T346 HydrophobicContact CG1-CG2 3.79Å; I45-I349 HydrophobicContact CD1-CB 4.24Å; I45-I349 HydrophobicContact CD1-CD1 3.99Å; I45-I349 HydrophobicContact CD1-CG2 4.02Å; I45-I349 HydrophobicContact CG1-CG2 4.2Å; I45-I349 HydrophobicContact CG2-CG2 4.18Å; I45-I353 HydrophobicContact CG2-CD1 3.73Å
46	F	98.2	Very high	97.5	Very high	3 Å²	3	48 Å²	48	1%	0.013	24%	0.241	C	C	.	.	H	α-helix	trans	-66.9	-37.6	179.7	-88	-130.4	0	0	0	112.4	V42 Q43 E44 D50 V51 I53 W55 L299 A302 M305 L306 I318	V42-F46 HydrophobicContact CG1-CD2 3.88Å; V42-F46 HydrophobicContact CG1-CE2 3.84Å; V42-F46 HydrophobicContact CG1-CZ 4.47Å; V42-F46 WeakPolarHBondContact O-CB 3.35Å; V42-F46 VanDerWaalsContact O-CD2 3.24Å; V42-F46 WeakPolarHBondContact O-CD2 3.35Å; V42-F46 PolarHBondContact O-N 2.87Å; Q43-F46 PolarHBondContact O-N 2.91Å; E44-F46 VanDerWaalsContact C-N 3.33Å; E44-F46 PolarHBondContact O-N 3.42Å; F46-D50 PolarHBondContact O-N 3.09Å; F46-V51 HydrophobicContact CB-CB 4.28Å; F46-V51 HydrophobicContact CB-CG2 4.1Å; F46-V51 HydrophobicContact CD1-CB 3.93Å; F46-V51 HydrophobicContact CD1-CG1 3.79Å; F46-V51 HydrophobicContact CD1-CG2 3.89Å; F46-V51 HydrophobicContact CE1-CG1 4.15Å; F46-V51 HydrophobicContact CG-CB 4.34Å; F46-V51 HydrophobicContact CG-CG2 3.97Å; F46-V51 WeakPolarHBondContact O-CG2 3.42Å; F46-V51 PolarHBondContact O-N 3.14Å; F46-I53 HydrophobicContact CD1-CD1 3.58Å; F46-I53 HydrophobicContact CD1-CG1 4.26Å; F46-I53 HydrophobicContact CE1-CD1 3.82Å; F46-W55 HydrophobicContact CB-CZ2 4.34Å; F46-W55 HydrophobicContact CD1-CH2 4.23Å; F46-W55 AromaticContact CD1-CZ2 3.57Å; F46-W55 HydrophobicContact CD1-CZ2 3.57Å; F46-W55 HydrophobicContact CE1-CH2 4.2Å; F46-W55 AromaticContact CE1-CZ2 3.99Å; F46-W55 HydrophobicContact CE1-CZ2 3.99Å; F46-W55 AromaticContact CG-CZ2 4Å; F46-W55 HydrophobicContact CG-CZ2 4Å; F46-L299 HydrophobicContact CE2-CD1 4.04Å; F46-A302 HydrophobicContact CE1-CB 4.44Å; F46-A302 HydrophobicContact CE2-CB 3.81Å; F46-A302 HydrophobicContact CZ-CB 3.48Å; F46-A302 VanDerWaalsContact CZ-CB 3.48Å; F46-M305 HydrophobicContact CE1-CE 4.03Å; F46-L306 HydrophobicContact CE1-CD1 3.89Å; F46-L306 HydrophobicContact CE1-CD2 3.76Å; F46-L306 HydrophobicContact CE1-CG 3.87Å; F46-L306 HydrophobicContact CE2-CD1 4.38Å; F46-L306 HydrophobicContact CZ-CD1 3.63Å; F46-L306 HydrophobicContact CZ-CD2 4.28Å; F46-L306 HydrophobicContact CZ-CG 3.86Å; F46-I318 HydrophobicContact CD2-CD1 3.97Å; F46-I318 HydrophobicContact CE2-CD1 3.88Å; F46-I318 HydrophobicContact CZ-CD1 4.46Å
47	K	97.5	Very high	97.5	Very high	170 Å²	170	48.4 Å²	48.4	74%	0.739	25%	0.245	S	C	*	.	H	α-helix	trans	-64.8	-43.5	173.7	-175.5	-175	-179.4	-173.6	0	110.8	Q43 E44 A49 D50	Q43-K47 VanDerWaalsContact O-CB 3.32Å; Q43-K47 WeakPolarHBondContact O-CB 3.44Å; Q43-K47 PolarHBondContact O-N 3.13Å; E44-K47 PolarHBondContact O-N 3.37Å; K47-A49 VanDerWaalsContact C-N 3.33Å; K47-D50 PolarHBondContact O-N 3.15Å
48	F	97.6	Very high	97.4	Very high	90 Å²	90	47 Å²	47	40%	0.395	24%	0.239	S	C	.	.	H	α-helix	trans	-66.2	-35.7	178.8	-168.3	-86	0	0	0	112.4	E44 I45 D50 C350 I353 E354	E44-F48 WeakPolarHBondContact O-CB 3.26Å; E44-F48 PolarHBondContact O-N 3.2Å; I45-F48 PolarHBondContact O-N 2.85Å; F48-D50 PolarHBondContact O-N 3.18Å; F48-C350 HydrophobicContact CB-CB 4.34Å; F48-C350 HydrophobicContact CD1-CB 3.78Å; F48-C350 HydrophobicContact CD2-CB 3.94Å; F48-C350 HydrophobicContact CE1-CB 4.04Å; F48-C350 WeakPolarHBondContact CE1-O 3.46Å; F48-C350 HydrophobicContact CE2-CB 4.17Å; F48-C350 HydrophobicContact CG-CB 3.73Å; F48-C350 HydrophobicContact CZ-CB 4.22Å; F48-I353 HydrophobicContact CD1-CB 4.16Å; F48-I353 HydrophobicContact CD1-CG2 3.98Å; F48-I353 HydrophobicContact CE1-CB 4.25Å; F48-I353 HydrophobicContact CE1-CG2 4.19Å; F48-E354 HydrophobicContact CE1-CB 3.98Å; F48-E354 HydrophobicContact CZ-CB 4.01Å
49	A	97.3	Very high	97.1	Very high	8 Å²	8	50.3 Å²	50.3	7%	0.066	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	9.7	176.8	0	0	0	0	0	114.3	I45 K47 V51 I318 I353	I45-A49 WeakPolarHBondContact O-CB 3.46Å; I45-A49 PolarHBondContact O-N 2.93Å; K47-A49 VanDerWaalsContact C-N 3.33Å; A49-V51 HydrophobicContact CB-CG2 3.99Å; A49-V51 PolarHBondContact O-N 3.3Å; A49-V51 VanDerWaalsContact O-N 3.12Å; A49-I318 HydrophobicContact CB-CD1 3.92Å; A49-I318 HydrophobicContact CB-CG1 3.88Å; A49-I353 HydrophobicContact CB-CD1 4.26Å; A49-I353 HydrophobicContact CB-CG2 4.22Å
50	D	95.8	Very high	96.8	Very high	136 Å²	136	50.4 Å²	50.4	73%	0.727	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	38.1	-178.3	-69.6	-46.5	0	0	0	113.8	F46 K47 F48	F46-D50 PolarHBondContact O-N 3.09Å; K47-D50 PolarHBondContact O-N 3.15Å; F48-D50 PolarHBondContact O-N 3.18Å
51	V	97.5	Very high	96.3	Very high	14 Å²	14	51.6 Å²	51.6	9%	0.085	26%	0.26	C	S	.	.			trans	-64.6	128	-178.6	-178.1	0	0	0	0	109.5	F46 A49 I53 L306 L311 H314 I318	F46-V51 HydrophobicContact CB-CB 4.28Å; F46-V51 HydrophobicContact CB-CG2 4.1Å; F46-V51 HydrophobicContact CD1-CB 3.93Å; F46-V51 HydrophobicContact CD1-CG1 3.79Å; F46-V51 HydrophobicContact CD1-CG2 3.89Å; F46-V51 HydrophobicContact CE1-CG1 4.15Å; F46-V51 HydrophobicContact CG-CB 4.34Å; F46-V51 HydrophobicContact CG-CG2 3.97Å; F46-V51 WeakPolarHBondContact O-CG2 3.42Å; F46-V51 PolarHBondContact O-N 3.14Å; A49-V51 HydrophobicContact CB-CG2 3.99Å; A49-V51 PolarHBondContact O-N 3.3Å; A49-V51 VanDerWaalsContact O-N 3.12Å; V51-I53 HydrophobicContact CG1-CB 4.5Å; V51-I53 HydrophobicContact CG1-CD1 4.28Å; V51-I53 HydrophobicContact CG1-CG1 3.92Å; V51-I53 HydrophobicContact CG1-CG2 4.07Å; V51-I53 PolarHBondContact O-N 3.05Å; V51-L306 HydrophobicContact CG1-CD2 3.59Å; V51-L311 HydrophobicContact CG1-CD1 4.42Å; V51-H314 HydrophobicContact CG2-CB 4.24Å; V51-I318 HydrophobicContact CG2-CD1 3.87Å
52	P	96.7	Very high	95.7	Very high	22 Å²	22	52.3 Å²	52.3	14%	0.143	26%	0.264	C	S	.	.	S	Bend	trans	-80.7	57.4	-173.4	34.7	-39.4	0	0	0	112.2	T21 I23 K24 L311 H314	T21-P52 HydrophobicContact CG2-CB 3.51Å; T21-P52 HydrophobicContact CG2-CG 3.62Å; I23-P52 WeakPolarHBondContact CA-O 3.32Å; K24-P52 PolarHBondContact N-O 3.21Å; P52-L311 HydrophobicContact CG-CD1 4.18Å; P52-L311 HydrophobicContact CG-CD2 3.74Å; P52-H314 VanDerWaalsContact CD-CE1 3.46Å; P52-H314 WeakPolarHBondContact CD-CE1 3.43Å; P52-H314 WeakPolarHBondContact CD-NE2 3.42Å
53	I	96.6	Very high	95	Very high	20 Å²	20	58.7 Å²	58.7	10%	0.103	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	156.8	175.4	69.6	171.1	0	0	0	111.1	K24 V26 F46 V51 W55 M305 M309 L311	K24-I53 CarbonylContact O-C 3.57Å; K24-I53 WeakPolarHBondContact O-CA 3.26Å; K24-I53 WeakPolarHBondContact O-CB 3.29Å; V26-I53 HydrophobicContact CG2-CB 4.41Å; V26-I53 HydrophobicContact CG2-CD1 4.22Å; V26-I53 HydrophobicContact CG2-CG2 4.46Å; F46-I53 HydrophobicContact CD1-CD1 3.58Å; F46-I53 HydrophobicContact CD1-CG1 4.26Å; F46-I53 HydrophobicContact CE1-CD1 3.82Å; V51-I53 HydrophobicContact CG1-CB 4.5Å; V51-I53 HydrophobicContact CG1-CD1 4.28Å; V51-I53 HydrophobicContact CG1-CG1 3.92Å; V51-I53 HydrophobicContact CG1-CG2 4.07Å; V51-I53 PolarHBondContact O-N 3.05Å; I53-W55 HydrophobicContact CD1-CD2 4.24Å; I53-W55 HydrophobicContact CD1-CE3 4.36Å; I53-W55 HydrophobicContact CD1-CH2 3.7Å; I53-W55 HydrophobicContact CD1-CZ2 3.52Å; I53-W55 HydrophobicContact CD1-CZ3 4.11Å; I53-M305 HydrophobicContact CD1-CE 4.12Å; I53-M309 HydrophobicContact CG2-CE 3.65Å; I53-M309 HydrophobicContact CG2-SD 4.46Å; I53-L311 HydrophobicContact CG2-CD1 3.87Å
54	K	96.8	Very high	94.3	Very high	129 Å²	129	60 Å²	60	56%	0.561	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.9	169.7	-177.4	178.9	177.4	-176.3	0	108.9	I23 K24 T25 V26	I23-K54 HydrophobicContact CG2-CB 4.01Å; K24-K54 PolarHBondContact O-N 2.9Å; T25-K54 CarbonylContact C-O 3.57Å; T25-K54 VanDerWaalsContact CA-O 3.24Å; T25-K54 WeakPolarHBondContact CA-O 3.32Å; V26-K54 PolarHBondContact N-O 3.41Å
55	W	97.6	Very high	93.5	Very high	47 Å²	47	58 Å²	58	18%	0.178	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	134.4	171.5	-58.9	110.2	0	0	0	110.3	V26 L28 Q43 F46 I53 L87 M305	V26-W55 HydrophobicContact CB-CE3 4Å; V26-W55 HydrophobicContact CB-CZ3 3.99Å; V26-W55 HydrophobicContact CG1-CE3 3.96Å; V26-W55 HydrophobicContact CG1-CZ3 3.56Å; L28-W55 HydrophobicContact CB-CE3 3.94Å; L28-W55 HydrophobicContact CD1-CE3 4.49Å; L28-W55 HydrophobicContact CD1-CZ3 4.44Å; Q43-W55 HydrophobicContact CG-CD2 4.37Å; Q43-W55 HydrophobicContact CG-CG 4.24Å; F46-W55 HydrophobicContact CB-CZ2 4.34Å; F46-W55 HydrophobicContact CD1-CH2 4.23Å; F46-W55 AromaticContact CD1-CZ2 3.57Å; F46-W55 HydrophobicContact CD1-CZ2 3.57Å; F46-W55 HydrophobicContact CE1-CH2 4.2Å; F46-W55 AromaticContact CE1-CZ2 3.99Å; F46-W55 HydrophobicContact CE1-CZ2 3.99Å; F46-W55 AromaticContact CG-CZ2 4Å; F46-W55 HydrophobicContact CG-CZ2 4Å; I53-W55 HydrophobicContact CD1-CD2 4.24Å; I53-W55 HydrophobicContact CD1-CE3 4.36Å; I53-W55 HydrophobicContact CD1-CH2 3.7Å; I53-W55 HydrophobicContact CD1-CZ2 3.52Å; I53-W55 HydrophobicContact CD1-CZ3 4.11Å; W55-L87 HydrophobicContact CH2-CB 4.32Å; W55-L87 HydrophobicContact CH2-CD2 3.68Å; W55-L87 HydrophobicContact CZ3-CB 3.94Å; W55-L87 HydrophobicContact CZ3-CD2 4.06Å; W55-M305 HydrophobicContact CH2-CE 3.78Å; W55-M305 HydrophobicContact CZ3-CE 4.13Å
56	E	97	Very high	92.8	Very high	57 Å²	57	68 Å²	68	27%	0.266	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	106.9	164.8	-170.8	167.2	165.1	0	0	107.9	T25 V26 A27 L28 I79 H83	T25-E56 HydrophobicContact CG2-CB 3.68Å; V26-E56 PolarHBondContact O-N 3.28Å; A27-E56 CarbonylContact C-O 3.5Å; A27-E56 WeakPolarHBondContact CA-O 3.18Å; L28-E56 PolarHBondContact N-O 2.99Å; E56-I79 HydrophobicContact CB-CG2 4.38Å; E56-I79 HydrophobicContact CG-CG2 3.87Å; E56-H83 IonicContact OE2-CD2 3.74Å; E56-H83 IonicContact OE2-CE1 2.7Å; E56-H83 IonicContact OE2-NE2 3.44Å; E56-H83 PolarHBondContact OE2-NE2 3.15Å
57	S	96.3	Very high	92.1	Very high	77 Å²	77	71.9 Å²	71.9	54%	0.538	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	137.1	-177.2	-63.3	0	0	0	0	111.4	L28	L28-S57 CarbonylContact O-C 3.57Å; L28-S57 VanDerWaalsContact O-CA 3.32Å; L28-S57 WeakPolarHBondContact O-CA 3.31Å
58	V	94.7	Very high	91.3	Very high	4 Å²	4	66.4 Å²	66.4	2%	0.024	36%	0.355	C	S	.	.			trans	-126.5	124.4	-175.8	-178.3	0	0	0	0	109.9	A27 L28 I29 V60 I79 I80	A27-V58 HydrophobicContact CB-CG2 3.98Å; L28-V58 PolarHBondContact O-N 2.75Å; I29-V58 HydrophobicContact CG1-CB 4.25Å; V58-V60 HydrophobicContact CG1-CG1 3.97Å; V58-I79 HydrophobicContact CG2-CB 4.02Å; V58-I79 HydrophobicContact CG2-CD1 4.39Å; V58-I79 HydrophobicContact CG2-CG2 3.52Å; V58-I80 HydrophobicContact CG1-CD1 4.11Å; V58-I80 HydrophobicContact CG1-CG1 4.25Å; V58-I80 HydrophobicContact CG2-CG1 4.32Å
59	D	92.3	Very high	90.5	Very high	69 Å²	69	70 Å²	70	37%	0.369	37%	0.366	S	S	.	.			trans	-89.4	114.2	171.8	171.5	17.8	0	0	0	109.9	T61 R63 S76	D59-T61 VanDerWaalsContact OD1-CB 3.27Å; D59-T61 WeakPolarHBondContact OD1-CB 3.32Å; D59-T61 PolarHBondContact OD1-N 2.89Å; D59-T61 PolarHBondContact OD1-OG1 3.39Å; D59-T61 VanDerWaalsContact OD1-OG1 3.06Å; D59-R63 IonicContact OD2-CZ 2.87Å; D59-R63 IonicContact OD2-NH2 3.74Å; D59-R63 PolarHBondContact OD2-NH2 3.3Å; D59-S76 VanDerWaalsContact O-CB 3.23Å; D59-S76 WeakPolarHBondContact O-CB 3.36Å; D59-S76 PolarHBondContact O-OG 2.85Å
60	V	90.3	Very high	89.7	Confident	5 Å²	5	74.8 Å²	74.8	3%	0.03	39%	0.386	C	S	.	.			trans	-103.8	11.6	178.9	-59.8	0	0	0	0	113	I29 V58 P62 M72 I80 L91	I29-V60 HydrophobicContact CD1-CG1 3.89Å; I29-V60 HydrophobicContact CG1-CG1 4.01Å; I29-V60 HydrophobicContact CG2-CG1 4.16Å; I29-V60 HydrophobicContact CG2-CG2 3.57Å; V58-V60 HydrophobicContact CG1-CG1 3.97Å; V60-P62 WeakPolarHBondContact O-CD 3.37Å; V60-M72 HydrophobicContact CB-CG 4.26Å; V60-M72 HydrophobicContact CB-SD 3.89Å; V60-M72 HydrophobicContact CG1-SD 4.19Å; V60-M72 WeakPolarHBondContact O-CG 3.44Å; V60-I80 HydrophobicContact CG1-CD1 4.46Å; V60-L91 HydrophobicContact CG2-CD1 3.79Å; V60-L91 HydrophobicContact CG2-CD2 3.79Å; V60-L91 HydrophobicContact CG2-CG 4.48Å
61	T	87.8	Confident	89.2	Confident	74 Å²	74	73.6 Å²	73.6	45%	0.454	37%	0.371	S	S	.	.			trans	-60	126	178.9	-60.2	0	0	0	0	110.6	D59 R63 P73	D59-T61 VanDerWaalsContact OD1-CB 3.27Å; D59-T61 WeakPolarHBondContact OD1-CB 3.32Å; D59-T61 PolarHBondContact OD1-N 2.89Å; D59-T61 PolarHBondContact OD1-OG1 3.39Å; D59-T61 VanDerWaalsContact OD1-OG1 3.06Å; T61-R63 PolarHBondContact O-N 3.11Å; T61-P73 WeakPolarHBondContact O-CD 3.33Å
62	P	85.3	Confident	88.8	Confident	19 Å²	19	74 Å²	74	12%	0.123	37%	0.372	C	S	.	.			trans	-61.9	135.8	179.5	-27.4	37.1	0	0	0	112.9	V60 F70 R71 H99 L102	V60-P62 WeakPolarHBondContact O-CD 3.37Å; P62-F70 HydrophobicContact CB-CB 3.86Å; P62-F70 HydrophobicContact CB-CD1 4.38Å; P62-R71 CarbonylContact C-O 3.48Å; P62-R71 WeakPolarHBondContact CA-O 3.28Å; P62-H99 HydrophobicContact CB-CB 4.16Å; P62-H99 HydrophobicContact CG-CB 4.07Å; P62-L102 HydrophobicContact CG-CD1 4.02Å; P62-L102 HydrophobicContact CG-CD2 3.45Å; P62-L102 VanDerWaalsContact CG-CD2 3.45Å; P62-L102 HydrophobicContact CG-CG 4.07Å
63	R	84.5	Confident	88.5	Confident	135 Å²	135	74 Å²	74	51%	0.509	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	146.7	174.6	-58.6	-177.6	-167.2	-122.7	-1.5	109.6	D59 T61 T65 F70 R71 P73	D59-R63 IonicContact OD2-CZ 2.87Å; D59-R63 IonicContact OD2-NH2 3.74Å; D59-R63 PolarHBondContact OD2-NH2 3.3Å; T61-R63 PolarHBondContact O-N 3.11Å; R63-T65 PolarHBondContact O-N 2.78Å; R63-F70 WeakPolarHBondContact O-CA 3.49Å; R63-R71 PolarHBondContact N-O 3.25Å; R63-R71 PolarHBondContact O-N 2.97Å; R63-P73 HydrophobicContact CG-CG 4.41Å
64	P	82.8	Confident	88.2	Confident	91 Å²	91	77.9 Å²	77.9	59%	0.591	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	132	174	26.7	-32.7	0	0	0	109.9	R69 F70	P64-R69 CarbonylContact C-O 3.59Å; P64-R69 WeakPolarHBondContact CA-O 3.3Å; P64-F70 HydrophobicContact CB-CE1 4.13Å; P64-F70 HydrophobicContact CB-CZ 4.21Å; P64-F70 HydrophobicContact CG-CE1 4.36Å
65	T	82.3	Confident	88	Confident	49 Å²	49	75.3 Å²	75.3	30%	0.301	39%	0.388	S	S	.	.			trans	-98.7	168	171.5	47.5	0	0	0	0	110.8	R63 D67 G68 R69 R71	R63-T65 PolarHBondContact O-N 2.78Å; T65-D67 WeakPolarHBondContact CB-OD1 3.38Å; T65-D67 PolarHBondContact O-N 3.26Å; T65-D67 VanDerWaalsContact O-N 3.12Å; T65-D67 PolarHBondContact OG1-OD1 3.44Å; T65-G68 PolarHBondContact O-N 3.21Å; T65-R69 PolarHBondContact N-O 3.34Å; T65-R69 PolarHBondContact OG1-O 3.44Å; T65-R71 HydrophobicContact CG2-CB 4.05Å; T65-R71 HydrophobicContact CG2-CG 4.24Å; T65-R71 PolarHBondContact OG1-NH1 2.95Å
66	E	83.7	Confident	87.7	Confident	210 Å²	210	73.5 Å²	73.5	98%	0.981	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.1	-177.1	-64.5	179.2	176.3	0	0	113.7	G68	E66-G68 PolarHBondContact O-N 3Å
67	D	84.5	Confident	87.4	Confident	84 Å²	84	71.4 Å²	71.4	45%	0.449	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	6.9	176	66.8	-8.7	0	0	0	113.9	T65 R69 R71	T65-D67 WeakPolarHBondContact CB-OD1 3.38Å; T65-D67 PolarHBondContact O-N 3.26Å; T65-D67 VanDerWaalsContact O-N 3.12Å; T65-D67 PolarHBondContact OG1-OD1 3.44Å; D67-R69 PolarHBondContact O-N 3.47Å; D67-R69 WeakPolarHBondContact OD1-CB 3.12Å; D67-R69 PolarHBondContact OD1-N 3.48Å; D67-R69 VanDerWaalsContact OD1-N 3.12Å; D67-R71 VanDerWaalsContact CG-NH1 3.3Å; D67-R71 IonicContact OD1-NH1 3.74Å; D67-R71 PolarHBondContact OD1-NH1 3Å; D67-R71 VanDerWaalsContact OD1-NH1 3.13Å; D67-R71 IonicContact OD2-CZ 3.89Å; D67-R71 VanDerWaalsContact OD2-CZ 3.27Å; D67-R71 IonicContact OD2-NH1 2.75Å; D67-R71 PolarHBondContact OD2-NH1 3.46Å; D67-R71 IonicContact OD2-NH2 3.67Å; D67-R71 PolarHBondContact OD2-NH2 2.89Å
68	G	79.8	Confident	87.2	Confident	55 Å²	55	71 Å²	71	57%	0.567	37%	0.365	S	S	*	.	S	Bend	trans	74.6	1.7	-178.7	0	0	0	0	0	114.7	T65 E66	T65-G68 PolarHBondContact O-N 3.21Å; E66-G68 PolarHBondContact O-N 3Å
69	R	80.2	Confident	87.1	Confident	164 Å²	164	72.6 Å²	72.6	62%	0.619	37%	0.373	S	S	*	.			trans	-82.7	155.9	174.7	-61	-174.5	-178.8	-170	1.9	110.3	P64 T65 D67	P64-R69 CarbonylContact C-O 3.59Å; P64-R69 WeakPolarHBondContact CA-O 3.3Å; T65-R69 PolarHBondContact N-O 3.34Å; T65-R69 PolarHBondContact OG1-O 3.44Å; D67-R69 PolarHBondContact O-N 3.47Å; D67-R69 WeakPolarHBondContact OD1-CB 3.12Å; D67-R69 PolarHBondContact OD1-N 3.48Å; D67-R69 VanDerWaalsContact OD1-N 3.12Å
70	F	81.4	Confident	87.1	Confident	110 Å²	110	69.4 Å²	69.4	48%	0.482	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.9	173.2	-77.1	-99.4	0	0	0	109.3	P62 R63 P64 H99	P62-F70 HydrophobicContact CB-CB 3.86Å; P62-F70 HydrophobicContact CB-CD1 4.38Å; R63-F70 WeakPolarHBondContact O-CA 3.49Å; P64-F70 HydrophobicContact CB-CE1 4.13Å; P64-F70 HydrophobicContact CB-CZ 4.21Å; P64-F70 HydrophobicContact CG-CE1 4.36Å; F70-H99 HydrophobicContact CB-CB 3.83Å
71	R	85.2	Confident	87.1	Confident	111 Å²	111	74.9 Å²	74.9	42%	0.419	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.4	-179.9	-64.7	-170.5	177.6	98.6	-4.9	111.8	P62 R63 T65 D67	P62-R71 CarbonylContact C-O 3.48Å; P62-R71 WeakPolarHBondContact CA-O 3.28Å; R63-R71 PolarHBondContact N-O 3.25Å; R63-R71 PolarHBondContact O-N 2.97Å; T65-R71 HydrophobicContact CG2-CB 4.05Å; T65-R71 HydrophobicContact CG2-CG 4.24Å; T65-R71 PolarHBondContact OG1-NH1 2.95Å; D67-R71 VanDerWaalsContact CG-NH1 3.3Å; D67-R71 IonicContact OD1-NH1 3.74Å; D67-R71 PolarHBondContact OD1-NH1 3Å; D67-R71 VanDerWaalsContact OD1-NH1 3.13Å; D67-R71 IonicContact OD2-CZ 3.89Å; D67-R71 VanDerWaalsContact OD2-CZ 3.27Å; D67-R71 IonicContact OD2-NH1 2.75Å; D67-R71 PolarHBondContact OD2-NH1 3.46Å; D67-R71 IonicContact OD2-NH2 3.67Å; D67-R71 PolarHBondContact OD2-NH2 2.89Å
72	M	89.6	Confident	87.3	Confident	23 Å²	23	78.6 Å²	78.6	11%	0.113	39%	0.386	C	S	.	.			trans	-61.9	147.4	171.1	-68	-177.1	-81.3	0	0	110.6	V60 Q74 L77 L102 A105 L106	V60-M72 HydrophobicContact CB-CG 4.26Å; V60-M72 HydrophobicContact CB-SD 3.89Å; V60-M72 HydrophobicContact CG1-SD 4.19Å; V60-M72 WeakPolarHBondContact O-CG 3.44Å; M72-Q74 PolarHBondContact O-N 2.91Å; M72-L77 HydrophobicContact CB-CD2 4.36Å; M72-L77 HydrophobicContact CB-CG 4.46Å; M72-L77 HydrophobicContact CE-CD2 3.84Å; M72-L77 HydrophobicContact SD-CD2 4.15Å; M72-L102 HydrophobicContact CG-CD2 3.62Å; M72-L102 HydrophobicContact SD-CD2 4.02Å; M72-A105 HydrophobicContact CE-CB 3.59Å; M72-L106 HydrophobicContact CE-CD2 3.91Å; M72-L106 HydrophobicContact CE-CG 4.02Å; M72-L106 HydrophobicContact SD-CD2 3.7Å; M72-L106 HydrophobicContact SD-CG 3.94Å
73	P	90.1	Very high	87.6	Confident	20 Å²	20	79.7 Å²	79.7	13%	0.13	39%	0.389	C	S	.	.			trans	-61	135.6	175.5	-20.8	33	0	0	0	111.4	T61 R63 S75 S76 L77	T61-P73 WeakPolarHBondContact O-CD 3.33Å; R63-P73 HydrophobicContact CG-CG 4.41Å; P73-S75 VanDerWaalsContact C-N 3.26Å; P73-S75 PolarHBondContact O-N 3.36Å; P73-S76 VanDerWaalsContact O-CB 3.28Å; P73-S76 WeakPolarHBondContact O-CB 3.24Å; P73-S76 PolarHBondContact O-N 2.73Å; P73-L77 PolarHBondContact O-N 3.47Å
74	Q	90	Very high	88	Confident	102 Å²	102	74.1 Å²	74.1	48%	0.477	37%	0.373	S	S	.	.	H	α-helix	trans	-60.5	-37.8	-179.7	-171.5	56.7	50.1	0	0	112	M72 S76 L77 D78	M72-Q74 PolarHBondContact O-N 2.91Å; Q74-S76 PolarHBondContact O-N 3.43Å; Q74-L77 PolarHBondContact O-N 3.19Å; Q74-L77 VanDerWaalsContact O-N 3.13Å; Q74-D78 PolarHBondContact NE2-OD1 2.87Å; Q74-D78 PolarHBondContact O-N 3.12Å
75	S	91.9	Very high	88.6	Confident	76 Å²	76	70.8 Å²	70.8	53%	0.531	35%	0.35	S	S	.	.	H	α-helix	trans	-54.6	-36.6	174.8	54.4	0	0	0	0	112.7	P73 D78 I79	P73-S75 VanDerWaalsContact C-N 3.26Å; P73-S75 PolarHBondContact O-N 3.36Å; S75-D78 PolarHBondContact O-N 3.04Å; S75-I79 VanDerWaalsContact O-CG1 3.3Å; S75-I79 WeakPolarHBondContact O-CG1 3.4Å; S75-I79 PolarHBondContact O-N 3.25Å; S75-I79 VanDerWaalsContact O-N 3.12Å
76	S	91.5	Very high	89.3	Confident	8 Å²	8	68.5 Å²	68.5	6%	0.056	34%	0.337	C	S	.	.	H	α-helix	trans	-71.3	-43.3	-179.8	-57.9	0	0	0	0	111.3	D59 P73 Q74 D78 I79 I80	D59-S76 VanDerWaalsContact O-CB 3.23Å; D59-S76 WeakPolarHBondContact O-CB 3.36Å; D59-S76 PolarHBondContact O-OG 2.85Å; P73-S76 VanDerWaalsContact O-CB 3.28Å; P73-S76 WeakPolarHBondContact O-CB 3.24Å; P73-S76 PolarHBondContact O-N 2.73Å; Q74-S76 PolarHBondContact O-N 3.43Å; S76-D78 VanDerWaalsContact C-N 3.31Å; S76-D78 PolarHBondContact O-N 3.43Å; S76-I79 PolarHBondContact O-N 3.22Å; S76-I80 WeakPolarHBondContact O-CG1 3.47Å; S76-I80 PolarHBondContact O-N 2.87Å
77	L	91.3	Very high	90	Very high	13 Å²	13	58.6 Å²	58.6	7%	0.068	29%	0.291	C	S	.	.	H	α-helix	trans	-63.4	-39	173.9	-61.3	-178.5	0	0	0	111.6	M72 P73 Q74 I80 R81 L106 E109 F110	M72-L77 HydrophobicContact CB-CD2 4.36Å; M72-L77 HydrophobicContact CB-CG 4.46Å; M72-L77 HydrophobicContact CE-CD2 3.84Å; M72-L77 HydrophobicContact SD-CD2 4.15Å; P73-L77 PolarHBondContact O-N 3.47Å; Q74-L77 PolarHBondContact O-N 3.19Å; Q74-L77 VanDerWaalsContact O-N 3.13Å; L77-I80 PolarHBondContact O-N 2.94Å; L77-R81 VanDerWaalsContact O-CB 3.3Å; L77-R81 WeakPolarHBondContact O-CB 3.17Å; L77-R81 PolarHBondContact O-N 3.47Å; L77-L106 HydrophobicContact CD2-CD2 4.36Å; L77-E109 HydrophobicContact CD1-CG 4.27Å; L77-E109 HydrophobicContact CD2-CG 4.15Å; L77-F110 HydrophobicContact CD2-CE2 4.18Å; L77-F110 HydrophobicContact CD2-CZ 4.19Å
78	D	93.1	Very high	90.6	Very high	69 Å²	69	54.8 Å²	54.8	37%	0.369	27%	0.27	S	S	.	.	H	α-helix	trans	-66.5	-38.3	179.9	-64.4	-21.9	0	0	0	112	Q74 S75 S76 R81 K82	Q74-D78 PolarHBondContact NE2-OD1 2.87Å; Q74-D78 PolarHBondContact O-N 3.12Å; S75-D78 PolarHBondContact O-N 3.04Å; S76-D78 VanDerWaalsContact C-N 3.31Å; S76-D78 PolarHBondContact O-N 3.43Å; D78-R81 PolarHBondContact O-N 2.86Å; D78-R81 IonicContact OD1-CZ 3.95Å; D78-R81 IonicContact OD1-NH1 2.69Å; D78-R81 PolarHBondContact OD1-NH1 3.49Å; D78-K82 WeakPolarHBondContact O-CB 3.49Å; D78-K82 PolarHBondContact O-N 3.44Å
79	I	91.7	Very high	91.4	Very high	37 Å²	37	52.1 Å²	52.1	19%	0.19	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-48.2	173.8	-67.9	165.1	0	0	0	110.7	E56 V58 S75 S76 R81 K82 H83	E56-I79 HydrophobicContact CB-CG2 4.38Å; E56-I79 HydrophobicContact CG-CG2 3.87Å; V58-I79 HydrophobicContact CG2-CB 4.02Å; V58-I79 HydrophobicContact CG2-CD1 4.39Å; V58-I79 HydrophobicContact CG2-CG2 3.52Å; S75-I79 VanDerWaalsContact O-CG1 3.3Å; S75-I79 WeakPolarHBondContact O-CG1 3.4Å; S75-I79 PolarHBondContact O-N 3.25Å; S75-I79 VanDerWaalsContact O-N 3.12Å; S76-I79 PolarHBondContact O-N 3.22Å; I79-R81 VanDerWaalsContact C-N 3.33Å; I79-R81 PolarHBondContact O-N 3.09Å; I79-K82 PolarHBondContact O-N 3.18Å; I79-H83 PolarHBondContact O-CD2 3.21Å; I79-H83 PolarHBondContact O-N 3.45Å
80	I	91.5	Very high	92	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.015	22%	0.215	C	C	.	.	H	α-helix	trans	-63.1	-42.9	179.2	-60.4	163.4	0	0	0	109.9	A27 I29 V58 V60 S76 L77 K82 H83 G84 L106 F110 I276	A27-I80 HydrophobicContact CB-CB 4.49Å; A27-I80 HydrophobicContact CB-CG1 3.89Å; I29-I80 HydrophobicContact CD1-CD1 3.95Å; V58-I80 HydrophobicContact CG1-CD1 4.11Å; V58-I80 HydrophobicContact CG1-CG1 4.25Å; V58-I80 HydrophobicContact CG2-CG1 4.32Å; V60-I80 HydrophobicContact CG1-CD1 4.46Å; S76-I80 WeakPolarHBondContact O-CG1 3.47Å; S76-I80 PolarHBondContact O-N 2.87Å; L77-I80 PolarHBondContact O-N 2.94Å; I80-K82 PolarHBondContact O-N 2.82Å; I80-H83 PolarHBondContact O-N 2.85Å; I80-G84 WeakPolarHBondContact O-CA 3.34Å; I80-G84 PolarHBondContact O-N 2.84Å; I80-L106 HydrophobicContact CD1-CD2 3.94Å; I80-F110 HydrophobicContact CB-CE1 4.02Å; I80-F110 HydrophobicContact CB-CE2 3.96Å; I80-F110 HydrophobicContact CB-CZ 3.46Å; I80-F110 VanDerWaalsContact CB-CZ 3.46Å; I80-F110 HydrophobicContact CD1-CE2 4.12Å; I80-F110 HydrophobicContact CD1-CZ 4.29Å; I80-F110 HydrophobicContact CG1-CZ 4.49Å; I80-F110 HydrophobicContact CG2-CD1 4.21Å; I80-F110 HydrophobicContact CG2-CD2 4.02Å; I80-F110 HydrophobicContact CG2-CE1 3.69Å; I80-F110 HydrophobicContact CG2-CE2 3.49Å; I80-F110 VanDerWaalsContact CG2-CE2 3.49Å; I80-F110 HydrophobicContact CG2-CG 4.38Å; I80-F110 HydrophobicContact CG2-CZ 3.33Å; I80-I276 HydrophobicContact CG2-CD1 4.2Å
81	R	91	Very high	92.5	Very high	120 Å²	120	40.2 Å²	40.2	45%	0.453	20%	0.197	S	C	.	.	H	α-helix	trans	-63	-40.7	177.7	-163	-178.1	-62.5	124.5	-3.5	112.3	L77 D78 I79 H83 E109 F110	L77-R81 VanDerWaalsContact O-CB 3.3Å; L77-R81 WeakPolarHBondContact O-CB 3.17Å; L77-R81 PolarHBondContact O-N 3.47Å; D78-R81 PolarHBondContact O-N 2.86Å; D78-R81 IonicContact OD1-CZ 3.95Å; D78-R81 IonicContact OD1-NH1 2.69Å; D78-R81 PolarHBondContact OD1-NH1 3.49Å; I79-R81 VanDerWaalsContact C-N 3.33Å; I79-R81 PolarHBondContact O-N 3.09Å; R81-H83 VanDerWaalsContact C-N 3.33Å; R81-H83 PolarHBondContact O-N 3.39Å; R81-E109 IonicContact CZ-OE1 2.66Å; R81-E109 IonicContact NH2-OE1 3.97Å; R81-E109 PolarHBondContact NH2-OE1 2.66Å; R81-F110 HydrophobicContact CB-CE1 3.92Å; R81-F110 HydrophobicContact CG-CE1 4.48Å
82	K	92.6	Very high	92.6	Very high	152 Å²	152	37 Å²	37	66%	0.661	19%	0.194	S	C	*	.	H	α-helix	trans	-61.5	-40.6	179.7	176.4	-175.4	174.7	-171.4	0	112	D78 I79 I80	D78-K82 WeakPolarHBondContact O-CB 3.49Å; D78-K82 PolarHBondContact O-N 3.44Å; I79-K82 PolarHBondContact O-N 3.18Å; I80-K82 PolarHBondContact O-N 2.82Å
83	H	91.6	Very high	92	Very high	42 Å²	42	38.9 Å²	38.9	19%	0.194	21%	0.207	C	C	.	.	H	α-helix	trans	-95.4	-25.8	-175.3	-61.8	-51.7	0	0	0	113.7	T25 E56 I79 I80 R81 I85	T25-H83 VanDerWaalsContact CB-CE1 3.45Å; T25-H83 WeakPolarHBondContact CB-CE1 3.47Å; T25-H83 VanDerWaalsContact CG2-CE1 3.45Å; T25-H83 WeakPolarHBondContact CG2-CE1 3.36Å; T25-H83 WeakPolarHBondContact CG2-NE2 3.47Å; E56-H83 IonicContact OE2-CD2 3.74Å; E56-H83 IonicContact OE2-CE1 2.7Å; E56-H83 IonicContact OE2-NE2 3.44Å; E56-H83 PolarHBondContact OE2-NE2 3.15Å; I79-H83 PolarHBondContact O-CD2 3.21Å; I79-H83 PolarHBondContact O-N 3.45Å; I80-H83 PolarHBondContact O-N 2.85Å; R81-H83 VanDerWaalsContact C-N 3.33Å; R81-H83 PolarHBondContact O-N 3.39Å; H83-I85 PolarHBondContact O-N 3.47Å
84	G	92.8	Very high	91.2	Very high	17 Å²	17	40.6 Å²	40.6	18%	0.175	22%	0.218	C	C	.	.			trans	69.6	-8.2	178.6	0	0	0	0	0	115	I80 G274 A275	I80-G84 WeakPolarHBondContact O-CA 3.34Å; I80-G84 PolarHBondContact O-N 2.84Å; G84-G274 CarbonylContact O-C 3.58Å; G84-G274 WeakPolarHBondContact O-CA 3.4Å; G84-A275 PolarHBondContact O-N 2.75Å
85	I	95.8	Very high	90	Very high	21 Å²	21	44 Å²	44	11%	0.108	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129.9	-178.1	-56.3	180	0	0	0	109	V26 A27 H83 A275 M305 Y308 M309	V26-I85 HydrophobicContact CG1-CG2 4.3Å; V26-I85 HydrophobicContact CG2-CG2 4.33Å; A27-I85 PolarHBondContact N-O 3.47Å; H83-I85 PolarHBondContact O-N 3.47Å; I85-A275 CarbonylContact C-O 3.28Å; I85-A275 WeakPolarHBondContact CA-O 3.46Å; I85-M305 HydrophobicContact CG2-CG 3.67Å; I85-M305 HydrophobicContact CG2-SD 3.89Å; I85-Y308 HydrophobicContact CD1-CD1 4.07Å; I85-Y308 HydrophobicContact CD1-CE1 4.03Å; I85-Y308 HydrophobicContact CG1-CE1 4.2Å; I85-M309 HydrophobicContact CD1-CG 3.58Å; I85-M309 HydrophobicContact CD1-SD 4.18Å; I85-M309 HydrophobicContact CG2-SD 4.22Å
86	G	96.6	Very high	88.7	Confident	2 Å²	2	44.1 Å²	44.1	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152	177.2	0	0	0	0	0	114.4	A27 A275 I276 F277	A27-G86 CarbonylContact O-C 3.51Å; A27-G86 WeakPolarHBondContact O-CA 2.99Å; G86-A275 PolarHBondContact N-O 3.32Å; G86-I276 WeakPolarHBondContact O-CA 3.43Å; G86-F277 PolarHBondContact O-N 2.83Å
87	L	97.9	Very high	87	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135	165.5	-176.5	68.8	0	0	0	108.3	A27 L28 I29 V42 W55 F277 L298 A302 M305	A27-L87 PolarHBondContact O-N 2.85Å; L28-L87 WeakPolarHBondContact CA-O 3.47Å; L28-L87 HydrophobicContact CD1-CB 4.23Å; L28-L87 HydrophobicContact CD1-CD2 4.21Å; L28-L87 HydrophobicContact CD1-CG 4.37Å; I29-L87 PolarHBondContact N-O 3.35Å; V42-L87 HydrophobicContact CG1-CD2 3.82Å; W55-L87 HydrophobicContact CH2-CB 4.32Å; W55-L87 HydrophobicContact CH2-CD2 3.68Å; W55-L87 HydrophobicContact CZ3-CB 3.94Å; W55-L87 HydrophobicContact CZ3-CD2 4.06Å; L87-F277 CarbonylContact C-O 3.59Å; L87-F277 WeakPolarHBondContact CA-O 3.24Å; L87-F277 HydrophobicContact CD1-CB 4.01Å; L87-L298 HydrophobicContact CD1-CD1 3.66Å; L87-L298 HydrophobicContact CD1-CG 4.3Å; L87-L298 HydrophobicContact CD2-CD1 4.4Å; L87-L298 HydrophobicContact CD2-CG 4.35Å; L87-L298 HydrophobicContact CG-CD1 3.91Å; L87-L298 HydrophobicContact CG-CG 4.39Å; L87-A302 HydrophobicContact CD1-CB 3.9Å; L87-A302 HydrophobicContact CD2-CB 3.78Å; L87-M305 HydrophobicContact CB-SD 4.12Å
88	K	96.6	Very high	85.5	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.017	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	124.8	-171	167.1	169.1	158.2	-96.9	0	112.5	I29 L91 N103 L106 I276 F277 E278 S279 L298	I29-K88 HydrophobicContact CB-CB 4Å; I29-K88 HydrophobicContact CB-CD 4.47Å; I29-K88 HydrophobicContact CB-CG 4.04Å; I29-K88 HydrophobicContact CD1-CB 4.2Å; I29-K88 HydrophobicContact CD1-CD 3.93Å; I29-K88 HydrophobicContact CD1-CG 4.31Å; I29-K88 HydrophobicContact CG2-CD 4.37Å; I29-K88 HydrophobicContact CG2-CG 4.14Å; I29-K88 WeakPolarHBondContact O-CA 3.49Å; K88-L91 HydrophobicContact CD-CD1 4.06Å; K88-L91 HydrophobicContact CD-CG 4.42Å; K88-L91 VanDerWaalsContact CE-CG 3.41Å; K88-N103 WeakPolarHBondContact CE-OD1 3.31Å; K88-N103 PolarHBondContact NZ-OD1 3.46Å; K88-L106 HydrophobicContact CD-CD1 3.76Å; K88-I276 HydrophobicContact CB-CG2 3.92Å; K88-I276 HydrophobicContact CD-CG2 4.47Å; K88-F277 PolarHBondContact N-O 3.46Å; K88-E278 HydrophobicContact CB-CB 4.31Å; K88-E278 HydrophobicContact CG-CB 4.48Å; K88-E278 IonicContact NZ-OE2 3.88Å; K88-E278 PolarHBondContact NZ-OE2 3.14Å; K88-E278 VanDerWaalsContact O-CA 3.29Å; K88-E278 WeakPolarHBondContact O-CA 3.34Å; K88-S279 PolarHBondContact O-N 2.97Å; K88-L298 VanDerWaalsContact O-CD1 3.25Å; K88-L298 WeakPolarHBondContact O-CD1 3.49Å
89	G	96.1	Very high	84.2	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.309	C	S	.	.			trans	-71	174.2	165.4	0	0	0	0	0	112.9	I29	I29-G89 PolarHBondContact O-N 3.05Å
90	P	94.2	Very high	83.2	Confident	5 Å²	5	60.4 Å²	60.4	3%	0.032	34%	0.335	C	S	.	.			trans	-63.9	140.4	-178.2	28.9	-35.7	0	0	0	110.7	G31 D32 I34 S279 H281 G282 T283	G31-P90 CarbonylContact C-O 3.58Å; G31-P90 WeakPolarHBondContact CA-O 3.43Å; D32-P90 PolarHBondContact N-O 3.47Å; I34-P90 HydrophobicContact CG1-CG 4.33Å; P90-S279 VanDerWaalsContact CD-OG 3.32Å; P90-S279 WeakPolarHBondContact CD-OG 3.22Å; P90-H281 WeakPolarHBondContact CB-O 3.41Å; P90-G282 WeakPolarHBondContact CB-O 3.47Å; P90-T283 HydrophobicContact CB-CG2 3.98Å; P90-T283 HydrophobicContact CG-CG2 4.32Å
91	L	91.9	Very high	82.7	Confident	18 Å²	18	62.1 Å²	62.1	9%	0.094	35%	0.347	C	S	.	.			trans	-112.7	135.6	173.7	-68.6	178.3	0	0	0	110.6	I29 D32 V60 K88 L102 L106	I29-L91 HydrophobicContact CG2-CD2 4.24Å; D32-L91 WeakPolarHBondContact OD2-CA 3.29Å; V60-L91 HydrophobicContact CG2-CD1 3.79Å; V60-L91 HydrophobicContact CG2-CD2 3.79Å; V60-L91 HydrophobicContact CG2-CG 4.48Å; K88-L91 HydrophobicContact CD-CD1 4.06Å; K88-L91 HydrophobicContact CD-CG 4.42Å; K88-L91 VanDerWaalsContact CE-CG 3.41Å; L91-L102 HydrophobicContact CB-CD1 4.49Å; L91-L102 HydrophobicContact CD1-CB 3.56Å; L91-L102 HydrophobicContact CD1-CD1 3.98Å; L91-L102 HydrophobicContact CD1-CG 4.41Å; L91-L106 HydrophobicContact CD1-CD1 4.31Å
92	A	85.8	Confident	82.4	Confident	44 Å²	44	56.8 Å²	56.8	36%	0.364	33%	0.327	S	S	.	.			trans	-69.7	139.7	172	0	0	0	0	0	110.1	D32 T283	D32-A92 HydrophobicContact CB-CB 4.28Å; D32-A92 PolarHBondContact OD2-N 3.4Å; A92-T283 HydrophobicContact CB-CG2 4.18Å
93	T	77.7	Confident	82.1	Confident	62 Å²	62	51.1 Å²	51.1	38%	0.38	30%	0.304	S	S	.	.			trans	-123.6	121.3	169.1	-59.4	0	0	0	0	108.1
94	P	72.8	Confident	81.7	Confident	56 Å²	56	50.6 Å²	50.6	36%	0.364	30%	0.303	S	S	.	.			trans	-65.7	141.3	177.4	26.4	-32.4	0	0	0	110.6	H99	P94-H99 VanDerWaalsContact CD-CE1 3.43Å; P94-H99 WeakPolarHBondContact CD-CE1 3.14Å; P94-H99 VanDerWaalsContact CD-NE2 3.31Å; P94-H99 WeakPolarHBondContact CD-NE2 3.16Å
95	I	65.4	Low	81.4	Confident	175 Å²	175	51.2 Å²	51.2	90%	0.897	31%	0.306	S	S	*	.	S	Bend	trans	-83.3	125.5	174.7	-59.2	172.9	0	0	0	108.6
96	G	64.3	Low	81.1	Confident	77 Å²	77	50.4 Å²	50.4	79%	0.794	30%	0.302	S	S	*	.	S	Bend	trans	90.3	-118.2	175.9	0	0	0	0	0	113.5
97	K	56.5	Low	80.8	Confident	210 Å²	210	51.6 Å²	51.6	91%	0.913	31%	0.306	S	S	*	.	S	Bend	trans	-76.5	131	-177.7	-66.2	-176.9	-179.8	179.6	0	110.2
98	G	60.6	Low	80.3	Confident	59 Å²	59	56.5 Å²	56.5	61%	0.608	33%	0.327	S	S	*	.	S	Bend	trans	157.7	-155.7	178.8	0	0	0	0	0	112.9
99	H	64.8	Low	79.7	Confident	45 Å²	45	60.5 Å²	60.5	21%	0.208	35%	0.346	C	S	.	.	S	Bend	trans	-76.7	154.7	173.1	62.2	84.7	0	0	0	111.2	P62 F70 P94	P62-H99 HydrophobicContact CB-CB 4.16Å; P62-H99 HydrophobicContact CG-CB 4.07Å; F70-H99 HydrophobicContact CB-CB 3.83Å; P94-H99 VanDerWaalsContact CD-CE1 3.43Å; P94-H99 WeakPolarHBondContact CD-CE1 3.14Å; P94-H99 VanDerWaalsContact CD-NE2 3.31Å; P94-H99 WeakPolarHBondContact CD-NE2 3.16Å
100	Q	71	Confident	79.4	Confident	156 Å²	156	61.5 Å²	61.5	73%	0.729	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-59.5	154.7	168	-67.7	-175.8	-43.4	0	0	110.4	L102	Q100-L102 PolarHBondContact O-N 2.94Å; Q100-L102 VanDerWaalsContact O-N 3.07Å
101	S	80.1	Confident	79.3	Confident	38 Å²	38	64.2 Å²	64.2	27%	0.266	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-48.3	118.8	173.8	170.7	0	0	0	0	110.7	N103 L104 A105	S101-N103 PolarHBondContact O-N 2.95Å; S101-N103 PolarHBondContact OG-N 3.37Å; S101-L104 PolarHBondContact O-N 3.4Å; S101-L104 VanDerWaalsContact O-N 3.14Å; S101-L104 PolarHBondContact OG-N 3.02Å; S101-A105 PolarHBondContact O-N 3.12Å
102	L	85	Confident	79.5	Confident	8 Å²	8	63.4 Å²	63.4	4%	0.042	36%	0.36	C	S	.	.	H	α-helix	trans	-61.6	-34.2	178.4	-71.6	172.3	0	0	0	111.2	P62 M72 L91 Q100 A105 L106	P62-L102 HydrophobicContact CG-CD1 4.02Å; P62-L102 HydrophobicContact CG-CD2 3.45Å; P62-L102 VanDerWaalsContact CG-CD2 3.45Å; P62-L102 HydrophobicContact CG-CG 4.07Å; M72-L102 HydrophobicContact CG-CD2 3.62Å; M72-L102 HydrophobicContact SD-CD2 4.02Å; L91-L102 HydrophobicContact CB-CD1 4.49Å; L91-L102 HydrophobicContact CD1-CB 3.56Å; L91-L102 HydrophobicContact CD1-CD1 3.98Å; L91-L102 HydrophobicContact CD1-CG 4.41Å; Q100-L102 PolarHBondContact O-N 2.94Å; Q100-L102 VanDerWaalsContact O-N 3.07Å; L102-A105 PolarHBondContact O-N 2.96Å; L102-L106 WeakPolarHBondContact O-CG 3.44Å; L102-L106 PolarHBondContact O-N 3.24Å
103	N	86.4	Confident	80	Confident	33 Å²	33	62.5 Å²	62.5	18%	0.176	35%	0.348	C	S	.	.	H	α-helix	trans	-60.2	-48.3	175.3	-56.1	-38.3	0	0	0	110.4	K88 S101 R107	K88-N103 WeakPolarHBondContact CE-OD1 3.31Å; K88-N103 PolarHBondContact NZ-OD1 3.46Å; S101-N103 PolarHBondContact O-N 2.95Å; S101-N103 PolarHBondContact OG-N 3.37Å; N103-R107 WeakPolarHBondContact O-CD 3.43Å; N103-R107 WeakPolarHBondContact O-CG 3.36Å; N103-R107 PolarHBondContact O-N 2.77Å; N103-R107 VanDerWaalsContact O-N 3.07Å
104	L	84.3	Confident	81	Confident	32 Å²	32	59.6 Å²	59.6	17%	0.168	33%	0.33	C	S	.	.	H	α-helix	trans	-65.4	-40.1	177.8	-174.3	60.8	0	0	0	111.6	S101 R107 K108	S101-L104 PolarHBondContact O-N 3.4Å; S101-L104 VanDerWaalsContact O-N 3.14Å; S101-L104 PolarHBondContact OG-N 3.02Å; L104-R107 PolarHBondContact O-N 3.19Å; L104-K108 HydrophobicContact CD1-CD 4.48Å; L104-K108 HydrophobicContact CD1-CG 4.46Å; L104-K108 HydrophobicContact CG-CD 4.28Å; L104-K108 WeakPolarHBondContact O-CG 3.44Å; L104-K108 PolarHBondContact O-N 3.3Å
105	A	85.3	Confident	82.2	Confident	29 Å²	29	56.9 Å²	56.9	24%	0.24	31%	0.312	C	S	.	.	H	α-helix	trans	-62.9	-46.6	178.5	0	0	0	0	0	112	M72 S101 L102 R107 K108 E109	M72-A105 HydrophobicContact CE-CB 3.59Å; S101-A105 PolarHBondContact O-N 3.12Å; L102-A105 PolarHBondContact O-N 2.96Å; A105-R107 PolarHBondContact O-N 3.08Å; A105-K108 PolarHBondContact O-N 3Å; A105-E109 VanDerWaalsContact O-CB 3.31Å; A105-E109 WeakPolarHBondContact O-CB 2.99Å; A105-E109 PolarHBondContact O-N 2.85Å
106	L	90	Very high	83.8	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-60.7	-43.9	174.9	-71.7	169.7	0	0	0	111.6	I29 M72 L77 I80 K88 L91 L102 K108 E109 F110 I276	I29-L106 HydrophobicContact CD1-CD1 3.93Å; M72-L106 HydrophobicContact CE-CD2 3.91Å; M72-L106 HydrophobicContact CE-CG 4.02Å; M72-L106 HydrophobicContact SD-CD2 3.7Å; M72-L106 HydrophobicContact SD-CG 3.94Å; L77-L106 HydrophobicContact CD2-CD2 4.36Å; I80-L106 HydrophobicContact CD1-CD2 3.94Å; K88-L106 HydrophobicContact CD-CD1 3.76Å; L91-L106 HydrophobicContact CD1-CD1 4.31Å; L102-L106 WeakPolarHBondContact O-CG 3.44Å; L102-L106 PolarHBondContact O-N 3.24Å; L106-K108 VanDerWaalsContact C-N 3.35Å; L106-K108 PolarHBondContact O-N 3.42Å; L106-E109 PolarHBondContact O-N 2.95Å; L106-F110 HydrophobicContact CD2-CD2 4.35Å; L106-F110 HydrophobicContact CD2-CE2 3.83Å; L106-F110 WeakPolarHBondContact O-CD2 2.84Å; L106-F110 PolarHBondContact O-N 3.44Å; L106-F110 VanDerWaalsContact O-N 3.09Å; L106-I276 HydrophobicContact CB-CD1 4.35Å
107	R	90.2	Very high	85.3	Confident	27 Å²	27	45.7 Å²	45.7	10%	0.102	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-41.9	178.7	-70.5	162.7	-179.1	-178.1	12.2	112.3	N103 L104 A105 N111 L112 N140 N269 E278	N103-R107 WeakPolarHBondContact O-CD 3.43Å; N103-R107 WeakPolarHBondContact O-CG 3.36Å; N103-R107 PolarHBondContact O-N 2.77Å; N103-R107 VanDerWaalsContact O-N 3.07Å; L104-R107 PolarHBondContact O-N 3.19Å; A105-R107 PolarHBondContact O-N 3.08Å; R107-N111 CarbonylContact O-C 3.53Å; R107-N111 WeakPolarHBondContact O-CA 3.48Å; R107-N111 PolarHBondContact O-N 3.43Å; R107-L112 PolarHBondContact O-N 3.3Å; R107-N140 WeakPolarHBondContact CD-ND2 3.27Å; R107-N140 WeakPolarHBondContact CD-OD1 3.36Å; R107-N140 WeakPolarHBondContact CG-ND2 3.47Å; R107-N140 PolarHBondContact NE-ND2 3.46Å; R107-N140 PolarHBondContact NH1-OD1 3.46Å; R107-N269 PolarHBondContact NE-OD1 2.99Å; R107-N269 VanDerWaalsContact NE-OD1 3.13Å; R107-E278 IonicContact CZ-OE1 3.95Å; R107-E278 IonicContact NE-OE1 3.05Å; R107-E278 IonicContact NH2-OE1 3.45Å; R107-E278 PolarHBondContact NH2-OE1 3.45Å
108	K	86.6	Confident	87.3	Confident	105 Å²	105	36.8 Å²	36.8	46%	0.457	20%	0.199	S	C	.	.	H	α-helix	trans	-68.4	-48.8	177.3	-74	-177.6	177.9	-177	0	111.8	L104 A105 L106 F110 N111	L104-K108 HydrophobicContact CD1-CD 4.48Å; L104-K108 HydrophobicContact CD1-CG 4.46Å; L104-K108 HydrophobicContact CG-CD 4.28Å; L104-K108 WeakPolarHBondContact O-CG 3.44Å; L104-K108 PolarHBondContact O-N 3.3Å; A105-K108 PolarHBondContact O-N 3Å; L106-K108 VanDerWaalsContact C-N 3.35Å; L106-K108 PolarHBondContact O-N 3.42Å; K108-F110 VanDerWaalsContact C-N 3.26Å; K108-F110 PolarHBondContact O-N 3.15Å; K108-N111 PolarHBondContact O-N 3.25Å
109	E	85.8	Confident	89	Confident	87 Å²	87	34 Å²	34	41%	0.407	17%	0.17	S	C	.	.	H	α-helix	trans	-59.1	-38.3	-177.9	-176.5	61.7	-157.9	0	0	112.2	L77 R81 A105 L106	L77-E109 HydrophobicContact CD1-CG 4.27Å; L77-E109 HydrophobicContact CD2-CG 4.15Å; R81-E109 IonicContact CZ-OE1 2.66Å; R81-E109 IonicContact NH2-OE1 3.97Å; R81-E109 PolarHBondContact NH2-OE1 2.66Å; A105-E109 VanDerWaalsContact O-CB 3.31Å; A105-E109 WeakPolarHBondContact O-CB 2.99Å; A105-E109 PolarHBondContact O-N 2.85Å; L106-E109 PolarHBondContact O-N 2.95Å
110	F	89.8	Confident	90.5	Very high	21 Å²	21	37.7 Å²	37.7	9%	0.092	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	9.6	-178.6	-60.9	-67.8	0	0	0	113.9	L77 I80 R81 L106 K108 L112 I276	L77-F110 HydrophobicContact CD2-CE2 4.18Å; L77-F110 HydrophobicContact CD2-CZ 4.19Å; I80-F110 HydrophobicContact CB-CE1 4.02Å; I80-F110 HydrophobicContact CB-CE2 3.96Å; I80-F110 HydrophobicContact CB-CZ 3.46Å; I80-F110 VanDerWaalsContact CB-CZ 3.46Å; I80-F110 HydrophobicContact CD1-CE2 4.12Å; I80-F110 HydrophobicContact CD1-CZ 4.29Å; I80-F110 HydrophobicContact CG1-CZ 4.49Å; I80-F110 HydrophobicContact CG2-CD1 4.21Å; I80-F110 HydrophobicContact CG2-CD2 4.02Å; I80-F110 HydrophobicContact CG2-CE1 3.69Å; I80-F110 HydrophobicContact CG2-CE2 3.49Å; I80-F110 VanDerWaalsContact CG2-CE2 3.49Å; I80-F110 HydrophobicContact CG2-CG 4.38Å; I80-F110 HydrophobicContact CG2-CZ 3.33Å; R81-F110 HydrophobicContact CB-CE1 3.92Å; R81-F110 HydrophobicContact CG-CE1 4.48Å; L106-F110 HydrophobicContact CD2-CD2 4.35Å; L106-F110 HydrophobicContact CD2-CE2 3.83Å; L106-F110 WeakPolarHBondContact O-CD2 2.84Å; L106-F110 PolarHBondContact O-N 3.44Å; L106-F110 VanDerWaalsContact O-N 3.09Å; K108-F110 VanDerWaalsContact C-N 3.26Å; K108-F110 PolarHBondContact O-N 3.15Å; F110-L112 HydrophobicContact CB-CD1 4.1Å; F110-L112 HydrophobicContact CB-CD2 3.89Å; F110-L112 HydrophobicContact CB-CG 3.71Å; F110-L112 PolarHBondContact O-N 3.03Å; F110-L112 VanDerWaalsContact O-N 3.16Å; F110-I276 HydrophobicContact CD2-CD1 3.95Å; F110-I276 HydrophobicContact CE2-CD1 4.46Å
111	N	91.7	Very high	91.7	Very high	62 Å²	62	31.8 Å²	31.8	33%	0.332	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.4	44.7	-177.5	-169.2	31.8	0	0	0	112.9	R107 K108 Y113 R170 G271	R107-N111 CarbonylContact O-C 3.53Å; R107-N111 WeakPolarHBondContact O-CA 3.48Å; R107-N111 PolarHBondContact O-N 3.43Å; K108-N111 PolarHBondContact O-N 3.25Å; N111-Y113 VanDerWaalsContact C-N 3.26Å; N111-Y113 PolarHBondContact O-N 2.8Å; N111-R170 PolarHBondContact OD1-NH1 3.05Å; N111-G271 WeakPolarHBondContact O-CA 3.14Å
112	L	95.8	Very high	92.3	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	15%	0.152	C	C	.	.			trans	-80.3	74.9	-177.1	-54.8	176	0	0	0	110.2	R107 F110 N140 N269 I270 G274 I276	R107-L112 PolarHBondContact O-N 3.3Å; F110-L112 HydrophobicContact CB-CD1 4.1Å; F110-L112 HydrophobicContact CB-CD2 3.89Å; F110-L112 HydrophobicContact CB-CG 3.71Å; F110-L112 PolarHBondContact O-N 3.03Å; F110-L112 VanDerWaalsContact O-N 3.16Å; L112-N140 WeakPolarHBondContact O-CB 3.17Å; L112-N140 PolarHBondContact O-ND2 3.44Å; L112-N269 HydrophobicContact CB-CB 3.79Å; L112-N269 HydrophobicContact CD1-CB 3.83Å; L112-N269 HydrophobicContact CG-CB 4.39Å; L112-I270 CarbonylContact C-O 3.5Å; L112-I270 VanDerWaalsContact C-O 3.3Å; L112-G274 WeakPolarHBondContact CD2-O 3.47Å; L112-I276 HydrophobicContact CD1-CB 3.79Å; L112-I276 HydrophobicContact CD1-CD1 3.68Å; L112-I276 HydrophobicContact CD1-CG1 3.66Å
113	Y	96.4	Very high	92.4	Very high	25 Å²	25	36.4 Å²	36.4	10%	0.098	18%	0.179	C	C	.	.			trans	-76.9	-22.3	-163.9	69.3	-95.6	0	0	0	115.8	N111 N140 R170 F174 I270 E272	N111-Y113 VanDerWaalsContact C-N 3.26Å; N111-Y113 PolarHBondContact O-N 2.8Å; Y113-N140 WeakPolarHBondContact O-CB 3.25Å; Y113-N140 PolarHBondContact O-N 2.82Å; Y113-R170 HydrophobicContact CD2-CB 4.24Å; Y113-R170 HydrophobicContact CD2-CG 3.65Å; Y113-R170 HydrophobicContact CE2-CB 3.98Å; Y113-R170 HydrophobicContact CE2-CG 3.91Å; Y113-R170 HydrophobicContact CG-CG 4.12Å; Y113-F174 HydrophobicContact CE2-CB 4.09Å; Y113-F174 HydrophobicContact CE2-CG 4.49Å; Y113-I270 PolarHBondContact N-O 3.49Å; Y113-E272 HydrophobicContact CE1-CG 3.91Å
114	A	98	Very high	92.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.4	179	0	0	0	0	0	109.9	F174 I270	A114-F174 HydrophobicContact CB-CB 4.48Å; A114-F174 HydrophobicContact CB-CD1 3.75Å; A114-F174 HydrophobicContact CB-CD2 4.22Å; A114-F174 HydrophobicContact CB-CE1 4.06Å; A114-F174 HydrophobicContact CB-CE2 4.46Å; A114-F174 HydrophobicContact CB-CG 3.86Å; A114-F174 HydrophobicContact CB-CZ 4.39Å; A114-I270 PolarHBondContact N-O 2.94Å; A114-I270 PolarHBondContact O-N 3.4Å
115	N	98	Very high	92.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	123.2	166.9	-179.5	-90.3	0	0	0	109.2	V137 R138 N140 S267 G268 N269	N115-V137 CarbonylContact O-C 3.47Å; N115-V137 WeakPolarHBondContact O-CA 3.16Å; N115-R138 HydrophobicContact CB-CB 4.13Å; N115-R138 HydrophobicContact CB-CG 4.48Å; N115-R138 PolarHBondContact N-O 3.41Å; N115-R138 PolarHBondContact O-N 3.27Å; N115-N140 HydrophobicContact CB-CB 4.38Å; N115-S267 PolarHBondContact ND2-OG 2.86Å; N115-S267 PolarHBondContact OD1-OG 2.87Å; N115-G268 CarbonylContact C-O 3.53Å; N115-G268 WeakPolarHBondContact CA-O 3.26Å; N115-N269 PolarHBondContact ND2-OD1 3.01Å
116	V	98.4	Very high	92.7	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.7	179.1	-171.2	0	0	0	0	108.7	V135 T136 F174 Y178 S267 G268 I270 M304	V116-V135 HydrophobicContact CG1-CG1 3.67Å; V116-T136 WeakPolarHBondContact CA-O 3.43Å; V116-F174 HydrophobicContact CG2-CD1 4.47Å; V116-F174 HydrophobicContact CG2-CE1 3.31Å; V116-F174 HydrophobicContact CG2-CZ 3.55Å; V116-Y178 HydrophobicContact CG1-CD2 4.38Å; V116-Y178 HydrophobicContact CG1-CE2 3.84Å; V116-S267 WeakPolarHBondContact O-CA 3.47Å; V116-G268 PolarHBondContact N-O 3.42Å; V116-G268 PolarHBondContact O-N 3.41Å; V116-I270 HydrophobicContact CG2-CG1 4.13Å; V116-M304 HydrophobicContact CB-CE 4.39Å; V116-M304 HydrophobicContact CG1-CE 4.36Å
117	R	97.8	Very high	92.8	Very high	12 Å²	12	45.4 Å²	45.4	5%	0.045	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	93.7	178.7	-156.4	-173.4	-67.5	-167.1	-8.4	110.9	T136 S252 D253 T265 P266 V280	R117-T136 WeakPolarHBondContact CB-OG1 3.28Å; R117-T136 PolarHBondContact N-O 3.19Å; R117-T136 PolarHBondContact O-N 3.42Å; R117-T136 PolarHBondContact O-OG1 2.82Å; R117-S252 PolarHBondContact NE-OG 2.69Å; R117-S252 PolarHBondContact NH1-O 2.96Å; R117-S252 PolarHBondContact NH1-OG 3.07Å; R117-S252 VanDerWaalsContact NH1-OG 3.07Å; R117-D253 IonicContact CZ-OD1 3.78Å; R117-D253 IonicContact NH1-OD1 3.27Å; R117-D253 PolarHBondContact NH1-OD1 3.15Å; R117-D253 IonicContact NH2-OD1 2.62Å; R117-T265 HydrophobicContact CG-CG2 3.64Å; R117-P266 WeakPolarHBondContact CG-O 2.96Å; R117-V280 HydrophobicContact CG-CG1 4.44Å
118	P	97.3	Very high	92.9	Very high	24 Å²	24	50.1 Å²	50.1	16%	0.156	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	132.2	169.7	-18.2	32.5	0	0	0	110.8	V135 M304	P118-V135 HydrophobicContact CB-CG2 4.23Å; P118-V135 HydrophobicContact CG-CG1 4.47Å; P118-M304 HydrophobicContact CG-CE 4.03Å; P118-M304 HydrophobicContact CG-SD 4.01Å
119	C	96.7	Very high	93.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	98.5	174.3	-63.8	0	0	0	0	107.6	L134 A255 I259	C119-L134 HydrophobicContact CB-CD1 4.24Å; C119-L134 HydrophobicContact CB-CG 4.25Å; C119-L134 PolarHBondContact N-O 3.21Å; C119-L134 PolarHBondContact O-N 2.85Å; C119-A255 HydrophobicContact CB-CB 3.94Å; C119-A255 WeakPolarHBondContact SG-CB 3.44Å; C119-I259 HydrophobicContact CB-CD1 4.31Å; C119-I259 HydrophobicContact CB-CG2 4.3Å
120	K	96.1	Very high	93.6	Very high	123 Å²	123	50.6 Å²	50.6	54%	0.535	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.2	-177.1	-173.1	173.4	-179	170.1	0	110.8	I122 V132 D133	K120-I122 PolarHBondContact O-N 2.78Å; K120-V132 CarbonylContact C-O 3.42Å; K120-V132 VanDerWaalsContact CA-O 3.26Å; K120-V132 WeakPolarHBondContact CA-O 3.23Å; K120-D133 HydrophobicContact CG-CB 4.3Å; K120-D133 IonicContact NZ-OD2 2.76Å
121	S	95.7	Very high	93.8	Very high	31 Å²	31	56 Å²	56	22%	0.217	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-57.4	133.2	172.1	-70.8	0	0	0	0	110.1	N131 V132	S121-N131 PolarHBondContact OG-N 3.38Å; S121-V132 PolarHBondContact N-O 2.84Å; S121-V132 WeakPolarHBondContact OG-CB 3.39Å; S121-V132 WeakPolarHBondContact OG-CG2 3.21Å; S121-V132 PolarHBondContact OG-N 3.11Å
122	I	93.3	Very high	94.1	Very high	13 Å²	13	53.1 Å²	53.1	7%	0.067	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-93.4	124.1	178.6	-62.4	170.3	0	0	0	108.6	K120 G124 Y125 V264 F300 L323 I326	K120-I122 PolarHBondContact O-N 2.78Å; I122-G124 PolarHBondContact O-N 2.87Å; I122-Y125 PolarHBondContact O-N 3.4Å; I122-Y125 VanDerWaalsContact O-N 3.09Å; I122-V264 HydrophobicContact CD1-CB 3.79Å; I122-V264 HydrophobicContact CD1-CG1 4.14Å; I122-V264 HydrophobicContact CD1-CG2 4.18Å; I122-F300 HydrophobicContact CD1-CE2 3.8Å; I122-F300 HydrophobicContact CD1-CZ 4.2Å; I122-L323 HydrophobicContact CG1-CD2 4.39Å; I122-L323 HydrophobicContact CG2-CD2 3.77Å; I122-I326 HydrophobicContact CD1-CD1 4.18Å; I122-I326 HydrophobicContact CG2-CB 4.13Å; I122-I326 HydrophobicContact CG2-CD1 4.06Å; I122-I326 HydrophobicContact CG2-CG2 3.65Å
123	E	87.7	Confident	94.2	Very high	131 Å²	131	55.4 Å²	55.4	61%	0.612	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	130.3	176.7	-171.7	-170.2	144.5	0	0	110.6	Y125 R327	E123-Y125 VanDerWaalsContact C-N 3.28Å; E123-Y125 PolarHBondContact O-N 3.36Å; E123-R327 WeakPolarHBondContact OE1-CD 3.16Å; E123-R327 IonicContact OE1-CZ 2.82Å; E123-R327 IonicContact OE1-NE 2.84Å; E123-R327 IonicContact OE1-NH1 2.78Å; E123-R327 PolarHBondContact OE1-NH1 3.48Å; E123-R327 IonicContact OE2-NH1 3.3Å
124	G	84.5	Confident	94.2	Very high	51 Å²	51	54.2 Å²	54.2	53%	0.526	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	-2.8	-178.1	0	0	0	0	0	115.1	I122	I122-G124 PolarHBondContact O-N 2.87Å
125	Y	88.6	Confident	94.3	Very high	51 Å²	51	54.2 Å²	54.2	20%	0.2	28%	0.283	C	S	.	.			trans	-105.1	104.2	170.9	-169.6	-110.9	0	0	0	110.2	I122 E123 T127 I326 L336	I122-Y125 PolarHBondContact O-N 3.4Å; I122-Y125 VanDerWaalsContact O-N 3.09Å; E123-Y125 VanDerWaalsContact C-N 3.28Å; E123-Y125 PolarHBondContact O-N 3.36Å; Y125-T127 HydrophobicContact CD1-CG2 3.9Å; Y125-T127 HydrophobicContact CE1-CG2 4.01Å; Y125-T127 PolarHBondContact O-N 2.85Å; Y125-I326 HydrophobicContact CG-CG2 4.5Å; Y125-L336 HydrophobicContact CD2-CD2 4.38Å; Y125-L336 HydrophobicContact CE2-CB 4.21Å; Y125-L336 HydrophobicContact CE2-CD2 3.75Å
126	E	88.5	Confident	94.3	Very high	163 Å²	163	54.2 Å²	54.2	76%	0.762	28%	0.283	S	S	*	.			trans	-71	125.9	-176.5	-74.2	-107	138.5	0	0	111.4
127	T	92.1	Very high	94.3	Very high	22 Å²	22	54 Å²	54	14%	0.135	28%	0.281	C	S	.	.			trans	-132.4	167.1	167.7	86.7	0	0	0	0	109.2	Y125 Y129 L258	Y125-T127 HydrophobicContact CD1-CG2 3.9Å; Y125-T127 HydrophobicContact CE1-CG2 4.01Å; Y125-T127 PolarHBondContact O-N 2.85Å; T127-Y129 PolarHBondContact O-N 2.86Å; T127-Y129 VanDerWaalsContact O-N 3.07Å; T127-Y129 PolarHBondContact OG1-N 3.06Å; T127-Y129 VanDerWaalsContact OG1-N 3.13Å; T127-Y129 PolarHBondContact OG1-O 3.22Å; T127-L258 PolarHBondContact OG1-O 3.13Å
128	P	92.9	Very high	94.3	Very high	125 Å²	125	53.5 Å²	53.5	81%	0.812	28%	0.28	S	S	*	.	S	Bend	trans	-58.4	-17.7	173.3	-25.3	35.7	0	0	0	114.2
129	Y	95.1	Very high	94.4	Very high	63 Å²	63	52.6 Å²	52.6	25%	0.247	27%	0.273	C	S	.	.	S	Bend	trans	-114.7	131.5	-177.4	-61.3	-85	0	0	0	111	T127 V232 P235 L258	T127-Y129 PolarHBondContact O-N 2.86Å; T127-Y129 VanDerWaalsContact O-N 3.07Å; T127-Y129 PolarHBondContact OG1-N 3.06Å; T127-Y129 VanDerWaalsContact OG1-N 3.13Å; T127-Y129 PolarHBondContact OG1-O 3.22Å; Y129-V232 VanDerWaalsContact CE1-O 3.27Å; Y129-V232 WeakPolarHBondContact CE1-O 3.39Å; Y129-V232 WeakPolarHBondContact OH-CA 3.08Å; Y129-V232 PolarHBondContact OH-O 3.37Å; Y129-P235 HydrophobicContact CD1-CG 3.73Å; Y129-P235 HydrophobicContact CE1-CG 4.41Å; Y129-P235 HydrophobicContact CG-CG 4.31Å; Y129-L258 HydrophobicContact CD1-CD2 4.42Å; Y129-L258 HydrophobicContact CD2-CB 4.13Å; Y129-L258 HydrophobicContact CD2-CD2 3.71Å; Y129-L258 HydrophobicContact CE1-CD2 4.2Å; Y129-L258 HydrophobicContact CE2-CD2 3.45Å; Y129-L258 VanDerWaalsContact CE2-CD2 3.45Å; Y129-L258 HydrophobicContact CG-CB 4.37Å; Y129-L258 HydrophobicContact CG-CD2 4.19Å
130	K	91.7	Very high	94.3	Very high	140 Å²	140	52.7 Å²	52.7	61%	0.609	27%	0.274	S	S	*	.			trans	-109.1	146.7	178.7	-60.1	-171.8	178.3	-169.1	0	110.2	V132	K130-V132 VanDerWaalsContact C-N 3.26Å; K130-V132 PolarHBondContact O-N 3.13Å
131	N	93.8	Very high	94.1	Very high	135 Å²	135	47.9 Å²	47.9	72%	0.722	26%	0.255	S	S	*	.	S	Bend	trans	57.6	32.6	173.8	-49.5	-47.8	0	0	0	114.6	S121 D133	S121-N131 PolarHBondContact OG-N 3.38Å; N131-D133 PolarHBondContact O-N 2.99Å
132	V	97.3	Very high	94	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	25%	0.25	C	C	.	.			trans	-65.3	128.5	169.3	-171.3	0	0	0	0	107.8	K120 S121 K130 L134 P235 L258 I259	K120-V132 CarbonylContact C-O 3.42Å; K120-V132 VanDerWaalsContact CA-O 3.26Å; K120-V132 WeakPolarHBondContact CA-O 3.23Å; S121-V132 PolarHBondContact N-O 2.84Å; S121-V132 WeakPolarHBondContact OG-CB 3.39Å; S121-V132 WeakPolarHBondContact OG-CG2 3.21Å; S121-V132 PolarHBondContact OG-N 3.11Å; K130-V132 VanDerWaalsContact C-N 3.26Å; K130-V132 PolarHBondContact O-N 3.13Å; V132-L134 HydrophobicContact CG1-CD2 4.03Å; V132-L134 HydrophobicContact CG1-CG 4.37Å; V132-P235 HydrophobicContact CG1-CB 4.26Å; V132-P235 HydrophobicContact CG1-CG 4.49Å; V132-P235 HydrophobicContact CG2-CB 4.44Å; V132-P235 HydrophobicContact CG2-CG 3.79Å; V132-L258 HydrophobicContact CG1-CB 4.45Å; V132-L258 HydrophobicContact CG2-CB 4.24Å; V132-I259 HydrophobicContact CB-CG2 3.78Å; V132-I259 HydrophobicContact CG1-CG2 3.8Å; V132-I259 HydrophobicContact CG2-CG2 4.26Å
133	D	97.7	Very high	94.1	Very high	49 Å²	49	47 Å²	47	26%	0.262	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	82.9	170.1	-170.4	-18.1	0	0	0	108.5	K120 N131 R184	K120-D133 HydrophobicContact CG-CB 4.3Å; K120-D133 IonicContact NZ-OD2 2.76Å; N131-D133 PolarHBondContact O-N 2.99Å; D133-R184 IonicContact OD1-CZ 2.74Å; D133-R184 VanDerWaalsContact OD1-CZ 3.31Å; D133-R184 IonicContact OD1-NH1 3.87Å; D133-R184 PolarHBondContact OD1-NH1 2.84Å; D133-R184 IonicContact OD1-NH2 3.76Å; D133-R184 PolarHBondContact OD1-NH2 3.25Å; D133-R184 IonicContact OD2-NH2 3.99Å
134	L	98.1	Very high	94.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	157.8	178.3	71.9	89.5	0	0	0	110.7	C119 V132 T136 L231 P235 F238 D239 L241 A255	C119-L134 HydrophobicContact CB-CD1 4.24Å; C119-L134 HydrophobicContact CB-CG 4.25Å; C119-L134 PolarHBondContact N-O 3.21Å; C119-L134 PolarHBondContact O-N 2.85Å; V132-L134 HydrophobicContact CG1-CD2 4.03Å; V132-L134 HydrophobicContact CG1-CG 4.37Å; L134-T136 HydrophobicContact CD1-CG2 3.91Å; L134-L231 HydrophobicContact CD2-CD2 3.5Å; L134-L231 VanDerWaalsContact CD2-CD2 3.5Å; L134-P235 HydrophobicContact CD2-CB 4.33Å; L134-F238 HydrophobicContact CB-CB 4.41Å; L134-D239 CarbonylContact C-O 3.31Å; L134-D239 WeakPolarHBondContact CA-O 3.32Å; L134-D239 WeakPolarHBondContact CB-O 3.38Å; L134-L241 HydrophobicContact CD1-CD1 4.41Å; L134-A255 HydrophobicContact CD1-CB 3.9Å
135	V	98.5	Very high	94.6	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.4	177.8	-175.8	0	0	0	0	109	V116 P118 V137 Y178 D239 V240 L241	V116-V135 HydrophobicContact CG1-CG1 3.67Å; P118-V135 HydrophobicContact CB-CG2 4.23Å; P118-V135 HydrophobicContact CG-CG1 4.47Å; V135-V137 HydrophobicContact CG1-CG2 4.42Å; V135-Y178 HydrophobicContact CB-CE1 4.06Å; V135-Y178 HydrophobicContact CG1-CE1 3.71Å; V135-Y178 HydrophobicContact CG2-CE1 3.95Å; V135-D239 PolarHBondContact N-O 2.96Å; V135-V240 HydrophobicContact CB-CG2 4.49Å; V135-V240 CarbonylContact O-C 2.86Å; V135-V240 WeakPolarHBondContact O-CA 3.44Å; V135-L241 PolarHBondContact O-N 2.83Å
136	T	98.6	Very high	94.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	134.2	169.6	61.8	0	0	0	0	110.1	V116 R117 L134 L241 M243 S252	V116-T136 WeakPolarHBondContact CA-O 3.43Å; R117-T136 WeakPolarHBondContact CB-OG1 3.28Å; R117-T136 PolarHBondContact N-O 3.19Å; R117-T136 PolarHBondContact O-N 3.42Å; R117-T136 PolarHBondContact O-OG1 2.82Å; L134-T136 HydrophobicContact CD1-CG2 3.91Å; T136-L241 HydrophobicContact CG2-CB 4.5Å; T136-L241 HydrophobicContact CG2-CD1 4.33Å; T136-M243 HydrophobicContact CG2-CE 4.11Å; T136-S252 WeakPolarHBondContact OG1-CB 3.5Å
137	V	98.7	Very high	94.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	106.7	173.8	-177.6	0	0	0	0	107.6	N115 V135 V171 F174 A175 V240 L241 V242 M243	N115-V137 CarbonylContact O-C 3.47Å; N115-V137 WeakPolarHBondContact O-CA 3.16Å; V135-V137 HydrophobicContact CG1-CG2 4.42Å; V137-V171 HydrophobicContact CG1-CG2 3.89Å; V137-F174 HydrophobicContact CG1-CD1 3.8Å; V137-F174 HydrophobicContact CG1-CE1 4.25Å; V137-A175 HydrophobicContact CB-CB 4.17Å; V137-A175 HydrophobicContact CG1-CB 4.04Å; V137-A175 HydrophobicContact CG2-CB 4.25Å; V137-V240 HydrophobicContact CG2-CG1 3.91Å; V137-L241 PolarHBondContact N-O 2.95Å; V137-V242 HydrophobicContact CB-CG2 4.45Å; V137-V242 HydrophobicContact CG1-CG2 4.4Å; V137-V242 WeakPolarHBondContact O-CA 3.08Å; V137-M243 PolarHBondContact O-N 3.47Å
138	R	98.2	Very high	94.5	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.5	-175.3	165.6	-174.5	178	174	6	110.2	N115 N140 Y145 N245 D249	N115-R138 HydrophobicContact CB-CB 4.13Å; N115-R138 HydrophobicContact CB-CG 4.48Å; N115-R138 PolarHBondContact N-O 3.41Å; N115-R138 PolarHBondContact O-N 3.27Å; R138-N140 PolarHBondContact O-N 2.91Å; R138-Y145 VanDerWaalsContact NH2-CE2 3.25Å; R138-Y145 VanDerWaalsContact NH2-CZ 3.26Å; R138-N245 PolarHBondContact NE-O 3.32Å; R138-N245 PolarHBondContact NE-OD1 2.89Å; R138-N245 PolarHBondContact NH2-OD1 2.56Å; R138-D249 IonicContact CZ-OD1 2.77Å; R138-D249 IonicContact NH1-OD1 3.93Å; R138-D249 PolarHBondContact NH1-OD1 3.02Å; R138-D249 IonicContact NH2-OD1 3.8Å; R138-D249 PolarHBondContact NH2-OD1 3.13Å
139	E	97.7	Very high	94.5	Very high	5 Å²	5	39.8 Å²	39.8	2%	0.023	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	125.1	163.4	-158.2	-65.1	128	0	0	108.3	T141 E142 A167 R170 V171 M243 N245	E139-T141 WeakPolarHBondContact OE1-CB 3.37Å; E139-T141 PolarHBondContact OE1-N 3.15Å; E139-T141 PolarHBondContact OE1-OG1 2.88Å; E139-T141 PolarHBondContact OE2-N 3.05Å; E139-T141 VanDerWaalsContact OE2-N 3.1Å; E139-E142 PolarHBondContact OE2-N 3.13Å; E139-A167 HydrophobicContact CG-CB 4.36Å; E139-R170 IonicContact OE1-NH2 2.85Å; E139-V171 HydrophobicContact CB-CB 4.24Å; E139-V171 HydrophobicContact CB-CG1 3.96Å; E139-V171 HydrophobicContact CB-CG2 4.16Å; E139-V171 HydrophobicContact CG-CB 4.13Å; E139-V171 HydrophobicContact CG-CG1 3.89Å; E139-M243 PolarHBondContact N-O 3.06Å; E139-N245 WeakPolarHBondContact O-CA 3.31Å; E139-N245 WeakPolarHBondContact O-CB 3.41Å; E139-N245 PolarHBondContact O-N 2.88Å; E139-N245 PolarHBondContact O-ND2 2.78Å
140	N	94.7	Very high	94.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.21	C	C	.	.			trans	-113.9	2.3	-161.7	-158.2	26.6	0	0	0	113.9	R107 L112 Y113 N115 R138 N245 N269	R107-N140 WeakPolarHBondContact CD-ND2 3.27Å; R107-N140 WeakPolarHBondContact CD-OD1 3.36Å; R107-N140 WeakPolarHBondContact CG-ND2 3.47Å; R107-N140 PolarHBondContact NE-ND2 3.46Å; R107-N140 PolarHBondContact NH1-OD1 3.46Å; L112-N140 WeakPolarHBondContact O-CB 3.17Å; L112-N140 PolarHBondContact O-ND2 3.44Å; Y113-N140 WeakPolarHBondContact O-CB 3.25Å; Y113-N140 PolarHBondContact O-N 2.82Å; N115-N140 HydrophobicContact CB-CB 4.38Å; R138-N140 PolarHBondContact O-N 2.91Å; N140-N245 PolarHBondContact O-ND2 3.49Å; N140-N269 PolarHBondContact ND2-OD1 2.92Å
141	T	92.3	Very high	94.7	Very high	23 Å²	23	38.5 Å²	38.5	14%	0.141	21%	0.209	C	C	.	.	S	Bend	trans	-114.7	-29.6	-172.8	66.7	0	0	0	0	114.8	E139 R170	E139-T141 WeakPolarHBondContact OE1-CB 3.37Å; E139-T141 PolarHBondContact OE1-N 3.15Å; E139-T141 PolarHBondContact OE1-OG1 2.88Å; E139-T141 PolarHBondContact OE2-N 3.05Å; E139-T141 VanDerWaalsContact OE2-N 3.1Å; T141-R170 VanDerWaalsContact CG2-NH2 3.33Å; T141-R170 PolarHBondContact OG1-NH2 3.49Å
142	E	94.6	Very high	94.8	Very high	24 Å²	24	36.3 Å²	36.3	11%	0.112	20%	0.196	C	C	.	.	S	Bend	trans	-115.4	-155.5	-173.7	-61.6	-174	174	0	0	111.1	E139 S146 I163 T164 A167 N245	E139-E142 PolarHBondContact OE2-N 3.13Å; E142-S146 WeakPolarHBondContact CA-OG 3.3Å; E142-I163 WeakPolarHBondContact OE2-CA 3.38Å; E142-T164 VanDerWaalsContact CD-OG1 3.26Å; E142-T164 WeakPolarHBondContact OE1-CB 3.39Å; E142-T164 WeakPolarHBondContact OE1-CG2 3.19Å; E142-T164 PolarHBondContact OE1-OG1 3.19Å; E142-T164 PolarHBondContact OE2-N 2.93Å; E142-T164 PolarHBondContact OE2-OG1 3.42Å; E142-A167 HydrophobicContact CG-CB 3.99Å; E142-A167 VanDerWaalsContact OE1-CB 3.3Å; E142-A167 WeakPolarHBondContact OE1-CB 3.38Å; E142-A167 WeakPolarHBondContact OE2-CB 3.5Å; E142-N245 WeakPolarHBondContact O-CB 3.25Å; E142-N245 PolarHBondContact O-ND2 3.08Å
143	G	93.9	Very high	94.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	73.6	-154.1	-172.7	0	0	0	0	0	112.2	Y145 S146 L162	G143-Y145 PolarHBondContact O-N 2.82Å; G143-S146 VanDerWaalsContact O-CB 3.25Å; G143-S146 WeakPolarHBondContact O-CB 3.4Å; G143-S146 PolarHBondContact O-N 3.21Å; G143-S146 PolarHBondContact O-OG 3.08Å; G143-L162 VanDerWaalsContact CA-O 3.25Å; G143-L162 WeakPolarHBondContact CA-O 3.37Å; G143-L162 PolarHBondContact N-O 3.2Å
144	E	93.5	Very high	94.6	Very high	50 Å²	50	46.1 Å²	46.1	23%	0.234	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-60.6	-26.1	177.7	-62.9	81.9	176.9	0	0	111.7	S146 G147 K161 L246	E144-S146 PolarHBondContact O-N 3.25Å; E144-G147 PolarHBondContact O-N 2.97Å; E144-K161 HydrophobicContact CG-CG 4.46Å; E144-K161 WeakPolarHBondContact OE1-CD 3.39Å; E144-K161 VanDerWaalsContact OE1-CE 3.27Å; E144-K161 WeakPolarHBondContact OE1-CE 3.48Å; E144-K161 IonicContact OE1-NZ 3.02Å; E144-L246 HydrophobicContact CB-CB 4.47Å; E144-L246 HydrophobicContact CB-CD2 4.34Å; E144-L246 HydrophobicContact CG-CB 4.43Å; E144-L246 HydrophobicContact CG-CD2 3.85Å; E144-L246 WeakPolarHBondContact OE2-CB 3.18Å
145	Y	90.3	Very high	94.5	Very high	71 Å²	71	49.6 Å²	49.6	28%	0.278	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-71	-5.6	175.3	-81.9	-89.3	0	0	0	114.5	R138 G143 G147 N245 L246 D249	R138-Y145 VanDerWaalsContact NH2-CE2 3.25Å; R138-Y145 VanDerWaalsContact NH2-CZ 3.26Å; G143-Y145 PolarHBondContact O-N 2.82Å; Y145-G147 PolarHBondContact O-N 3.37Å; Y145-N245 VanDerWaalsContact CB-ND2 3.31Å; Y145-N245 WeakPolarHBondContact CB-ND2 3.3Å; Y145-N245 HydrophobicContact CD2-CB 4.09Å; Y145-N245 VanDerWaalsContact CD2-OD1 3.29Å; Y145-N245 WeakPolarHBondContact CD2-OD1 3.24Å; Y145-L246 HydrophobicContact CE2-CB 4.49Å; Y145-L246 HydrophobicContact CE2-CD1 4.17Å; Y145-D249 HydrophobicContact CE2-CB 4.27Å; Y145-D249 PolarHBondContact OH-OD1 2.86Å; Y145-D249 PolarHBondContact OH-OD2 2.88Å
146	S	88.8	Confident	94.5	Very high	21 Å²	21	52.7 Å²	52.7	15%	0.147	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-63.3	-23.9	170.8	-53.2	0	0	0	0	111.8	E142 G143 E144 I148	E142-S146 WeakPolarHBondContact CA-OG 3.3Å; G143-S146 VanDerWaalsContact O-CB 3.25Å; G143-S146 WeakPolarHBondContact O-CB 3.4Å; G143-S146 PolarHBondContact O-N 3.21Å; G143-S146 PolarHBondContact O-OG 3.08Å; E144-S146 PolarHBondContact O-N 3.25Å; S146-I148 VanDerWaalsContact C-N 3.28Å; S146-I148 PolarHBondContact O-N 3.39Å
147	G	86.9	Confident	94.4	Very high	52 Å²	52	57.1 Å²	57.1	54%	0.536	33%	0.333	S	S	.	.			trans	69.1	25.8	178.9	0	0	0	0	0	113.3	E144 Y145 E149	E144-G147 PolarHBondContact O-N 2.97Å; Y145-G147 PolarHBondContact O-N 3.37Å; G147-E149 PolarHBondContact O-N 3.11Å; G147-E149 VanDerWaalsContact O-N 3.17Å
148	I	90.8	Very high	94.3	Very high	68 Å²	68	61.7 Å²	61.7	35%	0.349	35%	0.354	S	S	.	.			trans	-85.1	89.3	179.1	-55.9	172.3	0	0	0	107.7	S146 I160 L162	S146-I148 VanDerWaalsContact C-N 3.28Å; S146-I148 PolarHBondContact O-N 3.39Å; I148-I160 HydrophobicContact CB-CB 4.08Å; I148-I160 HydrophobicContact CG2-CB 3.9Å; I148-I160 HydrophobicContact CG2-CD1 3.8Å; I148-I160 HydrophobicContact CG2-CG1 4.08Å; I148-I160 PolarHBondContact O-N 3.42Å; I148-L162 HydrophobicContact CD1-CB 4.34Å; I148-L162 HydrophobicContact CD1-CD2 4.2Å
149	E	92.7	Very high	94.2	Very high	131 Å²	131	64.6 Å²	64.6	61%	0.612	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.2	-179.3	-59.6	-173.5	115.1	0	0	110.8	G147 Q158	G147-E149 PolarHBondContact O-N 3.11Å; G147-E149 VanDerWaalsContact O-N 3.17Å; E149-Q158 VanDerWaalsContact CA-O 3.25Å; E149-Q158 WeakPolarHBondContact CA-O 3.43Å
150	H	94.8	Very high	94.1	Very high	79 Å²	79	67.9 Å²	67.9	37%	0.366	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	150.2	176.7	60.3	-77.8	0	0	0	111.8	V157 Q158	H150-V157 WeakPolarHBondContact O-CA 3.41Å; H150-Q158 PolarHBondContact CE1-OE1 3.45Å; H150-Q158 PolarHBondContact N-O 3.24Å; H150-Q158 PolarHBondContact NE2-OE1 2.76Å; H150-Q158 PolarHBondContact O-N 3.13Å
151	V	96.4	Very high	94.2	Very high	97 Å²	97	69.6 Å²	69.6	59%	0.588	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	126.4	172.4	-178.2	0	0	0	0	107.9	V153 V156 V157	V151-V153 WeakPolarHBondContact CG1-O 3.45Å; V151-V156 WeakPolarHBondContact CA-O 3.41Å; V151-V157 HydrophobicContact CG2-CG2 4.32Å
152	I	95.7	Very high	94.4	Very high	88 Å²	88	71.7 Å²	71.7	45%	0.451	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-52.8	175	-46.8	178.1	0	0	0	109.6	V156 Q158	I152-V156 HydrophobicContact CB-CG1 4.22Å; I152-V156 HydrophobicContact CD1-CG1 3.71Å; I152-V156 HydrophobicContact CG1-CG1 4.13Å; I152-V156 PolarHBondContact N-O 2.83Å; I152-Q158 HydrophobicContact CD1-CG 3.71Å; I152-Q158 HydrophobicContact CG1-CG 4.12Å
153	V	95.5	Very high	94.6	Very high	88 Å²	88	71.7 Å²	71.7	53%	0.533	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	166.6	174.4	-65.2	0	0	0	0	107.6	V151 G155 V156	V151-V153 WeakPolarHBondContact CG1-O 3.45Å; V153-G155 PolarHBondContact O-N 2.84Å; V153-V156 HydrophobicContact CG2-CB 3.73Å; V153-V156 HydrophobicContact CG2-CG2 3.53Å; V153-V156 PolarHBondContact O-N 2.93Å
154	D	96.2	Very high	94.8	Very high	168 Å²	168	73.8 Å²	73.8	90%	0.898	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	130	178.9	-169.3	33.1	0	0	0	111.6	V156	D154-V156 VanDerWaalsContact C-N 3.3Å; D154-V156 PolarHBondContact O-N 2.88Å
155	G	96.7	Very high	95	Very high	73 Å²	73	75.7 Å²	75.7	75%	0.753	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	-1	-174.8	0	0	0	0	0	116.9	V153	V153-G155 PolarHBondContact O-N 2.84Å
156	V	97.4	Very high	95.4	Very high	65 Å²	65	79.5 Å²	79.5	39%	0.394	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	113.9	179.7	-176.5	0	0	0	0	110.9	V151 I152 V153 D154	V151-V156 WeakPolarHBondContact CA-O 3.41Å; I152-V156 HydrophobicContact CB-CG1 4.22Å; I152-V156 HydrophobicContact CD1-CG1 3.71Å; I152-V156 HydrophobicContact CG1-CG1 4.13Å; I152-V156 PolarHBondContact N-O 2.83Å; V153-V156 HydrophobicContact CG2-CB 3.73Å; V153-V156 HydrophobicContact CG2-CG2 3.53Å; V153-V156 PolarHBondContact O-N 2.93Å; D154-V156 VanDerWaalsContact C-N 3.3Å; D154-V156 PolarHBondContact O-N 2.88Å
157	V	96.7	Very high	95.8	Very high	94 Å²	94	78.6 Å²	78.6	57%	0.57	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	140.4	-177.6	-173.9	0	0	0	0	110.3	H150 V151	H150-V157 WeakPolarHBondContact O-CA 3.41Å; V151-V157 HydrophobicContact CG2-CG2 4.32Å
158	Q	96.7	Very high	96.3	Very high	95 Å²	95	76.2 Å²	76.2	44%	0.444	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.3	170.6	-80.7	-179.8	4.1	0	0	110.9	E149 H150 I152	E149-Q158 VanDerWaalsContact CA-O 3.25Å; E149-Q158 WeakPolarHBondContact CA-O 3.43Å; H150-Q158 PolarHBondContact CE1-OE1 3.45Å; H150-Q158 PolarHBondContact N-O 3.24Å; H150-Q158 PolarHBondContact NE2-OE1 2.76Å; H150-Q158 PolarHBondContact O-N 3.13Å; I152-Q158 HydrophobicContact CD1-CG 3.71Å; I152-Q158 HydrophobicContact CG1-CG 4.12Å
159	S	94.9	Very high	96.7	Very high	64 Å²	64	75.5 Å²	75.5	45%	0.448	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.5	169.4	-176.7	0	0	0	0	109.3
160	I	95.9	Very high	97	Very high	74 Å²	74	71.1 Å²	71.1	38%	0.379	39%	0.392	S	S	.	.			trans	-102.1	116.8	-178	-58	-176.9	0	0	0	109.3	I148 L162	I148-I160 HydrophobicContact CB-CB 4.08Å; I148-I160 HydrophobicContact CG2-CB 3.9Å; I148-I160 HydrophobicContact CG2-CD1 3.8Å; I148-I160 HydrophobicContact CG2-CG1 4.08Å; I148-I160 PolarHBondContact O-N 3.42Å; I160-L162 PolarHBondContact O-N 2.83Å
161	K	96.7	Very high	97.1	Very high	36 Å²	36	67.4 Å²	67.4	16%	0.157	38%	0.375	C	S	.	.			trans	-78	102.7	167.5	-172.9	-173.8	-168.3	-175.6	0	110.1	E144 I163 M196 D200 Y247	E144-K161 HydrophobicContact CG-CG 4.46Å; E144-K161 WeakPolarHBondContact OE1-CD 3.39Å; E144-K161 VanDerWaalsContact OE1-CE 3.27Å; E144-K161 WeakPolarHBondContact OE1-CE 3.48Å; E144-K161 IonicContact OE1-NZ 3.02Å; K161-I163 HydrophobicContact CG-CG1 4.37Å; K161-M196 HydrophobicContact CD-SD 3.57Å; K161-M196 VanDerWaalsContact CD-SD 3.57Å; K161-M196 PolarHBondContact NZ-SD 3.42Å; K161-D200 IonicContact NZ-OD1 3.93Å; K161-D200 PolarHBondContact NZ-OD1 2.83Å; K161-D200 IonicContact NZ-OD2 3.93Å; K161-Y247 PolarHBondContact NZ-OH 3.42Å
162	L	97.2	Very high	97.2	Very high	68 Å²	68	62.8 Å²	62.8	36%	0.356	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-82.9	129.5	175.1	-175.7	65.5	0	0	0	110.3	G143 I148 I160 T164	G143-L162 VanDerWaalsContact CA-O 3.25Å; G143-L162 WeakPolarHBondContact CA-O 3.37Å; G143-L162 PolarHBondContact N-O 3.2Å; I148-L162 HydrophobicContact CD1-CB 4.34Å; I148-L162 HydrophobicContact CD1-CD2 4.2Å; I160-L162 PolarHBondContact O-N 2.83Å; L162-T164 HydrophobicContact CD1-CG2 4.38Å; L162-T164 HydrophobicContact CG-CG2 4.39Å
163	I	98.2	Very high	97.4	Very high	24 Å²	24	64.5 Å²	64.5	12%	0.123	35%	0.348	C	S	.	.			trans	-137.7	122.8	169.6	-61.8	-67	0	0	0	107.3	E142 K161 S168 L202 F203 P244	E142-I163 WeakPolarHBondContact OE2-CA 3.38Å; K161-I163 HydrophobicContact CG-CG1 4.37Å; I163-S168 WeakPolarHBondContact CG2-OG 3.43Å; I163-L202 HydrophobicContact CG2-CD2 4.26Å; I163-L202 HydrophobicContact CG2-CG 4.46Å; I163-F203 HydrophobicContact CG2-CB 4.23Å; I163-P244 HydrophobicContact CD1-CB 4.16Å; I163-P244 HydrophobicContact CD1-CG 4.49Å
164	T	98.3	Very high	97.5	Very high	43 Å²	43	62.2 Å²	62.2	26%	0.264	33%	0.33	S	S	.	.			trans	-108.9	156	175.3	71.9	0	0	0	0	111.3	E142 L162 E166 A167 S168	E142-T164 VanDerWaalsContact CD-OG1 3.26Å; E142-T164 WeakPolarHBondContact OE1-CB 3.39Å; E142-T164 WeakPolarHBondContact OE1-CG2 3.19Å; E142-T164 PolarHBondContact OE1-OG1 3.19Å; E142-T164 PolarHBondContact OE2-N 2.93Å; E142-T164 PolarHBondContact OE2-OG1 3.42Å; L162-T164 HydrophobicContact CD1-CG2 4.38Å; L162-T164 HydrophobicContact CG-CG2 4.39Å; T164-E166 VanDerWaalsContact C-N 3.31Å; T164-A167 WeakPolarHBondContact OG1-CB 3.24Å; T164-A167 PolarHBondContact OG1-N 3.05Å; T164-A167 VanDerWaalsContact OG1-N 3.13Å; T164-S168 VanDerWaalsContact O-CB 3.3Å; T164-S168 WeakPolarHBondContact O-CB 2.91Å; T164-S168 PolarHBondContact O-N 3.38Å; T164-S168 VanDerWaalsContact O-N 3.14Å; T164-S168 PolarHBondContact O-OG 3.35Å
165	E	98.5	Very high	97.6	Very high	91 Å²	91	54.2 Å²	54.2	43%	0.425	29%	0.288	S	S	.	.	H	α-helix	trans	-63.5	-41.6	174.2	-172.2	177	150.2	0	0	111	S168 R169 L202 V206	E165-S168 PolarHBondContact O-N 2.84Å; E165-R169 WeakPolarHBondContact O-CB 3.3Å; E165-R169 PolarHBondContact O-N 3.29Å; E165-R169 IonicContact OE1-CZ 2.74Å; E165-R169 IonicContact OE1-NE 3.31Å; E165-R169 IonicContact OE1-NH2 2.75Å; E165-R169 PolarHBondContact OE1-NH2 2.95Å; E165-L202 HydrophobicContact CB-CD1 4.18Å; E165-L202 HydrophobicContact CG-CD1 4.43Å; E165-V206 HydrophobicContact CG-CG2 3.78Å
166	E	97.9	Very high	97.7	Very high	151 Å²	151	50.7 Å²	50.7	71%	0.706	25%	0.252	S	S	*	.	H	α-helix	trans	-60	-52.1	-179.3	-175.6	-178.2	165.8	0	0	111.7	T164 S168 R169 R170	T164-E166 VanDerWaalsContact C-N 3.31Å; E166-S168 PolarHBondContact O-N 2.97Å; E166-R169 PolarHBondContact O-N 2.96Å; E166-R170 WeakPolarHBondContact O-CG 3.46Å; E166-R170 PolarHBondContact O-N 3.22Å
167	A	97.4	Very high	97.7	Very high	2 Å²	2	51.2 Å²	51.2	2%	0.017	25%	0.25	C	C	.	.	H	α-helix	trans	-65.2	-40.6	180	0	0	0	0	0	112.2	E139 E142 T164 R169 R170 V171	E139-A167 HydrophobicContact CG-CB 4.36Å; E142-A167 HydrophobicContact CG-CB 3.99Å; E142-A167 VanDerWaalsContact OE1-CB 3.3Å; E142-A167 WeakPolarHBondContact OE1-CB 3.38Å; E142-A167 WeakPolarHBondContact OE2-CB 3.5Å; T164-A167 WeakPolarHBondContact OG1-CB 3.24Å; T164-A167 PolarHBondContact OG1-N 3.05Å; T164-A167 VanDerWaalsContact OG1-N 3.13Å; A167-R169 VanDerWaalsContact C-N 3.31Å; A167-R169 PolarHBondContact O-N 2.95Å; A167-R170 VanDerWaalsContact O-CG 3.24Å; A167-R170 WeakPolarHBondContact O-CG 3.43Å; A167-V171 WeakPolarHBondContact O-CG1 3.22Å; A167-V171 PolarHBondContact O-N 2.94Å
168	S	98.7	Very high	97.8	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.014	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-40.4	174.8	-58.2	0	0	0	0	111.6	I163 T164 E165 E166 V171 A172	I163-S168 WeakPolarHBondContact CG2-OG 3.43Å; T164-S168 VanDerWaalsContact O-CB 3.3Å; T164-S168 WeakPolarHBondContact O-CB 2.91Å; T164-S168 PolarHBondContact O-N 3.38Å; T164-S168 VanDerWaalsContact O-N 3.14Å; T164-S168 PolarHBondContact O-OG 3.35Å; E165-S168 PolarHBondContact O-N 2.84Å; E166-S168 PolarHBondContact O-N 2.97Å; S168-V171 WeakPolarHBondContact O-CG1 3.39Å; S168-A172 WeakPolarHBondContact O-CB 3.13Å; S168-A172 PolarHBondContact O-N 2.64Å
169	R	98.4	Very high	97.9	Very high	53 Å²	53	44 Å²	44	20%	0.2	21%	0.208	C	C	.	.	H	α-helix	trans	-71	-45.2	-175.8	-167.8	173.3	-62.9	-74.1	1.1	111.7	E165 E166 A167 A172 R173 V206 E209 E210	E165-R169 WeakPolarHBondContact O-CB 3.3Å; E165-R169 PolarHBondContact O-N 3.29Å; E165-R169 IonicContact OE1-CZ 2.74Å; E165-R169 IonicContact OE1-NE 3.31Å; E165-R169 IonicContact OE1-NH2 2.75Å; E165-R169 PolarHBondContact OE1-NH2 2.95Å; E166-R169 PolarHBondContact O-N 2.96Å; A167-R169 VanDerWaalsContact C-N 3.31Å; A167-R169 PolarHBondContact O-N 2.95Å; R169-A172 PolarHBondContact O-N 3.13Å; R169-R173 VanDerWaalsContact O-CB 3.25Å; R169-R173 WeakPolarHBondContact O-CB 3.29Å; R169-R173 PolarHBondContact O-N 3.27Å; R169-V206 HydrophobicContact CB-CG1 3.7Å; R169-V206 HydrophobicContact CG-CG1 4.17Å; R169-E209 IonicContact CZ-OE2 2.88Å; R169-E209 IonicContact NH1-OE2 3.95Å; R169-E209 PolarHBondContact NH1-OE2 3.28Å; R169-E209 IonicContact NH2-OE2 3.85Å; R169-E209 PolarHBondContact NH2-OE2 3.03Å; R169-E210 WeakPolarHBondContact CD-OE1 3.48Å; R169-E210 HydrophobicContact CG-CG 4.23Å; R169-E210 WeakPolarHBondContact CG-OE1 3.41Å; R169-E210 IonicContact CZ-OE1 3.43Å; R169-E210 IonicContact NH1-OE1 2.78Å; R169-E210 PolarHBondContact NH1-OE1 2.93Å
170	R	97.8	Very high	98	Very high	39 Å²	39	46 Å²	46	15%	0.147	21%	0.209	C	C	.	.	H	α-helix	trans	-65	-39.8	179.3	65.7	-176.5	-179.9	176.3	-2.6	112.6	N111 Y113 E139 T141 E166 A167 F174	N111-R170 PolarHBondContact OD1-NH1 3.05Å; Y113-R170 HydrophobicContact CD2-CB 4.24Å; Y113-R170 HydrophobicContact CD2-CG 3.65Å; Y113-R170 HydrophobicContact CE2-CB 3.98Å; Y113-R170 HydrophobicContact CE2-CG 3.91Å; Y113-R170 HydrophobicContact CG-CG 4.12Å; E139-R170 IonicContact OE1-NH2 2.85Å; T141-R170 VanDerWaalsContact CG2-NH2 3.33Å; T141-R170 PolarHBondContact OG1-NH2 3.49Å; E166-R170 WeakPolarHBondContact O-CG 3.46Å; E166-R170 PolarHBondContact O-N 3.22Å; A167-R170 VanDerWaalsContact O-CG 3.24Å; A167-R170 WeakPolarHBondContact O-CG 3.43Å; R170-F174 VanDerWaalsContact O-CB 3.24Å; R170-F174 WeakPolarHBondContact O-CB 3.46Å; R170-F174 PolarHBondContact O-N 2.79Å
171	V	98.5	Very high	98	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-73.1	-39	178.4	72.9	0	0	0	0	111.7	V137 E139 A167 S168 F174 A175 F203 V242	V137-V171 HydrophobicContact CG1-CG2 3.89Å; E139-V171 HydrophobicContact CB-CB 4.24Å; E139-V171 HydrophobicContact CB-CG1 3.96Å; E139-V171 HydrophobicContact CB-CG2 4.16Å; E139-V171 HydrophobicContact CG-CB 4.13Å; E139-V171 HydrophobicContact CG-CG1 3.89Å; A167-V171 WeakPolarHBondContact O-CG1 3.22Å; A167-V171 PolarHBondContact O-N 2.94Å; S168-V171 WeakPolarHBondContact O-CG1 3.39Å; V171-F174 PolarHBondContact O-N 3.43Å; V171-A175 PolarHBondContact O-N 3.49Å; V171-F203 HydrophobicContact CG1-CE2 3.96Å; V171-V242 HydrophobicContact CG1-CG2 4.49Å; V171-V242 HydrophobicContact CG2-CG2 4.22Å
172	A	98.6	Very high	98	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.4	-50.7	175.3	0	0	0	0	0	110.6	S168 R169 F174 A175 F176 E210	S168-A172 WeakPolarHBondContact O-CB 3.13Å; S168-A172 PolarHBondContact O-N 2.64Å; R169-A172 PolarHBondContact O-N 3.13Å; A172-F174 VanDerWaalsContact C-N 3.28Å; A172-F174 PolarHBondContact O-N 2.97Å; A172-A175 WeakPolarHBondContact O-CB 3.37Å; A172-A175 PolarHBondContact O-N 2.82Å; A172-A175 VanDerWaalsContact O-N 3.08Å; A172-F176 WeakPolarHBondContact O-CD2 3.33Å; A172-F176 PolarHBondContact O-N 2.77Å; A172-E210 HydrophobicContact CB-CB 4.17Å; A172-E210 HydrophobicContact CB-CG 3.95Å
173	R	98.3	Very high	98	Very high	125 Å²	125	49.9 Å²	49.9	47%	0.472	25%	0.248	S	C	.	.	H	α-helix	trans	-54.9	-45.6	174.2	-175.3	176.9	-63	174.1	2.7	112	R169 A175 F176 Q177 E210	R169-R173 VanDerWaalsContact O-CB 3.25Å; R169-R173 WeakPolarHBondContact O-CB 3.29Å; R169-R173 PolarHBondContact O-N 3.27Å; R173-A175 VanDerWaalsContact C-N 3.34Å; R173-A175 PolarHBondContact O-N 2.98Å; R173-F176 PolarHBondContact O-N 3.22Å; R173-Q177 VanDerWaalsContact O-CB 3.26Å; R173-Q177 WeakPolarHBondContact O-CB 3.49Å; R173-Q177 PolarHBondContact O-N 2.76Å; R173-E210 WeakPolarHBondContact CB-OE2 3.45Å; R173-E210 IonicContact CZ-OE2 2.73Å; R173-E210 IonicContact NE-OE2 2.88Å; R173-E210 PolarHBondContact NE-OE2 3.3Å; R173-E210 IonicContact NH2-OE1 3.27Å; R173-E210 IonicContact NH2-OE2 3.13Å
174	F	98.4	Very high	98	Very high	39 Å²	39	51 Å²	51	17%	0.171	25%	0.251	C	S	.	.	H	α-helix	trans	-59	-45.7	176.7	179.4	-81.8	0	0	0	111.3	Y113 A114 V116 V137 R170 V171 A172 Q177 Y178 I270	Y113-F174 HydrophobicContact CE2-CB 4.09Å; Y113-F174 HydrophobicContact CE2-CG 4.49Å; A114-F174 HydrophobicContact CB-CB 4.48Å; A114-F174 HydrophobicContact CB-CD1 3.75Å; A114-F174 HydrophobicContact CB-CD2 4.22Å; A114-F174 HydrophobicContact CB-CE1 4.06Å; A114-F174 HydrophobicContact CB-CE2 4.46Å; A114-F174 HydrophobicContact CB-CG 3.86Å; A114-F174 HydrophobicContact CB-CZ 4.39Å; V116-F174 HydrophobicContact CG2-CD1 4.47Å; V116-F174 HydrophobicContact CG2-CE1 3.31Å; V116-F174 HydrophobicContact CG2-CZ 3.55Å; V137-F174 HydrophobicContact CG1-CD1 3.8Å; V137-F174 HydrophobicContact CG1-CE1 4.25Å; R170-F174 VanDerWaalsContact O-CB 3.24Å; R170-F174 WeakPolarHBondContact O-CB 3.46Å; R170-F174 PolarHBondContact O-N 2.79Å; V171-F174 PolarHBondContact O-N 3.43Å; A172-F174 VanDerWaalsContact C-N 3.28Å; A172-F174 PolarHBondContact O-N 2.97Å; F174-Q177 PolarHBondContact O-N 2.83Å; F174-Y178 HydrophobicContact CE1-CD2 4.39Å; F174-Y178 HydrophobicContact CZ-CD2 4.5Å; F174-Y178 WeakPolarHBondContact O-CB 3.39Å; F174-Y178 PolarHBondContact O-N 3.03Å; F174-I270 HydrophobicContact CE2-CB 4.08Å; F174-I270 HydrophobicContact CE2-CG1 4.37Å; F174-I270 HydrophobicContact CE2-CG2 3.84Å; F174-I270 HydrophobicContact CZ-CB 4.25Å; F174-I270 HydrophobicContact CZ-CG1 4.09Å; F174-I270 HydrophobicContact CZ-CG2 4.4Å
175	A	98.7	Very high	97.9	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.1	-44.4	179.9	0	0	0	0	0	112.5	V137 V171 A172 R173 Y178 A179 V187 V240 V242	V137-A175 HydrophobicContact CB-CB 4.17Å; V137-A175 HydrophobicContact CG1-CB 4.04Å; V137-A175 HydrophobicContact CG2-CB 4.25Å; V171-A175 PolarHBondContact O-N 3.49Å; A172-A175 WeakPolarHBondContact O-CB 3.37Å; A172-A175 PolarHBondContact O-N 2.82Å; A172-A175 VanDerWaalsContact O-N 3.08Å; R173-A175 VanDerWaalsContact C-N 3.34Å; R173-A175 PolarHBondContact O-N 2.98Å; A175-Y178 PolarHBondContact O-N 3.34Å; A175-A179 WeakPolarHBondContact O-CB 3.34Å; A175-A179 PolarHBondContact O-N 3.37Å; A175-V187 HydrophobicContact CB-CG1 4.45Å; A175-V240 HydrophobicContact CB-CG1 4.46Å; A175-V242 HydrophobicContact CB-CB 3.72Å; A175-V242 HydrophobicContact CB-CG1 4.42Å; A175-V242 HydrophobicContact CB-CG2 3.66Å
176	F	98.7	Very high	97.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.1	-41.7	176.4	-78.3	-74.2	0	0	0	112.8	A172 R173 A179 K180 V187 E210 A211 H214 I217 F219	A172-F176 WeakPolarHBondContact O-CD2 3.33Å; A172-F176 PolarHBondContact O-N 2.77Å; R173-F176 PolarHBondContact O-N 3.22Å; F176-A179 WeakPolarHBondContact O-CB 3.47Å; F176-A179 PolarHBondContact O-N 2.93Å; F176-K180 PolarHBondContact O-N 3.37Å; F176-V187 HydrophobicContact CD1-CB 4.24Å; F176-V187 HydrophobicContact CD1-CG2 3.95Å; F176-V187 HydrophobicContact CE1-CB 3.82Å; F176-V187 HydrophobicContact CE1-CG1 4.23Å; F176-V187 HydrophobicContact CE1-CG2 4.06Å; F176-V187 HydrophobicContact CE2-CG1 4.34Å; F176-V187 HydrophobicContact CG-CG2 4.47Å; F176-V187 HydrophobicContact CZ-CB 4.11Å; F176-V187 HydrophobicContact CZ-CG1 4.05Å; F176-E210 HydrophobicContact CD2-CB 4.04Å; F176-E210 HydrophobicContact CE2-CB 4.14Å; F176-A211 HydrophobicContact CE1-CB 4.06Å; F176-A211 HydrophobicContact CE2-CB 4.14Å; F176-A211 VanDerWaalsContact CZ-CA 3.46Å; F176-A211 HydrophobicContact CZ-CB 3.47Å; F176-A211 VanDerWaalsContact CZ-CB 3.47Å; F176-H214 HydrophobicContact CB-CB 4.11Å; F176-H214 HydrophobicContact CD1-CB 3.73Å; F176-H214 HydrophobicContact CE1-CB 4.45Å; F176-H214 HydrophobicContact CG-CB 4.08Å; F176-H214 AromaticContact CG-CD2 3.9Å; F176-I217 HydrophobicContact CD1-CB 4.03Å; F176-I217 HydrophobicContact CD1-CG1 4.4Å; F176-I217 HydrophobicContact CD1-CG2 3.92Å; F176-I217 HydrophobicContact CE1-CB 4.29Å; F176-I217 HydrophobicContact CE1-CG2 4.02Å; F176-F219 HydrophobicContact CE1-CB 4.44Å; F176-F219 HydrophobicContact CE1-CD2 4.33Å; F176-F219 HydrophobicContact CE2-CD2 4.5Å; F176-F219 HydrophobicContact CZ-CB 4.35Å; F176-F219 AromaticContact CZ-CD2 3.57Å; F176-F219 HydrophobicContact CZ-CD2 3.57Å; F176-F219 HydrophobicContact CZ-CE2 4.24Å; F176-F219 HydrophobicContact CZ-CG 4.24Å
177	Q	97.7	Very high	98	Very high	75 Å²	75	47.3 Å²	47.3	35%	0.35	22%	0.224	S	C	.	.	H	α-helix	trans	-64.8	-43.6	176.4	-172.1	58.5	50.9	0	0	111	R173 F174 A179 K180 D181	R173-Q177 VanDerWaalsContact O-CB 3.26Å; R173-Q177 WeakPolarHBondContact O-CB 3.49Å; R173-Q177 PolarHBondContact O-N 2.76Å; F174-Q177 PolarHBondContact O-N 2.83Å; Q177-A179 VanDerWaalsContact C-N 3.32Å; Q177-A179 PolarHBondContact O-N 2.57Å; Q177-K180 PolarHBondContact O-N 3.31Å; Q177-D181 WeakPolarHBondContact CG-OD2 3.32Å; Q177-D181 PolarHBondContact NE2-OD1 2.9Å; Q177-D181 PolarHBondContact NE2-OD2 2.59Å; Q177-D181 WeakPolarHBondContact O-CB 3.15Å; Q177-D181 VanDerWaalsContact O-CG 3.24Å; Q177-D181 PolarHBondContact O-N 3.01Å
178	Y	97.9	Very high	98.1	Very high	38 Å²	38	47.4 Å²	47.4	15%	0.149	23%	0.225	C	C	.	.	H	α-helix	trans	-57.7	-45.7	173	177.4	-85.8	0	0	0	111.2	V116 V135 F174 A175 K180 D181 N182 V240	V116-Y178 HydrophobicContact CG1-CD2 4.38Å; V116-Y178 HydrophobicContact CG1-CE2 3.84Å; V135-Y178 HydrophobicContact CB-CE1 4.06Å; V135-Y178 HydrophobicContact CG1-CE1 3.71Å; V135-Y178 HydrophobicContact CG2-CE1 3.95Å; F174-Y178 HydrophobicContact CE1-CD2 4.39Å; F174-Y178 HydrophobicContact CZ-CD2 4.5Å; F174-Y178 WeakPolarHBondContact O-CB 3.39Å; F174-Y178 PolarHBondContact O-N 3.03Å; A175-Y178 PolarHBondContact O-N 3.34Å; Y178-K180 VanDerWaalsContact C-N 3.34Å; Y178-K180 PolarHBondContact O-N 2.6Å; Y178-D181 PolarHBondContact O-N 3.35Å; Y178-N182 WeakPolarHBondContact CD2-ND2 3.45Å; Y178-N182 HydrophobicContact CE1-CB 4.41Å; Y178-N182 WeakPolarHBondContact CE2-ND2 3.35Å; Y178-N182 WeakPolarHBondContact O-CB 3.41Å; Y178-N182 PolarHBondContact O-N 3.1Å; Y178-N182 PolarHBondContact O-ND2 3.44Å; Y178-V240 HydrophobicContact CD1-CG2 4.32Å; Y178-V240 HydrophobicContact CE1-CG2 4.47Å
179	A	98.5	Very high	98.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-58.5	-48.5	178.4	0	0	0	0	0	110.9	A175 F176 Q177 N182 G183 R184 V187 I217 V240	A175-A179 WeakPolarHBondContact O-CB 3.34Å; A175-A179 PolarHBondContact O-N 3.37Å; F176-A179 WeakPolarHBondContact O-CB 3.47Å; F176-A179 PolarHBondContact O-N 2.93Å; Q177-A179 VanDerWaalsContact C-N 3.32Å; Q177-A179 PolarHBondContact O-N 2.57Å; A179-N182 PolarHBondContact O-N 3.42Å; A179-G183 PolarHBondContact O-N 3.46Å; A179-G183 VanDerWaalsContact O-N 3.15Å; A179-R184 HydrophobicContact CB-CB 3.91Å; A179-R184 PolarHBondContact O-N 2.6Å; A179-V187 HydrophobicContact CB-CG2 3.76Å; A179-I217 HydrophobicContact CB-CD1 4.09Å; A179-I217 HydrophobicContact CB-CG1 4.4Å; A179-I217 HydrophobicContact CB-CG2 4.33Å; A179-V240 HydrophobicContact CB-CG2 4.14Å
180	K	97.9	Very high	98.1	Very high	105 Å²	105	44.8 Å²	44.8	46%	0.457	21%	0.214	S	C	.	.	H	α-helix	trans	-60	-50.1	176.8	-177.9	173.9	-175.5	154.8	0	112.9	F176 Q177 Y178 N182 G183 E216	F176-K180 PolarHBondContact O-N 3.37Å; Q177-K180 PolarHBondContact O-N 3.31Å; Y178-K180 VanDerWaalsContact C-N 3.34Å; Y178-K180 PolarHBondContact O-N 2.6Å; K180-N182 PolarHBondContact O-N 3.09Å; K180-G183 PolarHBondContact O-N 3.41Å; K180-E216 WeakPolarHBondContact CD-OE1 3.44Å; K180-E216 WeakPolarHBondContact CE-OE1 3.42Å; K180-E216 IonicContact NZ-OE1 3.95Å; K180-E216 PolarHBondContact NZ-OE1 2.96Å
181	D	95.9	Very high	98.1	Very high	111 Å²	111	43.1 Å²	43.1	59%	0.594	21%	0.208	S	C	*	.	H	α-helix	trans	-68.7	-24.5	-174.5	-68.2	-21.9	0	0	0	112.8	Q177 Y178	Q177-D181 WeakPolarHBondContact CG-OD2 3.32Å; Q177-D181 PolarHBondContact NE2-OD1 2.9Å; Q177-D181 PolarHBondContact NE2-OD2 2.59Å; Q177-D181 WeakPolarHBondContact O-CB 3.15Å; Q177-D181 VanDerWaalsContact O-CG 3.24Å; Q177-D181 PolarHBondContact O-N 3.01Å; Y178-D181 PolarHBondContact O-N 3.35Å
182	N	96.4	Very high	98	Very high	84 Å²	84	45.1 Å²	45.1	45%	0.449	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	13.3	-179.3	-64.2	-90.2	0	0	0	113.1	Y178 A179 K180 R184	Y178-N182 WeakPolarHBondContact CD2-ND2 3.45Å; Y178-N182 HydrophobicContact CE1-CB 4.41Å; Y178-N182 WeakPolarHBondContact CE2-ND2 3.35Å; Y178-N182 WeakPolarHBondContact O-CB 3.41Å; Y178-N182 PolarHBondContact O-N 3.1Å; Y178-N182 PolarHBondContact O-ND2 3.44Å; A179-N182 PolarHBondContact O-N 3.42Å; K180-N182 PolarHBondContact O-N 3.09Å; N182-R184 HydrophobicContact CB-CG 4.23Å; N182-R184 PolarHBondContact O-N 3.29Å
183	G	97	Very high	97.9	Very high	66 Å²	66	46 Å²	46	68%	0.68	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	28.8	177.1	0	0	0	0	0	114.3	A179 K180	A179-G183 PolarHBondContact O-N 3.46Å; A179-G183 VanDerWaalsContact O-N 3.15Å; K180-G183 PolarHBondContact O-N 3.41Å
184	R	98.1	Very high	97.8	Very high	46 Å²	46	43.9 Å²	43.9	17%	0.174	22%	0.222	C	C	.	.			trans	-79.7	151.4	173.9	-52.1	-49.8	-165.7	135.8	-13.6	110	D133 A179 N182 I217 D239 V240	D133-R184 IonicContact OD1-CZ 2.74Å; D133-R184 VanDerWaalsContact OD1-CZ 3.31Å; D133-R184 IonicContact OD1-NH1 3.87Å; D133-R184 PolarHBondContact OD1-NH1 2.84Å; D133-R184 IonicContact OD1-NH2 3.76Å; D133-R184 PolarHBondContact OD1-NH2 3.25Å; D133-R184 IonicContact OD2-NH2 3.99Å; A179-R184 HydrophobicContact CB-CB 3.91Å; A179-R184 PolarHBondContact O-N 2.6Å; N182-R184 HydrophobicContact CB-CG 4.23Å; N182-R184 PolarHBondContact O-N 3.29Å; R184-I217 WeakPolarHBondContact O-CD1 3.42Å; R184-D239 WeakPolarHBondContact CA-OD2 3.38Å; R184-D239 WeakPolarHBondContact CB-OD2 3.46Å; R184-D239 VanDerWaalsContact CD-OD1 3.31Å; R184-D239 WeakPolarHBondContact CD-OD1 3.4Å; R184-D239 IonicContact CZ-OD1 2.64Å; R184-D239 IonicContact NE-OD1 3.71Å; R184-D239 IonicContact NH1-OD1 2.57Å; R184-D239 PolarHBondContact NH1-OD1 2.92Å; R184-V240 HydrophobicContact CB-CG2 3.78Å; R184-V240 HydrophobicContact CG-CG2 3.76Å
185	R	97.7	Very high	97.7	Very high	192 Å²	192	47.8 Å²	47.8	73%	0.725	24%	0.244	S	C	*	.			trans	-98.7	-34.8	-169.7	-60.4	-178	-61.7	-142.3	-0.7	112.7	E218 D239	R185-E218 PolarHBondContact O-N 2.82Å; R185-D239 PolarHBondContact N-OD2 2.94Å
186	S	98.4	Very high	97.6	Very high	16 Å²	16	50.3 Å²	50.3	11%	0.112	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	151.5	-173.3	65.9	0	0	0	0	113.7	E218 D239 V240	S186-E218 CarbonylContact C-O 3.51Å; S186-E218 WeakPolarHBondContact CA-O 3.23Å; S186-E218 WeakPolarHBondContact CB-O 3.38Å; S186-D239 PolarHBondContact N-OD2 3.01Å; S186-D239 WeakPolarHBondContact OG-CB 3.37Å; S186-V240 WeakPolarHBondContact O-CB 3.43Å; S186-V240 PolarHBondContact O-N 2.78Å; S186-V240 VanDerWaalsContact O-N 3.13Å
187	V	98.8	Very high	97.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122	172.5	173.2	0	0	0	0	108.7	A175 F176 A179 I217 E218 F219 C220 V240 V242	A175-V187 HydrophobicContact CB-CG1 4.45Å; F176-V187 HydrophobicContact CD1-CB 4.24Å; F176-V187 HydrophobicContact CD1-CG2 3.95Å; F176-V187 HydrophobicContact CE1-CB 3.82Å; F176-V187 HydrophobicContact CE1-CG1 4.23Å; F176-V187 HydrophobicContact CE1-CG2 4.06Å; F176-V187 HydrophobicContact CE2-CG1 4.34Å; F176-V187 HydrophobicContact CG-CG2 4.47Å; F176-V187 HydrophobicContact CZ-CB 4.11Å; F176-V187 HydrophobicContact CZ-CG1 4.05Å; A179-V187 HydrophobicContact CB-CG2 3.76Å; V187-I217 HydrophobicContact CB-CG2 4.19Å; V187-I217 HydrophobicContact CG2-CG2 3.72Å; V187-E218 PolarHBondContact N-O 2.94Å; V187-F219 WeakPolarHBondContact O-CA 3.34Å; V187-F219 WeakPolarHBondContact O-CD2 3.45Å; V187-C220 PolarHBondContact O-N 3.44Å; V187-C220 VanDerWaalsContact O-N 3.17Å; V187-V240 CarbonylContact C-O 3.55Å; V187-V240 VanDerWaalsContact CA-O 3.32Å; V187-V240 WeakPolarHBondContact CA-O 3.43Å; V187-V240 HydrophobicContact CG2-CB 3.98Å; V187-V240 HydrophobicContact CG2-CG1 4.16Å; V187-V242 HydrophobicContact CG1-CB 4.29Å; V187-V242 HydrophobicContact CG1-CG1 3.63Å
188	T	98.8	Very high	97.5	Very high	4 Å²	4	64.3 Å²	64.3	3%	0.025	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.6	173.7	-50.9	0	0	0	0	110.6	C220 M222 V240 L241 V242	T188-C220 CarbonylContact C-O 3.58Å; T188-C220 VanDerWaalsContact CA-O 3.24Å; T188-C220 WeakPolarHBondContact CA-O 3.23Å; T188-C220 PolarHBondContact OG1-SG 3.04Å; T188-M222 HydrophobicContact CG2-CB 3.88Å; T188-V240 PolarHBondContact N-O 2.88Å; T188-L241 HydrophobicContact CG2-CD2 4.29Å; T188-L241 WeakPolarHBondContact O-CA 3.35Å; T188-V242 PolarHBondContact O-N 3.33Å
189	A	98.8	Very high	97.5	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	120.1	169.4	0	0	0	0	0	110.6	F203 L204 C207 F219 C220 D221 M222 V242	A189-F203 HydrophobicContact CB-CE1 4.43Å; A189-L204 HydrophobicContact CB-CD1 4.3Å; A189-C207 HydrophobicContact CB-CB 3.92Å; A189-F219 HydrophobicContact CB-CE2 3.74Å; A189-F219 HydrophobicContact CB-CZ 3.89Å; A189-C220 PolarHBondContact N-O 2.75Å; A189-D221 HydrophobicContact CB-CB 4.32Å; A189-D221 WeakPolarHBondContact O-CA 3.42Å; A189-M222 PolarHBondContact O-N 2.91Å; A189-V242 WeakPolarHBondContact CA-O 3.42Å; A189-V242 HydrophobicContact CB-CG1 4.16Å
190	V	98.7	Very high	97.5	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	127.5	179.2	-169.1	0	0	0	0	110.6	M222 L224 V227 L241 V242 M243 P244 L251	V190-M222 WeakPolarHBondContact CA-O 3.21Å; V190-L224 HydrophobicContact CG1-CB 4.06Å; V190-L224 HydrophobicContact CG1-CD1 3.91Å; V190-V227 HydrophobicContact CG1-CB 4.31Å; V190-V227 HydrophobicContact CG1-CG2 3.92Å; V190-V227 HydrophobicContact CG2-CG1 4.46Å; V190-V227 HydrophobicContact CG2-CG2 4.03Å; V190-L241 HydrophobicContact CG2-CB 4.31Å; V190-L241 HydrophobicContact CG2-CD2 4.46Å; V190-V242 PolarHBondContact N-O 3.33Å; V190-M243 HydrophobicContact CB-CB 3.83Å; V190-M243 HydrophobicContact CG2-CB 4.31Å; V190-M243 HydrophobicContact CG2-CE 4.23Å; V190-M243 HydrophobicContact CG2-SD 4.37Å; V190-P244 WeakPolarHBondContact O-CD 3.26Å; V190-L251 HydrophobicContact CB-CD1 4.36Å; V190-L251 HydrophobicContact CG1-CD1 3.83Å; V190-L251 HydrophobicContact CG2-CD1 4.1Å
191	H	98.3	Very high	97.5	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.019	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	174.6	-174.5	68.5	103.5	0	0	0	113.2	A193 D200 D221 M222 F223 L224	H191-A193 WeakPolarHBondContact ND1-CB 3.2Å; H191-A193 PolarHBondContact ND1-N 2.85Å; H191-D200 HydrophobicContact CB-CB 4.24Å; H191-D221 IonicContact CE1-OD1 3.18Å; H191-D221 IonicContact NE2-OD1 3.68Å; H191-D221 PolarHBondContact NE2-OD1 3.47Å; H191-M222 PolarHBondContact CD2-O 3.35Å; H191-M222 VanDerWaalsContact CD2-O 3.29Å; H191-M222 PolarHBondContact N-O 3.36Å; H191-M222 VanDerWaalsContact N-O 3.11Å; H191-F223 AromaticContact CE1-CD1 3.6Å; H191-F223 AromaticContact CE1-CE1 3.51Å; H191-F223 CarbonylContact O-C 3.53Å; H191-F223 WeakPolarHBondContact O-CA 3.36Å; H191-L224 PolarHBondContact O-N 3.04Å
192	K	97.3	Very high	97.6	Very high	42 Å²	42	56 Å²	56	18%	0.183	29%	0.286	C	S	.	.			trans	-135.5	47.1	170.3	-164.4	77.4	-174.5	-173	0	110.2	N194 I195 M196 D200 D225	K192-N194 PolarHBondContact O-N 3.06Å; K192-N194 VanDerWaalsContact O-N 3.17Å; K192-N194 PolarHBondContact O-OD1 3.19Å; K192-I195 HydrophobicContact CG-CB 4.21Å; K192-I195 HydrophobicContact CG-CG1 4.06Å; K192-I195 PolarHBondContact O-N 3.16Å; K192-M196 HydrophobicContact CB-CE 3.81Å; K192-M196 HydrophobicContact CG-CE 4.28Å; K192-M196 PolarHBondContact O-N 2.87Å; K192-D200 WeakPolarHBondContact CA-OD2 3.11Å; K192-D200 PolarHBondContact N-OD2 2.83Å; K192-D225 IonicContact NZ-OD1 3.23Å; K192-D225 PolarHBondContact NZ-OD1 2.72Å; K192-D225 IonicContact NZ-OD2 2.71Å; K192-D225 PolarHBondContact NZ-OD2 2.85Å
193	A	96	Very high	97.7	Very high	18 Å²	18	52 Å²	52	15%	0.149	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.2	-173.2	0	0	0	0	0	114.2	H191 I195 R197 D200 L204	H191-A193 WeakPolarHBondContact ND1-CB 3.2Å; H191-A193 PolarHBondContact ND1-N 2.85Å; A193-I195 VanDerWaalsContact C-N 3.25Å; A193-I195 PolarHBondContact O-N 2.77Å; A193-R197 VanDerWaalsContact O-CA 3.31Å; A193-R197 WeakPolarHBondContact O-CA 3.5Å; A193-R197 WeakPolarHBondContact O-CG 3.5Å; A193-R197 PolarHBondContact O-N 3.46Å; A193-D200 HydrophobicContact CB-CB 3.98Å; A193-L204 HydrophobicContact CB-CD2 4.48Å
194	N	95	Very high	97.8	Very high	81 Å²	81	49.4 Å²	49.4	43%	0.433	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-29.3	170.4	64.3	-35.4	0	0	0	112.5	K192 F223	K192-N194 PolarHBondContact O-N 3.06Å; K192-N194 VanDerWaalsContact O-N 3.17Å; K192-N194 PolarHBondContact O-OD1 3.19Å; N194-F223 HydrophobicContact CB-CE1 4.15Å; N194-F223 HydrophobicContact CB-CZ 4.17Å
195	I	96.9	Very high	97.8	Very high	122 Å²	122	53.1 Å²	53.1	63%	0.626	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-55.6	174.5	-54.4	-55.7	0	0	0	109.7	K192 A193 R197	K192-I195 HydrophobicContact CG-CB 4.21Å; K192-I195 HydrophobicContact CG-CG1 4.06Å; K192-I195 PolarHBondContact O-N 3.16Å; A193-I195 VanDerWaalsContact C-N 3.25Å; A193-I195 PolarHBondContact O-N 2.77Å; I195-R197 VanDerWaalsContact C-N 3.33Å; I195-R197 PolarHBondContact O-N 3.04Å; I195-R197 VanDerWaalsContact O-N 3.12Å
196	M	96.7	Very high	97.9	Very high	52 Å²	52	44 Å²	44	26%	0.256	21%	0.214	S	C	.	.	S	Bend	trans	-89.6	66.1	-179	-80.5	170.3	-75.3	0	0	111.5	K161 K192 M198 S199 D200 G201 Y247	K161-M196 HydrophobicContact CD-SD 3.57Å; K161-M196 VanDerWaalsContact CD-SD 3.57Å; K161-M196 PolarHBondContact NZ-SD 3.42Å; K192-M196 HydrophobicContact CB-CE 3.81Å; K192-M196 HydrophobicContact CG-CE 4.28Å; K192-M196 PolarHBondContact O-N 2.87Å; M196-M198 PolarHBondContact O-N 2.97Å; M196-M198 VanDerWaalsContact O-N 3.14Å; M196-S199 WeakPolarHBondContact CB-OG 3.49Å; M196-D200 HydrophobicContact CB-CB 3.98Å; M196-D200 WeakPolarHBondContact O-CB 3.28Å; M196-D200 PolarHBondContact O-N 2.93Å; M196-D200 VanDerWaalsContact O-N 3.14Å; M196-G201 PolarHBondContact O-N 2.85Å; M196-Y247 WeakPolarHBondContact CE-OH 3.29Å
197	R	96.7	Very high	97.9	Very high	200 Å²	200	43.2 Å²	43.2	76%	0.755	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-31.9	-172.6	-66.6	-175	-72.8	171.3	-3.1	114.5	A193 I195 G201	A193-R197 VanDerWaalsContact O-CA 3.31Å; A193-R197 WeakPolarHBondContact O-CA 3.5Å; A193-R197 WeakPolarHBondContact O-CG 3.5Å; A193-R197 PolarHBondContact O-N 3.46Å; I195-R197 VanDerWaalsContact C-N 3.33Å; I195-R197 PolarHBondContact O-N 3.04Å; I195-R197 VanDerWaalsContact O-N 3.12Å; R197-G201 WeakPolarHBondContact O-CA 3.41Å
198	M	97.9	Very high	97.9	Very high	169 Å²	169	49.1 Å²	49.1	83%	0.833	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-54.9	-177.1	-66.2	179.6	68.6	0	0	112.8	M196 L202	M196-M198 PolarHBondContact O-N 2.97Å; M196-M198 VanDerWaalsContact O-N 3.14Å; M198-L202 WeakPolarHBondContact O-CB 3.31Å; M198-L202 PolarHBondContact O-N 3.47Å
199	S	97.7	Very high	97.9	Very high	29 Å²	29	52.2 Å²	52.2	20%	0.203	25%	0.245	C	C	.	.	H	α-helix	trans	-67.3	-57.4	-177	43.8	0	0	0	0	111.6	M196 G201 L202 F203	M196-S199 WeakPolarHBondContact CB-OG 3.49Å; S199-G201 VanDerWaalsContact C-N 3.27Å; S199-G201 PolarHBondContact O-N 3.4Å; S199-L202 WeakPolarHBondContact O-CB 3.2Å; S199-L202 PolarHBondContact O-N 2.88Å; S199-F203 PolarHBondContact O-N 3.27Å; S199-F203 VanDerWaalsContact O-N 3.12Å
200	D	98.3	Very high	97.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-70.4	-28.4	176.8	-73.2	31.3	0	0	0	111.7	K161 H191 K192 A193 M196 L202 F203 L204 Y247	K161-D200 IonicContact NZ-OD1 3.93Å; K161-D200 PolarHBondContact NZ-OD1 2.83Å; K161-D200 IonicContact NZ-OD2 3.93Å; H191-D200 HydrophobicContact CB-CB 4.24Å; K192-D200 WeakPolarHBondContact CA-OD2 3.11Å; K192-D200 PolarHBondContact N-OD2 2.83Å; A193-D200 HydrophobicContact CB-CB 3.98Å; M196-D200 HydrophobicContact CB-CB 3.98Å; M196-D200 WeakPolarHBondContact O-CB 3.28Å; M196-D200 PolarHBondContact O-N 2.93Å; M196-D200 VanDerWaalsContact O-N 3.14Å; D200-L202 VanDerWaalsContact C-N 3.34Å; D200-F203 PolarHBondContact O-N 3.15Å; D200-L204 WeakPolarHBondContact O-CB 3.48Å; D200-L204 PolarHBondContact O-N 3.49Å; D200-Y247 PolarHBondContact OD1-OH 3.43Å; D200-Y247 VanDerWaalsContact OD2-CE2 3.27Å; D200-Y247 WeakPolarHBondContact OD2-CE2 3.31Å; D200-Y247 PolarHBondContact OD2-OH 3.02Å
201	G	98.3	Very high	97.8	Very high	22 Å²	22	53.1 Å²	53.1	23%	0.227	25%	0.252	C	S	.	.	H	α-helix	trans	-62.6	-38.9	171.1	0	0	0	0	0	113	M196 R197 S199 R205	M196-G201 PolarHBondContact O-N 2.85Å; R197-G201 WeakPolarHBondContact O-CA 3.41Å; S199-G201 VanDerWaalsContact C-N 3.27Å; S199-G201 PolarHBondContact O-N 3.4Å; G201-R205 VanDerWaalsContact O-CB 3.32Å; G201-R205 WeakPolarHBondContact O-CB 3.38Å; G201-R205 PolarHBondContact O-N 3.31Å
202	L	98.6	Very high	97.8	Very high	29 Å²	29	55.6 Å²	55.6	15%	0.152	27%	0.273	C	S	.	.	H	α-helix	trans	-64.7	-52.4	172.6	171.7	61.3	0	0	0	110.9	I163 E165 M198 S199 D200 L204 R205 V206	I163-L202 HydrophobicContact CG2-CD2 4.26Å; I163-L202 HydrophobicContact CG2-CG 4.46Å; E165-L202 HydrophobicContact CB-CD1 4.18Å; E165-L202 HydrophobicContact CG-CD1 4.43Å; M198-L202 WeakPolarHBondContact O-CB 3.31Å; M198-L202 PolarHBondContact O-N 3.47Å; S199-L202 WeakPolarHBondContact O-CB 3.2Å; S199-L202 PolarHBondContact O-N 2.88Å; D200-L202 VanDerWaalsContact C-N 3.34Å; L202-L204 VanDerWaalsContact C-N 3.31Å; L202-L204 PolarHBondContact O-N 3.17Å; L202-R205 PolarHBondContact O-N 3.31Å; L202-V206 HydrophobicContact CD1-CG2 4.05Å; L202-V206 WeakPolarHBondContact O-CG2 3.38Å; L202-V206 PolarHBondContact O-N 3.28Å
203	F	98.8	Very high	97.8	Very high	1 Å²	1	60.2 Å²	60.2	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-54.5	-47.6	178.4	177.5	-96.2	0	0	0	112	I163 V171 A189 S199 D200 V206 C207 V242 P244	I163-F203 HydrophobicContact CG2-CB 4.23Å; V171-F203 HydrophobicContact CG1-CE2 3.96Å; A189-F203 HydrophobicContact CB-CE1 4.43Å; S199-F203 PolarHBondContact O-N 3.27Å; S199-F203 VanDerWaalsContact O-N 3.12Å; D200-F203 PolarHBondContact O-N 3.15Å; F203-V206 PolarHBondContact O-N 2.73Å; F203-C207 VanDerWaalsContact CE1-SG 3.53Å; F203-C207 VanDerWaalsContact CZ-SG 3.58Å; F203-C207 PolarHBondContact O-N 3.22Å; F203-C207 PolarHBondContact O-SG 3.19Å; F203-V242 HydrophobicContact CZ-CG2 4.28Å; F203-P244 HydrophobicContact CD1-CG 4.04Å; F203-P244 HydrophobicContact CD2-CG 4.11Å; F203-P244 HydrophobicContact CE1-CG 4.24Å; F203-P244 HydrophobicContact CE2-CG 4.3Å; F203-P244 HydrophobicContact CG-CG 3.98Å; F203-P244 HydrophobicContact CZ-CG 4.37Å
204	L	98.3	Very high	97.8	Very high	11 Å²	11	60.3 Å²	60.3	6%	0.058	29%	0.292	C	S	.	.	H	α-helix	trans	-64	-43.2	-179.8	177.8	58.5	0	0	0	112.6	A189 A193 D200 L202 V206 C207 R208 F219 D221	A189-L204 HydrophobicContact CB-CD1 4.3Å; A193-L204 HydrophobicContact CB-CD2 4.48Å; D200-L204 WeakPolarHBondContact O-CB 3.48Å; D200-L204 PolarHBondContact O-N 3.49Å; L202-L204 VanDerWaalsContact C-N 3.31Å; L202-L204 PolarHBondContact O-N 3.17Å; L204-V206 VanDerWaalsContact C-N 3.33Å; L204-V206 PolarHBondContact O-N 3.38Å; L204-C207 PolarHBondContact O-N 2.9Å; L204-R208 HydrophobicContact CD1-CG 4.48Å; L204-R208 WeakPolarHBondContact O-CG 3.23Å; L204-R208 PolarHBondContact O-N 2.95Å; L204-F219 HydrophobicContact CD1-CZ 4.47Å; L204-D221 HydrophobicContact CD1-CB 3.36Å
205	R	98.4	Very high	97.8	Very high	123 Å²	123	67 Å²	67	46%	0.464	31%	0.311	S	S	.	.	H	α-helix	trans	-59.3	-45.8	175.8	169.2	169.1	41.8	108.5	-1.8	111.1	G201 L202 C207 R208 E209	G201-R205 VanDerWaalsContact O-CB 3.32Å; G201-R205 WeakPolarHBondContact O-CB 3.38Å; G201-R205 PolarHBondContact O-N 3.31Å; L202-R205 PolarHBondContact O-N 3.31Å; R205-C207 PolarHBondContact O-N 3.12Å; R205-R208 WeakPolarHBondContact O-CB 3.45Å; R205-R208 PolarHBondContact O-N 2.88Å; R205-E209 WeakPolarHBondContact CG-OE1 3.43Å; R205-E209 WeakPolarHBondContact O-CG 3.35Å; R205-E209 PolarHBondContact O-N 3.11Å
206	V	98.6	Very high	97.8	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-41.5	177.9	173.9	0	0	0	0	111.6	E165 R169 L202 F203 L204 R208 E209 E210	E165-V206 HydrophobicContact CG-CG2 3.78Å; R169-V206 HydrophobicContact CB-CG1 3.7Å; R169-V206 HydrophobicContact CG-CG1 4.17Å; L202-V206 HydrophobicContact CD1-CG2 4.05Å; L202-V206 WeakPolarHBondContact O-CG2 3.38Å; L202-V206 PolarHBondContact O-N 3.28Å; F203-V206 PolarHBondContact O-N 2.73Å; L204-V206 VanDerWaalsContact C-N 3.33Å; L204-V206 PolarHBondContact O-N 3.38Å; V206-R208 VanDerWaalsContact C-N 3.32Å; V206-R208 PolarHBondContact O-N 2.89Å; V206-E209 PolarHBondContact O-N 3.27Å; V206-E210 PolarHBondContact O-N 3.12Å
207	C	98.7	Very high	97.9	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.4	-41.2	174.9	-68.7	0	0	0	0	112.2	A189 F203 L204 R205 E210 A211 F219	A189-C207 HydrophobicContact CB-CB 3.92Å; F203-C207 VanDerWaalsContact CE1-SG 3.53Å; F203-C207 VanDerWaalsContact CZ-SG 3.58Å; F203-C207 PolarHBondContact O-N 3.22Å; F203-C207 PolarHBondContact O-SG 3.19Å; L204-C207 PolarHBondContact O-N 2.9Å; R205-C207 PolarHBondContact O-N 3.12Å; C207-E210 PolarHBondContact O-N 2.54Å; C207-A211 WeakPolarHBondContact O-CB 3.48Å; C207-A211 PolarHBondContact O-N 3.13Å; C207-F219 HydrophobicContact CB-CE2 4.03Å; C207-F219 HydrophobicContact CB-CZ 4.08Å
208	R	98.5	Very high	98	Very high	124 Å²	124	61.1 Å²	61.1	47%	0.468	29%	0.289	S	S	.	.	H	α-helix	trans	-65.3	-38.2	175.9	-75.2	169.6	177.5	168.3	-0.8	112.5	L204 R205 V206 A211 A212 F219 D221	L204-R208 HydrophobicContact CD1-CG 4.48Å; L204-R208 WeakPolarHBondContact O-CG 3.23Å; L204-R208 PolarHBondContact O-N 2.95Å; R205-R208 WeakPolarHBondContact O-CB 3.45Å; R205-R208 PolarHBondContact O-N 2.88Å; V206-R208 VanDerWaalsContact C-N 3.32Å; V206-R208 PolarHBondContact O-N 2.89Å; R208-A211 WeakPolarHBondContact O-CB 3.44Å; R208-A211 PolarHBondContact O-N 2.91Å; R208-A212 PolarHBondContact O-N 3.31Å; R208-F219 HydrophobicContact CB-CE1 4.42Å; R208-F219 HydrophobicContact CG-CD1 4.42Å; R208-F219 HydrophobicContact CG-CE1 3.46Å; R208-F219 VanDerWaalsContact CG-CE1 3.46Å; R208-F219 HydrophobicContact CG-CZ 3.88Å; R208-D221 IonicContact CZ-OD2 3.33Å; R208-D221 IonicContact NE-OD2 3.73Å; R208-D221 PolarHBondContact NE-OD2 2.77Å; R208-D221 VanDerWaalsContact NH2-CG 3.3Å; R208-D221 IonicContact NH2-OD1 3.44Å; R208-D221 PolarHBondContact NH2-OD1 3.07Å; R208-D221 IonicContact NH2-OD2 4Å; R208-D221 PolarHBondContact NH2-OD2 2.92Å
209	E	98.5	Very high	98	Very high	70 Å²	70	55.5 Å²	55.5	33%	0.327	26%	0.26	S	S	.	.	H	α-helix	trans	-64.6	-47.7	174.8	-72	169.3	-164.9	0	0	111.5	R169 R205 V206 A211 A212 H213	R169-E209 IonicContact CZ-OE2 2.88Å; R169-E209 IonicContact NH1-OE2 3.95Å; R169-E209 PolarHBondContact NH1-OE2 3.28Å; R169-E209 IonicContact NH2-OE2 3.85Å; R169-E209 PolarHBondContact NH2-OE2 3.03Å; R205-E209 WeakPolarHBondContact CG-OE1 3.43Å; R205-E209 WeakPolarHBondContact O-CG 3.35Å; R205-E209 PolarHBondContact O-N 3.11Å; V206-E209 PolarHBondContact O-N 3.27Å; E209-A211 VanDerWaalsContact C-N 3.33Å; E209-A211 PolarHBondContact O-N 2.79Å; E209-A212 WeakPolarHBondContact O-CB 3.47Å; E209-A212 PolarHBondContact O-N 3.06Å; E209-H213 PolarHBondContact O-CD2 3.33Å
210	E	98.2	Very high	98	Very high	5 Å²	5	56.1 Å²	56.1	2%	0.023	27%	0.265	C	S	.	.	H	α-helix	trans	-64.5	-37.9	176.1	-64.7	-64.4	130.9	0	0	111.2	R169 A172 R173 F176 V206 C207 A212 H213 H214	R169-E210 WeakPolarHBondContact CD-OE1 3.48Å; R169-E210 HydrophobicContact CG-CG 4.23Å; R169-E210 WeakPolarHBondContact CG-OE1 3.41Å; R169-E210 IonicContact CZ-OE1 3.43Å; R169-E210 IonicContact NH1-OE1 2.78Å; R169-E210 PolarHBondContact NH1-OE1 2.93Å; A172-E210 HydrophobicContact CB-CB 4.17Å; A172-E210 HydrophobicContact CB-CG 3.95Å; R173-E210 WeakPolarHBondContact CB-OE2 3.45Å; R173-E210 IonicContact CZ-OE2 2.73Å; R173-E210 IonicContact NE-OE2 2.88Å; R173-E210 PolarHBondContact NE-OE2 3.3Å; R173-E210 IonicContact NH2-OE1 3.27Å; R173-E210 IonicContact NH2-OE2 3.13Å; F176-E210 HydrophobicContact CD2-CB 4.04Å; F176-E210 HydrophobicContact CE2-CB 4.14Å; V206-E210 PolarHBondContact O-N 3.12Å; C207-E210 PolarHBondContact O-N 2.54Å; E210-A212 PolarHBondContact O-N 3.42Å; E210-H213 WeakPolarHBondContact O-CB 3.37Å; E210-H213 PolarHBondContact O-N 2.93Å; E210-H214 PolarHBondContact O-CD2 3.26Å; E210-H214 PolarHBondContact O-N 3.32Å
211	A	98.3	Very high	98	Very high	13 Å²	13	58.9 Å²	58.9	11%	0.107	28%	0.279	C	S	.	.	H	α-helix	trans	-55.3	-37.3	174.2	0	0	0	0	0	112.9	F176 C207 R208 E209 H213 H214 F219	F176-A211 HydrophobicContact CE1-CB 4.06Å; F176-A211 HydrophobicContact CE2-CB 4.14Å; F176-A211 VanDerWaalsContact CZ-CA 3.46Å; F176-A211 HydrophobicContact CZ-CB 3.47Å; F176-A211 VanDerWaalsContact CZ-CB 3.47Å; C207-A211 WeakPolarHBondContact O-CB 3.48Å; C207-A211 PolarHBondContact O-N 3.13Å; R208-A211 WeakPolarHBondContact O-CB 3.44Å; R208-A211 PolarHBondContact O-N 2.91Å; E209-A211 VanDerWaalsContact C-N 3.33Å; E209-A211 PolarHBondContact O-N 2.79Å; A211-H213 PolarHBondContact O-N 3.14Å; A211-H214 CarbonylContact O-C 3.53Å; A211-H214 PolarHBondContact O-N 3.07Å; A211-F219 HydrophobicContact CB-CB 3.67Å; A211-F219 HydrophobicContact CB-CD1 3.94Å; A211-F219 HydrophobicContact CB-CD2 3.93Å; A211-F219 HydrophobicContact CB-CG 3.54Å
212	A	97.7	Very high	98	Very high	56 Å²	56	59.9 Å²	59.9	46%	0.463	28%	0.279	S	S	.	.	H	α-helix	trans	-64.7	-21.1	178.7	0	0	0	0	0	113.5	R208 E209 E210	R208-A212 PolarHBondContact O-N 3.31Å; E209-A212 WeakPolarHBondContact O-CB 3.47Å; E209-A212 PolarHBondContact O-N 3.06Å; E210-A212 PolarHBondContact O-N 3.42Å
213	H	97.3	Very high	98	Very high	139 Å²	139	62.4 Å²	62.4	64%	0.644	29%	0.288	S	S	*	.	H	α-helix	trans	-87.9	-12.9	174.8	-62.3	-55.2	0	0	0	113.7	E209 E210 A211	E209-H213 PolarHBondContact O-CD2 3.33Å; E210-H213 WeakPolarHBondContact O-CB 3.37Å; E210-H213 PolarHBondContact O-N 2.93Å; A211-H213 PolarHBondContact O-N 3.14Å
214	H	97.3	Very high	98	Very high	20 Å²	20	63.8 Å²	63.8	9%	0.093	30%	0.296	C	S	.	.			trans	-125	58	-176.8	-67	-88.3	0	0	0	111	F176 E210 A211 E216 I217	F176-H214 HydrophobicContact CB-CB 4.11Å; F176-H214 HydrophobicContact CD1-CB 3.73Å; F176-H214 HydrophobicContact CE1-CB 4.45Å; F176-H214 HydrophobicContact CG-CB 4.08Å; F176-H214 AromaticContact CG-CD2 3.9Å; E210-H214 PolarHBondContact O-CD2 3.26Å; E210-H214 PolarHBondContact O-N 3.32Å; A211-H214 CarbonylContact O-C 3.53Å; A211-H214 PolarHBondContact O-N 3.07Å; H214-E216 VanDerWaalsContact C-OE2 3.24Å; H214-E216 WeakPolarHBondContact CA-OE2 3.49Å; H214-E216 PolarHBondContact O-N 3.5Å; H214-E216 VanDerWaalsContact O-N 3.1Å; H214-I217 HydrophobicContact CB-CG1 4.47Å; H214-I217 PolarHBondContact O-N 3.41Å
215	R	95.2	Very high	97.9	Very high	221 Å²	221	67 Å²	67	83%	0.834	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.4	-172.2	-61.6	-172.3	-177.3	-164.7	0.1	114.6	I217	R215-I217 VanDerWaalsContact C-N 3.27Å
216	E	96.7	Very high	97.9	Very high	106 Å²	106	63.5 Å²	63.5	50%	0.495	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-14.9	173.7	66.6	-90.1	-141	0	0	113.6	K180 H214	K180-E216 WeakPolarHBondContact CD-OE1 3.44Å; K180-E216 WeakPolarHBondContact CE-OE1 3.42Å; K180-E216 IonicContact NZ-OE1 3.95Å; K180-E216 PolarHBondContact NZ-OE1 2.96Å; H214-E216 VanDerWaalsContact C-OE2 3.24Å; H214-E216 WeakPolarHBondContact CA-OE2 3.49Å; H214-E216 PolarHBondContact O-N 3.5Å; H214-E216 VanDerWaalsContact O-N 3.1Å
217	I	98.4	Very high	97.9	Very high	12 Å²	12	63.5 Å²	63.5	6%	0.062	31%	0.305	C	S	.	.	S	Bend	trans	-103.5	127.6	177.6	-55.9	-58.2	0	0	0	109	F176 A179 R184 V187 H214 R215 F219	F176-I217 HydrophobicContact CD1-CB 4.03Å; F176-I217 HydrophobicContact CD1-CG1 4.4Å; F176-I217 HydrophobicContact CD1-CG2 3.92Å; F176-I217 HydrophobicContact CE1-CB 4.29Å; F176-I217 HydrophobicContact CE1-CG2 4.02Å; A179-I217 HydrophobicContact CB-CD1 4.09Å; A179-I217 HydrophobicContact CB-CG1 4.4Å; A179-I217 HydrophobicContact CB-CG2 4.33Å; R184-I217 WeakPolarHBondContact O-CD1 3.42Å; V187-I217 HydrophobicContact CB-CG2 4.19Å; V187-I217 HydrophobicContact CG2-CG2 3.72Å; H214-I217 HydrophobicContact CB-CG1 4.47Å; H214-I217 PolarHBondContact O-N 3.41Å; R215-I217 VanDerWaalsContact C-N 3.27Å; I217-F219 PolarHBondContact O-N 3.27Å
218	E	98.3	Very high	97.9	Very high	133 Å²	133	65.1 Å²	65.1	62%	0.621	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	127.5	173.3	-178.1	-176.1	170.7	0	0	109.8	R185 S186 V187	R185-E218 PolarHBondContact O-N 2.82Å; S186-E218 CarbonylContact C-O 3.51Å; S186-E218 WeakPolarHBondContact CA-O 3.23Å; S186-E218 WeakPolarHBondContact CB-O 3.38Å; V187-E218 PolarHBondContact N-O 2.94Å
219	F	98.6	Very high	97.8	Very high	51 Å²	51	63.7 Å²	63.7	22%	0.224	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	132	177.5	175.2	-101.3	0	0	0	111.2	F176 V187 A189 L204 C207 R208 A211 I217 D221	F176-F219 HydrophobicContact CE1-CB 4.44Å; F176-F219 HydrophobicContact CE1-CD2 4.33Å; F176-F219 HydrophobicContact CE2-CD2 4.5Å; F176-F219 HydrophobicContact CZ-CB 4.35Å; F176-F219 AromaticContact CZ-CD2 3.57Å; F176-F219 HydrophobicContact CZ-CD2 3.57Å; F176-F219 HydrophobicContact CZ-CE2 4.24Å; F176-F219 HydrophobicContact CZ-CG 4.24Å; V187-F219 WeakPolarHBondContact O-CA 3.34Å; V187-F219 WeakPolarHBondContact O-CD2 3.45Å; A189-F219 HydrophobicContact CB-CE2 3.74Å; A189-F219 HydrophobicContact CB-CZ 3.89Å; L204-F219 HydrophobicContact CD1-CZ 4.47Å; C207-F219 HydrophobicContact CB-CE2 4.03Å; C207-F219 HydrophobicContact CB-CZ 4.08Å; R208-F219 HydrophobicContact CB-CE1 4.42Å; R208-F219 HydrophobicContact CG-CD1 4.42Å; R208-F219 HydrophobicContact CG-CE1 3.46Å; R208-F219 VanDerWaalsContact CG-CE1 3.46Å; R208-F219 HydrophobicContact CG-CZ 3.88Å; A211-F219 HydrophobicContact CB-CB 3.67Å; A211-F219 HydrophobicContact CB-CD1 3.94Å; A211-F219 HydrophobicContact CB-CD2 3.93Å; A211-F219 HydrophobicContact CB-CG 3.54Å; I217-F219 PolarHBondContact O-N 3.27Å; F219-D221 HydrophobicContact CZ-CB 4.35Å
220	C	97.6	Very high	97.8	Very high	43 Å²	43	61.2 Å²	61.2	29%	0.291	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	161	167.2	58.4	0	0	0	0	110.8	V187 T188 A189	V187-C220 PolarHBondContact O-N 3.44Å; V187-C220 VanDerWaalsContact O-N 3.17Å; T188-C220 CarbonylContact C-O 3.58Å; T188-C220 VanDerWaalsContact CA-O 3.24Å; T188-C220 WeakPolarHBondContact CA-O 3.23Å; T188-C220 PolarHBondContact OG1-SG 3.04Å; A189-C220 PolarHBondContact N-O 2.75Å
221	D	97.9	Very high	97.8	Very high	58 Å²	58	61 Å²	61	31%	0.31	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	147.3	169.4	60	92.2	0	0	0	110.4	A189 H191 L204 R208 F219	A189-D221 HydrophobicContact CB-CB 4.32Å; A189-D221 WeakPolarHBondContact O-CA 3.42Å; H191-D221 IonicContact CE1-OD1 3.18Å; H191-D221 IonicContact NE2-OD1 3.68Å; H191-D221 PolarHBondContact NE2-OD1 3.47Å; L204-D221 HydrophobicContact CD1-CB 3.36Å; R208-D221 IonicContact CZ-OD2 3.33Å; R208-D221 IonicContact NE-OD2 3.73Å; R208-D221 PolarHBondContact NE-OD2 2.77Å; R208-D221 VanDerWaalsContact NH2-CG 3.3Å; R208-D221 IonicContact NH2-OD1 3.44Å; R208-D221 PolarHBondContact NH2-OD1 3.07Å; R208-D221 IonicContact NH2-OD2 4Å; R208-D221 PolarHBondContact NH2-OD2 2.92Å; F219-D221 HydrophobicContact CZ-CB 4.35Å
222	M	98.4	Very high	97.7	Very high	43 Å²	43	63.6 Å²	63.6	21%	0.212	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	144.2	-175.5	-166.8	174.8	-66.2	0	0	111.1	T188 A189 V190 H191 T226 V227 N230 F238	T188-M222 HydrophobicContact CG2-CB 3.88Å; A189-M222 PolarHBondContact O-N 2.91Å; V190-M222 WeakPolarHBondContact CA-O 3.21Å; H191-M222 PolarHBondContact CD2-O 3.35Å; H191-M222 VanDerWaalsContact CD2-O 3.29Å; H191-M222 PolarHBondContact N-O 3.36Å; H191-M222 VanDerWaalsContact N-O 3.11Å; M222-T226 HydrophobicContact CG-CG2 3.88Å; M222-T226 HydrophobicContact SD-CG2 3.8Å; M222-V227 HydrophobicContact CB-CG2 3.67Å; M222-V227 HydrophobicContact CG-CG2 3.6Å; M222-V227 HydrophobicContact SD-CB 4.43Å; M222-V227 HydrophobicContact SD-CG2 3.59Å; M222-V227 VanDerWaalsContact SD-CG2 3.59Å; M222-N230 PolarHBondContact SD-ND2 3.36Å; M222-N230 VanDerWaalsContact SD-ND2 3.41Å; M222-F238 HydrophobicContact CE-CE1 4.12Å; M222-F238 HydrophobicContact CE-CZ 4.39Å; M222-F238 HydrophobicContact SD-CE1 3.95Å; M222-F238 HydrophobicContact SD-CZ 3.92Å
223	F	98.3	Very high	97.6	Very high	81 Å²	81	67 Å²	67	36%	0.355	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	141.1	174.9	-60	-47.8	0	0	0	111.7	H191 N194 D225 T226 V227	H191-F223 AromaticContact CE1-CD1 3.6Å; H191-F223 AromaticContact CE1-CE1 3.51Å; H191-F223 CarbonylContact O-C 3.53Å; H191-F223 WeakPolarHBondContact O-CA 3.36Å; N194-F223 HydrophobicContact CB-CE1 4.15Å; N194-F223 HydrophobicContact CB-CZ 4.17Å; F223-D225 VanDerWaalsContact C-N 3.31Å; F223-D225 VanDerWaalsContact CB-OD1 3.23Å; F223-D225 WeakPolarHBondContact CB-OD1 3.33Å; F223-D225 PolarHBondContact O-N 3.13Å; F223-T226 CarbonylContact O-C 3.37Å; F223-T226 WeakPolarHBondContact O-CA 3.31Å; F223-T226 WeakPolarHBondContact O-CB 3.43Å; F223-T226 PolarHBondContact O-N 2.97Å; F223-V227 WeakPolarHBondContact O-CG2 3.2Å; F223-V227 PolarHBondContact O-N 2.88Å
224	L	97.9	Very high	97.6	Very high	30 Å²	30	63.3 Å²	63.3	16%	0.157	31%	0.311	C	S	.	.	H	α-helix	trans	-49	-48.4	-178.9	174.3	62.5	0	0	0	113.2	V190 H191 V227 C228 Y247 L251	V190-L224 HydrophobicContact CG1-CB 4.06Å; V190-L224 HydrophobicContact CG1-CD1 3.91Å; H191-L224 PolarHBondContact O-N 3.04Å; L224-V227 PolarHBondContact O-N 3.48Å; L224-C228 PolarHBondContact O-N 3.36Å; L224-C228 PolarHBondContact O-SG 3.41Å; L224-C228 VanDerWaalsContact O-SG 3.36Å; L224-Y247 HydrophobicContact CD1-CG 4.21Å; L224-Y247 HydrophobicContact CD2-CD1 3.61Å; L224-Y247 HydrophobicContact CD2-CE1 3.91Å; L224-Y247 HydrophobicContact CD2-CG 4Å; L224-L251 HydrophobicContact CD1-CD1 3.71Å; L224-L251 HydrophobicContact CD1-CD2 4.37Å; L224-L251 HydrophobicContact CD1-CG 3.88Å
225	D	97.4	Very high	97.6	Very high	80 Å²	80	62.6 Å²	62.6	43%	0.428	31%	0.308	S	S	.	.	H	α-helix	trans	-64.5	-39.3	178.2	50.1	-34.5	0	0	0	112.6	K192 F223 V227 C228 L229	K192-D225 IonicContact NZ-OD1 3.23Å; K192-D225 PolarHBondContact NZ-OD1 2.72Å; K192-D225 IonicContact NZ-OD2 2.71Å; K192-D225 PolarHBondContact NZ-OD2 2.85Å; F223-D225 VanDerWaalsContact C-N 3.31Å; F223-D225 VanDerWaalsContact CB-OD1 3.23Å; F223-D225 WeakPolarHBondContact CB-OD1 3.33Å; F223-D225 PolarHBondContact O-N 3.13Å; D225-V227 VanDerWaalsContact C-N 3.34Å; D225-C228 PolarHBondContact O-N 3.47Å; D225-L229 WeakPolarHBondContact O-CB 3.47Å; D225-L229 PolarHBondContact O-N 2.91Å
226	T	98.1	Very high	97.7	Very high	49 Å²	49	55.4 Å²	55.4	30%	0.301	29%	0.289	S	S	.	.	H	α-helix	trans	-66.3	-37.4	174.1	-52.2	0	0	0	0	111.6	M222 F223 L229 N230	M222-T226 HydrophobicContact CG-CG2 3.88Å; M222-T226 HydrophobicContact SD-CG2 3.8Å; F223-T226 CarbonylContact O-C 3.37Å; F223-T226 WeakPolarHBondContact O-CA 3.31Å; F223-T226 WeakPolarHBondContact O-CB 3.43Å; F223-T226 PolarHBondContact O-N 2.97Å; T226-L229 PolarHBondContact O-N 2.93Å; T226-N230 VanDerWaalsContact O-CB 3.28Å; T226-N230 WeakPolarHBondContact O-CB 3.43Å; T226-N230 PolarHBondContact O-N 3.03Å; T226-N230 PolarHBondContact O-ND2 2.91Å
227	V	98.3	Very high	97.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.3	-47.9	173.5	175.6	0	0	0	0	110.5	V190 M222 F223 L224 D225 L229 N230 L231 F238 L241 L251	V190-V227 HydrophobicContact CG1-CB 4.31Å; V190-V227 HydrophobicContact CG1-CG2 3.92Å; V190-V227 HydrophobicContact CG2-CG1 4.46Å; V190-V227 HydrophobicContact CG2-CG2 4.03Å; M222-V227 HydrophobicContact CB-CG2 3.67Å; M222-V227 HydrophobicContact CG-CG2 3.6Å; M222-V227 HydrophobicContact SD-CB 4.43Å; M222-V227 HydrophobicContact SD-CG2 3.59Å; M222-V227 VanDerWaalsContact SD-CG2 3.59Å; F223-V227 WeakPolarHBondContact O-CG2 3.2Å; F223-V227 PolarHBondContact O-N 2.88Å; L224-V227 PolarHBondContact O-N 3.48Å; D225-V227 VanDerWaalsContact C-N 3.34Å; V227-L229 VanDerWaalsContact C-N 3.35Å; V227-L229 PolarHBondContact O-N 3.04Å; V227-N230 PolarHBondContact O-N 3.39Å; V227-L231 HydrophobicContact CG1-CD1 3.65Å; V227-L231 HydrophobicContact CG1-CG 4.12Å; V227-L231 WeakPolarHBondContact O-CB 3.45Å; V227-L231 VanDerWaalsContact O-CG 3.3Å; V227-L231 WeakPolarHBondContact O-CG 3.2Å; V227-L231 PolarHBondContact O-N 2.88Å; V227-F238 HydrophobicContact CG1-CE1 4.46Å; V227-F238 HydrophobicContact CG1-CZ 4.32Å; V227-F238 HydrophobicContact CG2-CE1 4.48Å; V227-L241 HydrophobicContact CG1-CD1 4.17Å; V227-L251 HydrophobicContact CB-CD1 4.4Å; V227-L251 HydrophobicContact CG1-CD1 3.75Å; V227-L251 HydrophobicContact CG1-CD2 4.02Å
228	C	98.2	Very high	97.6	Very high	34 Å²	34	57.8 Å²	57.8	23%	0.23	29%	0.293	C	S	.	.	H	α-helix	trans	-56.1	-48.4	175.7	-68.1	0	0	0	0	111.9	L224 D225 L231 V232 L251 L254	L224-C228 PolarHBondContact O-N 3.36Å; L224-C228 PolarHBondContact O-SG 3.41Å; L224-C228 VanDerWaalsContact O-SG 3.36Å; D225-C228 PolarHBondContact O-N 3.47Å; C228-L231 PolarHBondContact O-N 3.09Å; C228-V232 PolarHBondContact O-N 2.85Å; C228-L251 VanDerWaalsContact SG-CD2 3.52Å; C228-L254 HydrophobicContact CB-CD1 4.19Å
229	L	98.1	Very high	97.6	Very high	94 Å²	94	52 Å²	52	49%	0.492	27%	0.267	S	S	.	.	H	α-helix	trans	-59	-48.8	177.8	176.2	65.3	0	0	0	111.7	D225 T226 V227 V232 Q233	D225-L229 WeakPolarHBondContact O-CB 3.47Å; D225-L229 PolarHBondContact O-N 2.91Å; T226-L229 PolarHBondContact O-N 2.93Å; V227-L229 VanDerWaalsContact C-N 3.35Å; V227-L229 PolarHBondContact O-N 3.04Å; L229-V232 WeakPolarHBondContact O-CG2 3.43Å; L229-V232 PolarHBondContact O-N 2.89Å; L229-Q233 HydrophobicContact CD1-CG 4.5Å; L229-Q233 WeakPolarHBondContact O-CG 3.37Å; L229-Q233 PolarHBondContact O-N 2.9Å
230	N	97.8	Very high	97.6	Very high	18 Å²	18	49.6 Å²	49.6	10%	0.096	26%	0.256	C	S	.	.	H	α-helix	trans	-69.8	-34.9	-176.9	-72.4	-13	0	0	0	111.9	M222 T226 V227 Q233 D234 F238	M222-N230 PolarHBondContact SD-ND2 3.36Å; M222-N230 VanDerWaalsContact SD-ND2 3.41Å; T226-N230 VanDerWaalsContact O-CB 3.28Å; T226-N230 WeakPolarHBondContact O-CB 3.43Å; T226-N230 PolarHBondContact O-N 3.03Å; T226-N230 PolarHBondContact O-ND2 2.91Å; V227-N230 PolarHBondContact O-N 3.39Å; N230-Q233 PolarHBondContact O-N 2.77Å; N230-D234 CarbonylContact O-C 3.45Å; N230-D234 VanDerWaalsContact O-C 3.31Å; N230-D234 PolarHBondContact O-N 2.8Å; N230-F238 HydrophobicContact CB-CE2 3.6Å; N230-F238 HydrophobicContact CB-CZ 3.58Å
231	L	97.5	Very high	97.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-40.3	177.2	-80.5	170.4	0	0	0	112	L134 V227 C228 Q233 P235 F238 L241 L251 L254 L258	L134-L231 HydrophobicContact CD2-CD2 3.5Å; L134-L231 VanDerWaalsContact CD2-CD2 3.5Å; V227-L231 HydrophobicContact CG1-CD1 3.65Å; V227-L231 HydrophobicContact CG1-CG 4.12Å; V227-L231 WeakPolarHBondContact O-CB 3.45Å; V227-L231 VanDerWaalsContact O-CG 3.3Å; V227-L231 WeakPolarHBondContact O-CG 3.2Å; V227-L231 PolarHBondContact O-N 2.88Å; C228-L231 PolarHBondContact O-N 3.09Å; L231-Q233 VanDerWaalsContact C-N 3.31Å; L231-P235 HydrophobicContact CD2-CB 4.08Å; L231-P235 WeakPolarHBondContact O-CB 3.4Å; L231-P235 VanDerWaalsContact O-CD 3.26Å; L231-P235 WeakPolarHBondContact O-CD 3.49Å; L231-F238 HydrophobicContact CD2-CB 4.47Å; L231-F238 HydrophobicContact CD2-CD2 3.45Å; L231-F238 VanDerWaalsContact CD2-CD2 3.45Å; L231-F238 HydrophobicContact CD2-CE2 3.89Å; L231-F238 HydrophobicContact CD2-CG 4.16Å; L231-F238 HydrophobicContact CG-CD2 3.94Å; L231-F238 HydrophobicContact CG-CE2 3.83Å; L231-L241 HydrophobicContact CD1-CD1 4.36Å; L231-L251 HydrophobicContact CD1-CD2 3.74Å; L231-L254 HydrophobicContact CB-CD2 3.82Å; L231-L254 HydrophobicContact CD1-CD2 3.95Å; L231-L254 HydrophobicContact CG-CD2 4.49Å; L231-L258 HydrophobicContact CB-CD1 4.46Å; L231-L258 HydrophobicContact CD2-CD1 4.29Å
232	V	96	Very high	97.7	Very high	68 Å²	68	44.8 Å²	44.8	41%	0.412	23%	0.227	S	C	.	.	H	α-helix	trans	-76.8	-19.7	177.8	-59.6	0	0	0	0	112.9	Y129 C228 L229 L254	Y129-V232 VanDerWaalsContact CE1-O 3.27Å; Y129-V232 WeakPolarHBondContact CE1-O 3.39Å; Y129-V232 WeakPolarHBondContact OH-CA 3.08Å; Y129-V232 PolarHBondContact OH-O 3.37Å; C228-V232 PolarHBondContact O-N 2.85Å; L229-V232 WeakPolarHBondContact O-CG2 3.43Å; L229-V232 PolarHBondContact O-N 2.89Å; V232-L254 HydrophobicContact CG1-CD2 4.48Å
233	Q	96.8	Very high	97.7	Very high	128 Å²	128	42.8 Å²	42.8	60%	0.598	22%	0.217	S	C	*	.	H	α-helix	trans	-85	-51.9	175.9	-75.7	-177.7	-29.5	0	0	112.3	L229 N230 L231	L229-Q233 HydrophobicContact CD1-CG 4.5Å; L229-Q233 WeakPolarHBondContact O-CG 3.37Å; L229-Q233 PolarHBondContact O-N 2.9Å; N230-Q233 PolarHBondContact O-N 2.77Å; L231-Q233 VanDerWaalsContact C-N 3.31Å
234	D	97	Very high	97.7	Very high	60 Å²	60	39 Å²	39	32%	0.321	20%	0.201	S	C	.	.			trans	-156.5	93.5	-179.7	-179.1	7.7	0	0	0	110.2	N230 T236 R237	N230-D234 CarbonylContact O-C 3.45Å; N230-D234 VanDerWaalsContact O-C 3.31Å; N230-D234 PolarHBondContact O-N 2.8Å; D234-T236 PolarHBondContact O-N 3.33Å; D234-T236 WeakPolarHBondContact OD1-CB 3.46Å; D234-T236 PolarHBondContact OD1-N 2.78Å; D234-T236 PolarHBondContact OD1-OG1 3.02Å; D234-R237 HydrophobicContact CB-CG 4.19Å; D234-R237 WeakPolarHBondContact OD2-CD 3.29Å; D234-R237 VanDerWaalsContact OD2-CG 3.27Å; D234-R237 WeakPolarHBondContact OD2-CG 3.1Å
235	P	97	Very high	97.6	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.032	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-72.7	-13.8	180	30.5	-35.3	0	0	0	113.5	Y129 V132 L134 L231 R237 F238 L258	Y129-P235 HydrophobicContact CD1-CG 3.73Å; Y129-P235 HydrophobicContact CE1-CG 4.41Å; Y129-P235 HydrophobicContact CG-CG 4.31Å; V132-P235 HydrophobicContact CG1-CB 4.26Å; V132-P235 HydrophobicContact CG1-CG 4.49Å; V132-P235 HydrophobicContact CG2-CB 4.44Å; V132-P235 HydrophobicContact CG2-CG 3.79Å; L134-P235 HydrophobicContact CD2-CB 4.33Å; L231-P235 HydrophobicContact CD2-CB 4.08Å; L231-P235 WeakPolarHBondContact O-CB 3.4Å; L231-P235 VanDerWaalsContact O-CD 3.26Å; L231-P235 WeakPolarHBondContact O-CD 3.49Å; P235-R237 PolarHBondContact O-N 3.43Å; P235-R237 VanDerWaalsContact O-N 3.14Å; P235-F238 PolarHBondContact O-N 3.04Å; P235-L258 HydrophobicContact CB-CD1 3.66Å; P235-L258 HydrophobicContact CG-CD1 4.17Å
236	T	96.6	Very high	97.6	Very high	70 Å²	70	36.3 Å²	36.3	43%	0.429	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-69.3	-11	-178.5	73.3	0	0	0	0	113.1	D234 F238	D234-T236 PolarHBondContact O-N 3.33Å; D234-T236 WeakPolarHBondContact OD1-CB 3.46Å; D234-T236 PolarHBondContact OD1-N 2.78Å; D234-T236 PolarHBondContact OD1-OG1 3.02Å; T236-F238 VanDerWaalsContact C-N 3.3Å
237	R	95.5	Very high	97.6	Very high	156 Å²	156	34.4 Å²	34.4	59%	0.589	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-76.7	-15.4	176.3	-60.3	176.5	64	-172.9	-0.6	113.5	D234 P235	D234-R237 HydrophobicContact CB-CG 4.19Å; D234-R237 WeakPolarHBondContact OD2-CD 3.29Å; D234-R237 VanDerWaalsContact OD2-CG 3.27Å; D234-R237 WeakPolarHBondContact OD2-CG 3.1Å; P235-R237 PolarHBondContact O-N 3.43Å; P235-R237 VanDerWaalsContact O-N 3.14Å
238	F	98	Very high	97.6	Very high	12 Å²	12	34.4 Å²	34.4	5%	0.053	17%	0.174	C	C	.	.			trans	-105.3	147.5	-177	-63.7	-75.2	0	0	0	111.3	L134 M222 V227 N230 L231 P235 T236 L241	L134-F238 HydrophobicContact CB-CB 4.41Å; M222-F238 HydrophobicContact CE-CE1 4.12Å; M222-F238 HydrophobicContact CE-CZ 4.39Å; M222-F238 HydrophobicContact SD-CE1 3.95Å; M222-F238 HydrophobicContact SD-CZ 3.92Å; V227-F238 HydrophobicContact CG1-CE1 4.46Å; V227-F238 HydrophobicContact CG1-CZ 4.32Å; V227-F238 HydrophobicContact CG2-CE1 4.48Å; N230-F238 HydrophobicContact CB-CE2 3.6Å; N230-F238 HydrophobicContact CB-CZ 3.58Å; L231-F238 HydrophobicContact CD2-CB 4.47Å; L231-F238 HydrophobicContact CD2-CD2 3.45Å; L231-F238 VanDerWaalsContact CD2-CD2 3.45Å; L231-F238 HydrophobicContact CD2-CE2 3.89Å; L231-F238 HydrophobicContact CD2-CG 4.16Å; L231-F238 HydrophobicContact CG-CD2 3.94Å; L231-F238 HydrophobicContact CG-CE2 3.83Å; P235-F238 PolarHBondContact O-N 3.04Å; T236-F238 VanDerWaalsContact C-N 3.3Å; F238-L241 HydrophobicContact CB-CD2 4.19Å; F238-L241 HydrophobicContact CD1-CD2 3.56Å; F238-L241 HydrophobicContact CE1-CD2 4.24Å; F238-L241 HydrophobicContact CG-CD2 4.14Å
239	D	98.4	Very high	97.4	Very high	13 Å²	13	34.8 Å²	34.8	7%	0.07	17%	0.173	C	C	.	.	S	Bend	trans	-121.1	-90.9	176.3	-166	1.4	0	0	0	109.2	L134 V135 R184 R185 S186	L134-D239 CarbonylContact C-O 3.31Å; L134-D239 WeakPolarHBondContact CA-O 3.32Å; L134-D239 WeakPolarHBondContact CB-O 3.38Å; V135-D239 PolarHBondContact N-O 2.96Å; R184-D239 WeakPolarHBondContact CA-OD2 3.38Å; R184-D239 WeakPolarHBondContact CB-OD2 3.46Å; R184-D239 VanDerWaalsContact CD-OD1 3.31Å; R184-D239 WeakPolarHBondContact CD-OD1 3.4Å; R184-D239 IonicContact CZ-OD1 2.64Å; R184-D239 IonicContact NE-OD1 3.71Å; R184-D239 IonicContact NH1-OD1 2.57Å; R184-D239 PolarHBondContact NH1-OD1 2.92Å; R185-D239 PolarHBondContact N-OD2 2.94Å; S186-D239 PolarHBondContact N-OD2 3.01Å; S186-D239 WeakPolarHBondContact OG-CB 3.37Å
240	V	98.8	Very high	97.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.9	173.5	-176.7	0	0	0	0	110.5	V135 V137 A175 Y178 A179 R184 S186 V187 T188	V135-V240 HydrophobicContact CB-CG2 4.49Å; V135-V240 CarbonylContact O-C 2.86Å; V135-V240 WeakPolarHBondContact O-CA 3.44Å; V137-V240 HydrophobicContact CG2-CG1 3.91Å; A175-V240 HydrophobicContact CB-CG1 4.46Å; Y178-V240 HydrophobicContact CD1-CG2 4.32Å; Y178-V240 HydrophobicContact CE1-CG2 4.47Å; A179-V240 HydrophobicContact CB-CG2 4.14Å; R184-V240 HydrophobicContact CB-CG2 3.78Å; R184-V240 HydrophobicContact CG-CG2 3.76Å; S186-V240 WeakPolarHBondContact O-CB 3.43Å; S186-V240 PolarHBondContact O-N 2.78Å; S186-V240 VanDerWaalsContact O-N 3.13Å; V187-V240 CarbonylContact C-O 3.55Å; V187-V240 VanDerWaalsContact CA-O 3.32Å; V187-V240 WeakPolarHBondContact CA-O 3.43Å; V187-V240 HydrophobicContact CG2-CB 3.98Å; V187-V240 HydrophobicContact CG2-CG1 4.16Å; T188-V240 PolarHBondContact N-O 2.88Å
241	L	98.9	Very high	97.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.5	173.2	-57.3	-178.3	0	0	0	109.4	L134 V135 T136 V137 T188 V190 V227 L231 F238 M243	L134-L241 HydrophobicContact CD1-CD1 4.41Å; V135-L241 PolarHBondContact O-N 2.83Å; T136-L241 HydrophobicContact CG2-CB 4.5Å; T136-L241 HydrophobicContact CG2-CD1 4.33Å; V137-L241 PolarHBondContact N-O 2.95Å; T188-L241 HydrophobicContact CG2-CD2 4.29Å; T188-L241 WeakPolarHBondContact O-CA 3.35Å; V190-L241 HydrophobicContact CG2-CB 4.31Å; V190-L241 HydrophobicContact CG2-CD2 4.46Å; V227-L241 HydrophobicContact CG1-CD1 4.17Å; L231-L241 HydrophobicContact CD1-CD1 4.36Å; F238-L241 HydrophobicContact CB-CD2 4.19Å; F238-L241 HydrophobicContact CD1-CD2 3.56Å; F238-L241 HydrophobicContact CE1-CD2 4.24Å; F238-L241 HydrophobicContact CG-CD2 4.14Å; L241-M243 HydrophobicContact CB-CE 3.3Å; L241-M243 HydrophobicContact CD1-CE 4.46Å; L241-M243 VanDerWaalsContact O-CE 3.31Å; L241-M243 WeakPolarHBondContact O-CE 3.37Å
242	V	98.9	Very high	97.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.3	175.4	66.5	0	0	0	0	111	V137 V171 A175 V187 T188 A189 V190 F203	V137-V242 HydrophobicContact CB-CG2 4.45Å; V137-V242 HydrophobicContact CG1-CG2 4.4Å; V137-V242 WeakPolarHBondContact O-CA 3.08Å; V171-V242 HydrophobicContact CG1-CG2 4.49Å; V171-V242 HydrophobicContact CG2-CG2 4.22Å; A175-V242 HydrophobicContact CB-CB 3.72Å; A175-V242 HydrophobicContact CB-CG1 4.42Å; A175-V242 HydrophobicContact CB-CG2 3.66Å; V187-V242 HydrophobicContact CG1-CB 4.29Å; V187-V242 HydrophobicContact CG1-CG1 3.63Å; T188-V242 PolarHBondContact O-N 3.33Å; A189-V242 WeakPolarHBondContact CA-O 3.42Å; A189-V242 HydrophobicContact CB-CG1 4.16Å; V190-V242 PolarHBondContact N-O 3.33Å; F203-V242 HydrophobicContact CZ-CG2 4.28Å
243	M	98.6	Very high	97.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	159.2	-170.2	66.1	-154.8	90.4	0	0	115.4	T136 V137 E139 V190 L241 G248 L251	T136-M243 HydrophobicContact CG2-CE 4.11Å; V137-M243 PolarHBondContact O-N 3.47Å; E139-M243 PolarHBondContact N-O 3.06Å; V190-M243 HydrophobicContact CB-CB 3.83Å; V190-M243 HydrophobicContact CG2-CB 4.31Å; V190-M243 HydrophobicContact CG2-CE 4.23Å; V190-M243 HydrophobicContact CG2-SD 4.37Å; L241-M243 HydrophobicContact CB-CE 3.3Å; L241-M243 HydrophobicContact CD1-CE 4.46Å; L241-M243 VanDerWaalsContact O-CE 3.31Å; L241-M243 WeakPolarHBondContact O-CE 3.37Å; M243-G248 VanDerWaalsContact CG-CA 3.45Å; M243-G248 WeakPolarHBondContact SD-CA 3.43Å; M243-G248 PolarHBondContact SD-N 3.18Å; M243-L251 HydrophobicContact CE-CD1 4.39Å; M243-L251 HydrophobicContact SD-CB 3.97Å; M243-L251 HydrophobicContact SD-CD1 3.62Å; M243-L251 HydrophobicContact SD-CG 4.33Å
244	P	98.2	Very high	97.4	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	15%	0.147	C	C	.	.			trans	-59.9	164.9	168.4	-23.5	34.3	0	0	0	113.8	I163 V190 F203 L246 Y247 G248	I163-P244 HydrophobicContact CD1-CB 4.16Å; I163-P244 HydrophobicContact CD1-CG 4.49Å; V190-P244 WeakPolarHBondContact O-CD 3.26Å; F203-P244 HydrophobicContact CD1-CG 4.04Å; F203-P244 HydrophobicContact CD2-CG 4.11Å; F203-P244 HydrophobicContact CE1-CG 4.24Å; F203-P244 HydrophobicContact CE2-CG 4.3Å; F203-P244 HydrophobicContact CG-CG 3.98Å; F203-P244 HydrophobicContact CZ-CG 4.37Å; P244-L246 PolarHBondContact O-N 3.48Å; P244-Y247 HydrophobicContact CB-CD2 4.25Å; P244-Y247 HydrophobicContact CB-CE2 4.38Å; P244-Y247 HydrophobicContact CG-CD2 3.98Å; P244-Y247 HydrophobicContact CG-CE2 3.94Å; P244-Y247 PolarHBondContact O-N 2.89Å; P244-G248 PolarHBondContact O-N 2.9Å
245	N	96.6	Very high	97.4	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-53.9	-57.3	-167.2	-155.7	-28.5	0	0	0	115.3	R138 E139 N140 E142 Y145 Y247 G248 D249	R138-N245 PolarHBondContact NE-O 3.32Å; R138-N245 PolarHBondContact NE-OD1 2.89Å; R138-N245 PolarHBondContact NH2-OD1 2.56Å; E139-N245 WeakPolarHBondContact O-CA 3.31Å; E139-N245 WeakPolarHBondContact O-CB 3.41Å; E139-N245 PolarHBondContact O-N 2.88Å; E139-N245 PolarHBondContact O-ND2 2.78Å; N140-N245 PolarHBondContact O-ND2 3.49Å; E142-N245 WeakPolarHBondContact O-CB 3.25Å; E142-N245 PolarHBondContact O-ND2 3.08Å; Y145-N245 VanDerWaalsContact CB-ND2 3.31Å; Y145-N245 WeakPolarHBondContact CB-ND2 3.3Å; Y145-N245 HydrophobicContact CD2-CB 4.09Å; Y145-N245 VanDerWaalsContact CD2-OD1 3.29Å; Y145-N245 WeakPolarHBondContact CD2-OD1 3.24Å; N245-Y247 VanDerWaalsContact C-N 3.3Å; N245-Y247 PolarHBondContact O-N 3.3Å; N245-G248 PolarHBondContact O-N 3.43Å; N245-D249 PolarHBondContact O-N 2.99Å
246	L	96.7	Very high	97.3	Very high	54 Å²	54	26.4 Å²	26.4	28%	0.283	13%	0.13	S	C	.	.	H	α-helix	trans	-64	-34.8	-178.9	-179.9	60.9	0	0	0	112.8	E144 Y145 P244 G248 D249 I250	E144-L246 HydrophobicContact CB-CB 4.47Å; E144-L246 HydrophobicContact CB-CD2 4.34Å; E144-L246 HydrophobicContact CG-CB 4.43Å; E144-L246 HydrophobicContact CG-CD2 3.85Å; E144-L246 WeakPolarHBondContact OE2-CB 3.18Å; Y145-L246 HydrophobicContact CE2-CB 4.49Å; Y145-L246 HydrophobicContact CE2-CD1 4.17Å; P244-L246 PolarHBondContact O-N 3.48Å; L246-G248 VanDerWaalsContact C-N 3.34Å; L246-D249 WeakPolarHBondContact O-CB 3.43Å; L246-D249 PolarHBondContact O-N 2.8Å; L246-I250 HydrophobicContact CD1-CD1 4.14Å; L246-I250 HydrophobicContact CD1-CG1 4.47Å; L246-I250 HydrophobicContact CG-CD1 4.06Å; L246-I250 WeakPolarHBondContact O-CG1 3.38Å; L246-I250 PolarHBondContact O-N 3.39Å; L246-I250 VanDerWaalsContact O-N 3.16Å
247	Y	98.1	Very high	97.2	Very high	8 Å²	8	25.4 Å²	25.4	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-70	-39.9	180	-55.1	-9.5	0	0	0	110.6	K161 M196 D200 L224 P244 N245 D249 I250 L251	K161-Y247 PolarHBondContact NZ-OH 3.42Å; M196-Y247 WeakPolarHBondContact CE-OH 3.29Å; D200-Y247 PolarHBondContact OD1-OH 3.43Å; D200-Y247 VanDerWaalsContact OD2-CE2 3.27Å; D200-Y247 WeakPolarHBondContact OD2-CE2 3.31Å; D200-Y247 PolarHBondContact OD2-OH 3.02Å; L224-Y247 HydrophobicContact CD1-CG 4.21Å; L224-Y247 HydrophobicContact CD2-CD1 3.61Å; L224-Y247 HydrophobicContact CD2-CE1 3.91Å; L224-Y247 HydrophobicContact CD2-CG 4Å; P244-Y247 HydrophobicContact CB-CD2 4.25Å; P244-Y247 HydrophobicContact CB-CE2 4.38Å; P244-Y247 HydrophobicContact CG-CD2 3.98Å; P244-Y247 HydrophobicContact CG-CE2 3.94Å; P244-Y247 PolarHBondContact O-N 2.89Å; N245-Y247 VanDerWaalsContact C-N 3.3Å; N245-Y247 PolarHBondContact O-N 3.3Å; Y247-D249 VanDerWaalsContact C-N 3.3Å; Y247-D249 PolarHBondContact O-N 2.78Å; Y247-I250 PolarHBondContact O-N 2.97Å; Y247-L251 VanDerWaalsContact O-CB 3.32Å; Y247-L251 WeakPolarHBondContact O-CB 3.35Å; Y247-L251 PolarHBondContact O-N 2.69Å
248	G	97.5	Very high	97.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.8	-42.7	174.7	0	0	0	0	0	111.6	M243 P244 N245 L246 S252	M243-G248 VanDerWaalsContact CG-CA 3.45Å; M243-G248 WeakPolarHBondContact SD-CA 3.43Å; M243-G248 PolarHBondContact SD-N 3.18Å; P244-G248 PolarHBondContact O-N 2.9Å; N245-G248 PolarHBondContact O-N 3.43Å; L246-G248 VanDerWaalsContact C-N 3.34Å; G248-S252 WeakPolarHBondContact O-CB 3.24Å; G248-S252 PolarHBondContact O-N 2.7Å; G248-S252 PolarHBondContact O-OG 3.49Å
249	D	95.1	Very high	97	Very high	42 Å²	42	17.9 Å²	17.9	23%	0.225	11%	0.105	C	C	.	.	H	α-helix	trans	-54.4	-56.5	174.2	-158	48	0	0	0	111.8	R138 Y145 N245 L246 Y247 S252 D253	R138-D249 IonicContact CZ-OD1 2.77Å; R138-D249 IonicContact NH1-OD1 3.93Å; R138-D249 PolarHBondContact NH1-OD1 3.02Å; R138-D249 IonicContact NH2-OD1 3.8Å; R138-D249 PolarHBondContact NH2-OD1 3.13Å; Y145-D249 HydrophobicContact CE2-CB 4.27Å; Y145-D249 PolarHBondContact OH-OD1 2.86Å; Y145-D249 PolarHBondContact OH-OD2 2.88Å; N245-D249 PolarHBondContact O-N 2.99Å; L246-D249 WeakPolarHBondContact O-CB 3.43Å; L246-D249 PolarHBondContact O-N 2.8Å; Y247-D249 VanDerWaalsContact C-N 3.3Å; Y247-D249 PolarHBondContact O-N 2.78Å; D249-S252 PolarHBondContact O-OG 3.12Å; D249-S252 VanDerWaalsContact O-OG 3.12Å; D249-D253 PolarHBondContact O-N 2.72Å
250	I	97.2	Very high	96.7	Very high	80 Å²	80	18.8 Å²	18.8	41%	0.41	12%	0.118	S	C	.	.	H	α-helix	trans	-63.9	-50.2	-176.8	-64.7	165.6	0	0	0	111.5	L246 Y247 D253 L254	L246-I250 HydrophobicContact CD1-CD1 4.14Å; L246-I250 HydrophobicContact CD1-CG1 4.47Å; L246-I250 HydrophobicContact CG-CD1 4.06Å; L246-I250 WeakPolarHBondContact O-CG1 3.38Å; L246-I250 PolarHBondContact O-N 3.39Å; L246-I250 VanDerWaalsContact O-N 3.16Å; Y247-I250 PolarHBondContact O-N 2.97Å; I250-D253 PolarHBondContact O-N 3.45Å; I250-L254 WeakPolarHBondContact O-CB 3.26Å; I250-L254 PolarHBondContact O-N 3.44Å
251	L	98	Very high	96.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-72.5	-32.1	-174.6	-76.6	179.7	0	0	0	112.9	V190 L224 V227 C228 L231 M243 Y247 D253 L254 A255	V190-L251 HydrophobicContact CB-CD1 4.36Å; V190-L251 HydrophobicContact CG1-CD1 3.83Å; V190-L251 HydrophobicContact CG2-CD1 4.1Å; L224-L251 HydrophobicContact CD1-CD1 3.71Å; L224-L251 HydrophobicContact CD1-CD2 4.37Å; L224-L251 HydrophobicContact CD1-CG 3.88Å; V227-L251 HydrophobicContact CB-CD1 4.4Å; V227-L251 HydrophobicContact CG1-CD1 3.75Å; V227-L251 HydrophobicContact CG1-CD2 4.02Å; C228-L251 VanDerWaalsContact SG-CD2 3.52Å; L231-L251 HydrophobicContact CD1-CD2 3.74Å; M243-L251 HydrophobicContact CE-CD1 4.39Å; M243-L251 HydrophobicContact SD-CB 3.97Å; M243-L251 HydrophobicContact SD-CD1 3.62Å; M243-L251 HydrophobicContact SD-CG 4.33Å; Y247-L251 VanDerWaalsContact O-CB 3.32Å; Y247-L251 WeakPolarHBondContact O-CB 3.35Å; Y247-L251 PolarHBondContact O-N 2.69Å; L251-D253 VanDerWaalsContact C-N 3.33Å; L251-L254 HydrophobicContact CD2-CD1 4.28Å; L251-L254 PolarHBondContact O-N 3.41Å; L251-A255 VanDerWaalsContact O-CB 3.26Å; L251-A255 WeakPolarHBondContact O-CB 3.28Å; L251-A255 PolarHBondContact O-N 3.31Å
252	S	96.7	Very high	95.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-69.9	-31.7	177.9	73.6	0	0	0	0	112.1	R117 T136 G248 D249 A256	R117-S252 PolarHBondContact NE-OG 2.69Å; R117-S252 PolarHBondContact NH1-O 2.96Å; R117-S252 PolarHBondContact NH1-OG 3.07Å; R117-S252 VanDerWaalsContact NH1-OG 3.07Å; T136-S252 WeakPolarHBondContact OG1-CB 3.5Å; G248-S252 WeakPolarHBondContact O-CB 3.24Å; G248-S252 PolarHBondContact O-N 2.7Å; G248-S252 PolarHBondContact O-OG 3.49Å; D249-S252 PolarHBondContact O-OG 3.12Å; D249-S252 VanDerWaalsContact O-OG 3.12Å; S252-A256 PolarHBondContact O-N 3.46Å; S252-A256 VanDerWaalsContact O-N 3.15Å
253	D	96	Very high	95.6	Very high	73 Å²	73	23.3 Å²	23.3	39%	0.39	15%	0.15	S	C	.	.	H	α-helix	trans	-76.1	-39.7	172	-80.7	16.9	0	0	0	111.8	R117 D249 I250 L251 A255 A256 G257	R117-D253 IonicContact CZ-OD1 3.78Å; R117-D253 IonicContact NH1-OD1 3.27Å; R117-D253 PolarHBondContact NH1-OD1 3.15Å; R117-D253 IonicContact NH2-OD1 2.62Å; D249-D253 PolarHBondContact O-N 2.72Å; I250-D253 PolarHBondContact O-N 3.45Å; L251-D253 VanDerWaalsContact C-N 3.33Å; D253-A255 VanDerWaalsContact C-N 3.33Å; D253-A255 PolarHBondContact O-N 3.38Å; D253-A256 WeakPolarHBondContact O-CB 3.37Å; D253-A256 PolarHBondContact O-N 3.14Å; D253-G257 PolarHBondContact O-N 3.12Å; D253-G257 VanDerWaalsContact O-N 3.15Å
254	L	97.2	Very high	95.4	Very high	45 Å²	45	23.5 Å²	23.5	24%	0.236	15%	0.151	C	C	.	.	H	α-helix	trans	-56.5	-49.9	171.5	-173.6	163.1	0	0	0	110.3	C228 L231 V232 I250 L251 A256 G257 L258	C228-L254 HydrophobicContact CB-CD1 4.19Å; L231-L254 HydrophobicContact CB-CD2 3.82Å; L231-L254 HydrophobicContact CD1-CD2 3.95Å; L231-L254 HydrophobicContact CG-CD2 4.49Å; V232-L254 HydrophobicContact CG1-CD2 4.48Å; I250-L254 WeakPolarHBondContact O-CB 3.26Å; I250-L254 PolarHBondContact O-N 3.44Å; L251-L254 HydrophobicContact CD2-CD1 4.28Å; L251-L254 PolarHBondContact O-N 3.41Å; L254-A256 VanDerWaalsContact C-N 3.33Å; L254-A256 PolarHBondContact O-N 3.22Å; L254-G257 WeakPolarHBondContact O-CA 3.49Å; L254-G257 PolarHBondContact O-N 3.39Å; L254-L258 HydrophobicContact CD2-CD1 4.14Å; L254-L258 HydrophobicContact CD2-CD2 4.23Å; L254-L258 HydrophobicContact CD2-CG 4.24Å; L254-L258 PolarHBondContact O-N 3.07Å
255	A	97.2	Very high	95.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.1	-36.5	-179.5	0	0	0	0	0	112.9	C119 L134 L251 D253 G257 L258	C119-A255 HydrophobicContact CB-CB 3.94Å; C119-A255 WeakPolarHBondContact SG-CB 3.44Å; L134-A255 HydrophobicContact CD1-CB 3.9Å; L251-A255 VanDerWaalsContact O-CB 3.26Å; L251-A255 WeakPolarHBondContact O-CB 3.28Å; L251-A255 PolarHBondContact O-N 3.31Å; D253-A255 VanDerWaalsContact C-N 3.33Å; D253-A255 PolarHBondContact O-N 3.38Å; A255-G257 VanDerWaalsContact C-N 3.29Å; A255-G257 PolarHBondContact O-N 3.42Å; A255-L258 WeakPolarHBondContact O-CB 3.49Å; A255-L258 PolarHBondContact O-N 3.15Å; A255-L258 VanDerWaalsContact O-N 3.12Å
256	A	95.6	Very high	95.3	Very high	0 Å²	0	24 Å²	24	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58.1	-43	171.9	0	0	0	0	0	111.3	S252 D253 L254 L258 I259 G260 G261 L262 T265	S252-A256 PolarHBondContact O-N 3.46Å; S252-A256 VanDerWaalsContact O-N 3.15Å; D253-A256 WeakPolarHBondContact O-CB 3.37Å; D253-A256 PolarHBondContact O-N 3.14Å; L254-A256 VanDerWaalsContact C-N 3.33Å; L254-A256 PolarHBondContact O-N 3.22Å; A256-L258 PolarHBondContact O-N 2.96Å; A256-I259 VanDerWaalsContact O-CG1 3.28Å; A256-I259 WeakPolarHBondContact O-CG1 3.36Å; A256-I259 PolarHBondContact O-N 2.84Å; A256-I259 VanDerWaalsContact O-N 3.14Å; A256-G260 PolarHBondContact O-N 2.81Å; A256-G261 VanDerWaalsContact O-CA 3.24Å; A256-G261 WeakPolarHBondContact O-CA 3.11Å; A256-G261 PolarHBondContact O-N 2.7Å; A256-L262 HydrophobicContact CB-CD2 3.69Å; A256-T265 HydrophobicContact CB-CG2 4.02Å; A256-T265 VanDerWaalsContact CB-OG1 3.29Å; A256-T265 WeakPolarHBondContact CB-OG1 3.42Å
257	G	95.1	Very high	95.3	Very high	49 Å²	49	21.4 Å²	21.4	51%	0.505	14%	0.141	S	C	.	.	H	α-helix	trans	-58.4	-28.8	176	0	0	0	0	0	114.3	D253 L254 A255 I259	D253-G257 PolarHBondContact O-N 3.12Å; D253-G257 VanDerWaalsContact O-N 3.15Å; L254-G257 WeakPolarHBondContact O-CA 3.49Å; L254-G257 PolarHBondContact O-N 3.39Å; A255-G257 VanDerWaalsContact C-N 3.29Å; A255-G257 PolarHBondContact O-N 3.42Å; G257-I259 VanDerWaalsContact C-N 3.31Å; G257-I259 PolarHBondContact O-N 3.07Å
258	L	95.4	Very high	95.3	Very high	6 Å²	6	21 Å²	21	3%	0.031	14%	0.14	C	C	.	.	H	α-helix	trans	-71	-27.8	179.1	-51.5	176.9	0	0	0	112.5	T127 Y129 V132 L231 P235 L254 A255 A256	T127-L258 PolarHBondContact OG1-O 3.13Å; Y129-L258 HydrophobicContact CD1-CD2 4.42Å; Y129-L258 HydrophobicContact CD2-CB 4.13Å; Y129-L258 HydrophobicContact CD2-CD2 3.71Å; Y129-L258 HydrophobicContact CE1-CD2 4.2Å; Y129-L258 HydrophobicContact CE2-CD2 3.45Å; Y129-L258 VanDerWaalsContact CE2-CD2 3.45Å; Y129-L258 HydrophobicContact CG-CB 4.37Å; Y129-L258 HydrophobicContact CG-CD2 4.19Å; V132-L258 HydrophobicContact CG1-CB 4.45Å; V132-L258 HydrophobicContact CG2-CB 4.24Å; L231-L258 HydrophobicContact CB-CD1 4.46Å; L231-L258 HydrophobicContact CD2-CD1 4.29Å; P235-L258 HydrophobicContact CB-CD1 3.66Å; P235-L258 HydrophobicContact CG-CD1 4.17Å; L254-L258 HydrophobicContact CD2-CD1 4.14Å; L254-L258 HydrophobicContact CD2-CD2 4.23Å; L254-L258 HydrophobicContact CD2-CG 4.24Å; L254-L258 PolarHBondContact O-N 3.07Å; A255-L258 WeakPolarHBondContact O-CB 3.49Å; A255-L258 PolarHBondContact O-N 3.15Å; A255-L258 VanDerWaalsContact O-N 3.12Å; A256-L258 PolarHBondContact O-N 2.96Å
259	I	94.1	Very high	95.3	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.015	14%	0.14	C	C	.	.	H	α-helix	trans	-107.1	3.4	-173	65.2	154.7	0	0	0	114.5	C119 V132 A256 G257 V264	C119-I259 HydrophobicContact CB-CD1 4.31Å; C119-I259 HydrophobicContact CB-CG2 4.3Å; V132-I259 HydrophobicContact CB-CG2 3.78Å; V132-I259 HydrophobicContact CG1-CG2 3.8Å; V132-I259 HydrophobicContact CG2-CG2 4.26Å; A256-I259 VanDerWaalsContact O-CG1 3.28Å; A256-I259 WeakPolarHBondContact O-CG1 3.36Å; A256-I259 PolarHBondContact O-N 2.84Å; A256-I259 VanDerWaalsContact O-N 3.14Å; G257-I259 VanDerWaalsContact C-N 3.31Å; G257-I259 PolarHBondContact O-N 3.07Å; I259-V264 HydrophobicContact CD1-CG2 4.25Å; I259-V264 HydrophobicContact CG1-CG2 4.42Å
260	G	90.6	Very high	95.4	Very high	33 Å²	33	19.9 Å²	19.9	34%	0.34	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	127.8	-9.2	-179	0	0	0	0	0	115.9	A256	A256-G260 PolarHBondContact O-N 2.81Å
261	G	91.9	Very high	95.3	Very high	17 Å²	17	16.4 Å²	16.4	18%	0.175	12%	0.117	C	C	.	.			trans	100.9	-171.8	-179.3	0	0	0	0	0	113.7	A256 G263 V264 T265	A256-G261 VanDerWaalsContact O-CA 3.24Å; A256-G261 WeakPolarHBondContact O-CA 3.11Å; A256-G261 PolarHBondContact O-N 2.7Å; G261-G263 VanDerWaalsContact C-N 3.26Å; G261-G263 PolarHBondContact O-N 3.34Å; G261-V264 WeakPolarHBondContact O-CG2 3.01Å; G261-V264 PolarHBondContact O-N 3.5Å; G261-T265 PolarHBondContact O-OG1 2.58Å
262	L	90.2	Very high	95	Very high	59 Å²	59	23.2 Å²	23.2	31%	0.309	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-68.2	-23.4	-168.9	-61	174.4	0	0	0	113.4	A256 V264 T265 V280 H281 A297	A256-L262 HydrophobicContact CB-CD2 3.69Å; L262-V264 PolarHBondContact O-N 3.07Å; L262-T265 PolarHBondContact O-N 3.1Å; L262-V280 HydrophobicContact CB-CG2 3.97Å; L262-V280 HydrophobicContact CD2-CB 4.42Å; L262-V280 HydrophobicContact CD2-CG2 3.7Å; L262-V280 HydrophobicContact CG-CG2 4.43Å; L262-V280 WeakPolarHBondContact O-CG2 3.34Å; L262-H281 HydrophobicContact CB-CB 3.84Å; L262-A297 WeakPolarHBondContact O-CB 3.13Å
263	G	92	Very high	94.6	Very high	18 Å²	18	29 Å²	29	19%	0.186	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-67.9	-16.4	-178.5	0	0	0	0	0	115	G261 A297	G261-G263 VanDerWaalsContact C-N 3.26Å; G261-G263 PolarHBondContact O-N 3.34Å; G263-A297 VanDerWaalsContact O-CB 3.28Å; G263-A297 WeakPolarHBondContact O-CB 3.42Å; G263-A297 PolarHBondContact O-N 3.35Å
264	V	93.5	Very high	94.4	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.024	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-120.2	4.5	179.4	-61.9	0	0	0	0	113.6	I122 I259 G261 L262 T296 F300 L336	I122-V264 HydrophobicContact CD1-CB 3.79Å; I122-V264 HydrophobicContact CD1-CG1 4.14Å; I122-V264 HydrophobicContact CD1-CG2 4.18Å; I259-V264 HydrophobicContact CD1-CG2 4.25Å; I259-V264 HydrophobicContact CG1-CG2 4.42Å; G261-V264 WeakPolarHBondContact O-CG2 3.01Å; G261-V264 PolarHBondContact O-N 3.5Å; L262-V264 PolarHBondContact O-N 3.07Å; V264-T296 HydrophobicContact CB-CG2 4.28Å; V264-T296 HydrophobicContact CG1-CG2 4.03Å; V264-F300 WeakPolarHBondContact O-CD2 3.29Å; V264-L336 HydrophobicContact CG1-CD2 3.61Å
265	T	95.4	Very high	94.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	16%	0.158	C	C	.	.			trans	-99.9	120.5	-173.5	-58.6	0	0	0	0	110.6	R117 A256 G261 L262 V280 A297	R117-T265 HydrophobicContact CG-CG2 3.64Å; A256-T265 HydrophobicContact CB-CG2 4.02Å; A256-T265 VanDerWaalsContact CB-OG1 3.29Å; A256-T265 WeakPolarHBondContact CB-OG1 3.42Å; G261-T265 PolarHBondContact O-OG1 2.58Å; L262-T265 PolarHBondContact O-N 3.1Å; T265-V280 HydrophobicContact CG2-CG2 4.21Å; T265-V280 WeakPolarHBondContact O-CG2 3.31Å; T265-A297 WeakPolarHBondContact O-CB 3.16Å
266	P	97	Very high	94.4	Very high	13 Å²	13	23.9 Å²	23.9	8%	0.084	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	157.7	178.3	33.9	-34.9	0	0	0	113.3	R117 F300 S301 M304	R117-P266 WeakPolarHBondContact CG-O 2.96Å; P266-F300 HydrophobicContact CB-CB 3.56Å; P266-F300 HydrophobicContact CG-CB 3.89Å; P266-S301 VanDerWaalsContact CA-OG 3.23Å; P266-S301 WeakPolarHBondContact CA-OG 3.38Å; P266-S301 WeakPolarHBondContact CB-OG 3.5Å; P266-M304 HydrophobicContact CB-CG 4.48Å; P266-M304 HydrophobicContact CB-SD 3.61Å; P266-M304 HydrophobicContact CG-SD 3.84Å
267	S	97.7	Very high	94.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	146	172.9	-169.4	0	0	0	0	113.6	N115 V116 F277 E278 S301	N115-S267 PolarHBondContact ND2-OG 2.86Å; N115-S267 PolarHBondContact OD1-OG 2.87Å; V116-S267 WeakPolarHBondContact O-CA 3.47Å; S267-F277 WeakPolarHBondContact O-CA 3.3Å; S267-E278 PolarHBondContact N-O 3.05Å; S267-E278 PolarHBondContact O-N 3.27Å; S267-S301 PolarHBondContact N-OG 3.1Å
268	G	97.7	Very high	94.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126.7	171.8	0	0	0	0	0	111.6	N115 V116	N115-G268 CarbonylContact C-O 3.53Å; N115-G268 WeakPolarHBondContact CA-O 3.26Å; V116-G268 PolarHBondContact N-O 3.42Å; V116-G268 PolarHBondContact O-N 3.41Å
269	N	97.7	Very high	94.3	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.011	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	115.6	169.3	-56.5	-89.9	0	0	0	108.1	R107 L112 N115 N140 A275 I276 E278	R107-N269 PolarHBondContact NE-OD1 2.99Å; R107-N269 VanDerWaalsContact NE-OD1 3.13Å; L112-N269 HydrophobicContact CB-CB 3.79Å; L112-N269 HydrophobicContact CD1-CB 3.83Å; L112-N269 HydrophobicContact CG-CB 4.39Å; N115-N269 PolarHBondContact ND2-OD1 3.01Å; N140-N269 PolarHBondContact ND2-OD1 2.92Å; N269-A275 CarbonylContact O-C 3.3Å; N269-A275 VanDerWaalsContact O-CA 3.24Å; N269-A275 WeakPolarHBondContact O-CA 3.36Å; N269-I276 PolarHBondContact N-O 2.81Å; N269-I276 PolarHBondContact ND2-O 3.42Å; N269-I276 PolarHBondContact O-N 2.82Å; N269-E278 VanDerWaalsContact ND2-CD 3.27Å; N269-E278 PolarHBondContact ND2-OE1 3.23Å
270	I	97.6	Very high	94	Very high	16 Å²	16	23.5 Å²	23.5	8%	0.082	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.7	-171.7	-44.8	-58.2	0	0	0	109.3	L112 Y113 A114 V116 F174 A275 F277 Y308	L112-I270 CarbonylContact C-O 3.5Å; L112-I270 VanDerWaalsContact C-O 3.3Å; Y113-I270 PolarHBondContact N-O 3.49Å; A114-I270 PolarHBondContact N-O 2.94Å; A114-I270 PolarHBondContact O-N 3.4Å; V116-I270 HydrophobicContact CG2-CG1 4.13Å; F174-I270 HydrophobicContact CE2-CB 4.08Å; F174-I270 HydrophobicContact CE2-CG1 4.37Å; F174-I270 HydrophobicContact CE2-CG2 3.84Å; F174-I270 HydrophobicContact CZ-CB 4.25Å; F174-I270 HydrophobicContact CZ-CG1 4.09Å; F174-I270 HydrophobicContact CZ-CG2 4.4Å; I270-A275 HydrophobicContact CD1-CB 3.69Å; I270-F277 HydrophobicContact CD1-CE1 4.1Å; I270-F277 HydrophobicContact CD1-CZ 3.91Å; I270-Y308 HydrophobicContact CD1-CD2 4.41Å; I270-Y308 HydrophobicContact CD1-CE2 4.47Å; I270-Y308 HydrophobicContact CG2-CE2 4.09Å
271	G	95.4	Very high	93.8	Very high	6 Å²	6	23.2 Å²	23.2	6%	0.062	14%	0.136	C	C	.	.			trans	-120.9	-174.8	169.5	0	0	0	0	0	111.2	N111 G274	N111-G271 WeakPolarHBondContact O-CA 3.14Å; G271-G274 CarbonylContact C-O 3.6Å; G271-G274 WeakPolarHBondContact CA-O 3.41Å; G271-G274 PolarHBondContact N-O 3.05Å
272	E	90.9	Very high	93.6	Very high	144 Å²	144	24.8 Å²	24.8	67%	0.673	15%	0.152	S	C	*	.	S	Bend	trans	-72.2	-35.6	-179.3	-62.5	-175.6	169.9	0	0	112.9	Y113	Y113-E272 HydrophobicContact CE1-CG 3.91Å
273	T	88.6	Confident	93.7	Very high	120 Å²	120	23.3 Å²	23.3	74%	0.736	15%	0.145	S	C	*	.	S	Bend	trans	-107.5	-5.7	-173.2	55.9	0	0	0	0	113.4
274	G	92.7	Very high	93.7	Very high	7 Å²	7	23.8 Å²	23.8	7%	0.072	15%	0.148	C	C	.	.			trans	-174.3	176.9	-175	0	0	0	0	0	114.9	G84 L112 G271	G84-G274 CarbonylContact O-C 3.58Å; G84-G274 WeakPolarHBondContact O-CA 3.4Å; L112-G274 WeakPolarHBondContact CD2-O 3.47Å; G271-G274 CarbonylContact C-O 3.6Å; G271-G274 WeakPolarHBondContact CA-O 3.41Å; G271-G274 PolarHBondContact N-O 3.05Å
275	A	96.9	Very high	93.6	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	142.1	-179.2	0	0	0	0	0	111.8	G84 I85 G86 N269 I270 F277 Y308	G84-A275 PolarHBondContact O-N 2.75Å; I85-A275 CarbonylContact C-O 3.28Å; I85-A275 WeakPolarHBondContact CA-O 3.46Å; G86-A275 PolarHBondContact N-O 3.32Å; N269-A275 CarbonylContact O-C 3.3Å; N269-A275 VanDerWaalsContact O-CA 3.24Å; N269-A275 WeakPolarHBondContact O-CA 3.36Å; I270-A275 HydrophobicContact CD1-CB 3.69Å; A275-F277 HydrophobicContact CB-CD2 4.46Å; A275-F277 HydrophobicContact CB-CE2 3.63Å; A275-F277 HydrophobicContact CB-CZ 3.99Å; A275-Y308 HydrophobicContact CB-CD1 4.31Å; A275-Y308 HydrophobicContact CB-CD2 4.5Å; A275-Y308 HydrophobicContact CB-CE1 3.93Å; A275-Y308 HydrophobicContact CB-CE2 4.13Å
276	I	97.4	Very high	93.6	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	118.3	171.1	-60.8	179.2	0	0	0	109	I80 G86 K88 L106 F110 L112 N269	I80-I276 HydrophobicContact CG2-CD1 4.2Å; G86-I276 WeakPolarHBondContact O-CA 3.43Å; K88-I276 HydrophobicContact CB-CG2 3.92Å; K88-I276 HydrophobicContact CD-CG2 4.47Å; L106-I276 HydrophobicContact CB-CD1 4.35Å; F110-I276 HydrophobicContact CD2-CD1 3.95Å; F110-I276 HydrophobicContact CE2-CD1 4.46Å; L112-I276 HydrophobicContact CD1-CB 3.79Å; L112-I276 HydrophobicContact CD1-CD1 3.68Å; L112-I276 HydrophobicContact CD1-CG1 3.66Å; N269-I276 PolarHBondContact N-O 2.81Å; N269-I276 PolarHBondContact ND2-O 3.42Å; N269-I276 PolarHBondContact O-N 2.82Å
277	F	98.2	Very high	93.5	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	137.4	176.8	-60.7	-90.5	0	0	0	109.8	G86 L87 K88 S267 I270 A275 S301 M304 M305 Y308	G86-F277 PolarHBondContact O-N 2.83Å; L87-F277 CarbonylContact C-O 3.59Å; L87-F277 WeakPolarHBondContact CA-O 3.24Å; L87-F277 HydrophobicContact CD1-CB 4.01Å; K88-F277 PolarHBondContact N-O 3.46Å; S267-F277 WeakPolarHBondContact O-CA 3.3Å; I270-F277 HydrophobicContact CD1-CE1 4.1Å; I270-F277 HydrophobicContact CD1-CZ 3.91Å; A275-F277 HydrophobicContact CB-CD2 4.46Å; A275-F277 HydrophobicContact CB-CE2 3.63Å; A275-F277 HydrophobicContact CB-CZ 3.99Å; F277-S301 WeakPolarHBondContact CB-O 3.36Å; F277-S301 WeakPolarHBondContact CD1-O 3.33Å; F277-M304 HydrophobicContact CD1-CB 3.7Å; F277-M304 HydrophobicContact CE1-CB 3.7Å; F277-M305 HydrophobicContact CB-CB 4.27Å; F277-M305 HydrophobicContact CD1-CB 4.23Å; F277-M305 HydrophobicContact CD2-CB 3.35Å; F277-M305 HydrophobicContact CD2-CG 3.51Å; F277-M305 HydrophobicContact CD2-SD 4.37Å; F277-M305 HydrophobicContact CE1-CB 4.49Å; F277-M305 HydrophobicContact CE2-CB 3.67Å; F277-M305 HydrophobicContact CE2-CG 3.71Å; F277-M305 HydrophobicContact CG-CB 3.68Å; F277-M305 HydrophobicContact CG-CG 4.31Å; F277-M305 HydrophobicContact CZ-CB 4.24Å; F277-Y308 HydrophobicContact CE2-CD1 4.41Å; F277-Y308 HydrophobicContact CE2-CG 4.3Å; F277-Y308 HydrophobicContact CZ-CD1 4.43Å; F277-Y308 HydrophobicContact CZ-CD2 4.28Å; F277-Y308 AromaticContact CZ-CG 3.88Å; F277-Y308 HydrophobicContact CZ-CG 3.88Å
278	E	95.8	Very high	93.4	Very high	12 Å²	12	36.3 Å²	36.3	6%	0.056	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	149.2	-170.3	68.1	-179.5	158.6	0	0	114	K88 R107 S267 N269 S301	K88-E278 HydrophobicContact CB-CB 4.31Å; K88-E278 HydrophobicContact CG-CB 4.48Å; K88-E278 IonicContact NZ-OE2 3.88Å; K88-E278 PolarHBondContact NZ-OE2 3.14Å; K88-E278 VanDerWaalsContact O-CA 3.29Å; K88-E278 WeakPolarHBondContact O-CA 3.34Å; R107-E278 IonicContact CZ-OE1 3.95Å; R107-E278 IonicContact NE-OE1 3.05Å; R107-E278 IonicContact NH2-OE1 3.45Å; R107-E278 PolarHBondContact NH2-OE1 3.45Å; S267-E278 PolarHBondContact N-O 3.05Å; S267-E278 PolarHBondContact O-N 3.27Å; N269-E278 VanDerWaalsContact ND2-CD 3.27Å; N269-E278 PolarHBondContact ND2-OE1 3.23Å; E278-S301 PolarHBondContact O-OG 3.17Å
279	S	88.6	Confident	93.3	Very high	6 Å²	6	39.8 Å²	39.8	4%	0.042	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	138.9	162.9	56	0	0	0	0	110.4	K88 P90 H281	K88-S279 PolarHBondContact O-N 2.97Å; P90-S279 VanDerWaalsContact CD-OG 3.32Å; P90-S279 WeakPolarHBondContact CD-OG 3.22Å; S279-H281 WeakPolarHBondContact CB-NE2 3.38Å
280	V	87.4	Confident	93.2	Very high	27 Å²	27	44.4 Å²	44.4	16%	0.164	28%	0.281	C	S	.	.			trans	-89.3	-18.1	179.4	-56.8	0	0	0	0	113.6	R117 L262 T265	R117-V280 HydrophobicContact CG-CG1 4.44Å; L262-V280 HydrophobicContact CB-CG2 3.97Å; L262-V280 HydrophobicContact CD2-CB 4.42Å; L262-V280 HydrophobicContact CD2-CG2 3.7Å; L262-V280 HydrophobicContact CG-CG2 4.43Å; L262-V280 WeakPolarHBondContact O-CG2 3.34Å; T265-V280 HydrophobicContact CG2-CG2 4.21Å; T265-V280 WeakPolarHBondContact O-CG2 3.31Å
281	H	87.3	Confident	93.2	Very high	27 Å²	27	46.2 Å²	46.2	13%	0.125	29%	0.291	C	S	.	.	S	Bend	trans	-75.5	164.9	177.6	62.3	68.5	0	0	0	112	P90 L262 S279	P90-H281 WeakPolarHBondContact CB-O 3.41Å; L262-H281 HydrophobicContact CB-CB 3.84Å; S279-H281 WeakPolarHBondContact CB-NE2 3.38Å
282	G	88.5	Confident	93.3	Very high	51 Å²	51	52 Å²	52	53%	0.526	31%	0.311	S	S	.	.			trans	-75.9	-171	175.9	0	0	0	0	0	114.1	P90	P90-G282 WeakPolarHBondContact CB-O 3.47Å
283	T	91.6	Very high	93.6	Very high	27 Å²	27	45.1 Å²	45.1	17%	0.166	28%	0.279	C	S	.	.			trans	-82.3	-10.6	-173.7	55.6	0	0	0	0	114.9	D32 G33 I34 P90 A92	D32-T283 HydrophobicContact CB-CG2 3.84Å; G33-T283 CarbonylContact C-O 3.58Å; G33-T283 WeakPolarHBondContact CA-O 3.47Å; I34-T283 PolarHBondContact N-O 3.21Å; P90-T283 HydrophobicContact CB-CG2 3.98Å; P90-T283 HydrophobicContact CG-CG2 4.32Å; A92-T283 HydrophobicContact CB-CG2 4.18Å
284	A	92.6	Very high	93.9	Very high	29 Å²	29	39.8 Å²	39.8	24%	0.24	25%	0.246	C	C	.	.			trans	40.2	59.3	178.4	0	0	0	0	0	114.1	I34 D286 I287 A288	I34-A284 HydrophobicContact CD1-CB 4.03Å; I34-A284 HydrophobicContact CG1-CB 4.21Å; I34-A284 HydrophobicContact CG2-CB 3.95Å; A284-D286 PolarHBondContact O-N 3.25Å; A284-D286 VanDerWaalsContact O-N 3.11Å; A284-I287 HydrophobicContact CB-CD1 4.15Å; A284-I287 HydrophobicContact CB-CG1 3.83Å; A284-I287 WeakPolarHBondContact O-CG1 3.41Å; A284-I287 PolarHBondContact O-N 3.48Å; A284-A288 PolarHBondContact O-N 3.48Å
285	P	91.8	Very high	94.1	Very high	98 Å²	98	39.5 Å²	39.5	64%	0.636	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-19.7	-172.7	27.8	-35.9	0	0	0	113.6	I287	P285-I287 VanDerWaalsContact C-N 3.31Å; P285-I287 PolarHBondContact O-N 2.83Å
286	D	94.1	Very high	94.1	Very high	114 Å²	114	39.4 Å²	39.4	61%	0.61	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-23.9	178	60.3	-55.3	0	0	0	113.9	A284 Q290	A284-D286 PolarHBondContact O-N 3.25Å; A284-D286 VanDerWaalsContact O-N 3.11Å; D286-Q290 PolarHBondContact O-NE2 3.42Å
287	I	95	Very high	94.1	Very high	33 Å²	33	39.2 Å²	39.2	17%	0.169	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-0.3	177.5	60	162.5	0	0	0	113.6	I34 A284 P285 G289 Q290 R292 A293	I34-I287 HydrophobicContact CG2-CD1 4.01Å; I34-I287 HydrophobicContact CG2-CG1 3.69Å; A284-I287 HydrophobicContact CB-CD1 4.15Å; A284-I287 HydrophobicContact CB-CG1 3.83Å; A284-I287 WeakPolarHBondContact O-CG1 3.41Å; A284-I287 PolarHBondContact O-N 3.48Å; P285-I287 VanDerWaalsContact C-N 3.31Å; P285-I287 PolarHBondContact O-N 2.83Å; I287-G289 PolarHBondContact O-N 2.9Å; I287-Q290 WeakPolarHBondContact O-CB 3.21Å; I287-Q290 PolarHBondContact O-N 3.02Å; I287-Q290 VanDerWaalsContact O-N 3.11Å; I287-R292 HydrophobicContact CB-CB 4.27Å; I287-A293 HydrophobicContact CD1-CB 4.29Å
288	A	95.2	Very high	94.1	Very high	34 Å²	34	39 Å²	39	28%	0.281	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	128.8	-179.4	0	0	0	0	0	112.1	G33 I34 A284 Q290	G33-A288 VanDerWaalsContact C-CB 3.47Å; I34-A288 HydrophobicContact CG2-CB 4.34Å; A284-A288 PolarHBondContact O-N 3.48Å; A288-Q290 PolarHBondContact O-N 2.81Å
289	G	95.4	Very high	94.2	Very high	73 Å²	73	38.5 Å²	38.5	75%	0.753	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.7	8.3	179.1	0	0	0	0	0	114.3	E37 I287	E37-G289 WeakPolarHBondContact OE2-CA 3.42Å; E37-G289 PolarHBondContact OE2-N 3.02Å; I287-G289 PolarHBondContact O-N 2.9Å
290	Q	97.3	Very high	94.7	Very high	100 Å²	100	39 Å²	39	47%	0.467	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	3.6	179.1	-59.8	176.4	28.2	0	0	113.1	D286 I287 A288 R292	D286-Q290 PolarHBondContact O-NE2 3.42Å; I287-Q290 WeakPolarHBondContact O-CB 3.21Å; I287-Q290 PolarHBondContact O-N 3.02Å; I287-Q290 VanDerWaalsContact O-N 3.11Å; A288-Q290 PolarHBondContact O-N 2.81Å; Q290-R292 VanDerWaalsContact C-N 3.27Å; Q290-R292 HydrophobicContact CB-CG 4.11Å; Q290-R292 WeakPolarHBondContact O-CG 3.24Å; Q290-R292 PolarHBondContact O-N 3.13Å
291	D	97.1	Very high	95.2	Very high	53 Å²	53	37.8 Å²	37.8	28%	0.283	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	38.2	-177.8	-167.3	30.3	0	0	0	111.8	T341 C342 S343	D291-T341 CarbonylContact O-C 3.58Å; D291-T341 WeakPolarHBondContact O-CA 3.44Å; D291-T341 WeakPolarHBondContact O-CB 3.19Å; D291-T341 VanDerWaalsContact OD2-CB 3.26Å; D291-T341 WeakPolarHBondContact OD2-CB 3.49Å; D291-C342 PolarHBondContact O-N 2.87Å; D291-C342 VanDerWaalsContact OD1-CB 3.29Å; D291-C342 WeakPolarHBondContact OD1-CB 3.25Å; D291-S343 VanDerWaalsContact CG-OG 3.28Å; D291-S343 WeakPolarHBondContact OD1-CB 3.36Å; D291-S343 PolarHBondContact OD1-N 3.21Å; D291-S343 PolarHBondContact OD1-OG 3.42Å; D291-S343 WeakPolarHBondContact OD2-CB 3.47Å; D291-S343 PolarHBondContact OD2-OG 3.12Å
292	R	96.9	Very high	95.7	Very high	127 Å²	127	36.5 Å²	36.5	48%	0.479	23%	0.226	S	C	.	.			trans	-118	-13.2	-174.6	-71.1	176.9	74.4	-177.4	2.2	114.1	I287 Q290	I287-R292 HydrophobicContact CB-CB 4.27Å; Q290-R292 VanDerWaalsContact C-N 3.27Å; Q290-R292 HydrophobicContact CB-CG 4.11Å; Q290-R292 WeakPolarHBondContact O-CG 3.24Å; Q290-R292 PolarHBondContact O-N 3.13Å
293	A	96.6	Very high	96.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.008	20%	0.201	C	C	.	.			trans	-70.3	150.1	-178.1	0	0	0	0	0	113	I34 E37 I38 I287 P295 C342	I34-A293 HydrophobicContact CB-CB 3.74Å; I34-A293 HydrophobicContact CD1-CB 3.77Å; I34-A293 HydrophobicContact CG1-CB 4.34Å; I34-A293 HydrophobicContact CG2-CB 3.83Å; E37-A293 HydrophobicContact CG-CB 4.18Å; E37-A293 WeakPolarHBondContact OE1-CA 3.41Å; E37-A293 WeakPolarHBondContact OE1-CB 3.45Å; E37-A293 PolarHBondContact OE1-N 2.95Å; I38-A293 HydrophobicContact CG2-CB 3.56Å; I287-A293 HydrophobicContact CD1-CB 4.29Å; A293-P295 WeakPolarHBondContact O-CD 3.45Å; A293-C342 WeakPolarHBondContact O-CB 3.39Å; A293-C342 PolarHBondContact O-SG 2.89Å
294	N	96.1	Very high	96.5	Very high	8 Å²	8	34.5 Å²	34.5	4%	0.043	20%	0.201	C	C	.	.			trans	-88.5	114.9	170.7	-178.2	2.8	0	0	0	110.3	T296 T333 D335 L336	N294-T296 PolarHBondContact O-N 2.73Å; N294-T296 WeakPolarHBondContact OD1-CB 3.47Å; N294-T296 PolarHBondContact OD1-N 2.85Å; N294-T296 PolarHBondContact OD1-OG1 2.91Å; N294-T333 HydrophobicContact CB-CG2 4.34Å; N294-T333 WeakPolarHBondContact CB-OG1 3.5Å; N294-D335 WeakPolarHBondContact CB-OD1 3.47Å; N294-D335 VanDerWaalsContact CB-OD2 3.23Å; N294-D335 WeakPolarHBondContact CB-OD2 3.21Å; N294-D335 PolarHBondContact ND2-OD2 3.46Å; N294-L336 WeakPolarHBondContact ND2-CD1 3.42Å; N294-L336 WeakPolarHBondContact ND2-CG 3.32Å
295	P	97.2	Very high	96.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.19	C	C	.	.			trans	-79.3	-0.5	179.3	33.5	-35.3	0	0	0	113.7	I38 A41 A293 A297 L298 L299 Y345	I38-P295 HydrophobicContact CB-CB 3.99Å; I38-P295 HydrophobicContact CG2-CB 4.13Å; A41-P295 HydrophobicContact CB-CB 3.82Å; A41-P295 HydrophobicContact CB-CG 4.04Å; A293-P295 WeakPolarHBondContact O-CD 3.45Å; P295-A297 PolarHBondContact O-N 3.23Å; P295-L298 PolarHBondContact O-N 2.93Å; P295-L299 WeakPolarHBondContact O-CB 3.5Å; P295-L299 PolarHBondContact O-N 3.46Å; P295-Y345 HydrophobicContact CG-CD1 3.76Å; P295-Y345 HydrophobicContact CG-CE1 4.13Å
296	T	96.8	Very high	97.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57.6	-48.1	-168.5	-62.2	0	0	0	0	114	V264 N294 L298 L299 F300 V322 I326 Y345	V264-T296 HydrophobicContact CB-CG2 4.28Å; V264-T296 HydrophobicContact CG1-CG2 4.03Å; N294-T296 PolarHBondContact O-N 2.73Å; N294-T296 WeakPolarHBondContact OD1-CB 3.47Å; N294-T296 PolarHBondContact OD1-N 2.85Å; N294-T296 PolarHBondContact OD1-OG1 2.91Å; T296-L298 PolarHBondContact O-N 3.33Å; T296-L299 PolarHBondContact O-N 3.2Å; T296-F300 HydrophobicContact CG2-CD2 3.53Å; T296-F300 HydrophobicContact CG2-CE2 3.22Å; T296-F300 HydrophobicContact CG2-CG 4.42Å; T296-F300 HydrophobicContact CG2-CZ 3.92Å; T296-F300 PolarHBondContact O-N 3.38Å; T296-V322 HydrophobicContact CG2-CG2 4.39Å; T296-I326 HydrophobicContact CG2-CD1 4.14Å; T296-Y345 WeakPolarHBondContact OG1-CE1 3.48Å; T296-Y345 PolarHBondContact OG1-OH 3.46Å; T296-Y345 VanDerWaalsContact OG1-OH 3.08Å
297	A	96.8	Very high	97.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.4	-44.4	179.2	0	0	0	0	0	112.7	L262 G263 T265 P295 S301	L262-A297 WeakPolarHBondContact O-CB 3.13Å; G263-A297 VanDerWaalsContact O-CB 3.28Å; G263-A297 WeakPolarHBondContact O-CB 3.42Å; G263-A297 PolarHBondContact O-N 3.35Å; T265-A297 WeakPolarHBondContact O-CB 3.16Å; P295-A297 PolarHBondContact O-N 3.23Å; A297-S301 WeakPolarHBondContact O-CB 3.31Å; A297-S301 PolarHBondContact O-N 2.98Å; A297-S301 PolarHBondContact O-OG 2.56Å
298	L	98.2	Very high	97.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-68.8	-38.5	177.5	-171.6	64	0	0	0	111	I38 V42 L87 K88 P295 T296 S301 A302	I38-L298 HydrophobicContact CB-CD2 4.4Å; I38-L298 HydrophobicContact CD1-CB 4.11Å; I38-L298 HydrophobicContact CD1-CD2 3.95Å; I38-L298 HydrophobicContact CG1-CD2 3.74Å; V42-L298 HydrophobicContact CG2-CB 4.3Å; V42-L298 HydrophobicContact CG2-CD2 4.18Å; V42-L298 HydrophobicContact CG2-CG 4.1Å; L87-L298 HydrophobicContact CD1-CD1 3.66Å; L87-L298 HydrophobicContact CD1-CG 4.3Å; L87-L298 HydrophobicContact CD2-CD1 4.4Å; L87-L298 HydrophobicContact CD2-CG 4.35Å; L87-L298 HydrophobicContact CG-CD1 3.91Å; L87-L298 HydrophobicContact CG-CG 4.39Å; K88-L298 VanDerWaalsContact O-CD1 3.25Å; K88-L298 WeakPolarHBondContact O-CD1 3.49Å; P295-L298 PolarHBondContact O-N 2.93Å; T296-L298 PolarHBondContact O-N 3.33Å; L298-S301 WeakPolarHBondContact O-CB 3.4Å; L298-S301 PolarHBondContact O-N 3.03Å; L298-A302 WeakPolarHBondContact O-CB 3.25Å; L298-A302 PolarHBondContact O-N 3.48Å
299	L	98.5	Very high	97.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.3	-45.6	176.6	-176.6	63	0	0	0	112	V42 I45 F46 P295 T296 S301 A302 I303 I318 V322 I349	V42-L299 HydrophobicContact CG1-CD1 4.33Å; V42-L299 HydrophobicContact CG2-CB 4.05Å; V42-L299 HydrophobicContact CG2-CD1 4.18Å; I45-L299 HydrophobicContact CB-CD1 4.47Å; I45-L299 HydrophobicContact CD1-CD1 4.08Å; I45-L299 HydrophobicContact CD1-CD2 3.78Å; I45-L299 HydrophobicContact CG2-CD1 4.09Å; F46-L299 HydrophobicContact CE2-CD1 4.04Å; P295-L299 WeakPolarHBondContact O-CB 3.5Å; P295-L299 PolarHBondContact O-N 3.46Å; T296-L299 PolarHBondContact O-N 3.2Å; L299-S301 VanDerWaalsContact C-N 3.28Å; L299-S301 PolarHBondContact O-N 2.96Å; L299-A302 CarbonylContact O-C 3.59Å; L299-A302 WeakPolarHBondContact O-CA 3.43Å; L299-A302 WeakPolarHBondContact O-CB 3.09Å; L299-A302 PolarHBondContact O-N 3.47Å; L299-A302 VanDerWaalsContact O-N 3.13Å; L299-I303 HydrophobicContact CG-CD1 4.34Å; L299-I303 WeakPolarHBondContact O-CG1 3.25Å; L299-I303 PolarHBondContact O-N 3.21Å; L299-I318 HydrophobicContact CD1-CG2 3.89Å; L299-I318 HydrophobicContact CD2-CG2 4.38Å; L299-I318 HydrophobicContact CG-CG2 4.3Å; L299-V322 HydrophobicContact CD2-CB 4.03Å; L299-V322 HydrophobicContact CD2-CG1 4.46Å; L299-V322 HydrophobicContact CD2-CG2 4.05Å; L299-I349 HydrophobicContact CD2-CD1 3.92Å
300	F	98	Very high	97.3	Very high	18 Å²	18	31.1 Å²	31.1	8%	0.079	14%	0.14	C	C	.	.	H	α-helix	trans	-63.6	-35.4	174.2	-74.4	-39.5	0	0	0	112.1	I122 V264 P266 T296 A302 I303 M304 V322 L323 I326	I122-F300 HydrophobicContact CD1-CE2 3.8Å; I122-F300 HydrophobicContact CD1-CZ 4.2Å; V264-F300 WeakPolarHBondContact O-CD2 3.29Å; P266-F300 HydrophobicContact CB-CB 3.56Å; P266-F300 HydrophobicContact CG-CB 3.89Å; T296-F300 HydrophobicContact CG2-CD2 3.53Å; T296-F300 HydrophobicContact CG2-CE2 3.22Å; T296-F300 HydrophobicContact CG2-CG 4.42Å; T296-F300 HydrophobicContact CG2-CZ 3.92Å; T296-F300 PolarHBondContact O-N 3.38Å; F300-A302 VanDerWaalsContact C-N 3.32Å; F300-I303 HydrophobicContact CD1-CD1 3.75Å; F300-I303 HydrophobicContact CE1-CD1 4.37Å; F300-I303 WeakPolarHBondContact O-CB 3.4Å; F300-I303 PolarHBondContact O-N 3.29Å; F300-M304 PolarHBondContact O-N 3.21Å; F300-V322 HydrophobicContact CD1-CG1 4.12Å; F300-V322 HydrophobicContact CE1-CG1 3.36Å; F300-V322 HydrophobicContact CE1-CG2 4.42Å; F300-V322 HydrophobicContact CZ-CG1 3.99Å; F300-V322 HydrophobicContact CZ-CG2 4.36Å; F300-L323 HydrophobicContact CE1-CD2 4.41Å; F300-L323 HydrophobicContact CZ-CD2 4.04Å; F300-I326 HydrophobicContact CZ-CD1 4.4Å
301	S	98.5	Very high	97.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.6	-38	172.9	-55.2	0	0	0	0	111.3	P266 S267 F277 E278 A297 L298 L299 I303 M304 M305	P266-S301 VanDerWaalsContact CA-OG 3.23Å; P266-S301 WeakPolarHBondContact CA-OG 3.38Å; P266-S301 WeakPolarHBondContact CB-OG 3.5Å; S267-S301 PolarHBondContact N-OG 3.1Å; F277-S301 WeakPolarHBondContact CB-O 3.36Å; F277-S301 WeakPolarHBondContact CD1-O 3.33Å; E278-S301 PolarHBondContact O-OG 3.17Å; A297-S301 WeakPolarHBondContact O-CB 3.31Å; A297-S301 PolarHBondContact O-N 2.98Å; A297-S301 PolarHBondContact O-OG 2.56Å; L298-S301 WeakPolarHBondContact O-CB 3.4Å; L298-S301 PolarHBondContact O-N 3.03Å; L299-S301 VanDerWaalsContact C-N 3.28Å; L299-S301 PolarHBondContact O-N 2.96Å; S301-I303 VanDerWaalsContact C-N 3.34Å; S301-M304 WeakPolarHBondContact O-CB 3.27Å; S301-M304 PolarHBondContact O-N 3.04Å; S301-M305 PolarHBondContact O-N 3.37Å
302	A	98.5	Very high	97.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-68	-32.4	173	0	0	0	0	0	112.3	V42 F46 L87 L298 L299 F300 M305 L306	V42-A302 HydrophobicContact CG1-CB 3.82Å; F46-A302 HydrophobicContact CE1-CB 4.44Å; F46-A302 HydrophobicContact CE2-CB 3.81Å; F46-A302 HydrophobicContact CZ-CB 3.48Å; F46-A302 VanDerWaalsContact CZ-CB 3.48Å; L87-A302 HydrophobicContact CD1-CB 3.9Å; L87-A302 HydrophobicContact CD2-CB 3.78Å; L298-A302 WeakPolarHBondContact O-CB 3.25Å; L298-A302 PolarHBondContact O-N 3.48Å; L299-A302 CarbonylContact O-C 3.59Å; L299-A302 WeakPolarHBondContact O-CA 3.43Å; L299-A302 WeakPolarHBondContact O-CB 3.09Å; L299-A302 PolarHBondContact O-N 3.47Å; L299-A302 VanDerWaalsContact O-N 3.13Å; F300-A302 VanDerWaalsContact C-N 3.32Å; A302-M305 VanDerWaalsContact O-CB 3.29Å; A302-M305 WeakPolarHBondContact O-CB 3.11Å; A302-M305 PolarHBondContact O-N 3.03Å; A302-L306 WeakPolarHBondContact O-CG 3.45Å; A302-L306 PolarHBondContact O-N 3Å
303	I	98.5	Very high	97.2	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.015	14%	0.14	C	C	.	.	H	α-helix	trans	-65.3	-44	170.7	-70.7	158.9	0	0	0	110.3	L299 F300 S301 M305 L306 R307 A315 I318 E319 V322	L299-I303 HydrophobicContact CG-CD1 4.34Å; L299-I303 WeakPolarHBondContact O-CG1 3.25Å; L299-I303 PolarHBondContact O-N 3.21Å; F300-I303 HydrophobicContact CD1-CD1 3.75Å; F300-I303 HydrophobicContact CE1-CD1 4.37Å; F300-I303 WeakPolarHBondContact O-CB 3.4Å; F300-I303 PolarHBondContact O-N 3.29Å; S301-I303 VanDerWaalsContact C-N 3.34Å; I303-M305 PolarHBondContact O-N 3.49Å; I303-L306 WeakPolarHBondContact O-CB 3.43Å; I303-L306 PolarHBondContact O-N 3.36Å; I303-L306 VanDerWaalsContact O-N 3.12Å; I303-R307 WeakPolarHBondContact O-CG 3.32Å; I303-R307 PolarHBondContact O-N 3.32Å; I303-A315 HydrophobicContact CG2-CB 4.07Å; I303-I318 HydrophobicContact CD1-CB 4.49Å; I303-I318 HydrophobicContact CD1-CG2 4Å; I303-I318 HydrophobicContact CG1-CB 4.37Å; I303-I318 HydrophobicContact CG1-CG2 4.11Å; I303-E319 HydrophobicContact CD1-CB 3.92Å; I303-E319 HydrophobicContact CD1-CG 4.49Å; I303-E319 HydrophobicContact CG2-CB 4.15Å; I303-V322 HydrophobicContact CD1-CG1 4.29Å
304	M	98.2	Very high	97.3	Very high	34 Å²	34	32.4 Å²	32.4	17%	0.167	15%	0.15	C	C	.	.	H	α-helix	trans	-57.4	-40.6	172.4	-70.1	177.5	62.8	0	0	111.4	V116 P118 P266 F277 F300 S301 R307 Y308	V116-M304 HydrophobicContact CB-CE 4.39Å; V116-M304 HydrophobicContact CG1-CE 4.36Å; P118-M304 HydrophobicContact CG-CE 4.03Å; P118-M304 HydrophobicContact CG-SD 4.01Å; P266-M304 HydrophobicContact CB-CG 4.48Å; P266-M304 HydrophobicContact CB-SD 3.61Å; P266-M304 HydrophobicContact CG-SD 3.84Å; F277-M304 HydrophobicContact CD1-CB 3.7Å; F277-M304 HydrophobicContact CE1-CB 3.7Å; F300-M304 PolarHBondContact O-N 3.21Å; S301-M304 WeakPolarHBondContact O-CB 3.27Å; S301-M304 PolarHBondContact O-N 3.04Å; M304-R307 PolarHBondContact O-N 3.22Å; M304-Y308 PolarHBondContact O-N 2.79Å
305	M	98.2	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.5	-44.3	174	-174	-172.3	70.7	0	0	112.5	V26 F46 I53 W55 I85 L87 F277 S301 A302 I303 R307 Y308 M309	V26-M305 HydrophobicContact CG1-CE 4.15Å; V26-M305 HydrophobicContact CG1-SD 3.53Å; V26-M305 VanDerWaalsContact CG1-SD 3.53Å; V26-M305 HydrophobicContact CG2-CE 4.37Å; V26-M305 HydrophobicContact CG2-SD 4.3Å; F46-M305 HydrophobicContact CE1-CE 4.03Å; I53-M305 HydrophobicContact CD1-CE 4.12Å; W55-M305 HydrophobicContact CH2-CE 3.78Å; W55-M305 HydrophobicContact CZ3-CE 4.13Å; I85-M305 HydrophobicContact CG2-CG 3.67Å; I85-M305 HydrophobicContact CG2-SD 3.89Å; L87-M305 HydrophobicContact CB-SD 4.12Å; F277-M305 HydrophobicContact CB-CB 4.27Å; F277-M305 HydrophobicContact CD1-CB 4.23Å; F277-M305 HydrophobicContact CD2-CB 3.35Å; F277-M305 HydrophobicContact CD2-CG 3.51Å; F277-M305 HydrophobicContact CD2-SD 4.37Å; F277-M305 HydrophobicContact CE1-CB 4.49Å; F277-M305 HydrophobicContact CE2-CB 3.67Å; F277-M305 HydrophobicContact CE2-CG 3.71Å; F277-M305 HydrophobicContact CG-CB 3.68Å; F277-M305 HydrophobicContact CG-CG 4.31Å; F277-M305 HydrophobicContact CZ-CB 4.24Å; S301-M305 PolarHBondContact O-N 3.37Å; A302-M305 VanDerWaalsContact O-CB 3.29Å; A302-M305 WeakPolarHBondContact O-CB 3.11Å; A302-M305 PolarHBondContact O-N 3.03Å; I303-M305 PolarHBondContact O-N 3.49Å; M305-R307 VanDerWaalsContact C-N 3.31Å; M305-R307 PolarHBondContact O-N 3.16Å; M305-Y308 WeakPolarHBondContact O-CB 3.37Å; M305-Y308 PolarHBondContact O-N 3.46Å; M305-M309 HydrophobicContact CG-SD 4.06Å; M305-M309 VanDerWaalsContact O-CG 3.31Å; M305-M309 WeakPolarHBondContact O-CG 3.4Å; M305-M309 PolarHBondContact O-N 3.31Å
306	L	98.1	Very high	97.4	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-41.1	176	-69.1	178.4	0	0	0	111.9	F46 V51 A302 I303 M309 N310 L311 H314 A315 I318	F46-L306 HydrophobicContact CE1-CD1 3.89Å; F46-L306 HydrophobicContact CE1-CD2 3.76Å; F46-L306 HydrophobicContact CE1-CG 3.87Å; F46-L306 HydrophobicContact CE2-CD1 4.38Å; F46-L306 HydrophobicContact CZ-CD1 3.63Å; F46-L306 HydrophobicContact CZ-CD2 4.28Å; F46-L306 HydrophobicContact CZ-CG 3.86Å; V51-L306 HydrophobicContact CG1-CD2 3.59Å; A302-L306 WeakPolarHBondContact O-CG 3.45Å; A302-L306 PolarHBondContact O-N 3Å; I303-L306 WeakPolarHBondContact O-CB 3.43Å; I303-L306 PolarHBondContact O-N 3.36Å; I303-L306 VanDerWaalsContact O-N 3.12Å; L306-M309 CarbonylContact O-C 3.44Å; L306-M309 PolarHBondContact O-N 3.43Å; L306-N310 PolarHBondContact O-N 3.44Å; L306-L311 HydrophobicContact CB-CB 4.2Å; L306-L311 HydrophobicContact CD2-CB 4.01Å; L306-L311 HydrophobicContact CD2-CD1 3.69Å; L306-L311 HydrophobicContact CD2-CG 4.5Å; L306-L311 PolarHBondContact O-N 3.49Å; L306-H314 HydrophobicContact CD1-CB 4.08Å; L306-A315 HydrophobicContact CB-CB 3.88Å; L306-A315 HydrophobicContact CD1-CB 4.48Å; L306-I318 HydrophobicContact CD1-CD1 3.97Å
307	R	96.7	Very high	97.4	Very high	79 Å²	79	36 Å²	36	30%	0.298	17%	0.169	S	C	.	.	H	α-helix	trans	-62.1	-45.3	175	-65.2	-173.4	-177.4	-64.4	-2.3	111.2	I303 M304 M305 M309 N310 A315 D316 E319	I303-R307 WeakPolarHBondContact O-CG 3.32Å; I303-R307 PolarHBondContact O-N 3.32Å; M304-R307 PolarHBondContact O-N 3.22Å; M305-R307 VanDerWaalsContact C-N 3.31Å; M305-R307 PolarHBondContact O-N 3.16Å; R307-M309 PolarHBondContact O-N 2.75Å; R307-N310 PolarHBondContact O-N 3.27Å; R307-A315 HydrophobicContact CG-CB 3.76Å; R307-D316 IonicContact CZ-OD1 3.64Å; R307-D316 VanDerWaalsContact CZ-OD1 3.3Å; R307-D316 IonicContact NH1-OD1 2.93Å; R307-D316 PolarHBondContact NH1-OD1 3.14Å; R307-D316 IonicContact NH2-OD1 3.23Å; R307-D316 PolarHBondContact NH2-OD1 3.33Å; R307-E319 IonicContact CZ-OE2 4Å; R307-E319 IonicContact NH2-OE2 2.85Å; R307-E319 PolarHBondContact NH2-OE2 3.47Å
308	Y	95.8	Very high	97.5	Very high	92 Å²	92	36 Å²	36	36%	0.361	17%	0.169	S	C	.	.	H	α-helix	trans	-58.3	-35	174.3	-176.4	-92.2	0	0	0	112.6	I85 I270 A275 F277 M304 M305 N310	I85-Y308 HydrophobicContact CD1-CD1 4.07Å; I85-Y308 HydrophobicContact CD1-CE1 4.03Å; I85-Y308 HydrophobicContact CG1-CE1 4.2Å; I270-Y308 HydrophobicContact CD1-CD2 4.41Å; I270-Y308 HydrophobicContact CD1-CE2 4.47Å; I270-Y308 HydrophobicContact CG2-CE2 4.09Å; A275-Y308 HydrophobicContact CB-CD1 4.31Å; A275-Y308 HydrophobicContact CB-CD2 4.5Å; A275-Y308 HydrophobicContact CB-CE1 3.93Å; A275-Y308 HydrophobicContact CB-CE2 4.13Å; F277-Y308 HydrophobicContact CE2-CD1 4.41Å; F277-Y308 HydrophobicContact CE2-CG 4.3Å; F277-Y308 HydrophobicContact CZ-CD1 4.43Å; F277-Y308 HydrophobicContact CZ-CD2 4.28Å; F277-Y308 AromaticContact CZ-CG 3.88Å; F277-Y308 HydrophobicContact CZ-CG 3.88Å; M304-Y308 PolarHBondContact O-N 2.79Å; M305-Y308 WeakPolarHBondContact O-CB 3.37Å; M305-Y308 PolarHBondContact O-N 3.46Å; Y308-N310 VanDerWaalsContact C-N 3.28Å; Y308-N310 PolarHBondContact O-N 2.86Å
309	M	95.8	Very high	97.5	Very high	10 Å²	10	38.9 Å²	38.9	5%	0.049	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	1.2	176.2	-66.8	173.6	72.6	0	0	114.4	K24 V26 I53 I85 M305 L306 R307 L311	K24-M309 HydrophobicContact CB-CE 3.55Å; K24-M309 HydrophobicContact CD-CE 3.73Å; K24-M309 HydrophobicContact CG-CE 4.24Å; V26-M309 HydrophobicContact CG2-CE 3.92Å; V26-M309 HydrophobicContact CG2-SD 3.95Å; I53-M309 HydrophobicContact CG2-CE 3.65Å; I53-M309 HydrophobicContact CG2-SD 4.46Å; I85-M309 HydrophobicContact CD1-CG 3.58Å; I85-M309 HydrophobicContact CD1-SD 4.18Å; I85-M309 HydrophobicContact CG2-SD 4.22Å; M305-M309 HydrophobicContact CG-SD 4.06Å; M305-M309 VanDerWaalsContact O-CG 3.31Å; M305-M309 WeakPolarHBondContact O-CG 3.4Å; M305-M309 PolarHBondContact O-N 3.31Å; L306-M309 CarbonylContact O-C 3.44Å; L306-M309 PolarHBondContact O-N 3.43Å; R307-M309 PolarHBondContact O-N 2.75Å; M309-L311 HydrophobicContact CB-CD1 4.24Å; M309-L311 HydrophobicContact CB-CG 4.2Å; M309-L311 HydrophobicContact CE-CD1 4.23Å; M309-L311 PolarHBondContact O-N 2.81Å
310	N	95.5	Very high	97.4	Very high	129 Å²	129	40.8 Å²	40.8	69%	0.69	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	21.6	-171.7	-60.7	-72.8	0	0	0	114.7	L306 R307 Y308 N312	L306-N310 PolarHBondContact O-N 3.44Å; R307-N310 PolarHBondContact O-N 3.27Å; Y308-N310 VanDerWaalsContact C-N 3.28Å; Y308-N310 PolarHBondContact O-N 2.86Å; N310-N312 PolarHBondContact O-N 2.98Å; N310-N312 VanDerWaalsContact O-N 3.14Å
311	L	96.9	Very high	97.4	Very high	30 Å²	30	39.9 Å²	39.9	16%	0.157	19%	0.192	C	C	.	.			trans	-86.4	44.7	174.2	-64.6	175.1	0	0	0	111.5	V51 P52 I53 L306 M309 K313 H314 A315	V51-L311 HydrophobicContact CG1-CD1 4.42Å; P52-L311 HydrophobicContact CG-CD1 4.18Å; P52-L311 HydrophobicContact CG-CD2 3.74Å; I53-L311 HydrophobicContact CG2-CD1 3.87Å; L306-L311 HydrophobicContact CB-CB 4.2Å; L306-L311 HydrophobicContact CD2-CB 4.01Å; L306-L311 HydrophobicContact CD2-CD1 3.69Å; L306-L311 HydrophobicContact CD2-CG 4.5Å; L306-L311 PolarHBondContact O-N 3.49Å; M309-L311 HydrophobicContact CB-CD1 4.24Å; M309-L311 HydrophobicContact CB-CG 4.2Å; M309-L311 HydrophobicContact CE-CD1 4.23Å; M309-L311 PolarHBondContact O-N 2.81Å; L311-K313 VanDerWaalsContact C-N 3.31Å; L311-K313 PolarHBondContact O-N 3.19Å; L311-H314 PolarHBondContact O-N 2.92Å; L311-A315 PolarHBondContact O-N 2.75Å; L311-A315 VanDerWaalsContact O-N 3.08Å
312	N	96.7	Very high	97.4	Very high	67 Å²	67	39.9 Å²	39.9	36%	0.358	19%	0.192	S	C	.	.	H	α-helix	trans	-57.2	-38.3	-170.5	-65.5	-45.3	0	0	0	113.6	N310 H314 A315 D316	N310-N312 PolarHBondContact O-N 2.98Å; N310-N312 VanDerWaalsContact O-N 3.14Å; N312-H314 VanDerWaalsContact C-N 3.28Å; N312-H314 PolarHBondContact O-N 2.85Å; N312-A315 WeakPolarHBondContact O-CB 3.47Å; N312-A315 PolarHBondContact O-N 2.9Å; N312-D316 PolarHBondContact O-N 3.35Å
313	K	96.6	Very high	97.3	Very high	164 Å²	164	42.8 Å²	42.8	71%	0.713	21%	0.207	S	C	*	.	H	α-helix	trans	-59.6	-38.2	178	-68.5	-173.3	178.6	-176.6	0	113.1	L311 L317	L311-K313 VanDerWaalsContact C-N 3.31Å; L311-K313 PolarHBondContact O-N 3.19Å; K313-L317 WeakPolarHBondContact O-CB 3.3Å; K313-L317 PolarHBondContact O-N 3.06Å
314	H	97.6	Very high	97.2	Very high	46 Å²	46	42.8 Å²	42.8	21%	0.213	21%	0.208	C	C	.	.	H	α-helix	trans	-75.8	-41.2	177.2	-58.9	89.7	0	0	0	110.4	V51 P52 L306 L311 N312 D316 L317 I318	V51-H314 HydrophobicContact CG2-CB 4.24Å; P52-H314 VanDerWaalsContact CD-CE1 3.46Å; P52-H314 WeakPolarHBondContact CD-CE1 3.43Å; P52-H314 WeakPolarHBondContact CD-NE2 3.42Å; L306-H314 HydrophobicContact CD1-CB 4.08Å; L311-H314 PolarHBondContact O-N 2.92Å; N312-H314 VanDerWaalsContact C-N 3.28Å; N312-H314 PolarHBondContact O-N 2.85Å; H314-D316 PolarHBondContact O-N 2.61Å; H314-L317 PolarHBondContact O-N 3.13Å; H314-I318 WeakPolarHBondContact O-CG1 3.36Å; H314-I318 PolarHBondContact O-N 3.18Å
315	A	97.9	Very high	97.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-55.2	-51.1	174.6	0	0	0	0	0	111.2	I303 L306 R307 L311 N312 L317 I318 E319	I303-A315 HydrophobicContact CG2-CB 4.07Å; L306-A315 HydrophobicContact CB-CB 3.88Å; L306-A315 HydrophobicContact CD1-CB 4.48Å; R307-A315 HydrophobicContact CG-CB 3.76Å; L311-A315 PolarHBondContact O-N 2.75Å; L311-A315 VanDerWaalsContact O-N 3.08Å; N312-A315 WeakPolarHBondContact O-CB 3.47Å; N312-A315 PolarHBondContact O-N 2.9Å; A315-L317 VanDerWaalsContact C-N 3.35Å; A315-L317 PolarHBondContact O-N 2.6Å; A315-I318 PolarHBondContact O-N 3.14Å; A315-E319 WeakPolarHBondContact O-CB 3.3Å; A315-E319 PolarHBondContact O-N 2.87Å
316	D	97.8	Very high	97	Very high	62 Å²	62	41.3 Å²	41.3	33%	0.332	20%	0.2	S	C	.	.	H	α-helix	trans	-65.3	-37	-179.2	-59.5	-23.5	0	0	0	112.3	R307 N312 H314 S320	R307-D316 IonicContact CZ-OD1 3.64Å; R307-D316 VanDerWaalsContact CZ-OD1 3.3Å; R307-D316 IonicContact NH1-OD1 2.93Å; R307-D316 PolarHBondContact NH1-OD1 3.14Å; R307-D316 IonicContact NH2-OD1 3.23Å; R307-D316 PolarHBondContact NH2-OD1 3.33Å; N312-D316 PolarHBondContact O-N 3.35Å; H314-D316 PolarHBondContact O-N 2.61Å; D316-S320 WeakPolarHBondContact O-CB 3.37Å; D316-S320 PolarHBondContact O-N 2.88Å; D316-S320 PolarHBondContact O-OG 3.2Å
317	L	98.1	Very high	96.8	Very high	21 Å²	21	47.2 Å²	47.2	11%	0.11	22%	0.222	C	C	.	.	H	α-helix	trans	-63.8	-52.1	177.4	177	60.6	0	0	0	111.1	K313 H314 A315 S320 A321 I353 K356	K313-L317 WeakPolarHBondContact O-CB 3.3Å; K313-L317 PolarHBondContact O-N 3.06Å; H314-L317 PolarHBondContact O-N 3.13Å; A315-L317 VanDerWaalsContact C-N 3.35Å; A315-L317 PolarHBondContact O-N 2.6Å; L317-S320 PolarHBondContact O-OG 2.73Å; L317-A321 WeakPolarHBondContact O-CB 3.4Å; L317-A321 PolarHBondContact O-N 3.42Å; L317-A321 VanDerWaalsContact O-N 3.15Å; L317-I353 HydrophobicContact CD1-CG2 4.35Å; L317-I353 HydrophobicContact CD2-CG2 3.96Å; L317-I353 HydrophobicContact CG-CG2 4.08Å; L317-K356 HydrophobicContact CD1-CB 3.8Å
318	I	98.4	Very high	96.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.2	-44.7	-178.5	-61.7	171.2	0	0	0	110.3	I45 F46 A49 V51 L299 I303 L306 H314 A315 S320 A321 V322 I353	I45-I318 HydrophobicContact CG2-CD1 4.46Å; I45-I318 HydrophobicContact CG2-CG1 4.43Å; I45-I318 HydrophobicContact CG2-CG2 3.83Å; F46-I318 HydrophobicContact CD2-CD1 3.97Å; F46-I318 HydrophobicContact CE2-CD1 3.88Å; F46-I318 HydrophobicContact CZ-CD1 4.46Å; A49-I318 HydrophobicContact CB-CD1 3.92Å; A49-I318 HydrophobicContact CB-CG1 3.88Å; V51-I318 HydrophobicContact CG2-CD1 3.87Å; L299-I318 HydrophobicContact CD1-CG2 3.89Å; L299-I318 HydrophobicContact CD2-CG2 4.38Å; L299-I318 HydrophobicContact CG-CG2 4.3Å; I303-I318 HydrophobicContact CD1-CB 4.49Å; I303-I318 HydrophobicContact CD1-CG2 4Å; I303-I318 HydrophobicContact CG1-CB 4.37Å; I303-I318 HydrophobicContact CG1-CG2 4.11Å; L306-I318 HydrophobicContact CD1-CD1 3.97Å; H314-I318 WeakPolarHBondContact O-CG1 3.36Å; H314-I318 PolarHBondContact O-N 3.18Å; A315-I318 PolarHBondContact O-N 3.14Å; I318-S320 PolarHBondContact O-N 3.33Å; I318-A321 WeakPolarHBondContact O-CB 3.2Å; I318-A321 PolarHBondContact O-N 2.95Å; I318-A321 VanDerWaalsContact O-N 3.14Å; I318-V322 WeakPolarHBondContact O-CG1 3.24Å; I318-V322 PolarHBondContact O-N 3.25Å; I318-I353 HydrophobicContact CG1-CD1 4.21Å
319	E	97.8	Very high	96.6	Very high	62 Å²	62	45 Å²	45	29%	0.29	23%	0.229	S	C	.	.	H	α-helix	trans	-58.7	-48.4	178.6	-174.8	174.7	-135.5	0	0	111.4	I303 R307 A315 A321 V322 L323	I303-E319 HydrophobicContact CD1-CB 3.92Å; I303-E319 HydrophobicContact CD1-CG 4.49Å; I303-E319 HydrophobicContact CG2-CB 4.15Å; R307-E319 IonicContact CZ-OE2 4Å; R307-E319 IonicContact NH2-OE2 2.85Å; R307-E319 PolarHBondContact NH2-OE2 3.47Å; A315-E319 WeakPolarHBondContact O-CB 3.3Å; A315-E319 PolarHBondContact O-N 2.87Å; E319-A321 PolarHBondContact O-N 2.75Å; E319-V322 WeakPolarHBondContact O-CG1 3.25Å; E319-V322 PolarHBondContact O-N 3.32Å; E319-L323 HydrophobicContact CG-CD1 3.89Å; E319-L323 HydrophobicContact CG-CG 4.36Å; E319-L323 WeakPolarHBondContact O-CB 3.45Å; E319-L323 VanDerWaalsContact O-CG 3.22Å; E319-L323 WeakPolarHBondContact O-CG 3.46Å; E319-L323 PolarHBondContact O-N 2.96Å
320	S	97.2	Very high	96.5	Very high	39 Å²	39	51.3 Å²	51.3	27%	0.273	26%	0.256	S	S	.	.	H	α-helix	trans	-65.2	-29.2	178.7	65.1	0	0	0	0	112.9	D316 L317 I318 A324 K356	D316-S320 WeakPolarHBondContact O-CB 3.37Å; D316-S320 PolarHBondContact O-N 2.88Å; D316-S320 PolarHBondContact O-OG 3.2Å; L317-S320 PolarHBondContact O-OG 2.73Å; I318-S320 PolarHBondContact O-N 3.33Å; S320-A324 VanDerWaalsContact O-CB 3.24Å; S320-A324 WeakPolarHBondContact O-CB 3.44Å; S320-A324 PolarHBondContact O-N 3.41Å; S320-K356 VanDerWaalsContact C-CE 3.5Å; S320-K356 WeakPolarHBondContact O-CE 3.31Å; S320-K356 PolarHBondContact O-NZ 3.05Å; S320-K356 WeakPolarHBondContact OG-CD 3.36Å
321	A	98	Very high	96.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-73.1	-44.8	176.2	0	0	0	0	0	113	L317 I318 E319 A324 T325 I349 Q352 I353 K356	L317-A321 WeakPolarHBondContact O-CB 3.4Å; L317-A321 PolarHBondContact O-N 3.42Å; L317-A321 VanDerWaalsContact O-N 3.15Å; I318-A321 WeakPolarHBondContact O-CB 3.2Å; I318-A321 PolarHBondContact O-N 2.95Å; I318-A321 VanDerWaalsContact O-N 3.14Å; E319-A321 PolarHBondContact O-N 2.75Å; A321-A324 PolarHBondContact O-N 2.74Å; A321-T325 PolarHBondContact O-N 3.49Å; A321-T325 PolarHBondContact O-OG1 3.46Å; A321-I349 HydrophobicContact CB-CG2 4.31Å; A321-Q352 HydrophobicContact CB-CB 3.73Å; A321-I353 HydrophobicContact CB-CB 4.45Å; A321-I353 HydrophobicContact CB-CD1 4.39Å; A321-I353 HydrophobicContact CB-CG1 3.44Å; A321-I353 VanDerWaalsContact CB-CG1 3.44Å; A321-K356 HydrophobicContact CB-CD 4.28Å
322	V	97.4	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66	-41.8	175.2	62.8	0	0	0	0	111.2	T296 L299 F300 I303 I318 E319 A324 T325 I326 I349	T296-V322 HydrophobicContact CG2-CG2 4.39Å; L299-V322 HydrophobicContact CD2-CB 4.03Å; L299-V322 HydrophobicContact CD2-CG1 4.46Å; L299-V322 HydrophobicContact CD2-CG2 4.05Å; F300-V322 HydrophobicContact CD1-CG1 4.12Å; F300-V322 HydrophobicContact CE1-CG1 3.36Å; F300-V322 HydrophobicContact CE1-CG2 4.42Å; F300-V322 HydrophobicContact CZ-CG1 3.99Å; F300-V322 HydrophobicContact CZ-CG2 4.36Å; I303-V322 HydrophobicContact CD1-CG1 4.29Å; I318-V322 WeakPolarHBondContact O-CG1 3.24Å; I318-V322 PolarHBondContact O-N 3.25Å; E319-V322 WeakPolarHBondContact O-CG1 3.25Å; E319-V322 PolarHBondContact O-N 3.32Å; V322-A324 VanDerWaalsContact C-N 3.34Å; V322-A324 PolarHBondContact O-N 3.22Å; V322-T325 WeakPolarHBondContact O-CB 3.27Å; V322-T325 PolarHBondContact O-N 2.99Å; V322-I326 HydrophobicContact CG2-CD1 4.07Å; V322-I326 WeakPolarHBondContact O-CG1 3.47Å; V322-I326 PolarHBondContact O-N 3.17Å; V322-I349 HydrophobicContact CB-CD1 4.21Å; V322-I349 HydrophobicContact CB-CG1 4.47Å; V322-I349 HydrophobicContact CG2-CD1 3.96Å
323	L	96.5	Very high	96.4	Very high	60 Å²	60	45.8 Å²	45.8	31%	0.314	22%	0.22	S	C	.	.	H	α-helix	trans	-62.7	-40.1	175.5	-68	175.1	0	0	0	111.9	I122 F300 E319 I326 R327	I122-L323 HydrophobicContact CG1-CD2 4.39Å; I122-L323 HydrophobicContact CG2-CD2 3.77Å; F300-L323 HydrophobicContact CE1-CD2 4.41Å; F300-L323 HydrophobicContact CZ-CD2 4.04Å; E319-L323 HydrophobicContact CG-CD1 3.89Å; E319-L323 HydrophobicContact CG-CG 4.36Å; E319-L323 WeakPolarHBondContact O-CB 3.45Å; E319-L323 VanDerWaalsContact O-CG 3.22Å; E319-L323 WeakPolarHBondContact O-CG 3.46Å; E319-L323 PolarHBondContact O-N 2.96Å; L323-I326 PolarHBondContact O-N 3.2Å; L323-R327 VanDerWaalsContact O-CB 3.3Å; L323-R327 WeakPolarHBondContact O-CB 3.2Å; L323-R327 PolarHBondContact O-N 3.23Å
324	A	96.3	Very high	96.3	Very high	4 Å²	4	40.9 Å²	40.9	3%	0.033	21%	0.21	C	C	.	.	H	α-helix	trans	-64	-41.1	174.5	0	0	0	0	0	112.1	S320 A321 V322 R327 E328	S320-A324 VanDerWaalsContact O-CB 3.24Å; S320-A324 WeakPolarHBondContact O-CB 3.44Å; S320-A324 PolarHBondContact O-N 3.41Å; A321-A324 PolarHBondContact O-N 2.74Å; V322-A324 VanDerWaalsContact C-N 3.34Å; V322-A324 PolarHBondContact O-N 3.22Å; A324-R327 PolarHBondContact O-N 3.23Å; A324-E328 WeakPolarHBondContact O-CG 3.47Å; A324-E328 PolarHBondContact O-N 2.88Å
325	T	96.8	Very high	96	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	22%	0.22	C	C	.	.	H	α-helix	trans	-59.8	-47.2	175.8	-56.4	0	0	0	0	111.1	A321 V322 E328 A329 Y345 E348 I349 Q352	A321-T325 PolarHBondContact O-N 3.49Å; A321-T325 PolarHBondContact O-OG1 3.46Å; V322-T325 WeakPolarHBondContact O-CB 3.27Å; V322-T325 PolarHBondContact O-N 2.99Å; T325-E328 PolarHBondContact O-N 2.89Å; T325-A329 PolarHBondContact O-N 3.27Å; T325-Y345 HydrophobicContact CG2-CD2 4.12Å; T325-Y345 HydrophobicContact CG2-CE2 3.66Å; T325-E348 HydrophobicContact CG2-CB 4.22Å; T325-E348 HydrophobicContact CG2-CG 3.63Å; T325-I349 HydrophobicContact CG2-CG1 4.15Å; T325-Q352 WeakPolarHBondContact OG1-CG 3.22Å
326	I	95.5	Very high	95.7	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-46.2	179.2	-65.2	168.6	0	0	0	110.6	I122 Y125 T296 F300 V322 L323 E328 A329 L332 Y345	I122-I326 HydrophobicContact CD1-CD1 4.18Å; I122-I326 HydrophobicContact CG2-CB 4.13Å; I122-I326 HydrophobicContact CG2-CD1 4.06Å; I122-I326 HydrophobicContact CG2-CG2 3.65Å; Y125-I326 HydrophobicContact CG-CG2 4.5Å; T296-I326 HydrophobicContact CG2-CD1 4.14Å; F300-I326 HydrophobicContact CZ-CD1 4.4Å; V322-I326 HydrophobicContact CG2-CD1 4.07Å; V322-I326 WeakPolarHBondContact O-CG1 3.47Å; V322-I326 PolarHBondContact O-N 3.17Å; L323-I326 PolarHBondContact O-N 3.2Å; I326-E328 PolarHBondContact O-N 3.46Å; I326-A329 PolarHBondContact O-N 2.78Å; I326-A329 VanDerWaalsContact O-N 3.11Å; I326-L332 HydrophobicContact CG1-CD2 4.38Å; I326-Y345 VanDerWaalsContact CG1-OH 3.3Å; I326-Y345 WeakPolarHBondContact CG1-OH 3.42Å
327	R	94.3	Very high	95.4	Very high	124 Å²	124	43.4 Å²	43.4	47%	0.468	24%	0.242	S	C	.	.	H	α-helix	trans	-63.4	-36.6	179.9	-175.9	179.1	64	-177.2	-0.7	113.7	E123 L323 A324 A329	E123-R327 WeakPolarHBondContact OE1-CD 3.16Å; E123-R327 IonicContact OE1-CZ 2.82Å; E123-R327 IonicContact OE1-NE 2.84Å; E123-R327 IonicContact OE1-NH1 2.78Å; E123-R327 PolarHBondContact OE1-NH1 3.48Å; E123-R327 IonicContact OE2-NH1 3.3Å; L323-R327 VanDerWaalsContact O-CB 3.3Å; L323-R327 WeakPolarHBondContact O-CB 3.2Å; L323-R327 PolarHBondContact O-N 3.23Å; A324-R327 PolarHBondContact O-N 3.23Å; R327-A329 PolarHBondContact O-N 3.49Å
328	E	94.5	Very high	95.2	Very high	66 Å²	66	43.4 Å²	43.4	31%	0.308	25%	0.247	S	C	.	.	H	α-helix	trans	-68.8	-22.9	176.4	-79.5	-164.8	-144	0	0	113	A324 T325 I326 K330 R351 Q352	A324-E328 WeakPolarHBondContact O-CG 3.47Å; A324-E328 PolarHBondContact O-N 2.88Å; T325-E328 PolarHBondContact O-N 2.89Å; I326-E328 PolarHBondContact O-N 3.46Å; E328-K330 PolarHBondContact O-N 2.62Å; E328-K330 IonicContact OE2-NZ 3.9Å; E328-K330 PolarHBondContact OE2-NZ 2.82Å; E328-R351 IonicContact OE1-NH2 3.25Å; E328-Q352 PolarHBondContact OE1-NE2 2.89Å
329	A	92.9	Very high	95.1	Very high	58 Å²	58	55.1 Å²	55.1	48%	0.479	29%	0.292	S	S	.	.			trans	54.8	17.4	175.1	0	0	0	0	0	116.3	T325 I326 R327 L332	T325-A329 PolarHBondContact O-N 3.27Å; I326-A329 PolarHBondContact O-N 2.78Å; I326-A329 VanDerWaalsContact O-N 3.11Å; R327-A329 PolarHBondContact O-N 3.49Å; A329-L332 HydrophobicContact CB-CD1 3.89Å
330	K	94.3	Very high	95.1	Very high	144 Å²	144	53 Å²	53	63%	0.626	28%	0.284	S	S	*	.	S	Bend	trans	-85.6	-45.6	179.8	-69.4	172	-167.3	149.8	0	112.8	E328	E328-K330 PolarHBondContact O-N 2.62Å; E328-K330 IonicContact OE2-NZ 3.9Å; E328-K330 PolarHBondContact OE2-NZ 2.82Å
331	Y	96	Very high	95.1	Very high	99 Å²	99	53.2 Å²	53.2	39%	0.388	28%	0.283	S	S	.	.	S	Bend	trans	-114.2	87.6	178.8	-59.6	-85	0	0	0	107.5	S340 Y345 E348	Y331-S340 VanDerWaalsContact CA-OG 3.25Å; Y331-S340 WeakPolarHBondContact CA-OG 3.34Å; Y331-Y345 WeakPolarHBondContact O-CD2 3.4Å; Y331-Y345 WeakPolarHBondContact O-CE2 3.26Å; Y331-E348 HydrophobicContact CD2-CB 3.95Å; Y331-E348 HydrophobicContact CD2-CG 3.6Å; Y331-E348 HydrophobicContact CE2-CG 4.45Å; Y331-E348 HydrophobicContact CG-CB 4Å; Y331-E348 HydrophobicContact CG-CG 4.07Å
332	L	95.5	Very high	95.1	Very high	10 Å²	10	53.3 Å²	53.3	5%	0.052	28%	0.284	C	S	.	.			trans	-123.4	144.6	176.3	-71.2	-176.4	0	0	0	109	I326 A329 L336 G338 R339 S340 Y345	I326-L332 HydrophobicContact CG1-CD2 4.38Å; A329-L332 HydrophobicContact CB-CD1 3.89Å; L332-L336 HydrophobicContact CB-CB 4.02Å; L332-L336 HydrophobicContact CD1-CB 4.26Å; L332-L336 WeakPolarHBondContact CD1-O 3.28Å; L332-L336 HydrophobicContact CD2-CB 4.14Å; L332-L336 HydrophobicContact CD2-CD1 3.9Å; L332-L336 HydrophobicContact CG-CB 4.38Å; L332-G338 CarbonylContact O-C 3.47Å; L332-G338 VanDerWaalsContact O-C 3.28Å; L332-G338 WeakPolarHBondContact O-CA 3.35Å; L332-R339 PolarHBondContact O-N 3.26Å; L332-S340 VanDerWaalsContact O-CB 3.31Å; L332-S340 WeakPolarHBondContact O-CB 3.46Å; L332-S340 PolarHBondContact O-N 3.11Å; L332-Y345 HydrophobicContact CD2-CE2 3.97Å
333	T	95.4	Very high	95.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.3	C	S	.	.			trans	-71.5	168.4	170.4	50.6	0	0	0	0	111	N294 D335 L336 G337 G338 Y345	N294-T333 HydrophobicContact CB-CG2 4.34Å; N294-T333 WeakPolarHBondContact CB-OG1 3.5Å; T333-D335 VanDerWaalsContact C-N 3.35Å; T333-D335 VanDerWaalsContact CB-OD1 3.23Å; T333-D335 WeakPolarHBondContact CB-OD1 3.49Å; T333-D335 PolarHBondContact O-N 3.26Å; T333-D335 PolarHBondContact OG1-OD1 3.25Å; T333-L336 CarbonylContact O-C 3.49Å; T333-L336 PolarHBondContact O-N 3.36Å; T333-L336 VanDerWaalsContact O-N 3.1Å; T333-G337 PolarHBondContact O-N 2.95Å; T333-G338 PolarHBondContact O-N 3.4Å; T333-Y345 HydrophobicContact CG2-CG 4.36Å
334	A	94	Very high	95.3	Very high	61 Å²	61	57.1 Å²	57.1	50%	0.504	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-61.9	-37.8	-172.6	0	0	0	0	0	113.9	L336 G337 G338	A334-L336 VanDerWaalsContact C-N 3.26Å; A334-L336 PolarHBondContact O-N 3.45Å; A334-G337 PolarHBondContact O-N 3.19Å; A334-G338 WeakPolarHBondContact CA-O 3.27Å
335	D	91.3	Very high	95.4	Very high	79 Å²	79	56.9 Å²	56.9	42%	0.422	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-66.8	-25.8	176.2	63.2	-50.1	0	0	0	113.1	N294 T333 G337	N294-D335 WeakPolarHBondContact CB-OD1 3.47Å; N294-D335 VanDerWaalsContact CB-OD2 3.23Å; N294-D335 WeakPolarHBondContact CB-OD2 3.21Å; N294-D335 PolarHBondContact ND2-OD2 3.46Å; T333-D335 VanDerWaalsContact C-N 3.35Å; T333-D335 VanDerWaalsContact CB-OD1 3.23Å; T333-D335 WeakPolarHBondContact CB-OD1 3.49Å; T333-D335 PolarHBondContact O-N 3.26Å; T333-D335 PolarHBondContact OG1-OD1 3.25Å; D335-G337 VanDerWaalsContact C-N 3.31Å
336	L	92.3	Very high	95.4	Very high	9 Å²	9	57 Å²	57	5%	0.047	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-89.4	6.7	172.4	-61.4	-178.4	0	0	0	113	Y125 V264 N294 L332 T333 A334 Y345	Y125-L336 HydrophobicContact CD2-CD2 4.38Å; Y125-L336 HydrophobicContact CE2-CB 4.21Å; Y125-L336 HydrophobicContact CE2-CD2 3.75Å; V264-L336 HydrophobicContact CG1-CD2 3.61Å; N294-L336 WeakPolarHBondContact ND2-CD1 3.42Å; N294-L336 WeakPolarHBondContact ND2-CG 3.32Å; L332-L336 HydrophobicContact CB-CB 4.02Å; L332-L336 HydrophobicContact CD1-CB 4.26Å; L332-L336 WeakPolarHBondContact CD1-O 3.28Å; L332-L336 HydrophobicContact CD2-CB 4.14Å; L332-L336 HydrophobicContact CD2-CD1 3.9Å; L332-L336 HydrophobicContact CG-CB 4.38Å; T333-L336 CarbonylContact O-C 3.49Å; T333-L336 PolarHBondContact O-N 3.36Å; T333-L336 VanDerWaalsContact O-N 3.1Å; A334-L336 VanDerWaalsContact C-N 3.26Å; A334-L336 PolarHBondContact O-N 3.45Å; L336-Y345 HydrophobicContact CD1-CE2 4.45Å
337	G	91.7	Very high	95.6	Very high	74 Å²	74	63.2 Å²	63.2	76%	0.763	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	7.3	179.1	0	0	0	0	0	115.2	T333 A334 D335	T333-G337 PolarHBondContact O-N 2.95Å; A334-G337 PolarHBondContact O-N 3.19Å; D335-G337 VanDerWaalsContact C-N 3.31Å
338	G	94.1	Very high	95.8	Very high	21 Å²	21	57.9 Å²	57.9	22%	0.216	31%	0.312	C	S	.	.			trans	-99.9	-163.5	177.3	0	0	0	0	0	114.5	L332 T333 A334	L332-G338 CarbonylContact O-C 3.47Å; L332-G338 VanDerWaalsContact O-C 3.28Å; L332-G338 WeakPolarHBondContact O-CA 3.35Å; T333-G338 PolarHBondContact O-N 3.4Å; A334-G338 WeakPolarHBondContact CA-O 3.27Å
339	R	95.9	Very high	95.9	Very high	246 Å²	246	54.8 Å²	54.8	93%	0.928	30%	0.297	S	S	*	.			trans	-135	8.8	180	-61	-176.3	-177.5	175.9	0.8	113.4	L332	L332-R339 PolarHBondContact O-N 3.26Å
340	S	97.6	Very high	96.2	Very high	17 Å²	17	52.3 Å²	52.3	12%	0.119	28%	0.276	C	S	.	.			trans	-76.7	149.8	179.9	-64.6	0	0	0	0	111.1	Y331 L332	Y331-S340 VanDerWaalsContact CA-OG 3.25Å; Y331-S340 WeakPolarHBondContact CA-OG 3.34Å; L332-S340 VanDerWaalsContact O-CB 3.31Å; L332-S340 WeakPolarHBondContact O-CB 3.46Å; L332-S340 PolarHBondContact O-N 3.11Å
341	T	97.9	Very high	96.4	Very high	43 Å²	43	49.2 Å²	49.2	26%	0.264	26%	0.261	S	S	.	.			trans	-72.1	163.6	166.8	53.1	0	0	0	0	111.5	D291 S343 Q344 Y345	D291-T341 CarbonylContact O-C 3.58Å; D291-T341 WeakPolarHBondContact O-CA 3.44Å; D291-T341 WeakPolarHBondContact O-CB 3.19Å; D291-T341 VanDerWaalsContact OD2-CB 3.26Å; D291-T341 WeakPolarHBondContact OD2-CB 3.49Å; T341-S343 PolarHBondContact O-N 2.87Å; T341-Q344 PolarHBondContact O-N 3.34Å; T341-Q344 VanDerWaalsContact OG1-CB 3.31Å; T341-Q344 WeakPolarHBondContact OG1-CB 3.27Å; T341-Q344 VanDerWaalsContact OG1-CD 3.31Å; T341-Q344 WeakPolarHBondContact OG1-CG 3.35Å; T341-Q344 PolarHBondContact OG1-N 2.9Å; T341-Q344 VanDerWaalsContact OG1-N 3.11Å; T341-Q344 PolarHBondContact OG1-OE1 3.28Å; T341-Y345 WeakPolarHBondContact O-CB 3.2Å; T341-Y345 PolarHBondContact O-N 2.84Å
342	C	97.8	Very high	96.5	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.02	24%	0.244	C	C	.	.	H	α-helix	trans	-55.2	-44.5	172	-171.4	0	0	0	0	110.5	D291 A293 Y345 T346	D291-C342 PolarHBondContact O-N 2.87Å; D291-C342 VanDerWaalsContact OD1-CB 3.29Å; D291-C342 WeakPolarHBondContact OD1-CB 3.25Å; A293-C342 WeakPolarHBondContact O-CB 3.39Å; A293-C342 PolarHBondContact O-SG 2.89Å; C342-Y345 WeakPolarHBondContact O-CB 3.32Å; C342-Y345 PolarHBondContact O-N 2.81Å; C342-T346 WeakPolarHBondContact O-CB 3.45Å; C342-T346 PolarHBondContact O-N 3.02Å; C342-T346 PolarHBondContact O-OG1 3.29Å
343	S	98.2	Very high	96.6	Very high	48 Å²	48	44.6 Å²	44.6	34%	0.336	24%	0.243	S	C	.	.	H	α-helix	trans	-63.4	-43	177.3	-63.2	0	0	0	0	113.4	D291 T341 T346 K347	D291-S343 VanDerWaalsContact CG-OG 3.28Å; D291-S343 WeakPolarHBondContact OD1-CB 3.36Å; D291-S343 PolarHBondContact OD1-N 3.21Å; D291-S343 PolarHBondContact OD1-OG 3.42Å; D291-S343 WeakPolarHBondContact OD2-CB 3.47Å; D291-S343 PolarHBondContact OD2-OG 3.12Å; T341-S343 PolarHBondContact O-N 2.87Å; S343-T346 PolarHBondContact O-N 3.24Å; S343-K347 WeakPolarHBondContact O-CB 3.48Å; S343-K347 VanDerWaalsContact O-CG 3.29Å; S343-K347 WeakPolarHBondContact O-CG 2.92Å; S343-K347 PolarHBondContact O-N 3Å
344	Q	98.3	Very high	96.6	Very high	91 Å²	91	49.9 Å²	49.9	43%	0.425	27%	0.267	S	S	.	.	H	α-helix	trans	-64.7	-42.3	175.9	-78.2	167.2	-37.8	0	0	111.8	T341 K347 E348	T341-Q344 PolarHBondContact O-N 3.34Å; T341-Q344 VanDerWaalsContact OG1-CB 3.31Å; T341-Q344 WeakPolarHBondContact OG1-CB 3.27Å; T341-Q344 VanDerWaalsContact OG1-CD 3.31Å; T341-Q344 WeakPolarHBondContact OG1-CG 3.35Å; T341-Q344 PolarHBondContact OG1-N 2.9Å; T341-Q344 VanDerWaalsContact OG1-N 3.11Å; T341-Q344 PolarHBondContact OG1-OE1 3.28Å; Q344-K347 PolarHBondContact O-N 3.41Å; Q344-E348 PolarHBondContact O-N 2.96Å
345	Y	98.3	Very high	96.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.8	-47.7	176	-174	-108.7	0	0	0	111.6	P295 T296 T325 I326 Y331 L332 T333 L336 T341 C342 K347 E348 I349	P295-Y345 HydrophobicContact CG-CD1 3.76Å; P295-Y345 HydrophobicContact CG-CE1 4.13Å; T296-Y345 WeakPolarHBondContact OG1-CE1 3.48Å; T296-Y345 PolarHBondContact OG1-OH 3.46Å; T296-Y345 VanDerWaalsContact OG1-OH 3.08Å; T325-Y345 HydrophobicContact CG2-CD2 4.12Å; T325-Y345 HydrophobicContact CG2-CE2 3.66Å; I326-Y345 VanDerWaalsContact CG1-OH 3.3Å; I326-Y345 WeakPolarHBondContact CG1-OH 3.42Å; Y331-Y345 WeakPolarHBondContact O-CD2 3.4Å; Y331-Y345 WeakPolarHBondContact O-CE2 3.26Å; L332-Y345 HydrophobicContact CD2-CE2 3.97Å; T333-Y345 HydrophobicContact CG2-CG 4.36Å; L336-Y345 HydrophobicContact CD1-CE2 4.45Å; T341-Y345 WeakPolarHBondContact O-CB 3.2Å; T341-Y345 PolarHBondContact O-N 2.84Å; C342-Y345 WeakPolarHBondContact O-CB 3.32Å; C342-Y345 PolarHBondContact O-N 2.81Å; Y345-K347 PolarHBondContact O-N 3.49Å; Y345-E348 PolarHBondContact O-N 3.27Å; Y345-I349 HydrophobicContact CD1-CD1 3.86Å; Y345-I349 HydrophobicContact CE1-CD1 3.45Å; Y345-I349 VanDerWaalsContact CE1-CD1 3.45Å; Y345-I349 HydrophobicContact CE1-CG1 4.45Å; Y345-I349 WeakPolarHBondContact O-CG1 3.47Å; Y345-I349 PolarHBondContact O-N 3.21Å; Y345-I349 VanDerWaalsContact O-N 3.09Å
346	T	98.5	Very high	96.6	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-60.1	-46.4	178.5	-57.6	0	0	0	0	111.6	A41 E44 I45 C342 S343 E348 I349 C350	A41-T346 HydrophobicContact CB-CG2 4.03Å; A41-T346 VanDerWaalsContact CB-OG1 3.28Å; A41-T346 WeakPolarHBondContact CB-OG1 3.41Å; E44-T346 HydrophobicContact CB-CG2 4.22Å; E44-T346 HydrophobicContact CG-CG2 4.32Å; I45-T346 HydrophobicContact CD1-CG2 4.02Å; I45-T346 HydrophobicContact CG1-CG2 3.79Å; C342-T346 WeakPolarHBondContact O-CB 3.45Å; C342-T346 PolarHBondContact O-N 3.02Å; C342-T346 PolarHBondContact O-OG1 3.29Å; S343-T346 PolarHBondContact O-N 3.24Å; T346-E348 VanDerWaalsContact C-N 3.33Å; T346-E348 PolarHBondContact O-N 2.74Å; T346-I349 PolarHBondContact O-N 3.06Å; T346-C350 PolarHBondContact O-N 3.48Å; T346-C350 PolarHBondContact O-SG 3.41Å; T346-C350 VanDerWaalsContact O-SG 3.41Å
347	K	98.3	Very high	96.5	Very high	133 Å²	133	52.2 Å²	52.2	58%	0.578	27%	0.273	S	S	*	.	H	α-helix	trans	-62.4	-38.7	177.2	-74.9	173.5	-177.2	175.8	0	112.8	S343 Q344 Y345 I349 C350 R351	S343-K347 WeakPolarHBondContact O-CB 3.48Å; S343-K347 VanDerWaalsContact O-CG 3.29Å; S343-K347 WeakPolarHBondContact O-CG 2.92Å; S343-K347 PolarHBondContact O-N 3Å; Q344-K347 PolarHBondContact O-N 3.41Å; Y345-K347 PolarHBondContact O-N 3.49Å; K347-I349 VanDerWaalsContact C-N 3.35Å; K347-C350 WeakPolarHBondContact O-CB 3.49Å; K347-C350 PolarHBondContact O-N 2.61Å; K347-R351 PolarHBondContact O-N 2.71Å
348	E	98.3	Very high	96	Very high	12 Å²	12	52.9 Å²	52.9	6%	0.056	27%	0.266	C	S	.	.	H	α-helix	trans	-65.1	-39.8	176.3	177.7	60.9	-166.7	0	0	111.5	T325 Y331 Q344 Y345 T346 C350 R351 Q352	T325-E348 HydrophobicContact CG2-CB 4.22Å; T325-E348 HydrophobicContact CG2-CG 3.63Å; Y331-E348 HydrophobicContact CD2-CB 3.95Å; Y331-E348 HydrophobicContact CD2-CG 3.6Å; Y331-E348 HydrophobicContact CE2-CG 4.45Å; Y331-E348 HydrophobicContact CG-CB 4Å; Y331-E348 HydrophobicContact CG-CG 4.07Å; Q344-E348 PolarHBondContact O-N 2.96Å; Y345-E348 PolarHBondContact O-N 3.27Å; T346-E348 VanDerWaalsContact C-N 3.33Å; T346-E348 PolarHBondContact O-N 2.74Å; E348-C350 PolarHBondContact O-N 3.38Å; E348-R351 WeakPolarHBondContact O-CB 3.19Å; E348-R351 PolarHBondContact O-N 3.14Å; E348-R351 IonicContact OE1-CZ 3.52Å; E348-R351 IonicContact OE1-NE 3.67Å; E348-R351 PolarHBondContact OE1-NE 3.14Å; E348-R351 IonicContact OE1-NH2 2.79Å; E348-R351 PolarHBondContact OE1-NH2 3.02Å; E348-R351 IonicContact OE2-CZ 2.7Å; E348-R351 IonicContact OE2-NE 3.74Å; E348-R351 PolarHBondContact OE2-NE 3.24Å; E348-R351 IonicContact OE2-NH2 3.33Å; E348-Q352 WeakPolarHBondContact O-CG 3.45Å; E348-Q352 PolarHBondContact O-N 3.01Å; E348-Q352 PolarHBondContact OE1-NE2 2.92Å
349	I	98.4	Very high	95.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.7	-45.3	173.3	-65.4	169.5	0	0	0	110.6	I45 L299 A321 V322 T325 Y345 T346 K347 R351 Q352 I353	I45-I349 HydrophobicContact CD1-CB 4.24Å; I45-I349 HydrophobicContact CD1-CD1 3.99Å; I45-I349 HydrophobicContact CD1-CG2 4.02Å; I45-I349 HydrophobicContact CG1-CG2 4.2Å; I45-I349 HydrophobicContact CG2-CG2 4.18Å; L299-I349 HydrophobicContact CD2-CD1 3.92Å; A321-I349 HydrophobicContact CB-CG2 4.31Å; V322-I349 HydrophobicContact CB-CD1 4.21Å; V322-I349 HydrophobicContact CB-CG1 4.47Å; V322-I349 HydrophobicContact CG2-CD1 3.96Å; T325-I349 HydrophobicContact CG2-CG1 4.15Å; Y345-I349 HydrophobicContact CD1-CD1 3.86Å; Y345-I349 HydrophobicContact CE1-CD1 3.45Å; Y345-I349 VanDerWaalsContact CE1-CD1 3.45Å; Y345-I349 HydrophobicContact CE1-CG1 4.45Å; Y345-I349 WeakPolarHBondContact O-CG1 3.47Å; Y345-I349 PolarHBondContact O-N 3.21Å; Y345-I349 VanDerWaalsContact O-N 3.09Å; T346-I349 PolarHBondContact O-N 3.06Å; K347-I349 VanDerWaalsContact C-N 3.35Å; I349-R351 VanDerWaalsContact C-N 3.32Å; I349-R351 PolarHBondContact O-N 3.4Å; I349-Q352 WeakPolarHBondContact O-CB 3.33Å; I349-Q352 PolarHBondContact O-N 3.44Å; I349-Q352 VanDerWaalsContact O-N 3.15Å; I349-I353 HydrophobicContact CG2-CD1 4.01Å; I349-I353 WeakPolarHBondContact O-CG1 3.21Å; I349-I353 PolarHBondContact O-N 2.83Å
350	C	98.3	Very high	93.3	Very high	7 Å²	7	56.8 Å²	56.8	5%	0.047	29%	0.285	C	S	.	.	H	α-helix	trans	-57.9	-43.9	175	-66.4	0	0	0	0	111.7	F48 T346 K347 E348 Q352 I353 E354	F48-C350 HydrophobicContact CB-CB 4.34Å; F48-C350 HydrophobicContact CD1-CB 3.78Å; F48-C350 HydrophobicContact CD2-CB 3.94Å; F48-C350 HydrophobicContact CE1-CB 4.04Å; F48-C350 WeakPolarHBondContact CE1-O 3.46Å; F48-C350 HydrophobicContact CE2-CB 4.17Å; F48-C350 HydrophobicContact CG-CB 3.73Å; F48-C350 HydrophobicContact CZ-CB 4.22Å; T346-C350 PolarHBondContact O-N 3.48Å; T346-C350 PolarHBondContact O-SG 3.41Å; T346-C350 VanDerWaalsContact O-SG 3.41Å; K347-C350 WeakPolarHBondContact O-CB 3.49Å; K347-C350 PolarHBondContact O-N 2.61Å; E348-C350 PolarHBondContact O-N 3.38Å; C350-Q352 VanDerWaalsContact C-N 3.32Å; C350-Q352 PolarHBondContact O-N 3.25Å; C350-I353 WeakPolarHBondContact O-CB 3.37Å; C350-I353 PolarHBondContact O-N 2.96Å; C350-I353 VanDerWaalsContact O-N 3.12Å; C350-E354 PolarHBondContact O-N 3.45Å
351	R	97.9	Very high	93.1	Very high	79 Å²	79	58.8 Å²	58.8	30%	0.298	29%	0.293	S	S	.	.	H	α-helix	trans	-59	-42	174.8	-166.1	-167	69.8	70.3	0.4	112.1	E328 K347 E348 I349 I353 E354 Q355	E328-R351 IonicContact OE1-NH2 3.25Å; K347-R351 PolarHBondContact O-N 2.71Å; E348-R351 WeakPolarHBondContact O-CB 3.19Å; E348-R351 PolarHBondContact O-N 3.14Å; E348-R351 IonicContact OE1-CZ 3.52Å; E348-R351 IonicContact OE1-NE 3.67Å; E348-R351 PolarHBondContact OE1-NE 3.14Å; E348-R351 IonicContact OE1-NH2 2.79Å; E348-R351 PolarHBondContact OE1-NH2 3.02Å; E348-R351 IonicContact OE2-CZ 2.7Å; E348-R351 IonicContact OE2-NE 3.74Å; E348-R351 PolarHBondContact OE2-NE 3.24Å; E348-R351 IonicContact OE2-NH2 3.33Å; I349-R351 VanDerWaalsContact C-N 3.32Å; I349-R351 PolarHBondContact O-N 3.4Å; R351-I353 VanDerWaalsContact C-N 3.33Å; R351-E354 PolarHBondContact O-N 3.43Å; R351-Q355 WeakPolarHBondContact O-CG 3.23Å; R351-Q355 PolarHBondContact O-N 2.9Å; R351-Q355 VanDerWaalsContact O-N 3.13Å
352	Q	97.6	Very high	92.9	Very high	8 Å²	8	59.6 Å²	59.6	4%	0.037	30%	0.295	C	S	.	.	H	α-helix	trans	-65.9	-34.9	176.1	-68.8	-75	-13.6	0	0	112.3	A321 T325 E328 E348 I349 C350 K356	A321-Q352 HydrophobicContact CB-CB 3.73Å; T325-Q352 WeakPolarHBondContact OG1-CG 3.22Å; E328-Q352 PolarHBondContact OE1-NE2 2.89Å; E348-Q352 WeakPolarHBondContact O-CG 3.45Å; E348-Q352 PolarHBondContact O-N 3.01Å; E348-Q352 PolarHBondContact OE1-NE2 2.92Å; I349-Q352 WeakPolarHBondContact O-CB 3.33Å; I349-Q352 PolarHBondContact O-N 3.44Å; I349-Q352 VanDerWaalsContact O-N 3.15Å; C350-Q352 VanDerWaalsContact C-N 3.32Å; C350-Q352 PolarHBondContact O-N 3.25Å; Q352-K356 WeakPolarHBondContact O-CB 3.4Å; Q352-K356 VanDerWaalsContact O-CG 3.26Å; Q352-K356 WeakPolarHBondContact O-CG 3.46Å; Q352-K356 PolarHBondContact O-N 3.17Å; Q352-K356 VanDerWaalsContact O-N 3.09Å
353	I	97.6	Very high	92.6	Very high	4 Å²	4	62.8 Å²	62.8	2%	0.021	31%	0.31	C	S	.	.	H	α-helix	trans	-62.9	-48.1	173.8	-69.8	165.4	0	0	0	110.3	I45 F48 A49 L317 I318 A321 I349 C350 R351 Q355 K356 A357	I45-I353 HydrophobicContact CG2-CD1 3.73Å; F48-I353 HydrophobicContact CD1-CB 4.16Å; F48-I353 HydrophobicContact CD1-CG2 3.98Å; F48-I353 HydrophobicContact CE1-CB 4.25Å; F48-I353 HydrophobicContact CE1-CG2 4.19Å; A49-I353 HydrophobicContact CB-CD1 4.26Å; A49-I353 HydrophobicContact CB-CG2 4.22Å; L317-I353 HydrophobicContact CD1-CG2 4.35Å; L317-I353 HydrophobicContact CD2-CG2 3.96Å; L317-I353 HydrophobicContact CG-CG2 4.08Å; I318-I353 HydrophobicContact CG1-CD1 4.21Å; A321-I353 HydrophobicContact CB-CB 4.45Å; A321-I353 HydrophobicContact CB-CD1 4.39Å; A321-I353 HydrophobicContact CB-CG1 3.44Å; A321-I353 VanDerWaalsContact CB-CG1 3.44Å; I349-I353 HydrophobicContact CG2-CD1 4.01Å; I349-I353 WeakPolarHBondContact O-CG1 3.21Å; I349-I353 PolarHBondContact O-N 2.83Å; C350-I353 WeakPolarHBondContact O-CB 3.37Å; C350-I353 PolarHBondContact O-N 2.96Å; C350-I353 VanDerWaalsContact O-N 3.12Å; R351-I353 VanDerWaalsContact C-N 3.33Å; I353-Q355 VanDerWaalsContact C-N 3.35Å; I353-Q355 PolarHBondContact O-N 3.38Å; I353-K356 PolarHBondContact O-N 2.75Å; I353-A357 WeakPolarHBondContact O-CB 3.37Å; I353-A357 PolarHBondContact O-N 2.99Å
354	E	96.3	Very high	92.3	Very high	111 Å²	111	63.6 Å²	63.6	52%	0.519	31%	0.308	S	S	.	.	H	α-helix	trans	-58	-45.5	178.6	-174.7	176.6	-143.2	0	0	112	F48 C350 R351 K356 A357 S358	F48-E354 HydrophobicContact CE1-CB 3.98Å; F48-E354 HydrophobicContact CZ-CB 4.01Å; C350-E354 PolarHBondContact O-N 3.45Å; R351-E354 PolarHBondContact O-N 3.43Å; E354-K356 VanDerWaalsContact C-N 3.34Å; E354-K356 PolarHBondContact O-N 3.33Å; E354-A357 PolarHBondContact O-N 3.23Å; E354-S358 WeakPolarHBondContact O-CB 3.12Å; E354-S358 PolarHBondContact O-N 3.26Å; E354-S358 PolarHBondContact O-OG 2.89Å
355	Q	94.5	Very high	91.9	Very high	89 Å²	89	61.9 Å²	61.9	42%	0.416	30%	0.301	S	S	.	.	H	α-helix	trans	-62.8	-39.7	177.6	-72.3	-169.2	-35.3	0	0	112.7	R351 I353 N359	R351-Q355 WeakPolarHBondContact O-CG 3.23Å; R351-Q355 PolarHBondContact O-N 2.9Å; R351-Q355 VanDerWaalsContact O-N 3.13Å; I353-Q355 VanDerWaalsContact C-N 3.35Å; I353-Q355 PolarHBondContact O-N 3.38Å; Q355-N359 VanDerWaalsContact O-CG 3.28Å; Q355-N359 PolarHBondContact O-N 3.47Å; Q355-N359 PolarHBondContact O-ND2 2.71Å
356	K	91.9	Very high	91.5	Very high	57 Å²	57	66.1 Å²	66.1	25%	0.248	32%	0.321	C	S	.	.	H	α-helix	trans	-77.1	-31.3	-179.5	-71.5	173.4	-175.5	-73.8	0	112.9	L317 S320 A321 Q352 I353 E354 S358	L317-K356 HydrophobicContact CD1-CB 3.8Å; S320-K356 VanDerWaalsContact C-CE 3.5Å; S320-K356 WeakPolarHBondContact O-CE 3.31Å; S320-K356 PolarHBondContact O-NZ 3.05Å; S320-K356 WeakPolarHBondContact OG-CD 3.36Å; A321-K356 HydrophobicContact CB-CD 4.28Å; Q352-K356 WeakPolarHBondContact O-CB 3.4Å; Q352-K356 VanDerWaalsContact O-CG 3.26Å; Q352-K356 WeakPolarHBondContact O-CG 3.46Å; Q352-K356 PolarHBondContact O-N 3.17Å; Q352-K356 VanDerWaalsContact O-N 3.09Å; I353-K356 PolarHBondContact O-N 2.75Å; E354-K356 VanDerWaalsContact C-N 3.34Å; E354-K356 PolarHBondContact O-N 3.33Å; K356-S358 VanDerWaalsContact C-N 3.35Å
357	A	88.3	Confident	91	Very high	51 Å²	51	70.6 Å²	70.6	42%	0.421	34%	0.343	S	S	.	.	H	α-helix	trans	-67.6	-37.6	172.5	0	0	0	0	0	111.3	I353 E354 N359 R360	I353-A357 WeakPolarHBondContact O-CB 3.37Å; I353-A357 PolarHBondContact O-N 2.99Å; E354-A357 PolarHBondContact O-N 3.23Å; A357-N359 VanDerWaalsContact C-N 3.33Å; A357-N359 PolarHBondContact O-N 3.12Å; A357-R360 PolarHBondContact O-N 3.44Å
358	S	82	Confident	90.4	Very high	88 Å²	88	65.8 Å²	65.8	62%	0.615	33%	0.325	S	S	*	.	H	α-helix	trans	-72	-23	178.7	-56.7	0	0	0	0	114.2	E354 K356	E354-S358 WeakPolarHBondContact O-CB 3.12Å; E354-S358 PolarHBondContact O-N 3.26Å; E354-S358 PolarHBondContact O-OG 2.89Å; K356-S358 VanDerWaalsContact C-N 3.35Å
359	N	75	Confident	89.8	Confident	143 Å²	143	70.3 Å²	70.3	77%	0.765	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	1.2	179.8	-71.9	-23.8	0	0	0	113.8	Q355 A357	Q355-N359 VanDerWaalsContact O-CG 3.28Å; Q355-N359 PolarHBondContact O-N 3.47Å; Q355-N359 PolarHBondContact O-ND2 2.71Å; A357-N359 VanDerWaalsContact C-N 3.33Å; A357-N359 PolarHBondContact O-N 3.12Å
360	R	59.5	Low	89	Confident	207 Å²	207	76.7 Å²	76.7	78%	0.781	38%	0.379	S	S	*	.			trans	-102.7	0	174.2	-78.2	-176.2	172.1	177.4	-0.1	110.1	A357	A357-R360 PolarHBondContact O-N 3.44Å

Retrieved 360 of 360 residues in 125.9 ms (Link to these results)

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