A0A087XI76_POEFO Loading...

2-oxoglutarate and iron-dependent oxygenase domain containing 2

AlphaFold DB , UniProt , Accession A0A087XI76, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 350 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	34.5	Very low	53.7	Low	244 Å²	244	138.2 Å²	138.2	100%	1.202	72%	0.715	S	S	*	*				0	86.5	0	-75.4	169	149.2	0	0	106.5
2	T	31.1	Very low	57.2	Low	137 Å²	137	128 Å²	128	84%	0.84	66%	0.66	S	S	*	*			trans	-78.1	126.6	-178	37.1	0	0	0	0	108.8	E4	T2-E4 PolarHBondContact O-N 2.93Å
3	N	33.8	Very low	60.2	Low	157 Å²	157	119.2 Å²	119.2	84%	0.84	62%	0.616	S	S	*	*			trans	-37.7	117.2	172.1	-74.5	-17.3	0	0	0	111.2	G5	N3-G5 PolarHBondContact O-N 3.47Å
4	E	34.7	Very low	62.8	Low	200 Å²	200	111 Å²	111	94%	0.935	57%	0.574	S	S	*	*			trans	-65	89.2	153.8	-72.5	-164.8	154.5	0	0	106	T2 D6	T2-E4 PolarHBondContact O-N 2.93Å; E4-D6 PolarHBondContact O-N 3.02Å
5	G	36.4	Very low	65	Low	56 Å²	56	106.3 Å²	106.3	58%	0.577	55%	0.554	S	S	*	*			trans	-56.8	123.8	172.1	0	0	0	0	0	108.2	N3 K7	N3-G5 PolarHBondContact O-N 3.47Å; G5-K7 VanDerWaalsContact C-N 3.34Å; G5-K7 PolarHBondContact O-N 3.17Å
6	D	39	Very low	67	Low	160 Å²	160	99.9 Å²	99.9	86%	0.856	52%	0.521	S	S	*	.			trans	-46.7	96.2	172.8	-151.7	3	0	0	0	108.9	E4 K8	E4-D6 PolarHBondContact O-N 3.02Å; D6-K8 VanDerWaalsContact C-N 3.3Å; D6-K8 PolarHBondContact O-N 3.06Å
7	K	48.3	Very low	68.6	Low	193 Å²	193	95.8 Å²	95.8	84%	0.839	50%	0.499	S	S	*	.			trans	-71.1	94.8	177.7	-90.6	-178.1	177.2	174.1	0	105.6	G5 S9	G5-K7 VanDerWaalsContact C-N 3.34Å; G5-K7 PolarHBondContact O-N 3.17Å; K7-S9 PolarHBondContact O-N 3.13Å
8	K	64.7	Low	70.1	Confident	156 Å²	156	91.6 Å²	91.6	68%	0.678	48%	0.478	S	S	*	.			trans	-42.4	121.2	166.3	-89.2	-168.6	172.9	-171.4	0	107.2	D6 R10 E186	D6-K8 VanDerWaalsContact C-N 3.3Å; D6-K8 PolarHBondContact O-N 3.06Å; K8-R10 PolarHBondContact O-N 3.3Å; K8-E186 IonicContact NZ-OE1 3.55Å; K8-E186 PolarHBondContact NZ-OE1 2.9Å; K8-E186 VanDerWaalsContact NZ-OE1 3.13Å; K8-E186 IonicContact NZ-OE2 2.8Å; K8-E186 PolarHBondContact NZ-OE2 2.93Å
9	S	80.1	Confident	71.4	Confident	82 Å²	82	88.4 Å²	88.4	57%	0.573	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-57.1	131	-178.4	-74.7	0	0	0	0	109.1	K7 F11	K7-S9 PolarHBondContact O-N 3.13Å; S9-F11 WeakPolarHBondContact O-CD2 3.43Å; S9-F11 WeakPolarHBondContact O-CE2 3.43Å
10	R	92.6	Very high	72.6	Confident	117 Å²	117	85 Å²	85	44%	0.442	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-79.1	129.7	176.4	-170.9	168.8	-173.6	-164	-0.7	109.1	K8 Y12 E327	K8-R10 PolarHBondContact O-N 3.3Å; R10-Y12 HydrophobicContact CB-CE2 4.11Å; R10-Y12 HydrophobicContact CG-CE2 4.12Å; R10-Y12 WeakPolarHBondContact O-CD2 3.37Å; R10-Y12 WeakPolarHBondContact O-CE2 3.17Å; R10-E327 VanDerWaalsContact CZ-CD 3.41Å; R10-E327 IonicContact CZ-OE1 3.34Å; R10-E327 IonicContact CZ-OE2 3.78Å; R10-E327 IonicContact NH1-OE1 2.72Å; R10-E327 PolarHBondContact NH1-OE1 3.3Å; R10-E327 IonicContact NH1-OE2 2.76Å; R10-E327 PolarHBondContact NH1-OE2 3.06Å; R10-E327 IonicContact NH2-OE1 3.13Å; R10-E327 PolarHBondContact NH2-OE1 3.31Å; R10-E327 IonicContact NH2-OE2 3.46Å; R10-E327 PolarHBondContact NH2-OE2 2.98Å
11	F	95.4	Very high	73.6	Confident	18 Å²	18	83.1 Å²	83.1	8%	0.079	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	156.8	176.6	-65.8	-88.3	0	0	0	112.2	S9 D214 F331 A332 F335 T336	S9-F11 WeakPolarHBondContact O-CD2 3.43Å; S9-F11 WeakPolarHBondContact O-CE2 3.43Å; F11-D214 VanDerWaalsContact CZ-O 3.31Å; F11-D214 WeakPolarHBondContact CZ-O 3.39Å; F11-F331 WeakPolarHBondContact CB-O 3.43Å; F11-F331 AromaticContact CD2-CD1 3.61Å; F11-F331 HydrophobicContact CD2-CD1 3.61Å; F11-F331 HydrophobicContact CD2-CE1 4.18Å; F11-F331 HydrophobicContact CE1-CD1 4.37Å; F11-F331 AromaticContact CE2-CD1 3.4Å; F11-F331 HydrophobicContact CE2-CD1 3.4Å; F11-F331 VanDerWaalsContact CE2-CD1 3.4Å; F11-F331 AromaticContact CE2-CE1 3.57Å; F11-F331 HydrophobicContact CE2-CE1 3.57Å; F11-F331 HydrophobicContact CG-CD1 4.19Å; F11-F331 AromaticContact CZ-CD1 3.81Å; F11-F331 HydrophobicContact CZ-CD1 3.81Å; F11-F331 AromaticContact CZ-CE1 3.99Å; F11-F331 HydrophobicContact CZ-CE1 3.99Å; F11-A332 HydrophobicContact CB-CB 4.29Å; F11-F335 CarbonylContact C-O 3.4Å; F11-F335 WeakPolarHBondContact CA-O 3.26Å; F11-T336 HydrophobicContact CD1-CG2 3.67Å; F11-T336 HydrophobicContact CE1-CG2 3.6Å; F11-T336 HydrophobicContact CG-CG2 4.44Å; F11-T336 HydrophobicContact CZ-CG2 4.3Å
12	Y	96.3	Very high	76.4	Confident	16 Å²	16	71.6 Å²	71.6	6%	0.063	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	165.3	-172.6	-63.4	-92.4	0	0	0	110.5	R10 L325 M326 E327 A332 D333 F335 K337	R10-Y12 HydrophobicContact CB-CE2 4.11Å; R10-Y12 HydrophobicContact CG-CE2 4.12Å; R10-Y12 WeakPolarHBondContact O-CD2 3.37Å; R10-Y12 WeakPolarHBondContact O-CE2 3.17Å; Y12-L325 HydrophobicContact CD1-CB 4.09Å; Y12-L325 HydrophobicContact CD2-CD1 4.35Å; Y12-L325 HydrophobicContact CG-CB 4.07Å; Y12-L325 HydrophobicContact CG-CD1 4.33Å; Y12-M326 WeakPolarHBondContact CA-O 3.29Å; Y12-M326 WeakPolarHBondContact CB-O 3.45Å; Y12-M326 WeakPolarHBondContact CD1-O 3.32Å; Y12-E327 HydrophobicContact CE1-CG 4.11Å; Y12-A332 WeakPolarHBondContact O-CB 3.44Å; Y12-D333 PolarHBondContact O-N 3.32Å; Y12-F335 PolarHBondContact N-O 3.47Å; Y12-F335 WeakPolarHBondContact O-CD2 3.37Å; Y12-F335 PolarHBondContact O-N 2.75Å; Y12-K337 HydrophobicContact CD2-CG 4.34Å; Y12-K337 HydrophobicContact CE1-CD 4.4Å; Y12-K337 HydrophobicContact CE2-CB 4.3Å; Y12-K337 HydrophobicContact CE2-CD 4.1Å; Y12-K337 HydrophobicContact CE2-CG 3.7Å; Y12-K337 WeakPolarHBondContact OH-CD 3.45Å; Y12-K337 WeakPolarHBondContact OH-CE 3.08Å
13	T	95.9	Very high	79.4	Confident	14 Å²	14	69.5 Å²	69.5	9%	0.086	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	147.4	168.1	-82.2	0	0	0	0	109.7	F17 M326 D333	T13-F17 HydrophobicContact CG2-CB 3.48Å; T13-F17 VanDerWaalsContact CG2-CB 3.48Å; T13-F17 HydrophobicContact CG2-CD1 4.19Å; T13-F17 HydrophobicContact CG2-CG 3.9Å; T13-M326 PolarHBondContact N-O 3.35Å; T13-M326 PolarHBondContact O-N 3.2Å; T13-D333 WeakPolarHBondContact CB-OD2 3.2Å; T13-D333 WeakPolarHBondContact CG2-OD2 3.4Å; T13-D333 PolarHBondContact OG1-N 3.36Å; T13-D333 PolarHBondContact OG1-OD2 3.18Å
14	C	96.8	Very high	82.3	Confident	4 Å²	4	62.3 Å²	62.3	3%	0.027	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	136.2	171.5	-175.5	0	0	0	0	110.3	C16 F17 C316 P323 S324 F335	C14-C16 PolarHBondContact O-N 3.08Å; C14-C16 PolarHBondContact SG-SG 2.92Å; C14-F17 VanDerWaalsContact O-CB 3.24Å; C14-F17 WeakPolarHBondContact O-CB 3.26Å; C14-F17 PolarHBondContact O-N 3.19Å; C14-C316 HydrophobicContact CB-CB 4.42Å; C14-P323 HydrophobicContact CB-CB 4.14Å; C14-S324 CarbonylContact C-O 3.44Å; C14-S324 WeakPolarHBondContact CA-O 3.48Å; C14-F335 HydrophobicContact CB-CE1 4.47Å; C14-F335 HydrophobicContact CB-CE2 3.91Å; C14-F335 HydrophobicContact CB-CZ 3.87Å
15	S	95.9	Very high	84.9	Confident	40 Å²	40	57 Å²	57	28%	0.28	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-57.1	-25.2	-179.3	73.1	0	0	0	0	113.8	F17 T18 S324 M326	S15-F17 PolarHBondContact O-N 3.13Å; S15-F17 VanDerWaalsContact O-N 3.12Å; S15-T18 PolarHBondContact O-N 2.99Å; S15-T18 PolarHBondContact O-OG1 3.18Å; S15-T18 VanDerWaalsContact O-OG1 3.13Å; S15-S324 PolarHBondContact N-O 3.03Å; S15-S324 WeakPolarHBondContact OG-CB 3.49Å; S15-M326 VanDerWaalsContact CB-SD 3.57Å
16	C	96.3	Very high	87.5	Confident	4 Å²	4	58.8 Å²	58.8	3%	0.027	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-59.4	-20.8	174.4	78.9	0	0	0	0	113.2	C14 T18 T19 D20 C319	C14-C16 PolarHBondContact O-N 3.08Å; C14-C16 PolarHBondContact SG-SG 2.92Å; C16-T18 PolarHBondContact O-N 3.31Å; C16-T18 VanDerWaalsContact O-N 3.15Å; C16-T19 WeakPolarHBondContact CA-OG1 3.5Å; C16-T19 PolarHBondContact O-N 2.89Å; C16-T19 PolarHBondContact O-OG1 3.29Å; C16-D20 HydrophobicContact CB-CB 4.1Å; C16-D20 PolarHBondContact O-N 3.43Å; C16-C319 HydrophobicContact CB-CB 3.71Å
17	F	95.3	Very high	90.1	Very high	31 Å²	31	52.7 Å²	52.7	14%	0.136	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-53.2	-37.1	177.3	179.1	-107.8	0	0	0	111.9	T13 C14 S15 R72 I75 M318	T13-F17 HydrophobicContact CG2-CB 3.48Å; T13-F17 VanDerWaalsContact CG2-CB 3.48Å; T13-F17 HydrophobicContact CG2-CD1 4.19Å; T13-F17 HydrophobicContact CG2-CG 3.9Å; C14-F17 VanDerWaalsContact O-CB 3.24Å; C14-F17 WeakPolarHBondContact O-CB 3.26Å; C14-F17 PolarHBondContact O-N 3.19Å; S15-F17 PolarHBondContact O-N 3.13Å; S15-F17 VanDerWaalsContact O-N 3.12Å; F17-R72 HydrophobicContact CD1-CB 4Å; F17-R72 HydrophobicContact CD1-CG 4.45Å; F17-R72 HydrophobicContact CE1-CB 3.5Å; F17-R72 VanDerWaalsContact CE1-CB 3.5Å; F17-R72 HydrophobicContact CE1-CG 3.79Å; F17-R72 WeakPolarHBondContact CE1-O 3.31Å; F17-R72 HydrophobicContact CZ-CB 4.06Å; F17-R72 HydrophobicContact CZ-CG 3.81Å; F17-R72 WeakPolarHBondContact O-CD 3.2Å; F17-R72 PolarHBondContact O-NH1 3.45Å; F17-I75 HydrophobicContact CE1-CD1 4.39Å; F17-I75 HydrophobicContact CE1-CG2 3.92Å; F17-I75 HydrophobicContact CZ-CD1 3.86Å; F17-I75 HydrophobicContact CZ-CG2 4.41Å; F17-M318 HydrophobicContact CD2-CE 3.91Å
18	T	95	Very high	92.1	Very high	20 Å²	20	50.2 Å²	50.2	12%	0.123	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-89.7	-3.4	-178.8	61.2	0	0	0	0	114.5	S15 C16 R72 R73 M326	S15-T18 PolarHBondContact O-N 2.99Å; S15-T18 PolarHBondContact O-OG1 3.18Å; S15-T18 VanDerWaalsContact O-OG1 3.13Å; C16-T18 PolarHBondContact O-N 3.31Å; C16-T18 VanDerWaalsContact O-N 3.15Å; T18-R72 HydrophobicContact CG2-CB 4.39Å; T18-R73 HydrophobicContact CG2-CG 3.88Å; T18-M326 HydrophobicContact CG2-CE 4.29Å
19	T	95.6	Very high	93.5	Very high	31 Å²	31	44.4 Å²	44.4	19%	0.19	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-31.2	-173	55.1	0	0	0	0	114.2	C16 R32 F33 V34	C16-T19 WeakPolarHBondContact CA-OG1 3.5Å; C16-T19 PolarHBondContact O-N 2.89Å; C16-T19 PolarHBondContact O-OG1 3.29Å; T19-R32 CarbonylContact O-C 3.56Å; T19-R32 WeakPolarHBondContact O-CA 3.48Å; T19-R32 WeakPolarHBondContact O-CG 3.39Å; T19-F33 WeakPolarHBondContact CA-O 3.49Å; T19-F33 WeakPolarHBondContact CB-O 3.37Å; T19-F33 WeakPolarHBondContact CG2-O 3.45Å; T19-F33 PolarHBondContact O-N 3.18Å; T19-V34 HydrophobicContact CG2-CG2 4.42Å
20	D	95.4	Very high	94.1	Very high	19 Å²	19	45.1 Å²	45.1	10%	0.102	22%	0.219	C	C	.	.	S	Bend	trans	-111.2	161.9	-170.8	-62.8	-121.9	0	0	0	110.7	C16 I22 R32 R72 R321	C16-D20 HydrophobicContact CB-CB 4.1Å; C16-D20 PolarHBondContact O-N 3.43Å; D20-I22 VanDerWaalsContact C-N 3.32Å; D20-I22 PolarHBondContact O-N 3.2Å; D20-R32 IonicContact OD1-NE 3.64Å; D20-R32 IonicContact OD2-NE 3.69Å; D20-R72 PolarHBondContact O-NH1 3.42Å; D20-R321 IonicContact OD1-CZ 3.28Å; D20-R321 IonicContact OD1-NH2 3.65Å; D20-R321 PolarHBondContact OD1-NH2 3.17Å; D20-R321 IonicContact OD2-NH2 3.56Å
21	N	92.7	Very high	94.2	Very high	46 Å²	46	39.7 Å²	39.7	25%	0.246	20%	0.199	C	C	.	.			trans	57.2	40.5	173.9	-155.4	30.1	0	0	0	113.8	H30 V31 R72 M318	N21-H30 PolarHBondContact OD1-CE1 3.16Å; N21-H30 PolarHBondContact OD1-ND1 2.75Å; N21-V31 PolarHBondContact N-O 3.45Å; N21-R72 PolarHBondContact O-NH2 3.45Å; N21-M318 HydrophobicContact CB-CG 3.79Å; N21-M318 HydrophobicContact CB-SD 4.17Å
22	I	94.4	Very high	94.2	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.4	173.5	-62.7	169.3	0	0	0	107.5	D20 H30 V31 F33 V65 E68 V69	D20-I22 VanDerWaalsContact C-N 3.32Å; D20-I22 PolarHBondContact O-N 3.2Å; I22-H30 CarbonylContact O-C 3.57Å; I22-H30 WeakPolarHBondContact O-CA 3.24Å; I22-V31 HydrophobicContact CB-CG2 3.99Å; I22-V31 HydrophobicContact CG2-CG2 4.18Å; I22-V31 PolarHBondContact N-O 2.66Å; I22-V31 WeakPolarHBondContact O-CG2 3.49Å; I22-V31 PolarHBondContact O-N 3.41Å; I22-F33 HydrophobicContact CD1-CB 3.87Å; I22-V65 HydrophobicContact CD1-CG1 4Å; I22-V65 HydrophobicContact CG2-CG1 4.46Å; I22-V65 HydrophobicContact CG2-CG2 4.42Å; I22-E68 HydrophobicContact CG2-CB 4.37Å; I22-E68 HydrophobicContact CG2-CG 4.05Å; I22-V69 HydrophobicContact CD1-CG2 3.56Å
23	F	93.1	Very high	94.3	Very high	93 Å²	93	43.5 Å²	43.5	41%	0.408	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127.3	-177.6	-173.2	-118.3	0	0	0	111.1	D25 K28 H30	F23-D25 HydrophobicContact CD1-CB 4.43Å; F23-D25 HydrophobicContact CE1-CB 4.13Å; F23-D25 WeakPolarHBondContact CE1-OD1 3.32Å; F23-K28 HydrophobicContact CZ-CB 4.44Å; F23-K28 HydrophobicContact CZ-CD 3.9Å; F23-H30 AromaticContact CD2-CD2 3.73Å; F23-H30 AromaticContact CD2-CE1 3.56Å; F23-H30 AromaticContact CD2-ND1 3.9Å; F23-H30 AromaticContact CD2-NE2 3.43Å; F23-H30 WeakPolarHBondContact CD2-NE2 3.42Å; F23-H30 AromaticContact CE2-NE2 3.99Å; F23-H30 AromaticContact CG-CE1 3.96Å
24	L	93.8	Very high	94.3	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	100.8	171.8	-66.3	179.7	0	0	0	109.1	D26 Y27 K28 L29 V31 F39 L47 V61 V65	L24-D26 PolarHBondContact O-N 3.1Å; L24-Y27 HydrophobicContact CB-CD2 4.18Å; L24-Y27 HydrophobicContact CD1-CD2 4.37Å; L24-Y27 CarbonylContact O-C 3.39Å; L24-Y27 PolarHBondContact O-N 2.83Å; L24-K28 WeakPolarHBondContact O-CA 3.38Å; L24-K28 PolarHBondContact O-N 3.18Å; L24-L29 PolarHBondContact N-O 2.88Å; L24-L29 PolarHBondContact O-N 3.38Å; L24-V31 HydrophobicContact CD1-CB 4.48Å; L24-V31 HydrophobicContact CD1-CG1 3.66Å; L24-V31 HydrophobicContact CD1-CG2 3.96Å; L24-V31 HydrophobicContact CG-CG1 4.27Å; L24-V31 HydrophobicContact CG-CG2 3.96Å; L24-F39 HydrophobicContact CD1-CZ 4.29Å; L24-L47 HydrophobicContact CD1-CD2 4.08Å; L24-V61 HydrophobicContact CD1-CG1 3.8Å; L24-V61 HydrophobicContact CD2-CG1 4.18Å; L24-V65 HydrophobicContact CD2-CG2 3.69Å
25	D	89.9	Confident	94.3	Very high	89 Å²	89	48.7 Å²	48.7	48%	0.476	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-60.4	-42.5	-174.3	-170.6	62.9	0	0	0	113.1	F23 Y27 K28	F23-D25 HydrophobicContact CD1-CB 4.43Å; F23-D25 HydrophobicContact CE1-CB 4.13Å; F23-D25 WeakPolarHBondContact CE1-OD1 3.32Å; D25-Y27 PolarHBondContact O-N 3.42Å; D25-K28 VanDerWaalsContact CG-NZ 3.33Å; D25-K28 VanDerWaalsContact O-CD 3.24Å; D25-K28 WeakPolarHBondContact O-CD 3.04Å; D25-K28 WeakPolarHBondContact O-CE 3.18Å; D25-K28 PolarHBondContact O-N 3.36Å; D25-K28 IonicContact OD1-NZ 2.88Å; D25-K28 PolarHBondContact OD1-NZ 3.37Å; D25-K28 IonicContact OD2-NZ 3.68Å; D25-K28 PolarHBondContact OD2-NZ 2.91Å
26	D	91.7	Very high	94.3	Very high	93 Å²	93	51.4 Å²	51.4	50%	0.497	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-58.2	-26.3	-179.4	-50.6	-39.9	0	0	0	112.9	L24 K64	L24-D26 PolarHBondContact O-N 3.1Å; D26-K64 IonicContact OD1-NZ 2.76Å; D26-K64 PolarHBondContact OD1-NZ 3.43Å; D26-K64 IonicContact OD2-NZ 3.55Å; D26-K64 PolarHBondContact OD2-NZ 2.96Å
27	Y	93.8	Very high	94.3	Very high	32 Å²	32	58 Å²	58	13%	0.125	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-116.6	-0.7	-175	-55.5	-77.6	0	0	0	112.9	L24 D25 L29 L47 F50 C52 V61	L24-Y27 HydrophobicContact CB-CD2 4.18Å; L24-Y27 HydrophobicContact CD1-CD2 4.37Å; L24-Y27 CarbonylContact O-C 3.39Å; L24-Y27 PolarHBondContact O-N 2.83Å; D25-Y27 PolarHBondContact O-N 3.42Å; Y27-L29 PolarHBondContact O-N 3.45Å; Y27-L47 HydrophobicContact CD1-CD2 4.03Å; Y27-L47 HydrophobicContact CD2-CD2 3.74Å; Y27-L47 HydrophobicContact CE1-CD2 4.35Å; Y27-L47 HydrophobicContact CE2-CD2 4.14Å; Y27-L47 HydrophobicContact CG-CD2 3.69Å; Y27-F50 HydrophobicContact CD1-CB 3.61Å; Y27-F50 HydrophobicContact CE1-CB 4.34Å; Y27-C52 HydrophobicContact CE1-CB 3.86Å; Y27-C52 VanDerWaalsContact OH-CB 3.31Å; Y27-C52 WeakPolarHBondContact OH-CB 3.45Å; Y27-V61 HydrophobicContact CD2-CG2 4.37Å; Y27-V61 HydrophobicContact CE2-CG2 3.42Å; Y27-V61 VanDerWaalsContact CE2-CG2 3.42Å
28	K	90.6	Very high	94.4	Very high	142 Å²	142	57.6 Å²	57.6	62%	0.617	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.7	43.7	-173.9	-53.8	-62.7	172.2	-174.9	0	112.6	F23 L24 D25	F23-K28 HydrophobicContact CZ-CB 4.44Å; F23-K28 HydrophobicContact CZ-CD 3.9Å; L24-K28 WeakPolarHBondContact O-CA 3.38Å; L24-K28 PolarHBondContact O-N 3.18Å; D25-K28 VanDerWaalsContact CG-NZ 3.33Å; D25-K28 VanDerWaalsContact O-CD 3.24Å; D25-K28 WeakPolarHBondContact O-CD 3.04Å; D25-K28 WeakPolarHBondContact O-CE 3.18Å; D25-K28 PolarHBondContact O-N 3.36Å; D25-K28 IonicContact OD1-NZ 2.88Å; D25-K28 PolarHBondContact OD1-NZ 3.37Å; D25-K28 IonicContact OD2-NZ 3.68Å; D25-K28 PolarHBondContact OD2-NZ 2.91Å
29	L	92.3	Very high	94.5	Very high	34 Å²	34	56.7 Å²	56.7	18%	0.178	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.2	-171.1	179.3	66.4	0	0	0	111.3	L24 Y27 V31 Y43 L46 L47	L24-L29 PolarHBondContact N-O 2.88Å; L24-L29 PolarHBondContact O-N 3.38Å; Y27-L29 PolarHBondContact O-N 3.45Å; L29-V31 HydrophobicContact CD2-CG1 3.76Å; L29-V31 HydrophobicContact CG-CG1 3.87Å; L29-Y43 HydrophobicContact CD2-CD1 4.31Å; L29-L46 HydrophobicContact CD1-CD2 4.28Å; L29-L46 HydrophobicContact CD2-CD2 3.76Å; L29-L46 HydrophobicContact CD2-CG 4.35Å; L29-L47 HydrophobicContact CD2-CD2 4.35Å
30	H	92.8	Very high	94.5	Very high	97 Å²	97	57.8 Å²	57.8	45%	0.449	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	131.2	166.2	-70.5	-86.9	0	0	0	110.8	N21 I22 F23	N21-H30 PolarHBondContact OD1-CE1 3.16Å; N21-H30 PolarHBondContact OD1-ND1 2.75Å; I22-H30 CarbonylContact O-C 3.57Å; I22-H30 WeakPolarHBondContact O-CA 3.24Å; F23-H30 AromaticContact CD2-CD2 3.73Å; F23-H30 AromaticContact CD2-CE1 3.56Å; F23-H30 AromaticContact CD2-ND1 3.9Å; F23-H30 AromaticContact CD2-NE2 3.43Å; F23-H30 WeakPolarHBondContact CD2-NE2 3.42Å; F23-H30 AromaticContact CE2-NE2 3.99Å; F23-H30 AromaticContact CG-CE1 3.96Å
31	V	95.7	Very high	94.6	Very high	3 Å²	3	63.2 Å²	63.2	2%	0.018	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	160.3	-177.6	-60.1	0	0	0	0	111.9	N21 I22 L24 L29 F39 Y43 V65	N21-V31 PolarHBondContact N-O 3.45Å; I22-V31 HydrophobicContact CB-CG2 3.99Å; I22-V31 HydrophobicContact CG2-CG2 4.18Å; I22-V31 PolarHBondContact N-O 2.66Å; I22-V31 WeakPolarHBondContact O-CG2 3.49Å; I22-V31 PolarHBondContact O-N 3.41Å; L24-V31 HydrophobicContact CD1-CB 4.48Å; L24-V31 HydrophobicContact CD1-CG1 3.66Å; L24-V31 HydrophobicContact CD1-CG2 3.96Å; L24-V31 HydrophobicContact CG-CG1 4.27Å; L24-V31 HydrophobicContact CG-CG2 3.96Å; L29-V31 HydrophobicContact CD2-CG1 3.76Å; L29-V31 HydrophobicContact CG-CG1 3.87Å; V31-F39 HydrophobicContact CB-CE2 3.79Å; V31-F39 HydrophobicContact CB-CZ 4.45Å; V31-F39 HydrophobicContact CG1-CE2 4.23Å; V31-F39 HydrophobicContact CG1-CZ 4.44Å; V31-F39 HydrophobicContact CG2-CE2 3.66Å; V31-F39 HydrophobicContact CG2-CZ 4.25Å; V31-Y43 HydrophobicContact CB-CD1 4.42Å; V31-Y43 HydrophobicContact CB-CD2 4.41Å; V31-Y43 HydrophobicContact CB-CE1 4.05Å; V31-Y43 HydrophobicContact CB-CE2 4.05Å; V31-Y43 HydrophobicContact CG1-CD1 3.81Å; V31-Y43 HydrophobicContact CG1-CD2 4.5Å; V31-Y43 HydrophobicContact CG1-CE1 3.75Å; V31-Y43 HydrophobicContact CG1-CE2 4.45Å; V31-Y43 HydrophobicContact CG1-CG 4.19Å; V31-V65 HydrophobicContact CG2-CG2 4.27Å
32	R	95.9	Very high	94.8	Very high	85 Å²	85	65.3 Å²	65.3	32%	0.321	32%	0.315	S	S	.	.			trans	-110.1	136.1	171.2	-178.2	-180	174.6	-132.7	-0.9	110	T19 D20 V34 Q38 Y43	T19-R32 CarbonylContact O-C 3.56Å; T19-R32 WeakPolarHBondContact O-CA 3.48Å; T19-R32 WeakPolarHBondContact O-CG 3.39Å; D20-R32 IonicContact OD1-NE 3.64Å; D20-R32 IonicContact OD2-NE 3.69Å; R32-V34 HydrophobicContact CG-CG2 4.49Å; R32-Q38 PolarHBondContact O-NE2 3.33Å; R32-Q38 PolarHBondContact O-OE1 2.99Å; R32-Y43 PolarHBondContact N-OH 2.89Å; R32-Y43 VanDerWaalsContact O-CE2 3.31Å; R32-Y43 WeakPolarHBondContact O-CE2 3.42Å
33	F	97	Very high	94.9	Very high	28 Å²	28	66.8 Å²	66.8	12%	0.123	32%	0.321	C	S	.	.			trans	-129.9	114.9	178.9	-171.5	-97.7	0	0	0	111.7	T19 I22 F39 L62 V65 V69	T19-F33 WeakPolarHBondContact CA-O 3.49Å; T19-F33 WeakPolarHBondContact CB-O 3.37Å; T19-F33 WeakPolarHBondContact CG2-O 3.45Å; T19-F33 PolarHBondContact O-N 3.18Å; I22-F33 HydrophobicContact CD1-CB 3.87Å; F33-F39 HydrophobicContact CB-CD2 4.48Å; F33-F39 HydrophobicContact CD2-CB 3.88Å; F33-F39 AromaticContact CD2-CD2 3.7Å; F33-F39 HydrophobicContact CD2-CD2 3.7Å; F33-F39 HydrophobicContact CD2-CE2 4.47Å; F33-F39 AromaticContact CD2-CG 3.93Å; F33-F39 HydrophobicContact CD2-CG 3.93Å; F33-F39 HydrophobicContact CE2-CB 4.1Å; F33-F39 HydrophobicContact CE2-CG 4.35Å; F33-L62 HydrophobicContact CE2-CD2 3.99Å; F33-V65 HydrophobicContact CB-CG1 3.41Å; F33-V65 VanDerWaalsContact CB-CG1 3.41Å; F33-V65 HydrophobicContact CD1-CG1 4.02Å; F33-V65 HydrophobicContact CD2-CB 4.41Å; F33-V65 HydrophobicContact CD2-CG1 3.41Å; F33-V65 VanDerWaalsContact CD2-CG1 3.41Å; F33-V65 HydrophobicContact CE2-CG1 4.12Å; F33-V65 HydrophobicContact CG-CG1 3.33Å; F33-V69 HydrophobicContact CB-CG2 4.41Å; F33-V69 HydrophobicContact CD1-CG2 3.89Å; F33-V69 HydrophobicContact CG-CG2 4.49Å
34	V	95.6	Very high	95	Very high	79 Å²	79	66.1 Å²	66.1	48%	0.479	32%	0.319	S	S	.	.	S	Bend	trans	-115.6	-40	171.6	179.7	0	0	0	0	110.5	T19 R32	T19-V34 HydrophobicContact CG2-CG2 4.42Å; R32-V34 HydrophobicContact CG-CG2 4.49Å
35	S	96.5	Very high	95.1	Very high	49 Å²	49	73.8 Å²	73.8	34%	0.343	35%	0.354	S	S	.	.			trans	-154.8	159.1	175.1	67.3	0	0	0	0	109.8	H37 Q38 F39	S35-H37 PolarHBondContact O-N 3.18Å; S35-Q38 PolarHBondContact O-N 3.17Å; S35-Q38 PolarHBondContact OG-N 2.61Å; S35-F39 WeakPolarHBondContact O-CB 3.5Å; S35-F39 PolarHBondContact O-N 3.33Å
36	E	96.3	Very high	95.4	Very high	97 Å²	97	72.3 Å²	72.3	45%	0.453	35%	0.346	S	S	.	.	H	α-helix	trans	-56.4	-38.2	173.7	-179.9	176.3	165.5	0	0	111.8	F39 R40 L62	E36-F39 PolarHBondContact O-N 3.05Å; E36-R40 HydrophobicContact CG-CG 4.39Å; E36-R40 WeakPolarHBondContact O-CB 3.22Å; E36-R40 WeakPolarHBondContact O-CG 3.31Å; E36-R40 PolarHBondContact O-N 2.9Å; E36-R40 IonicContact OE1-CZ 2.75Å; E36-R40 VanDerWaalsContact OE1-CZ 3.28Å; E36-R40 IonicContact OE1-NE 3.27Å; E36-R40 PolarHBondContact OE1-NE 3.42Å; E36-R40 IonicContact OE1-NH2 3.45Å; E36-R40 PolarHBondContact OE1-NH2 3.27Å; E36-L62 HydrophobicContact CG-CD1 3.68Å; E36-L62 HydrophobicContact CG-CD2 4.06Å
37	H	97.1	Very high	95.7	Very high	143 Å²	143	67.9 Å²	67.9	66%	0.662	32%	0.323	S	S	*	.	H	α-helix	trans	-61.7	-48.6	178	-178.3	70.2	0	0	0	112.3	S35 F39 L41	S35-H37 PolarHBondContact O-N 3.18Å; H37-F39 VanDerWaalsContact C-N 3.33Å; H37-L41 WeakPolarHBondContact O-CB 3.42Å; H37-L41 PolarHBondContact O-N 2.89Å; H37-L41 VanDerWaalsContact O-N 3.1Å
38	Q	96.9	Very high	95.8	Very high	22 Å²	22	69.3 Å²	69.3	10%	0.103	34%	0.335	C	S	.	.	H	α-helix	trans	-61.7	-44.5	175.4	167.5	-90.7	-38.2	0	0	110.8	R32 S35 R40 L41 E42	R32-Q38 PolarHBondContact O-NE2 3.33Å; R32-Q38 PolarHBondContact O-OE1 2.99Å; S35-Q38 PolarHBondContact O-N 3.17Å; S35-Q38 PolarHBondContact OG-N 2.61Å; Q38-R40 PolarHBondContact O-N 3.47Å; Q38-L41 PolarHBondContact O-N 3.02Å; Q38-E42 HydrophobicContact CG-CG 4.45Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.43Å; Q38-E42 PolarHBondContact NE2-OE1 3.39Å; Q38-E42 PolarHBondContact NE2-OE2 3.24Å; Q38-E42 PolarHBondContact O-N 3.49Å
39	F	97.4	Very high	96.1	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-62	-44.1	-177.8	-166.9	-93.4	0	0	0	112.4	L24 V31 F33 S35 E36 H37 Y43 L47 F58 V61 L62 V65	L24-F39 HydrophobicContact CD1-CZ 4.29Å; V31-F39 HydrophobicContact CB-CE2 3.79Å; V31-F39 HydrophobicContact CB-CZ 4.45Å; V31-F39 HydrophobicContact CG1-CE2 4.23Å; V31-F39 HydrophobicContact CG1-CZ 4.44Å; V31-F39 HydrophobicContact CG2-CE2 3.66Å; V31-F39 HydrophobicContact CG2-CZ 4.25Å; F33-F39 HydrophobicContact CB-CD2 4.48Å; F33-F39 HydrophobicContact CD2-CB 3.88Å; F33-F39 AromaticContact CD2-CD2 3.7Å; F33-F39 HydrophobicContact CD2-CD2 3.7Å; F33-F39 HydrophobicContact CD2-CE2 4.47Å; F33-F39 AromaticContact CD2-CG 3.93Å; F33-F39 HydrophobicContact CD2-CG 3.93Å; F33-F39 HydrophobicContact CE2-CB 4.1Å; F33-F39 HydrophobicContact CE2-CG 4.35Å; S35-F39 WeakPolarHBondContact O-CB 3.5Å; S35-F39 PolarHBondContact O-N 3.33Å; E36-F39 PolarHBondContact O-N 3.05Å; H37-F39 VanDerWaalsContact C-N 3.33Å; F39-Y43 AromaticContact CD2-CD2 3.61Å; F39-Y43 HydrophobicContact CD2-CD2 3.61Å; F39-Y43 HydrophobicContact CD2-CE2 4.13Å; F39-Y43 AromaticContact CE2-CD2 3.73Å; F39-Y43 HydrophobicContact CE2-CD2 3.73Å; F39-Y43 HydrophobicContact CE2-CE2 4.27Å; F39-Y43 HydrophobicContact CE2-CG 4.28Å; F39-Y43 HydrophobicContact CG-CD2 4.13Å; F39-Y43 HydrophobicContact CZ-CD2 4.31Å; F39-Y43 HydrophobicContact CZ-CG 4.47Å; F39-Y43 WeakPolarHBondContact O-CB 3.45Å; F39-Y43 PolarHBondContact O-N 3.33Å; F39-L47 HydrophobicContact CE1-CD1 3.83Å; F39-L47 HydrophobicContact CZ-CD1 4.11Å; F39-F58 HydrophobicContact CD1-CE1 4.4Å; F39-F58 HydrophobicContact CD1-CE2 4.4Å; F39-F58 AromaticContact CD1-CZ 3.73Å; F39-F58 HydrophobicContact CD1-CZ 3.73Å; F39-F58 HydrophobicContact CE1-CE2 4.28Å; F39-F58 HydrophobicContact CE1-CZ 4.02Å; F39-V61 HydrophobicContact CE1-CG1 3.82Å; F39-V61 HydrophobicContact CZ-CG1 3.83Å; F39-L62 HydrophobicContact CB-CD2 4.25Å; F39-L62 HydrophobicContact CD1-CD2 3.5Å; F39-L62 HydrophobicContact CD1-CG 4.47Å; F39-L62 HydrophobicContact CE1-CD2 4.13Å; F39-L62 HydrophobicContact CG-CD2 4.04Å; F39-V65 HydrophobicContact CE2-CG2 4.09Å; F39-V65 HydrophobicContact CZ-CG2 4.02Å
40	R	96	Very high	96.2	Very high	55 Å²	55	76.4 Å²	76.4	21%	0.208	36%	0.359	C	S	.	.	H	α-helix	trans	-59.7	-48.7	173.8	-77.9	-180	-176.6	-88	4.7	111.6	E36 Q38 E42 Q44 E55 F58	E36-R40 HydrophobicContact CG-CG 4.39Å; E36-R40 WeakPolarHBondContact O-CB 3.22Å; E36-R40 WeakPolarHBondContact O-CG 3.31Å; E36-R40 PolarHBondContact O-N 2.9Å; E36-R40 IonicContact OE1-CZ 2.75Å; E36-R40 VanDerWaalsContact OE1-CZ 3.28Å; E36-R40 IonicContact OE1-NE 3.27Å; E36-R40 PolarHBondContact OE1-NE 3.42Å; E36-R40 IonicContact OE1-NH2 3.45Å; E36-R40 PolarHBondContact OE1-NH2 3.27Å; Q38-R40 PolarHBondContact O-N 3.47Å; R40-E42 VanDerWaalsContact C-N 3.33Å; R40-E42 PolarHBondContact O-N 3.34Å; R40-Q44 WeakPolarHBondContact O-CB 3.07Å; R40-Q44 PolarHBondContact O-N 3.39Å; R40-Q44 VanDerWaalsContact O-N 3.16Å; R40-E55 IonicContact CZ-OE1 2.8Å; R40-E55 VanDerWaalsContact CZ-OE1 3.27Å; R40-E55 IonicContact NH1-OE1 3.45Å; R40-E55 PolarHBondContact NH1-OE1 3.18Å; R40-E55 IonicContact NH1-OE2 3.12Å; R40-E55 PolarHBondContact NH1-OE2 3.3Å; R40-E55 IonicContact NH2-OE1 3.52Å; R40-E55 PolarHBondContact NH2-OE1 3.38Å; R40-F58 HydrophobicContact CB-CZ 4.3Å; R40-F58 HydrophobicContact CG-CD1 4.43Å; R40-F58 HydrophobicContact CG-CE1 3.34Å; R40-F58 HydrophobicContact CG-CZ 3.53Å
41	L	97	Very high	96.3	Very high	133 Å²	133	73.4 Å²	73.4	70%	0.696	35%	0.354	S	S	*	.	H	α-helix	trans	-61.6	-41.7	-177.4	-167	152.5	0	0	0	112.1	H37 Q38	H37-L41 WeakPolarHBondContact O-CB 3.42Å; H37-L41 PolarHBondContact O-N 2.89Å; H37-L41 VanDerWaalsContact O-N 3.1Å; Q38-L41 PolarHBondContact O-N 3.02Å
42	E	97.1	Very high	96.3	Very high	89 Å²	89	73.4 Å²	73.4	42%	0.416	35%	0.354	S	S	.	.	H	α-helix	trans	-86.1	-38.1	-175.2	-69.3	179.5	-162.8	0	0	113.7	Q38 R40	Q38-E42 HydrophobicContact CG-CG 4.45Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.43Å; Q38-E42 PolarHBondContact NE2-OE1 3.39Å; Q38-E42 PolarHBondContact NE2-OE2 3.24Å; Q38-E42 PolarHBondContact O-N 3.49Å; R40-E42 VanDerWaalsContact C-N 3.33Å; R40-E42 PolarHBondContact O-N 3.34Å
43	Y	97.1	Very high	96.3	Very high	34 Å²	34	74.3 Å²	74.3	13%	0.133	37%	0.369	C	S	.	.	H	α-helix	trans	-114	-15.1	-166.6	-62.3	-73.4	0	0	0	115.3	L29 V31 R32 F39 Q45 L46 L47	L29-Y43 HydrophobicContact CD2-CD1 4.31Å; V31-Y43 HydrophobicContact CB-CD1 4.42Å; V31-Y43 HydrophobicContact CB-CD2 4.41Å; V31-Y43 HydrophobicContact CB-CE1 4.05Å; V31-Y43 HydrophobicContact CB-CE2 4.05Å; V31-Y43 HydrophobicContact CG1-CD1 3.81Å; V31-Y43 HydrophobicContact CG1-CD2 4.5Å; V31-Y43 HydrophobicContact CG1-CE1 3.75Å; V31-Y43 HydrophobicContact CG1-CE2 4.45Å; V31-Y43 HydrophobicContact CG1-CG 4.19Å; R32-Y43 PolarHBondContact N-OH 2.89Å; R32-Y43 VanDerWaalsContact O-CE2 3.31Å; R32-Y43 WeakPolarHBondContact O-CE2 3.42Å; F39-Y43 AromaticContact CD2-CD2 3.61Å; F39-Y43 HydrophobicContact CD2-CD2 3.61Å; F39-Y43 HydrophobicContact CD2-CE2 4.13Å; F39-Y43 AromaticContact CE2-CD2 3.73Å; F39-Y43 HydrophobicContact CE2-CD2 3.73Å; F39-Y43 HydrophobicContact CE2-CE2 4.27Å; F39-Y43 HydrophobicContact CE2-CG 4.28Å; F39-Y43 HydrophobicContact CG-CD2 4.13Å; F39-Y43 HydrophobicContact CZ-CD2 4.31Å; F39-Y43 HydrophobicContact CZ-CG 4.47Å; F39-Y43 WeakPolarHBondContact O-CB 3.45Å; F39-Y43 PolarHBondContact O-N 3.33Å; Y43-Q45 PolarHBondContact O-N 2.93Å; Y43-L46 HydrophobicContact CD1-CD2 4.45Å; Y43-L46 PolarHBondContact O-N 2.95Å; Y43-L47 WeakPolarHBondContact O-CB 3.27Å; Y43-L47 VanDerWaalsContact O-CG 3.32Å; Y43-L47 WeakPolarHBondContact O-CG 3.37Å; Y43-L47 PolarHBondContact O-N 3.37Å
44	Q	95.4	Very high	96.3	Very high	78 Å²	78	76.3 Å²	76.3	36%	0.364	38%	0.383	S	S	.	.	H	α-helix	trans	-58.2	-50.1	-174.4	-175.7	173.9	-8.9	0	0	112.4	R40 L46 L47 T48 F58	R40-Q44 WeakPolarHBondContact O-CB 3.07Å; R40-Q44 PolarHBondContact O-N 3.39Å; R40-Q44 VanDerWaalsContact O-N 3.16Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.11Å; Q44-L47 PolarHBondContact O-N 2.82Å; Q44-T48 WeakPolarHBondContact O-CB 3.48Å; Q44-T48 PolarHBondContact O-N 2.65Å; Q44-T48 PolarHBondContact O-OG1 2.97Å; Q44-F58 HydrophobicContact CB-CE2 3.9Å; Q44-F58 HydrophobicContact CB-CZ 4.32Å; Q44-F58 HydrophobicContact CG-CD2 4.37Å; Q44-F58 HydrophobicContact CG-CE2 4.1Å
45	Q	95.9	Very high	96.3	Very high	167 Å²	167	77.2 Å²	77.2	78%	0.78	38%	0.382	S	S	*	.	H	α-helix	trans	-63.1	-37.9	179.4	-65.8	-175.2	5.1	0	0	112.5	Y43 R49	Y43-Q45 PolarHBondContact O-N 2.93Å; Q45-R49 WeakPolarHBondContact O-CG 3.3Å; Q45-R49 PolarHBondContact O-N 3.25Å
46	L	96.3	Very high	96.3	Very high	58 Å²	58	80.6 Å²	80.6	30%	0.304	39%	0.393	S	S	.	.	H	α-helix	trans	-69.2	-46.3	179.5	-178	60.7	0	0	0	111.4	L29 Y43 Q44 T48 R49 F50	L29-L46 HydrophobicContact CD1-CD2 4.28Å; L29-L46 HydrophobicContact CD2-CD2 3.76Å; L29-L46 HydrophobicContact CD2-CG 4.35Å; Y43-L46 HydrophobicContact CD1-CD2 4.45Å; Y43-L46 PolarHBondContact O-N 2.95Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.11Å; L46-T48 VanDerWaalsContact C-N 3.31Å; L46-T48 PolarHBondContact O-N 2.9Å; L46-R49 WeakPolarHBondContact O-CB 3.42Å; L46-R49 PolarHBondContact O-N 3.1Å; L46-R49 VanDerWaalsContact O-N 3.13Å; L46-F50 HydrophobicContact CD1-CD2 4.27Å; L46-F50 HydrophobicContact CD1-CE2 3.61Å; L46-F50 HydrophobicContact CD1-CZ 3.92Å; L46-F50 HydrophobicContact CD2-CE2 4.36Å; L46-F50 HydrophobicContact CG-CD2 4.17Å; L46-F50 HydrophobicContact CG-CE2 3.77Å; L46-F50 WeakPolarHBondContact O-CD2 3.1Å; L46-F50 PolarHBondContact O-N 3.45Å
47	L	97	Very high	96.3	Very high	0 Å²	0	79.2 Å²	79.2	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-63.3	-38	177.4	-71.3	169.6	0	0	0	111.4	L24 Y27 L29 F39 Y43 Q44 R49 F50 G51 C52 F58 V61	L24-L47 HydrophobicContact CD1-CD2 4.08Å; Y27-L47 HydrophobicContact CD1-CD2 4.03Å; Y27-L47 HydrophobicContact CD2-CD2 3.74Å; Y27-L47 HydrophobicContact CE1-CD2 4.35Å; Y27-L47 HydrophobicContact CE2-CD2 4.14Å; Y27-L47 HydrophobicContact CG-CD2 3.69Å; L29-L47 HydrophobicContact CD2-CD2 4.35Å; F39-L47 HydrophobicContact CE1-CD1 3.83Å; F39-L47 HydrophobicContact CZ-CD1 4.11Å; Y43-L47 WeakPolarHBondContact O-CB 3.27Å; Y43-L47 VanDerWaalsContact O-CG 3.32Å; Y43-L47 WeakPolarHBondContact O-CG 3.37Å; Y43-L47 PolarHBondContact O-N 3.37Å; Q44-L47 PolarHBondContact O-N 2.82Å; L47-R49 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 2.87Å; L47-F50 CarbonylContact O-C 3.46Å; L47-F50 WeakPolarHBondContact O-CA 3.45Å; L47-F50 PolarHBondContact O-N 2.89Å; L47-G51 PolarHBondContact O-N 2.55Å; L47-G51 VanDerWaalsContact O-N 3.13Å; L47-C52 HydrophobicContact CB-CB 3.78Å; L47-C52 VanDerWaalsContact O-CB 3.26Å; L47-C52 WeakPolarHBondContact O-CB 3.36Å; L47-C52 PolarHBondContact O-N 2.83Å; L47-F58 HydrophobicContact CD1-CD2 4.32Å; L47-F58 HydrophobicContact CD1-CE2 3.89Å; L47-V61 HydrophobicContact CD1-CG1 4.05Å
48	T	96.4	Very high	96.3	Very high	63 Å²	63	72.6 Å²	72.6	39%	0.387	36%	0.356	S	S	.	.	H	α-helix	trans	-60.7	-40.1	173.3	-61.6	0	0	0	0	112.1	Q44 L46 F50 G51 C52 V53	Q44-T48 WeakPolarHBondContact O-CB 3.48Å; Q44-T48 PolarHBondContact O-N 2.65Å; Q44-T48 PolarHBondContact O-OG1 2.97Å; L46-T48 VanDerWaalsContact C-N 3.31Å; L46-T48 PolarHBondContact O-N 2.9Å; T48-F50 PolarHBondContact O-N 3.32Å; T48-G51 PolarHBondContact O-N 2.77Å; T48-C52 VanDerWaalsContact CA-O 3.29Å; T48-C52 WeakPolarHBondContact CA-O 3.33Å; T48-C52 PolarHBondContact OG1-O 3.35Å; T48-C52 VanDerWaalsContact OG1-O 3.08Å; T48-V53 HydrophobicContact CG2-CG1 4.3Å
49	R	96.4	Very high	96.3	Very high	215 Å²	215	74.1 Å²	74.1	81%	0.811	37%	0.366	S	S	*	.	H	α-helix	trans	-63	-27	173.3	-73.8	173.9	139.4	-171.6	-5.3	113	Q45 L46 L47	Q45-R49 WeakPolarHBondContact O-CG 3.3Å; Q45-R49 PolarHBondContact O-N 3.25Å; L46-R49 WeakPolarHBondContact O-CB 3.42Å; L46-R49 PolarHBondContact O-N 3.1Å; L46-R49 VanDerWaalsContact O-N 3.13Å; L47-R49 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 2.87Å
50	F	95.2	Very high	96.2	Very high	110 Å²	110	77.6 Å²	77.6	48%	0.482	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	13.5	174.6	-60.5	-40.8	0	0	0	114	Y27 L46 L47 T48	Y27-F50 HydrophobicContact CD1-CB 3.61Å; Y27-F50 HydrophobicContact CE1-CB 4.34Å; L46-F50 HydrophobicContact CD1-CD2 4.27Å; L46-F50 HydrophobicContact CD1-CE2 3.61Å; L46-F50 HydrophobicContact CD1-CZ 3.92Å; L46-F50 HydrophobicContact CD2-CE2 4.36Å; L46-F50 HydrophobicContact CG-CD2 4.17Å; L46-F50 HydrophobicContact CG-CE2 3.77Å; L46-F50 WeakPolarHBondContact O-CD2 3.1Å; L46-F50 PolarHBondContact O-N 3.45Å; L47-F50 CarbonylContact O-C 3.46Å; L47-F50 WeakPolarHBondContact O-CA 3.45Å; L47-F50 PolarHBondContact O-N 2.89Å; T48-F50 PolarHBondContact O-N 3.32Å
51	G	94.8	Very high	96.3	Very high	34 Å²	34	75 Å²	75	35%	0.351	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.2	1.9	171	0	0	0	0	0	116.2	L47 T48 V53 Q57	L47-G51 PolarHBondContact O-N 2.55Å; L47-G51 VanDerWaalsContact O-N 3.13Å; T48-G51 PolarHBondContact O-N 2.77Å; G51-V53 VanDerWaalsContact C-N 3.3Å; G51-V53 PolarHBondContact O-N 3.19Å; G51-Q57 PolarHBondContact O-NE2 3.03Å
52	C	96	Very high	96.3	Very high	3 Å²	3	69.5 Å²	69.5	2%	0.02	35%	0.346	C	S	.	.			trans	-78.3	76.6	170.2	-170.4	0	0	0	0	110.6	Y27 L47 T48 F58	Y27-C52 HydrophobicContact CE1-CB 3.86Å; Y27-C52 VanDerWaalsContact OH-CB 3.31Å; Y27-C52 WeakPolarHBondContact OH-CB 3.45Å; L47-C52 HydrophobicContact CB-CB 3.78Å; L47-C52 VanDerWaalsContact O-CB 3.26Å; L47-C52 WeakPolarHBondContact O-CB 3.36Å; L47-C52 PolarHBondContact O-N 2.83Å; T48-C52 VanDerWaalsContact CA-O 3.29Å; T48-C52 WeakPolarHBondContact CA-O 3.33Å; T48-C52 PolarHBondContact OG1-O 3.35Å; T48-C52 VanDerWaalsContact OG1-O 3.08Å; C52-F58 VanDerWaalsContact SG-CA 3.57Å; C52-F58 PolarHBondContact SG-N 2.82Å; C52-F58 VanDerWaalsContact SG-N 3.42Å
53	V	95.9	Very high	96.3	Very high	103 Å²	103	68.2 Å²	68.2	62%	0.624	35%	0.345	S	S	*	.			trans	-99	-13.5	-169.1	-63.3	0	0	0	0	114.2	T48 G51	T48-V53 HydrophobicContact CG2-CG1 4.3Å; G51-V53 VanDerWaalsContact C-N 3.3Å; G51-V53 PolarHBondContact O-N 3.19Å
54	T	96.2	Very high	96.2	Very high	70 Å²	70	71.2 Å²	71.2	43%	0.429	36%	0.358	S	S	.	.	S	Bend	trans	-109.9	152.9	178.6	66.8	0	0	0	0	111.6	Q56 Q57 F58	T54-Q56 PolarHBondContact O-N 2.92Å; T54-Q57 PolarHBondContact O-N 2.8Å; T54-Q57 WeakPolarHBondContact OG1-CB 3.43Å; T54-Q57 VanDerWaalsContact OG1-CD 3.3Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.34Å; T54-Q57 PolarHBondContact OG1-N 2.94Å; T54-Q57 PolarHBondContact OG1-OE1 3.43Å; T54-F58 PolarHBondContact O-N 2.81Å
55	E	95.3	Very high	96.3	Very high	99 Å²	99	67.5 Å²	67.5	46%	0.463	34%	0.341	S	S	.	.	H	α-helix	trans	-61.4	-35.8	174.6	-173.7	59.5	-153.9	0	0	111.5	R40 F58 V59	R40-E55 IonicContact CZ-OE1 2.8Å; R40-E55 VanDerWaalsContact CZ-OE1 3.27Å; R40-E55 IonicContact NH1-OE1 3.45Å; R40-E55 PolarHBondContact NH1-OE1 3.18Å; R40-E55 IonicContact NH1-OE2 3.12Å; R40-E55 PolarHBondContact NH1-OE2 3.3Å; R40-E55 IonicContact NH2-OE1 3.52Å; R40-E55 PolarHBondContact NH2-OE1 3.38Å; E55-F58 WeakPolarHBondContact O-CB 3.39Å; E55-F58 PolarHBondContact O-N 2.95Å; E55-V59 HydrophobicContact CG-CG2 4.5Å; E55-V59 WeakPolarHBondContact O-CG2 3.37Å; E55-V59 PolarHBondContact O-N 3.46Å
56	Q	97.1	Very high	96.3	Very high	120 Å²	120	61.8 Å²	61.8	56%	0.561	32%	0.32	S	S	*	.	H	α-helix	trans	-62.5	-46.1	177.5	-173.4	59.4	53.1	0	0	111.9	T54 F58 V59 D60	T54-Q56 PolarHBondContact O-N 2.92Å; Q56-F58 PolarHBondContact O-N 3.34Å; Q56-V59 PolarHBondContact O-N 2.85Å; Q56-D60 PolarHBondContact NE2-OD1 3.2Å; Q56-D60 PolarHBondContact O-N 2.79Å
57	Q	96.7	Very high	96.2	Very high	67 Å²	67	64.9 Å²	64.9	31%	0.313	33%	0.332	S	S	.	.	H	α-helix	trans	-58.7	-37.9	175.2	-73.9	166.5	-43.7	0	0	111.6	G51 T54 D60 V61	G51-Q57 PolarHBondContact O-NE2 3.03Å; T54-Q57 PolarHBondContact O-N 2.8Å; T54-Q57 WeakPolarHBondContact OG1-CB 3.43Å; T54-Q57 VanDerWaalsContact OG1-CD 3.3Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.34Å; T54-Q57 PolarHBondContact OG1-N 2.94Å; T54-Q57 PolarHBondContact OG1-OE1 3.43Å; Q57-D60 PolarHBondContact O-N 2.94Å; Q57-V61 WeakPolarHBondContact O-CG2 3.2Å; Q57-V61 PolarHBondContact O-N 3.24Å
58	F	96.8	Very high	96.2	Very high	5 Å²	5	66.7 Å²	66.7	2%	0.022	34%	0.341	C	S	.	.	H	α-helix	trans	-68.4	-41	178.3	-166.8	-90	0	0	0	111.9	F39 R40 Q44 L47 C52 T54 E55 Q56 D60 V61 L62	F39-F58 HydrophobicContact CD1-CE1 4.4Å; F39-F58 HydrophobicContact CD1-CE2 4.4Å; F39-F58 AromaticContact CD1-CZ 3.73Å; F39-F58 HydrophobicContact CD1-CZ 3.73Å; F39-F58 HydrophobicContact CE1-CE2 4.28Å; F39-F58 HydrophobicContact CE1-CZ 4.02Å; R40-F58 HydrophobicContact CB-CZ 4.3Å; R40-F58 HydrophobicContact CG-CD1 4.43Å; R40-F58 HydrophobicContact CG-CE1 3.34Å; R40-F58 HydrophobicContact CG-CZ 3.53Å; Q44-F58 HydrophobicContact CB-CE2 3.9Å; Q44-F58 HydrophobicContact CB-CZ 4.32Å; Q44-F58 HydrophobicContact CG-CD2 4.37Å; Q44-F58 HydrophobicContact CG-CE2 4.1Å; L47-F58 HydrophobicContact CD1-CD2 4.32Å; L47-F58 HydrophobicContact CD1-CE2 3.89Å; C52-F58 VanDerWaalsContact SG-CA 3.57Å; C52-F58 PolarHBondContact SG-N 2.82Å; C52-F58 VanDerWaalsContact SG-N 3.42Å; T54-F58 PolarHBondContact O-N 2.81Å; E55-F58 WeakPolarHBondContact O-CB 3.39Å; E55-F58 PolarHBondContact O-N 2.95Å; Q56-F58 PolarHBondContact O-N 3.34Å; F58-D60 VanDerWaalsContact C-N 3.3Å; F58-D60 PolarHBondContact O-N 3.43Å; F58-V61 WeakPolarHBondContact O-CB 3.43Å; F58-V61 PolarHBondContact O-N 3.28Å; F58-L62 HydrophobicContact CD1-CD1 3.81Å; F58-L62 HydrophobicContact CD1-CG 4.05Å; F58-L62 HydrophobicContact CE1-CD1 3.63Å; F58-L62 HydrophobicContact CE1-CD2 4.11Å; F58-L62 HydrophobicContact CE1-CG 3.75Å; F58-L62 PolarHBondContact O-N 2.99Å
59	V	96.3	Very high	96.1	Very high	53 Å²	53	63.8 Å²	63.8	32%	0.321	32%	0.323	S	S	.	.	H	α-helix	trans	-61.4	-39.2	172.7	170.1	0	0	0	0	111.4	E55 Q56 V61 L62 T63	E55-V59 HydrophobicContact CG-CG2 4.5Å; E55-V59 WeakPolarHBondContact O-CG2 3.37Å; E55-V59 PolarHBondContact O-N 3.46Å; Q56-V59 PolarHBondContact O-N 2.85Å; V59-V61 VanDerWaalsContact C-N 3.34Å; V59-V61 PolarHBondContact O-N 3.18Å; V59-L62 PolarHBondContact O-N 3.26Å; V59-T63 WeakPolarHBondContact O-CB 3.36Å; V59-T63 PolarHBondContact O-N 2.75Å; V59-T63 PolarHBondContact O-OG1 3.11Å
60	D	96.6	Very high	96.1	Very high	73 Å²	73	56.1 Å²	56.1	39%	0.39	30%	0.298	S	S	.	.	H	α-helix	trans	-64.2	-40.6	176.1	-61.5	-19.1	0	0	0	110.9	Q56 Q57 F58 T63 K64	Q56-D60 PolarHBondContact NE2-OD1 3.2Å; Q56-D60 PolarHBondContact O-N 2.79Å; Q57-D60 PolarHBondContact O-N 2.94Å; F58-D60 VanDerWaalsContact C-N 3.3Å; F58-D60 PolarHBondContact O-N 3.43Å; D60-T63 WeakPolarHBondContact O-CB 3.36Å; D60-T63 PolarHBondContact O-N 3.07Å; D60-K64 WeakPolarHBondContact O-CG 3.33Å; D60-K64 PolarHBondContact O-N 3.49Å
61	V	97.2	Very high	96.1	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.012	29%	0.294	C	S	.	.	H	α-helix	trans	-60.8	-50.3	172.8	171.9	0	0	0	0	111.3	L24 Y27 F39 L47 Q57 F58 V59 T63 K64 V65	L24-V61 HydrophobicContact CD1-CG1 3.8Å; L24-V61 HydrophobicContact CD2-CG1 4.18Å; Y27-V61 HydrophobicContact CD2-CG2 4.37Å; Y27-V61 HydrophobicContact CE2-CG2 3.42Å; Y27-V61 VanDerWaalsContact CE2-CG2 3.42Å; F39-V61 HydrophobicContact CE1-CG1 3.82Å; F39-V61 HydrophobicContact CZ-CG1 3.83Å; L47-V61 HydrophobicContact CD1-CG1 4.05Å; Q57-V61 WeakPolarHBondContact O-CG2 3.2Å; Q57-V61 PolarHBondContact O-N 3.24Å; F58-V61 WeakPolarHBondContact O-CB 3.43Å; F58-V61 PolarHBondContact O-N 3.28Å; V59-V61 VanDerWaalsContact C-N 3.34Å; V59-V61 PolarHBondContact O-N 3.18Å; V61-T63 PolarHBondContact O-N 3.06Å; V61-K64 PolarHBondContact O-N 2.9Å; V61-V65 HydrophobicContact CG1-CG2 4.34Å; V61-V65 WeakPolarHBondContact O-CG2 3.4Å; V61-V65 PolarHBondContact O-N 3.07Å
62	L	96.9	Very high	96	Very high	16 Å²	16	55 Å²	55	8%	0.084	28%	0.28	C	S	.	.	H	α-helix	trans	-57.4	-40	177.4	-74.5	173.7	0	0	0	111.8	F33 E36 F39 F58 V59 V65 S66	F33-L62 HydrophobicContact CE2-CD2 3.99Å; E36-L62 HydrophobicContact CG-CD1 3.68Å; E36-L62 HydrophobicContact CG-CD2 4.06Å; F39-L62 HydrophobicContact CB-CD2 4.25Å; F39-L62 HydrophobicContact CD1-CD2 3.5Å; F39-L62 HydrophobicContact CD1-CG 4.47Å; F39-L62 HydrophobicContact CE1-CD2 4.13Å; F39-L62 HydrophobicContact CG-CD2 4.04Å; F58-L62 HydrophobicContact CD1-CD1 3.81Å; F58-L62 HydrophobicContact CD1-CG 4.05Å; F58-L62 HydrophobicContact CE1-CD1 3.63Å; F58-L62 HydrophobicContact CE1-CD2 4.11Å; F58-L62 HydrophobicContact CE1-CG 3.75Å; F58-L62 PolarHBondContact O-N 2.99Å; V59-L62 PolarHBondContact O-N 3.26Å; L62-V65 PolarHBondContact O-N 2.86Å; L62-S66 WeakPolarHBondContact O-CB 3.44Å; L62-S66 PolarHBondContact O-N 2.72Å
63	T	96.6	Very high	95.9	Very high	63 Å²	63	62.3 Å²	62.3	39%	0.387	31%	0.308	S	S	.	.	H	α-helix	trans	-62.3	-48.3	177.6	-59.9	0	0	0	0	110.9	V59 D60 V61 V65 S66 Q67	V59-T63 WeakPolarHBondContact O-CB 3.36Å; V59-T63 PolarHBondContact O-N 2.75Å; V59-T63 PolarHBondContact O-OG1 3.11Å; D60-T63 WeakPolarHBondContact O-CB 3.36Å; D60-T63 PolarHBondContact O-N 3.07Å; V61-T63 PolarHBondContact O-N 3.06Å; T63-V65 PolarHBondContact O-N 3.1Å; T63-S66 PolarHBondContact O-N 3.4Å; T63-Q67 HydrophobicContact CG2-CG 4.49Å; T63-Q67 WeakPolarHBondContact O-CB 3.4Å; T63-Q67 VanDerWaalsContact O-CG 3.25Å; T63-Q67 WeakPolarHBondContact O-CG 3.43Å; T63-Q67 PolarHBondContact O-N 3.24Å
64	K	96.2	Very high	95.8	Very high	96 Å²	96	63.8 Å²	63.8	42%	0.417	30%	0.302	S	S	.	.	H	α-helix	trans	-59.3	-45.1	176.2	-71.5	179.7	-178.4	-172.9	0	111.8	D26 D60 V61 Q67 E68	D26-K64 IonicContact OD1-NZ 2.76Å; D26-K64 PolarHBondContact OD1-NZ 3.43Å; D26-K64 IonicContact OD2-NZ 3.55Å; D26-K64 PolarHBondContact OD2-NZ 2.96Å; D60-K64 WeakPolarHBondContact O-CG 3.33Å; D60-K64 PolarHBondContact O-N 3.49Å; V61-K64 PolarHBondContact O-N 2.9Å; K64-Q67 PolarHBondContact O-N 2.75Å; K64-E68 PolarHBondContact O-N 3Å
65	V	96.6	Very high	95.6	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.6	-47.5	178	174.8	0	0	0	0	111	I22 L24 V31 F33 F39 V61 L62 T63 Q67 E68 V69	I22-V65 HydrophobicContact CD1-CG1 4Å; I22-V65 HydrophobicContact CG2-CG1 4.46Å; I22-V65 HydrophobicContact CG2-CG2 4.42Å; L24-V65 HydrophobicContact CD2-CG2 3.69Å; V31-V65 HydrophobicContact CG2-CG2 4.27Å; F33-V65 HydrophobicContact CB-CG1 3.41Å; F33-V65 VanDerWaalsContact CB-CG1 3.41Å; F33-V65 HydrophobicContact CD1-CG1 4.02Å; F33-V65 HydrophobicContact CD2-CB 4.41Å; F33-V65 HydrophobicContact CD2-CG1 3.41Å; F33-V65 VanDerWaalsContact CD2-CG1 3.41Å; F33-V65 HydrophobicContact CE2-CG1 4.12Å; F33-V65 HydrophobicContact CG-CG1 3.33Å; F39-V65 HydrophobicContact CE2-CG2 4.09Å; F39-V65 HydrophobicContact CZ-CG2 4.02Å; V61-V65 HydrophobicContact CG1-CG2 4.34Å; V61-V65 WeakPolarHBondContact O-CG2 3.4Å; V61-V65 PolarHBondContact O-N 3.07Å; L62-V65 PolarHBondContact O-N 2.86Å; T63-V65 PolarHBondContact O-N 3.1Å; V65-Q67 VanDerWaalsContact C-N 3.35Å; V65-Q67 PolarHBondContact O-N 2.99Å; V65-E68 PolarHBondContact O-N 2.99Å; V65-V69 HydrophobicContact CG1-CG2 4.44Å; V65-V69 VanDerWaalsContact O-CG2 3.31Å; V65-V69 WeakPolarHBondContact O-CG2 3.46Å; V65-V69 PolarHBondContact O-N 3.31Å
66	S	95.8	Very high	95.5	Very high	48 Å²	48	60.5 Å²	60.5	34%	0.336	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-42.6	179.2	-167.8	0	0	0	0	111.7	L62 T63 E68 V69 D70	L62-S66 WeakPolarHBondContact O-CB 3.44Å; L62-S66 PolarHBondContact O-N 2.72Å; T63-S66 PolarHBondContact O-N 3.4Å; S66-E68 VanDerWaalsContact C-N 3.33Å; S66-E68 PolarHBondContact O-N 2.85Å; S66-V69 PolarHBondContact O-N 3.38Å; S66-D70 WeakPolarHBondContact O-CB 3.21Å; S66-D70 PolarHBondContact O-N 2.88Å
67	Q	95.3	Very high	95.3	Very high	122 Å²	122	60.1 Å²	60.1	57%	0.57	29%	0.285	S	S	*	.	H	α-helix	trans	-60.4	-42.6	176.1	-74.9	172.6	-7.4	0	0	111.8	T63 K64 V65 D70 R71	T63-Q67 HydrophobicContact CG2-CG 4.49Å; T63-Q67 WeakPolarHBondContact O-CB 3.4Å; T63-Q67 VanDerWaalsContact O-CG 3.25Å; T63-Q67 WeakPolarHBondContact O-CG 3.43Å; T63-Q67 PolarHBondContact O-N 3.24Å; K64-Q67 PolarHBondContact O-N 2.75Å; V65-Q67 VanDerWaalsContact C-N 3.35Å; V65-Q67 PolarHBondContact O-N 2.99Å; Q67-D70 PolarHBondContact O-N 2.82Å; Q67-R71 WeakPolarHBondContact O-CB 3.36Å; Q67-R71 PolarHBondContact O-N 2.93Å
68	E	95.6	Very high	95.2	Very high	39 Å²	39	58.9 Å²	58.9	18%	0.182	28%	0.282	C	S	.	.	H	α-helix	trans	-66.5	-41	176.6	176.6	55.7	-167.1	0	0	111.9	I22 K64 V65 S66 D70 R71 R72	I22-E68 HydrophobicContact CG2-CB 4.37Å; I22-E68 HydrophobicContact CG2-CG 4.05Å; K64-E68 PolarHBondContact O-N 3Å; V65-E68 PolarHBondContact O-N 2.99Å; S66-E68 VanDerWaalsContact C-N 3.33Å; S66-E68 PolarHBondContact O-N 2.85Å; E68-D70 PolarHBondContact O-N 3.44Å; E68-R71 WeakPolarHBondContact O-CB 3.34Å; E68-R71 PolarHBondContact O-N 3.48Å; E68-R71 IonicContact OE1-CZ 2.87Å; E68-R71 IonicContact OE1-NE 3.67Å; E68-R71 IonicContact OE1-NH2 2.9Å; E68-R71 PolarHBondContact OE1-NH2 2.94Å; E68-R71 IonicContact OE2-CZ 3.15Å; E68-R71 IonicContact OE2-NE 3.63Å; E68-R71 PolarHBondContact OE2-NE 3.13Å; E68-R71 IonicContact OE2-NH2 2.92Å; E68-R71 PolarHBondContact OE2-NH2 2.73Å; E68-R72 WeakPolarHBondContact O-CG 3.49Å; E68-R72 PolarHBondContact O-N 3.28Å; E68-R72 IonicContact OE1-CZ 3.48Å; E68-R72 IonicContact OE1-NE 3.53Å; E68-R72 PolarHBondContact OE1-NE 3.04Å; E68-R72 IonicContact OE1-NH2 2.66Å; E68-R72 PolarHBondContact OE1-NH2 3.44Å
69	V	95.6	Very high	95.1	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-60.5	-46.3	174.6	171.3	0	0	0	0	111	I22 F33 V65 S66 R71 R72 R73	I22-V69 HydrophobicContact CD1-CG2 3.56Å; F33-V69 HydrophobicContact CB-CG2 4.41Å; F33-V69 HydrophobicContact CD1-CG2 3.89Å; F33-V69 HydrophobicContact CG-CG2 4.49Å; V65-V69 HydrophobicContact CG1-CG2 4.44Å; V65-V69 VanDerWaalsContact O-CG2 3.31Å; V65-V69 WeakPolarHBondContact O-CG2 3.46Å; V65-V69 PolarHBondContact O-N 3.31Å; S66-V69 PolarHBondContact O-N 3.38Å; V69-R71 VanDerWaalsContact C-N 3.32Å; V69-R71 PolarHBondContact O-N 2.94Å; V69-R72 PolarHBondContact O-N 3.24Å; V69-R73 VanDerWaalsContact CG1-CZ 3.48Å; V69-R73 WeakPolarHBondContact O-CG 3.37Å; V69-R73 PolarHBondContact O-N 2.75Å
70	D	95.4	Very high	95	Very high	54 Å²	54	59.8 Å²	59.8	29%	0.289	30%	0.295	S	S	.	.	H	α-helix	trans	-68.7	-31.4	179.6	-70.1	-25.7	0	0	0	112.6	S66 Q67 E68 R73 R74	S66-D70 WeakPolarHBondContact O-CB 3.21Å; S66-D70 PolarHBondContact O-N 2.88Å; Q67-D70 PolarHBondContact O-N 2.82Å; E68-D70 PolarHBondContact O-N 3.44Å; D70-R73 IonicContact OD1-NH1 2.79Å; D70-R73 PolarHBondContact OD1-NH1 3.25Å; D70-R73 VanDerWaalsContact OD1-NH1 3.12Å; D70-R74 PolarHBondContact O-N 2.82Å; D70-R74 PolarHBondContact O-NE 3.18Å; D70-R74 VanDerWaalsContact O-NE 3.12Å
71	R	94.7	Very high	95	Very high	103 Å²	103	61.9 Å²	61.9	39%	0.389	30%	0.302	S	S	.	.	H	α-helix	trans	-64.9	-46.5	170.5	-169.9	-164.8	68.9	77.5	1.2	110.8	Q67 E68 V69 R74 I75	Q67-R71 WeakPolarHBondContact O-CB 3.36Å; Q67-R71 PolarHBondContact O-N 2.93Å; E68-R71 WeakPolarHBondContact O-CB 3.34Å; E68-R71 PolarHBondContact O-N 3.48Å; E68-R71 IonicContact OE1-CZ 2.87Å; E68-R71 IonicContact OE1-NE 3.67Å; E68-R71 IonicContact OE1-NH2 2.9Å; E68-R71 PolarHBondContact OE1-NH2 2.94Å; E68-R71 IonicContact OE2-CZ 3.15Å; E68-R71 IonicContact OE2-NE 3.63Å; E68-R71 PolarHBondContact OE2-NE 3.13Å; E68-R71 IonicContact OE2-NH2 2.92Å; E68-R71 PolarHBondContact OE2-NH2 2.73Å; V69-R71 VanDerWaalsContact C-N 3.32Å; V69-R71 PolarHBondContact O-N 2.94Å; R71-R74 PolarHBondContact O-N 2.89Å; R71-I75 PolarHBondContact O-N 3.21Å
72	R	93.9	Very high	95	Very high	17 Å²	17	64.1 Å²	64.1	6%	0.064	31%	0.31	C	S	.	.	H	α-helix	trans	-64	-39.1	178.5	-72.4	-170.2	-167	-175	1.1	112.4	F17 T18 D20 N21 E68 V69 R74 I75	F17-R72 HydrophobicContact CD1-CB 4Å; F17-R72 HydrophobicContact CD1-CG 4.45Å; F17-R72 HydrophobicContact CE1-CB 3.5Å; F17-R72 VanDerWaalsContact CE1-CB 3.5Å; F17-R72 HydrophobicContact CE1-CG 3.79Å; F17-R72 WeakPolarHBondContact CE1-O 3.31Å; F17-R72 HydrophobicContact CZ-CB 4.06Å; F17-R72 HydrophobicContact CZ-CG 3.81Å; F17-R72 WeakPolarHBondContact O-CD 3.2Å; F17-R72 PolarHBondContact O-NH1 3.45Å; T18-R72 HydrophobicContact CG2-CB 4.39Å; D20-R72 PolarHBondContact O-NH1 3.42Å; N21-R72 PolarHBondContact O-NH2 3.45Å; E68-R72 WeakPolarHBondContact O-CG 3.49Å; E68-R72 PolarHBondContact O-N 3.28Å; E68-R72 IonicContact OE1-CZ 3.48Å; E68-R72 IonicContact OE1-NE 3.53Å; E68-R72 PolarHBondContact OE1-NE 3.04Å; E68-R72 IonicContact OE1-NH2 2.66Å; E68-R72 PolarHBondContact OE1-NH2 3.44Å; V69-R72 PolarHBondContact O-N 3.24Å; R72-R74 VanDerWaalsContact C-N 3.31Å; R72-R74 PolarHBondContact O-N 2.97Å; R72-I75 WeakPolarHBondContact O-CB 3.28Å; R72-I75 VanDerWaalsContact O-CG2 3.22Å; R72-I75 WeakPolarHBondContact O-CG2 3.38Å; R72-I75 PolarHBondContact O-N 3.32Å
73	R	93.8	Very high	95	Very high	157 Å²	157	65.8 Å²	65.8	59%	0.592	32%	0.321	S	S	*	.	H	α-helix	trans	-61.9	-37.9	175.4	-74.6	171.6	179.2	162.2	-3.1	112.9	T18 V69 D70 I75	T18-R73 HydrophobicContact CG2-CG 3.88Å; V69-R73 VanDerWaalsContact CG1-CZ 3.48Å; V69-R73 WeakPolarHBondContact O-CG 3.37Å; V69-R73 PolarHBondContact O-N 2.75Å; D70-R73 IonicContact OD1-NH1 2.79Å; D70-R73 PolarHBondContact OD1-NH1 3.25Å; D70-R73 VanDerWaalsContact OD1-NH1 3.12Å; R73-I75 VanDerWaalsContact C-N 3.35Å
74	R	93.9	Very high	95.1	Very high	134 Å²	134	65.2 Å²	65.2	51%	0.506	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	9.9	-178.7	-67.4	-179	-76.1	-178.2	-4.2	113.6	D70 R71 R72 C76 E77 T78	D70-R74 PolarHBondContact O-N 2.82Å; D70-R74 PolarHBondContact O-NE 3.18Å; D70-R74 VanDerWaalsContact O-NE 3.12Å; R71-R74 PolarHBondContact O-N 2.89Å; R72-R74 VanDerWaalsContact C-N 3.31Å; R72-R74 PolarHBondContact O-N 2.97Å; R74-C76 PolarHBondContact O-N 2.85Å; R74-E77 PolarHBondContact O-N 2.89Å; R74-T78 HydrophobicContact CB-CG2 4.13Å; R74-T78 WeakPolarHBondContact O-CB 3.36Å; R74-T78 VanDerWaalsContact O-CG2 3.28Å; R74-T78 WeakPolarHBondContact O-CG2 3.32Å; R74-T78 PolarHBondContact O-N 2.77Å; R74-T78 PolarHBondContact O-OG1 2.98Å
75	I	92.1	Very high	95.2	Very high	56 Å²	56	62.3 Å²	62.3	29%	0.287	32%	0.317	S	S	.	.	H	α-helix	trans	-64.3	-40	-170.7	-160.7	167.5	0	0	0	112.8	F17 R71 R72 R73 T78 S79	F17-I75 HydrophobicContact CE1-CD1 4.39Å; F17-I75 HydrophobicContact CE1-CG2 3.92Å; F17-I75 HydrophobicContact CZ-CD1 3.86Å; F17-I75 HydrophobicContact CZ-CG2 4.41Å; R71-I75 PolarHBondContact O-N 3.21Å; R72-I75 WeakPolarHBondContact O-CB 3.28Å; R72-I75 VanDerWaalsContact O-CG2 3.22Å; R72-I75 WeakPolarHBondContact O-CG2 3.38Å; R72-I75 PolarHBondContact O-N 3.32Å; R73-I75 VanDerWaalsContact C-N 3.35Å; I75-T78 PolarHBondContact O-OG1 2.91Å; I75-S79 VanDerWaalsContact O-CB 3.24Å; I75-S79 WeakPolarHBondContact O-CB 3.38Å; I75-S79 PolarHBondContact O-N 2.84Å
76	C	91.8	Very high	95.2	Very high	43 Å²	43	62.7 Å²	62.7	29%	0.291	32%	0.318	S	S	.	.	H	α-helix	trans	-70.4	-49.2	179.7	-62.8	0	0	0	0	110.8	R74 T78 S79 A80	R74-C76 PolarHBondContact O-N 2.85Å; C76-T78 PolarHBondContact O-N 3.23Å; C76-S79 PolarHBondContact O-N 3.13Å; C76-A80 PolarHBondContact O-N 2.72Å
77	E	93.4	Very high	95.3	Very high	113 Å²	113	68.8 Å²	68.8	53%	0.528	34%	0.339	S	S	.	.	H	α-helix	trans	-55.5	-53.3	176.8	-179.2	-179.9	-157.4	0	0	111.4	R74 S79 A80 E81	R74-E77 PolarHBondContact O-N 2.89Å; E77-S79 VanDerWaalsContact C-N 3.28Å; E77-S79 PolarHBondContact O-N 2.94Å; E77-A80 PolarHBondContact O-N 2.81Å; E77-A80 VanDerWaalsContact O-N 3.17Å; E77-E81 WeakPolarHBondContact O-CG 3.43Å; E77-E81 PolarHBondContact O-N 2.78Å
78	T	94.6	Very high	95.3	Very high	41 Å²	41	69.4 Å²	69.4	25%	0.252	35%	0.346	S	S	.	.	H	α-helix	trans	-65.5	-30.6	-179.7	58.3	0	0	0	0	112.9	R74 I75 C76 R82	R74-T78 HydrophobicContact CB-CG2 4.13Å; R74-T78 WeakPolarHBondContact O-CB 3.36Å; R74-T78 VanDerWaalsContact O-CG2 3.28Å; R74-T78 WeakPolarHBondContact O-CG2 3.32Å; R74-T78 PolarHBondContact O-N 2.77Å; R74-T78 PolarHBondContact O-OG1 2.98Å; I75-T78 PolarHBondContact O-OG1 2.91Å; C76-T78 PolarHBondContact O-N 3.23Å; T78-R82 WeakPolarHBondContact O-CG 3.19Å; T78-R82 PolarHBondContact O-N 2.77Å; T78-R82 VanDerWaalsContact O-N 3.11Å; T78-R82 PolarHBondContact O-NH1 3.18Å; T78-R82 VanDerWaalsContact O-NH1 3.12Å; T78-R82 PolarHBondContact OG1-NH1 3.35Å
79	S	94.9	Very high	95.3	Very high	23 Å²	23	71.5 Å²	71.5	16%	0.161	36%	0.362	C	S	.	.	H	α-helix	trans	-68.4	-45.5	173.2	-171.8	0	0	0	0	111	I75 C76 E77 E81 R82 T83 E181	I75-S79 VanDerWaalsContact O-CB 3.24Å; I75-S79 WeakPolarHBondContact O-CB 3.38Å; I75-S79 PolarHBondContact O-N 2.84Å; C76-S79 PolarHBondContact O-N 3.13Å; E77-S79 VanDerWaalsContact C-N 3.28Å; E77-S79 PolarHBondContact O-N 2.94Å; S79-E81 PolarHBondContact O-N 2.73Å; S79-R82 PolarHBondContact O-N 3.25Å; S79-T83 PolarHBondContact O-N 2.87Å; S79-T83 PolarHBondContact O-OG1 3.35Å; S79-E181 WeakPolarHBondContact CA-OE1 3.37Å; S79-E181 WeakPolarHBondContact CB-OE1 3.47Å; S79-E181 PolarHBondContact OG-OE1 3Å
80	A	94.9	Very high	95.4	Very high	53 Å²	53	72.4 Å²	72.4	44%	0.438	37%	0.365	S	S	.	.	H	α-helix	trans	-61.5	-42.5	176.9	0	0	0	0	0	112.4	C76 E77 T83 A84	C76-A80 PolarHBondContact O-N 2.72Å; E77-A80 PolarHBondContact O-N 2.81Å; E77-A80 VanDerWaalsContact O-N 3.17Å; A80-T83 PolarHBondContact O-N 2.76Å; A80-A84 WeakPolarHBondContact O-CB 3.08Å; A80-A84 PolarHBondContact O-N 3.21Å
81	E	96.8	Very high	95.5	Very high	117 Å²	117	77.6 Å²	77.6	55%	0.547	39%	0.388	S	S	.	.	H	α-helix	trans	-60.1	-45.3	174.2	-71.9	176.6	159.7	0	0	112	E77 S79 A84 A85	E77-E81 WeakPolarHBondContact O-CG 3.43Å; E77-E81 PolarHBondContact O-N 2.78Å; S79-E81 PolarHBondContact O-N 2.73Å; E81-A84 PolarHBondContact O-N 2.9Å; E81-A85 WeakPolarHBondContact O-CB 3.31Å; E81-A85 PolarHBondContact O-N 2.8Å
82	R	97.1	Very high	95.7	Very high	50 Å²	50	75 Å²	75	19%	0.189	38%	0.384	C	S	.	.	H	α-helix	trans	-62.4	-49.3	175.8	-77.4	-168	-58.5	-79.7	-0.2	111.6	T78 S79 A84 A85 I86 P165 E181	T78-R82 WeakPolarHBondContact O-CG 3.19Å; T78-R82 PolarHBondContact O-N 2.77Å; T78-R82 VanDerWaalsContact O-N 3.11Å; T78-R82 PolarHBondContact O-NH1 3.18Å; T78-R82 VanDerWaalsContact O-NH1 3.12Å; T78-R82 PolarHBondContact OG1-NH1 3.35Å; S79-R82 PolarHBondContact O-N 3.25Å; R82-A84 VanDerWaalsContact C-N 3.29Å; R82-A84 PolarHBondContact O-N 2.62Å; R82-A85 PolarHBondContact O-N 3Å; R82-A85 VanDerWaalsContact O-N 3.1Å; R82-I86 WeakPolarHBondContact O-CB 3.4Å; R82-I86 VanDerWaalsContact O-CG1 3.25Å; R82-I86 WeakPolarHBondContact O-CG1 3.42Å; R82-I86 PolarHBondContact O-N 3.47Å; R82-P165 HydrophobicContact CB-CG 4.45Å; R82-P165 HydrophobicContact CG-CB 4.13Å; R82-P165 HydrophobicContact CG-CG 4.3Å; R82-E181 IonicContact CZ-OE1 3.64Å; R82-E181 VanDerWaalsContact CZ-OE1 3.31Å; R82-E181 IonicContact CZ-OE2 2.75Å; R82-E181 IonicContact NE-OE1 2.77Å; R82-E181 PolarHBondContact NE-OE1 3.32Å; R82-E181 IonicContact NE-OE2 3.18Å; R82-E181 PolarHBondContact NE-OE2 2.67Å; R82-E181 IonicContact NH2-OE1 2.92Å; R82-E181 PolarHBondContact NH2-OE1 2.88Å; R82-E181 IonicContact NH2-OE2 2.65Å
83	T	97	Very high	95.9	Very high	51 Å²	51	78.4 Å²	78.4	31%	0.313	40%	0.403	S	S	.	.	H	α-helix	trans	-55.9	-44.5	177.8	-59	0	0	0	0	111.3	S79 A80 K87 E181	S79-T83 PolarHBondContact O-N 2.87Å; S79-T83 PolarHBondContact O-OG1 3.35Å; A80-T83 PolarHBondContact O-N 2.76Å; T83-K87 WeakPolarHBondContact O-CB 3.25Å; T83-K87 PolarHBondContact O-N 2.82Å; T83-E181 WeakPolarHBondContact OG1-CA 3.34Å
84	A	97.3	Very high	96.1	Very high	50 Å²	50	75 Å²	75	41%	0.413	39%	0.39	S	S	.	.	H	α-helix	trans	-64.3	-42.2	176.7	0	0	0	0	0	112.2	A80 E81 R82 N88	A80-A84 WeakPolarHBondContact O-CB 3.08Å; A80-A84 PolarHBondContact O-N 3.21Å; E81-A84 PolarHBondContact O-N 2.9Å; R82-A84 VanDerWaalsContact C-N 3.29Å; R82-A84 PolarHBondContact O-N 2.62Å; A84-N88 VanDerWaalsContact O-CG 3.29Å; A84-N88 PolarHBondContact O-N 3.34Å; A84-N88 PolarHBondContact O-ND2 2.78Å; A84-N88 VanDerWaalsContact O-ND2 3.08Å
85	A	97.9	Very high	96.3	Very high	35 Å²	35	72.4 Å²	72.4	29%	0.289	39%	0.391	S	S	.	.	H	α-helix	trans	-66.5	-43.5	177.3	0	0	0	0	0	112.4	E81 R82 K87 N88 T89 P165	E81-A85 WeakPolarHBondContact O-CB 3.31Å; E81-A85 PolarHBondContact O-N 2.8Å; R82-A85 PolarHBondContact O-N 3Å; R82-A85 VanDerWaalsContact O-N 3.1Å; A85-K87 PolarHBondContact O-N 3.4Å; A85-N88 PolarHBondContact O-N 3.25Å; A85-N88 VanDerWaalsContact O-N 3.13Å; A85-T89 WeakPolarHBondContact O-CB 3.32Å; A85-T89 WeakPolarHBondContact O-CG2 3.24Å; A85-T89 PolarHBondContact O-N 2.8Å; A85-T89 PolarHBondContact O-OG1 3.4Å; A85-P165 HydrophobicContact CB-CG 3.68Å
86	I	98.1	Very high	96.6	Very high	8 Å²	8	72.8 Å²	72.8	4%	0.041	39%	0.391	C	S	.	.	H	α-helix	trans	-56.2	-51.7	175	-69.7	163.2	0	0	0	109.2	R82 N88 T89 Y90 F159 A164 P165 E181 L182	R82-I86 WeakPolarHBondContact O-CB 3.4Å; R82-I86 VanDerWaalsContact O-CG1 3.25Å; R82-I86 WeakPolarHBondContact O-CG1 3.42Å; R82-I86 PolarHBondContact O-N 3.47Å; I86-N88 PolarHBondContact O-N 3.43Å; I86-T89 PolarHBondContact O-N 2.85Å; I86-Y90 HydrophobicContact CG2-CD1 4.48Å; I86-Y90 WeakPolarHBondContact O-CB 3.31Å; I86-Y90 PolarHBondContact O-N 3.05Å; I86-F159 HydrophobicContact CD1-CE2 4.25Å; I86-F159 HydrophobicContact CD1-CZ 3.89Å; I86-F159 HydrophobicContact CG1-CE2 4.07Å; I86-F159 HydrophobicContact CG1-CZ 4.13Å; I86-F159 HydrophobicContact CG2-CE2 3.99Å; I86-A164 HydrophobicContact CG1-CB 4.29Å; I86-P165 HydrophobicContact CG1-CG 4.23Å; I86-E181 HydrophobicContact CD1-CB 4Å; I86-L182 HydrophobicContact CG2-CD1 3.89Å
87	K	96.4	Very high	96.9	Very high	177 Å²	177	70.7 Å²	70.7	77%	0.77	38%	0.377	S	S	*	.	H	α-helix	trans	-55.6	-29.5	178.9	-175.2	174.7	-179.2	175.5	0	113.8	T83 A85	T83-K87 WeakPolarHBondContact O-CB 3.25Å; T83-K87 PolarHBondContact O-N 2.82Å; A85-K87 PolarHBondContact O-N 3.4Å
88	N	96.1	Very high	97.2	Very high	134 Å²	134	66.4 Å²	66.4	72%	0.717	36%	0.357	S	S	*	.	H	α-helix	trans	-91.3	-17.5	-179	-68.6	-29.9	0	0	0	114	A84 A85 I86	A84-N88 VanDerWaalsContact O-CG 3.29Å; A84-N88 PolarHBondContact O-N 3.34Å; A84-N88 PolarHBondContact O-ND2 2.78Å; A84-N88 VanDerWaalsContact O-ND2 3.08Å; A85-N88 PolarHBondContact O-N 3.25Å; A85-N88 VanDerWaalsContact O-N 3.13Å; I86-N88 PolarHBondContact O-N 3.43Å
89	T	96.1	Very high	97.3	Very high	84 Å²	84	69 Å²	69	52%	0.515	37%	0.366	S	S	.	.	H	α-helix	trans	-125.3	-21.1	-167.4	58.1	0	0	0	0	114.5	A85 I86	A85-T89 WeakPolarHBondContact O-CB 3.32Å; A85-T89 WeakPolarHBondContact O-CG2 3.24Å; A85-T89 PolarHBondContact O-N 2.8Å; A85-T89 PolarHBondContact O-OG1 3.4Å; I86-T89 PolarHBondContact O-N 2.85Å
90	Y	98.1	Very high	97.5	Very high	20 Å²	20	69.3 Å²	69.3	8%	0.078	37%	0.365	C	S	.	.			trans	-103.9	132.7	-178.9	-176.7	-115.1	0	0	0	110.8	I86 P92 E155 H158 F159 L182	I86-Y90 HydrophobicContact CG2-CD1 4.48Å; I86-Y90 WeakPolarHBondContact O-CB 3.31Å; I86-Y90 PolarHBondContact O-N 3.05Å; Y90-P92 HydrophobicContact CE1-CB 4.46Å; Y90-P92 HydrophobicContact CE1-CG 4.32Å; Y90-E155 VanDerWaalsContact CE1-OE1 3.27Å; Y90-E155 WeakPolarHBondContact CE1-OE1 3.38Å; Y90-E155 PolarHBondContact OH-O 3.38Å; Y90-E155 PolarHBondContact OH-OE1 2.95Å; Y90-H158 AromaticContact CE2-CD2 3.6Å; Y90-H158 AromaticContact CZ-CD2 3.79Å; Y90-H158 PolarHBondContact OH-CD2 3.33Å; Y90-H158 VanDerWaalsContact OH-CD2 3.29Å; Y90-F159 AromaticContact CD1-CD2 3.77Å; Y90-F159 HydrophobicContact CD1-CD2 3.77Å; Y90-F159 HydrophobicContact CD1-CE2 4.37Å; Y90-F159 AromaticContact CD2-CD2 3.82Å; Y90-F159 HydrophobicContact CD2-CD2 3.82Å; Y90-F159 HydrophobicContact CE1-CB 4.2Å; Y90-F159 AromaticContact CE1-CD2 3.81Å; Y90-F159 HydrophobicContact CE1-CD2 3.81Å; Y90-F159 HydrophobicContact CE1-CG 4.44Å; Y90-F159 HydrophobicContact CE2-CB 4Å; Y90-F159 AromaticContact CE2-CD2 3.87Å; Y90-F159 HydrophobicContact CE2-CD2 3.87Å; Y90-F159 HydrophobicContact CE2-CG 4.44Å; Y90-F159 AromaticContact CG-CD2 3.77Å; Y90-F159 HydrophobicContact CG-CD2 3.77Å; Y90-F159 HydrophobicContact CG-CE2 4.24Å; Y90-F159 AromaticContact CZ-CD2 3.86Å; Y90-F159 PolarHBondContact OH-N 2.95Å; Y90-L182 HydrophobicContact CD1-CD1 3.9Å; Y90-L182 HydrophobicContact CE1-CD1 3.95Å
91	E	97.6	Very high	97.7	Very high	164 Å²	164	70.8 Å²	70.8	77%	0.766	36%	0.363	S	S	*	.			trans	-113.3	118.5	173.4	-172.7	143.9	-170.7	0	0	108.9
92	P	98.1	Very high	97.7	Very high	48 Å²	48	69.5 Å²	69.5	31%	0.312	36%	0.36	S	S	.	.			trans	-62.3	137.3	-177	-25.5	34.8	0	0	0	113.3	Y90 P95 Y98 E155	Y90-P92 HydrophobicContact CE1-CB 4.46Å; Y90-P92 HydrophobicContact CE1-CG 4.32Å; P92-P95 HydrophobicContact CB-CG 4.23Å; P92-Y98 HydrophobicContact CB-CE2 3.78Å; P92-Y98 HydrophobicContact CG-CE2 4.13Å; P92-E155 WeakPolarHBondContact CA-OE1 3.28Å
93	L	98.6	Very high	97.8	Very high	89 Å²	89	70.5 Å²	70.5	47%	0.466	37%	0.374	S	S	.	.	S	Bend	trans	-75.4	-35.7	174.9	179	65.4	0	0	0	111.7	E155 H158	L93-E155 WeakPolarHBondContact CA-OE2 3.47Å; L93-E155 WeakPolarHBondContact CB-OE2 3.49Å; L93-E155 PolarHBondContact N-OE2 3.37Å; L93-H158 HydrophobicContact CB-CB 4.01Å; L93-H158 HydrophobicContact CD2-CB 3.97Å
94	R	98.1	Very high	97.8	Very high	85 Å²	85	68.6 Å²	68.6	32%	0.321	36%	0.362	S	S	.	.			trans	-129	69.1	-175.1	-59	-75.6	-172.3	-175.6	4	110.3	H96 V97 E154 E155	R94-H96 PolarHBondContact O-N 2.77Å; R94-V97 HydrophobicContact CB-CG1 3.94Å; R94-V97 HydrophobicContact CB-CG2 4.23Å; R94-V97 VanDerWaalsContact O-CG2 3.29Å; R94-V97 WeakPolarHBondContact O-CG2 3.38Å; R94-V97 PolarHBondContact O-N 2.77Å; R94-E154 IonicContact CZ-OE2 3.96Å; R94-E154 IonicContact NE-OE2 3.5Å; R94-E154 PolarHBondContact NE-OE2 3.33Å; R94-E154 IonicContact NH2-OE1 3.47Å; R94-E154 IonicContact NH2-OE2 2.97Å; R94-E154 PolarHBondContact NH2-OE2 3.25Å; R94-E155 HydrophobicContact CB-CB 4.18Å; R94-E155 HydrophobicContact CG-CB 4.39Å; R94-E155 PolarHBondContact N-OE2 3.24Å
95	P	97.9	Very high	97.9	Very high	80 Å²	80	66.2 Å²	66.2	52%	0.519	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-54.3	-26.2	-174.6	-26	32.8	0	0	0	115.5	P92 V97	P92-P95 HydrophobicContact CB-CG 4.23Å; P95-V97 VanDerWaalsContact C-N 3.3Å; P95-V97 PolarHBondContact O-N 3.33Å
96	H	98.1	Very high	97.9	Very high	63 Å²	63	65 Å²	65	29%	0.292	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-69.6	-20.6	179.2	62.9	-76.3	0	0	0	114.2	R94 Y98 H99 Y104 Q151	R94-H96 PolarHBondContact O-N 2.77Å; H96-Y98 PolarHBondContact O-N 2.91Å; H96-H99 PolarHBondContact O-N 3.25Å; H96-Y104 PolarHBondContact CD2-OH 3.19Å; H96-Y104 VanDerWaalsContact CD2-OH 3.26Å; H96-Y104 PolarHBondContact O-OH 3.23Å; H96-Q151 PolarHBondContact NE2-OE1 3.4Å
97	V	98.3	Very high	97.9	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-73.6	-13.9	-179.3	-54.9	0	0	0	0	113.1	R94 P95 H99 F148 Q151 L152 E155 F184 F188	R94-V97 HydrophobicContact CB-CG1 3.94Å; R94-V97 HydrophobicContact CB-CG2 4.23Å; R94-V97 VanDerWaalsContact O-CG2 3.29Å; R94-V97 WeakPolarHBondContact O-CG2 3.38Å; R94-V97 PolarHBondContact O-N 2.77Å; P95-V97 VanDerWaalsContact C-N 3.3Å; P95-V97 PolarHBondContact O-N 3.33Å; V97-H99 VanDerWaalsContact C-N 3.26Å; V97-H99 PolarHBondContact O-N 3.24Å; V97-F148 HydrophobicContact CB-CE2 4.11Å; V97-F148 HydrophobicContact CG1-CE2 4.16Å; V97-Q151 HydrophobicContact CG1-CB 4.14Å; V97-L152 HydrophobicContact CB-CD1 4.43Å; V97-L152 HydrophobicContact CG2-CD1 4.13Å; V97-E155 HydrophobicContact CG2-CB 3.92Å; V97-E155 HydrophobicContact CG2-CG 3.83Å; V97-F184 HydrophobicContact CG2-CE1 4.22Å; V97-F184 HydrophobicContact CG2-CZ 3.97Å; V97-F184 WeakPolarHBondContact O-CE1 3.17Å; V97-F188 WeakPolarHBondContact O-CD2 3.43Å; V97-F188 WeakPolarHBondContact O-CE2 3.43Å
98	Y	98.4	Very high	98	Very high	23 Å²	23	63 Å²	63	9%	0.09	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-76.3	-10.4	178.6	-72.4	-99.6	0	0	0	114.1	P92 H96 E155 L182 F184 F188	P92-Y98 HydrophobicContact CB-CE2 3.78Å; P92-Y98 HydrophobicContact CG-CE2 4.13Å; H96-Y98 PolarHBondContact O-N 2.91Å; Y98-E155 HydrophobicContact CE2-CG 3.97Å; Y98-E155 PolarHBondContact OH-OE1 3.18Å; Y98-L182 HydrophobicContact CE1-CG 3.96Å; Y98-L182 VanDerWaalsContact CE1-O 3.23Å; Y98-L182 WeakPolarHBondContact CE1-O 3.48Å; Y98-L182 WeakPolarHBondContact OH-CG 3.42Å; Y98-F184 AromaticContact CD1-CD2 3.69Å; Y98-F184 HydrophobicContact CD1-CD2 3.69Å; Y98-F184 HydrophobicContact CD1-CE1 4.46Å; Y98-F184 AromaticContact CD1-CE2 3.53Å; Y98-F184 HydrophobicContact CD1-CE2 3.53Å; Y98-F184 HydrophobicContact CD1-CG 4.23Å; Y98-F184 AromaticContact CD1-CZ 3.95Å; Y98-F184 HydrophobicContact CD1-CZ 3.95Å; Y98-F184 HydrophobicContact CD2-CE2 4.47Å; Y98-F184 HydrophobicContact CD2-CZ 4.21Å; Y98-F184 AromaticContact CE1-CD2 3.6Å; Y98-F184 HydrophobicContact CE1-CD2 3.6Å; Y98-F184 AromaticContact CE1-CE2 3.19Å; Y98-F184 HydrophobicContact CE1-CE2 3.19Å; Y98-F184 AromaticContact CE1-CZ 3.88Å; Y98-F184 HydrophobicContact CE1-CZ 3.88Å; Y98-F184 HydrophobicContact CE2-CE2 4.19Å; Y98-F184 HydrophobicContact CE2-CZ 4.14Å; Y98-F184 HydrophobicContact CG-CE1 4.48Å; Y98-F184 HydrophobicContact CG-CE2 4.18Å; Y98-F184 HydrophobicContact CG-CZ 4.12Å; Y98-F184 AromaticContact CZ-CE2 3.57Å; Y98-F184 AromaticContact CZ-CZ 4Å; Y98-F188 WeakPolarHBondContact O-CB 3.27Å
99	H	98.6	Very high	98.1	Very high	95 Å²	95	56.6 Å²	56.6	44%	0.44	30%	0.296	S	S	.	.	S	Bend	trans	-122.9	122.2	-178.5	-57.2	78.2	0	0	0	108.3	H96 V97 Q101 Y104 D187	H96-H99 PolarHBondContact O-N 3.25Å; V97-H99 VanDerWaalsContact C-N 3.26Å; V97-H99 PolarHBondContact O-N 3.24Å; H99-Q101 PolarHBondContact O-N 2.61Å; H99-Y104 WeakPolarHBondContact O-CE2 3.12Å; H99-D187 HydrophobicContact CB-CB 4.39Å; H99-D187 VanDerWaalsContact CD2-CB 3.48Å; H99-D187 WeakPolarHBondContact CD2-CB 3.38Å; H99-D187 IonicContact CD2-OD2 3.85Å; H99-D187 IonicContact NE2-OD2 3.79Å
100	L	98.6	Very high	98.2	Very high	29 Å²	29	55.2 Å²	55.2	15%	0.152	28%	0.283	C	S	.	.			trans	-64.2	129.8	-178.7	-176.1	68	0	0	0	110.5	Y104 L105 D187 F188 P191 L192 Y196	L100-Y104 HydrophobicContact CD1-CD2 4.49Å; L100-L105 HydrophobicContact CD1-CD2 4.13Å; L100-L105 HydrophobicContact CD1-CG 4.47Å; L100-D187 PolarHBondContact N-O 3.34Å; L100-F188 HydrophobicContact CB-CD2 4.1Å; L100-F188 HydrophobicContact CB-CE2 4.49Å; L100-F188 HydrophobicContact CB-CG 4.34Å; L100-F188 HydrophobicContact CD1-CD2 4.27Å; L100-F188 HydrophobicContact CD1-CE1 4.33Å; L100-F188 HydrophobicContact CD1-CE2 3.85Å; L100-F188 HydrophobicContact CD1-CZ 3.88Å; L100-P191 HydrophobicContact CB-CB 4.43Å; L100-P191 HydrophobicContact CD2-CB 3.89Å; L100-L192 HydrophobicContact CD2-CB 4.05Å; L100-Y196 HydrophobicContact CD2-CD2 4.01Å; L100-Y196 HydrophobicContact CD2-CE2 3.69Å
101	Q	98.1	Very high	98.2	Very high	84 Å²	84	59.8 Å²	59.8	39%	0.393	31%	0.305	S	S	.	.			trans	-120.7	146.5	174.3	-57.7	-176	19.8	0	0	110.5	H99 S103 Y104	H99-Q101 PolarHBondContact O-N 2.61Å; Q101-S103 PolarHBondContact O-N 2.89Å; Q101-Y104 HydrophobicContact CB-CD1 3.97Å; Q101-Y104 HydrophobicContact CB-CD2 3.98Å; Q101-Y104 HydrophobicContact CB-CE1 3.82Å; Q101-Y104 HydrophobicContact CB-CE2 3.85Å; Q101-Y104 HydrophobicContact CB-CG 4.04Å; Q101-Y104 VanDerWaalsContact CD-CZ 3.49Å; Q101-Y104 HydrophobicContact CG-CD2 4.41Å; Q101-Y104 HydrophobicContact CG-CE1 4.05Å; Q101-Y104 HydrophobicContact CG-CE2 3.8Å; Q101-Y104 PolarHBondContact NE2-OH 2.92Å; Q101-Y104 WeakPolarHBondContact O-CB 3.23Å; Q101-Y104 PolarHBondContact O-N 2.8Å
102	D	97.6	Very high	98.3	Very high	90 Å²	90	52 Å²	52	48%	0.481	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-58.8	-29.6	177.4	-176.6	78.3	0	0	0	113	Y104 L105 K110	D102-Y104 PolarHBondContact O-N 2.77Å; D102-L105 PolarHBondContact O-N 3.46Å; D102-K110 PolarHBondContact O-NZ 2.93Å; D102-K110 WeakPolarHBondContact OD1-CD 3.49Å; D102-K110 IonicContact OD1-NZ 2.77Å; D102-K110 IonicContact OD2-NZ 3.57Å; D102-K110 PolarHBondContact OD2-NZ 2.81Å
103	S	98	Very high	98.3	Very high	71 Å²	71	50.6 Å²	50.6	50%	0.497	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-68.3	-17.5	176.9	55	0	0	0	0	113.7	Q101	Q101-S103 PolarHBondContact O-N 2.89Å
104	Y	98.4	Very high	98.2	Very high	11 Å²	11	49.3 Å²	49.3	4%	0.043	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-81.7	-20.9	178.5	-58.3	-12.6	0	0	0	112.2	H96 H99 L100 Q101 D102 F144 E145 F148 F188	H96-Y104 PolarHBondContact CD2-OH 3.19Å; H96-Y104 VanDerWaalsContact CD2-OH 3.26Å; H96-Y104 PolarHBondContact O-OH 3.23Å; H99-Y104 WeakPolarHBondContact O-CE2 3.12Å; L100-Y104 HydrophobicContact CD1-CD2 4.49Å; Q101-Y104 HydrophobicContact CB-CD1 3.97Å; Q101-Y104 HydrophobicContact CB-CD2 3.98Å; Q101-Y104 HydrophobicContact CB-CE1 3.82Å; Q101-Y104 HydrophobicContact CB-CE2 3.85Å; Q101-Y104 HydrophobicContact CB-CG 4.04Å; Q101-Y104 VanDerWaalsContact CD-CZ 3.49Å; Q101-Y104 HydrophobicContact CG-CD2 4.41Å; Q101-Y104 HydrophobicContact CG-CE1 4.05Å; Q101-Y104 HydrophobicContact CG-CE2 3.8Å; Q101-Y104 PolarHBondContact NE2-OH 2.92Å; Q101-Y104 WeakPolarHBondContact O-CB 3.23Å; Q101-Y104 PolarHBondContact O-N 2.8Å; D102-Y104 PolarHBondContact O-N 2.77Å; Y104-F144 CarbonylContact O-C 3.45Å; Y104-F144 VanDerWaalsContact O-CA 3.24Å; Y104-F144 WeakPolarHBondContact O-CA 3.03Å; Y104-E145 PolarHBondContact O-N 3.43Å; Y104-F148 HydrophobicContact CD1-CB 4.23Å; Y104-F148 AromaticContact CD1-CD2 3.57Å; Y104-F148 HydrophobicContact CD1-CD2 3.57Å; Y104-F148 HydrophobicContact CD1-CE2 4.3Å; Y104-F148 HydrophobicContact CD1-CG 4.07Å; Y104-F148 AromaticContact CD2-CD2 3.44Å; Y104-F148 HydrophobicContact CD2-CD2 3.44Å; Y104-F148 VanDerWaalsContact CD2-CD2 3.44Å; Y104-F148 AromaticContact CD2-CE2 3.32Å; Y104-F148 HydrophobicContact CD2-CE2 3.32Å; Y104-F148 HydrophobicContact CD2-CG 4.17Å; Y104-F148 AromaticContact CD2-CZ 3.96Å; Y104-F148 HydrophobicContact CD2-CZ 3.96Å; Y104-F148 AromaticContact CE1-CD2 3.97Å; Y104-F148 HydrophobicContact CE1-CD2 3.97Å; Y104-F148 AromaticContact CE2-CD2 3.83Å; Y104-F148 HydrophobicContact CE2-CD2 3.83Å; Y104-F148 AromaticContact CE2-CE2 3.56Å; Y104-F148 HydrophobicContact CE2-CE2 3.56Å; Y104-F148 HydrophobicContact CE2-CZ 4.47Å; Y104-F148 HydrophobicContact CG-CB 4.24Å; Y104-F148 HydrophobicContact CG-CD1 4.41Å; Y104-F148 AromaticContact CG-CD2 3.3Å; Y104-F148 HydrophobicContact CG-CD2 3.3Å; Y104-F148 AromaticContact CG-CE2 3.73Å; Y104-F148 HydrophobicContact CG-CE2 3.73Å; Y104-F148 AromaticContact CG-CG 3.7Å; Y104-F148 HydrophobicContact CG-CG 3.7Å; Y104-F148 HydrophobicContact CG-CZ 4.44Å; Y104-F188 HydrophobicContact CD2-CE2 4.07Å; Y104-F188 HydrophobicContact CE2-CE2 4.4Å
105	L	98.6	Very high	98.3	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-93.6	136.4	-170.6	-59.9	175.7	0	0	0	111.1	L100 D102 L109 K110 V143 F144 L192 Y196	L100-L105 HydrophobicContact CD1-CD2 4.13Å; L100-L105 HydrophobicContact CD1-CG 4.47Å; D102-L105 PolarHBondContact O-N 3.46Å; L105-L109 HydrophobicContact CB-CD2 4.47Å; L105-L109 HydrophobicContact CD2-CD2 3.97Å; L105-K110 HydrophobicContact CB-CD 4.31Å; L105-K110 HydrophobicContact CB-CG 4.27Å; L105-V143 WeakPolarHBondContact CA-O 3.48Å; L105-F144 HydrophobicContact CD2-CD1 3.91Å; L105-F144 HydrophobicContact CD2-CE1 3.81Å; L105-L192 HydrophobicContact CD2-CD1 4.15Å; L105-Y196 HydrophobicContact CD1-CD1 3.59Å; L105-Y196 HydrophobicContact CD1-CD2 3.87Å; L105-Y196 HydrophobicContact CD1-CE1 3.17Å; L105-Y196 HydrophobicContact CD1-CE2 3.46Å; L105-Y196 VanDerWaalsContact CD1-CE2 3.46Å; L105-Y196 HydrophobicContact CD1-CG 3.92Å; L105-Y196 WeakPolarHBondContact CD1-OH 3.33Å
106	A	98.4	Very high	98.2	Very high	9 Å²	9	44.9 Å²	44.9	7%	0.074	24%	0.238	C	C	.	.			trans	-62.8	140.4	178.4	0	0	0	0	0	110.7	K108 L109 K110 P142 V143	A106-K108 PolarHBondContact O-N 3.43Å; A106-K108 VanDerWaalsContact O-N 3.13Å; A106-L109 WeakPolarHBondContact O-CB 3.32Å; A106-L109 PolarHBondContact O-N 3.32Å; A106-K110 PolarHBondContact O-N 2.9Å; A106-P142 HydrophobicContact CB-CB 4.09Å; A106-P142 VanDerWaalsContact CB-O 3.31Å; A106-P142 WeakPolarHBondContact CB-O 3.45Å; A106-V143 PolarHBondContact N-O 3.38Å
107	P	98.4	Very high	98.1	Very high	69 Å²	69	46.3 Å²	46.3	45%	0.448	26%	0.255	S	S	.	.	H	α-helix	trans	-53.6	-36.9	179.8	-30	32.8	0	0	0	113.6	K110 Q111 E145	P107-K110 PolarHBondContact O-N 3.28Å; P107-Q111 WeakPolarHBondContact O-CG 3.44Å; P107-Q111 PolarHBondContact O-N 3.5Å; P107-E145 WeakPolarHBondContact CD-OE1 3.27Å
108	K	98.1	Very high	98	Very high	73 Å²	73	48.8 Å²	48.8	32%	0.317	27%	0.272	S	S	.	.	H	α-helix	trans	-68.5	-36.2	179.7	178.4	65.3	175.8	-176.8	0	112.3	A106 K110 Q111 L112 L129 P142	A106-K108 PolarHBondContact O-N 3.43Å; A106-K108 VanDerWaalsContact O-N 3.13Å; K108-K110 VanDerWaalsContact C-N 3.32Å; K108-K110 PolarHBondContact O-N 2.92Å; K108-Q111 WeakPolarHBondContact O-CB 3.05Å; K108-Q111 PolarHBondContact O-N 3.12Å; K108-L112 HydrophobicContact CG-CD1 4.45Å; K108-L112 VanDerWaalsContact O-CG 3.28Å; K108-L112 WeakPolarHBondContact O-CG 3.49Å; K108-L112 PolarHBondContact O-N 3.25Å; K108-L129 VanDerWaalsContact CE-O 3.32Å; K108-L129 WeakPolarHBondContact CE-O 2.97Å; K108-L129 PolarHBondContact NZ-O 2.79Å; K108-P142 HydrophobicContact CB-CG 3.57Å; K108-P142 HydrophobicContact CG-CG 3.54Å
109	L	98.5	Very high	97.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-58.9	-46.7	171.3	-179.7	65.8	0	0	0	110.8	L105 A106 Q111 L112 V113 P142 V143 Y196 L200	L105-L109 HydrophobicContact CB-CD2 4.47Å; L105-L109 HydrophobicContact CD2-CD2 3.97Å; A106-L109 WeakPolarHBondContact O-CB 3.32Å; A106-L109 PolarHBondContact O-N 3.32Å; L109-Q111 VanDerWaalsContact C-N 3.28Å; L109-Q111 PolarHBondContact O-N 3.02Å; L109-L112 WeakPolarHBondContact O-CB 3.21Å; L109-L112 PolarHBondContact O-N 3.25Å; L109-L112 VanDerWaalsContact O-N 3.11Å; L109-V113 HydrophobicContact CD1-CG2 4.41Å; L109-V113 HydrophobicContact CG-CG2 4.47Å; L109-V113 WeakPolarHBondContact O-CG2 3.36Å; L109-V113 PolarHBondContact O-N 3.36Å; L109-P142 WeakPolarHBondContact CB-O 3.14Å; L109-V143 HydrophobicContact CD2-CG1 4.25Å; L109-Y196 HydrophobicContact CD2-CD1 4.46Å; L109-L200 HydrophobicContact CD1-CD1 3.78Å
110	K	98.3	Very high	97.5	Very high	56 Å²	56	55.1 Å²	55.1	24%	0.243	32%	0.32	C	S	.	.	H	α-helix	trans	-61.6	-38.1	179.6	-62.1	-171.8	-72.4	-160.3	0	111.9	D102 L105 A106 P107 K108 V113 A114 Y196	D102-K110 PolarHBondContact O-NZ 2.93Å; D102-K110 WeakPolarHBondContact OD1-CD 3.49Å; D102-K110 IonicContact OD1-NZ 2.77Å; D102-K110 IonicContact OD2-NZ 3.57Å; D102-K110 PolarHBondContact OD2-NZ 2.81Å; L105-K110 HydrophobicContact CB-CD 4.31Å; L105-K110 HydrophobicContact CB-CG 4.27Å; A106-K110 PolarHBondContact O-N 2.9Å; P107-K110 PolarHBondContact O-N 3.28Å; K108-K110 VanDerWaalsContact C-N 3.32Å; K108-K110 PolarHBondContact O-N 2.92Å; K110-V113 PolarHBondContact O-N 3.05Å; K110-A114 VanDerWaalsContact O-CB 3.31Å; K110-A114 WeakPolarHBondContact O-CB 3.42Å; K110-A114 PolarHBondContact O-N 3.22Å; K110-Y196 HydrophobicContact CG-CE1 4.44Å
111	Q	98.2	Very high	97.4	Very high	116 Å²	116	55 Å²	55	54%	0.542	32%	0.322	S	S	.	.	H	α-helix	trans	-63.6	-43.5	172.8	-70.3	170.3	5.4	0	0	112.6	P107 K108 L109 A114 Y115	P107-Q111 WeakPolarHBondContact O-CG 3.44Å; P107-Q111 PolarHBondContact O-N 3.5Å; K108-Q111 WeakPolarHBondContact O-CB 3.05Å; K108-Q111 PolarHBondContact O-N 3.12Å; L109-Q111 VanDerWaalsContact C-N 3.28Å; L109-Q111 PolarHBondContact O-N 3.02Å; Q111-A114 PolarHBondContact O-N 3.15Å; Q111-Y115 PolarHBondContact O-N 3.01Å
112	L	98.4	Very high	97.4	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-63.4	-42.8	177.7	-65.8	167.5	0	0	0	111.3	K108 L109 Y115 C116 L126 L129 L130 L141 L200	K108-L112 HydrophobicContact CG-CD1 4.45Å; K108-L112 VanDerWaalsContact O-CG 3.28Å; K108-L112 WeakPolarHBondContact O-CG 3.49Å; K108-L112 PolarHBondContact O-N 3.25Å; L109-L112 WeakPolarHBondContact O-CB 3.21Å; L109-L112 PolarHBondContact O-N 3.25Å; L109-L112 VanDerWaalsContact O-N 3.11Å; L112-Y115 WeakPolarHBondContact O-CB 3.36Å; L112-Y115 PolarHBondContact O-N 3.13Å; L112-C116 PolarHBondContact O-N 2.8Å; L112-C116 PolarHBondContact O-SG 3.2Å; L112-C116 VanDerWaalsContact O-SG 3.37Å; L112-L126 HydrophobicContact CB-CD1 4.34Å; L112-L126 HydrophobicContact CD2-CD1 3.81Å; L112-L129 HydrophobicContact CD2-CB 3.65Å; L112-L129 HydrophobicContact CD2-CD1 4.26Å; L112-L130 HydrophobicContact CD1-CD2 3.69Å; L112-L130 HydrophobicContact CD2-CD2 4.06Å; L112-L130 HydrophobicContact CD2-CG 4.41Å; L112-L141 HydrophobicContact CD1-CD2 4.07Å; L112-L200 HydrophobicContact CB-CD2 3.8Å
113	V	98.1	Very high	97.4	Very high	17 Å²	17	52.3 Å²	52.3	10%	0.103	31%	0.312	C	S	.	.	H	α-helix	trans	-66.2	-40	176.8	173.5	0	0	0	0	111.8	L109 K110 Y115 C116 S117 H195 Y196 P199 L200	L109-V113 HydrophobicContact CD1-CG2 4.41Å; L109-V113 HydrophobicContact CG-CG2 4.47Å; L109-V113 WeakPolarHBondContact O-CG2 3.36Å; L109-V113 PolarHBondContact O-N 3.36Å; K110-V113 PolarHBondContact O-N 3.05Å; V113-Y115 VanDerWaalsContact C-N 3.32Å; V113-Y115 PolarHBondContact O-N 2.85Å; V113-C116 WeakPolarHBondContact O-CB 3.32Å; V113-C116 PolarHBondContact O-N 2.83Å; V113-S117 PolarHBondContact O-N 3.47Å; V113-S117 PolarHBondContact O-OG 3.5Å; V113-S117 VanDerWaalsContact O-OG 3.08Å; V113-H195 WeakPolarHBondContact CG1-O 3.2Å; V113-Y196 HydrophobicContact CG2-CD1 4.11Å; V113-Y196 WeakPolarHBondContact CG2-O 3.44Å; V113-P199 HydrophobicContact CG1-CG 4.39Å; V113-L200 HydrophobicContact CG2-CG 4.4Å
114	A	98.1	Very high	97.3	Very high	63 Å²	63	54.8 Å²	54.8	52%	0.521	32%	0.316	S	S	.	.	H	α-helix	trans	-62.3	-39.9	173.6	0	0	0	0	0	111.6	K110 Q111 S117 S118	K110-A114 VanDerWaalsContact O-CB 3.31Å; K110-A114 WeakPolarHBondContact O-CB 3.42Å; K110-A114 PolarHBondContact O-N 3.22Å; Q111-A114 PolarHBondContact O-N 3.15Å; A114-S117 PolarHBondContact O-N 3.12Å; A114-S118 PolarHBondContact O-N 2.9Å
115	Y	98.4	Very high	97.3	Very high	50 Å²	50	55 Å²	55	20%	0.196	32%	0.321	C	S	.	.	H	α-helix	trans	-59.7	-46.9	172.4	170.4	-90.4	0	0	0	111.4	Q111 L112 V113 S117 S118 A121 C122 G125 L126 L129 L203	Q111-Y115 PolarHBondContact O-N 3.01Å; L112-Y115 WeakPolarHBondContact O-CB 3.36Å; L112-Y115 PolarHBondContact O-N 3.13Å; V113-Y115 VanDerWaalsContact C-N 3.32Å; V113-Y115 PolarHBondContact O-N 2.85Å; Y115-S117 PolarHBondContact O-N 3.29Å; Y115-S118 VanDerWaalsContact O-CB 3.32Å; Y115-S118 WeakPolarHBondContact O-CB 3.5Å; Y115-S118 PolarHBondContact O-N 3.34Å; Y115-S118 PolarHBondContact O-OG 2.81Å; Y115-A121 HydrophobicContact CE1-CB 4.2Å; Y115-A121 VanDerWaalsContact O-CB 3.26Å; Y115-A121 WeakPolarHBondContact O-CB 3.36Å; Y115-C122 PolarHBondContact OH-N 3.19Å; Y115-C122 PolarHBondContact OH-O 3.34Å; Y115-G125 VanDerWaalsContact OH-C 3.3Å; Y115-G125 WeakPolarHBondContact OH-CA 3.39Å; Y115-L126 HydrophobicContact CD1-CB 4.15Å; Y115-L126 HydrophobicContact CD1-CD1 4.05Å; Y115-L126 HydrophobicContact CE1-CB 3.71Å; Y115-L126 HydrophobicContact CE1-CD1 4.48Å; Y115-L126 PolarHBondContact OH-N 2.89Å; Y115-L129 HydrophobicContact CD1-CD1 4.16Å; Y115-L129 HydrophobicContact CD2-CD1 3.89Å; Y115-L129 HydrophobicContact CE2-CD1 4.4Å; Y115-L129 HydrophobicContact CG-CD1 3.75Å; Y115-L203 HydrophobicContact CE1-CD1 4.43Å
116	C	97.6	Very high	97.2	Very high	22 Å²	22	54.9 Å²	54.9	15%	0.149	32%	0.321	C	S	.	.	H	α-helix	trans	-58.8	-21.2	177	-68.2	0	0	0	0	114	L112 V113 P199 L203	L112-C116 PolarHBondContact O-N 2.8Å; L112-C116 PolarHBondContact O-SG 3.2Å; L112-C116 VanDerWaalsContact O-SG 3.37Å; V113-C116 WeakPolarHBondContact O-CB 3.32Å; V113-C116 PolarHBondContact O-N 2.83Å; C116-P199 HydrophobicContact CB-CB 3.78Å; C116-P199 PolarHBondContact SG-O 2.98Å; C116-L203 HydrophobicContact CB-CD1 4.25Å
117	S	94.3	Very high	97.1	Very high	93 Å²	93	57 Å²	57	65%	0.65	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-3	178.8	-53.4	0	0	0	0	113.2	V113 A114 Y115	V113-S117 PolarHBondContact O-N 3.47Å; V113-S117 PolarHBondContact O-OG 3.5Å; V113-S117 VanDerWaalsContact O-OG 3.08Å; A114-S117 PolarHBondContact O-N 3.12Å; Y115-S117 PolarHBondContact O-N 3.29Å
118	S	96.4	Very high	97	Very high	52 Å²	52	61.7 Å²	61.7	36%	0.364	35%	0.349	S	S	.	.	S	Bend	trans	-79.3	156.9	179	73.5	0	0	0	0	112.1	A114 Y115 D120 A121	A114-S118 PolarHBondContact O-N 2.9Å; Y115-S118 VanDerWaalsContact O-CB 3.32Å; Y115-S118 WeakPolarHBondContact O-CB 3.5Å; Y115-S118 PolarHBondContact O-N 3.34Å; Y115-S118 PolarHBondContact O-OG 2.81Å; S118-D120 PolarHBondContact O-N 2.98Å; S118-A121 WeakPolarHBondContact O-CB 3.36Å; S118-A121 PolarHBondContact O-N 2.89Å
119	S	93.3	Very high	96.9	Very high	116 Å²	116	61.5 Å²	61.5	81%	0.811	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-28.4	-177.8	52.8	0	0	0	0	113.9
120	D	93.8	Very high	96.9	Very high	135 Å²	135	62.6 Å²	62.6	72%	0.722	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	12.8	-174.3	-54.4	-30.7	0	0	0	111.8	S118 C122	S118-D120 PolarHBondContact O-N 2.98Å; D120-C122 PolarHBondContact O-N 2.76Å
121	A	97.2	Very high	96.7	Very high	25 Å²	25	63.9 Å²	63.9	21%	0.207	36%	0.363	C	S	.	.			trans	-65.1	117.9	-176.9	0	0	0	0	0	111.6	Y115 S118 L203	Y115-A121 HydrophobicContact CE1-CB 4.2Å; Y115-A121 VanDerWaalsContact O-CB 3.26Å; Y115-A121 WeakPolarHBondContact O-CB 3.36Å; S118-A121 WeakPolarHBondContact O-CB 3.36Å; S118-A121 PolarHBondContact O-N 2.89Å; A121-L203 HydrophobicContact CB-CD1 4.09Å
122	C	97.5	Very high	96.5	Very high	49 Å²	49	65.1 Å²	65.1	33%	0.331	37%	0.374	S	S	.	.			trans	-130.5	168.5	171.5	73.1	0	0	0	0	112.2	Y115 D120 E124 G125 L126	Y115-C122 PolarHBondContact OH-N 3.19Å; Y115-C122 PolarHBondContact OH-O 3.34Å; D120-C122 PolarHBondContact O-N 2.76Å; C122-E124 VanDerWaalsContact C-N 3.34Å; C122-E124 WeakPolarHBondContact CB-OE2 3.25Å; C122-E124 PolarHBondContact O-N 2.92Å; C122-E124 PolarHBondContact SG-OE2 3.37Å; C122-G125 PolarHBondContact SG-N 3.29Å; C122-G125 VanDerWaalsContact SG-N 3.43Å; C122-L126 PolarHBondContact O-N 2.87Å; C122-L126 VanDerWaalsContact O-N 3.09Å
123	E	96.7	Very high	96.4	Very high	70 Å²	70	65.9 Å²	65.9	33%	0.327	38%	0.378	S	S	.	.	H	α-helix	trans	-59.6	-43.7	179.1	-178.9	179.1	175	0	0	111.5	L126 T127	E123-L126 PolarHBondContact O-N 3.15Å; E123-T127 WeakPolarHBondContact O-CB 3.34Å; E123-T127 PolarHBondContact O-N 2.8Å; E123-T127 PolarHBondContact O-OG1 2.82Å
124	E	96.6	Very high	96.1	Very high	122 Å²	122	67.3 Å²	67.3	57%	0.57	40%	0.397	S	S	*	.	H	α-helix	trans	-62.1	-51.3	-177.9	-60.8	76.9	-170.1	0	0	110.8	C122 L126 T127 E128	C122-E124 VanDerWaalsContact C-N 3.34Å; C122-E124 WeakPolarHBondContact CB-OE2 3.25Å; C122-E124 PolarHBondContact O-N 2.92Å; C122-E124 PolarHBondContact SG-OE2 3.37Å; E124-L126 VanDerWaalsContact C-N 3.32Å; E124-L126 PolarHBondContact O-N 3.38Å; E124-T127 WeakPolarHBondContact O-CB 3.28Å; E124-T127 PolarHBondContact O-N 3.3Å; E124-T127 VanDerWaalsContact O-N 3.14Å; E124-E128 WeakPolarHBondContact O-CG 3.37Å; E124-E128 PolarHBondContact O-N 2.94Å
125	G	97.4	Very high	96	Very high	15 Å²	15	64.6 Å²	64.6	16%	0.155	37%	0.374	C	S	.	.	H	α-helix	trans	-68.4	-28.7	-179.9	0	0	0	0	0	113.4	Y115 C122 L129	Y115-G125 VanDerWaalsContact OH-C 3.3Å; Y115-G125 WeakPolarHBondContact OH-CA 3.39Å; C122-G125 PolarHBondContact SG-N 3.29Å; C122-G125 VanDerWaalsContact SG-N 3.43Å; G125-L129 WeakPolarHBondContact O-CG 3.12Å
126	L	97.8	Very high	95.7	Very high	0 Å²	0	67 Å²	67	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-68	-42.6	170.7	-179.5	56.9	0	0	0	110.9	L112 Y115 C122 E123 E124 E128 L129 L130 L200 L203 L204	L112-L126 HydrophobicContact CB-CD1 4.34Å; L112-L126 HydrophobicContact CD2-CD1 3.81Å; Y115-L126 HydrophobicContact CD1-CB 4.15Å; Y115-L126 HydrophobicContact CD1-CD1 4.05Å; Y115-L126 HydrophobicContact CE1-CB 3.71Å; Y115-L126 HydrophobicContact CE1-CD1 4.48Å; Y115-L126 PolarHBondContact OH-N 2.89Å; C122-L126 PolarHBondContact O-N 2.87Å; C122-L126 VanDerWaalsContact O-N 3.09Å; E123-L126 PolarHBondContact O-N 3.15Å; E124-L126 VanDerWaalsContact C-N 3.32Å; E124-L126 PolarHBondContact O-N 3.38Å; L126-E128 VanDerWaalsContact C-N 3.32Å; L126-E128 PolarHBondContact O-N 3.45Å; L126-L129 WeakPolarHBondContact O-CB 2.94Å; L126-L129 PolarHBondContact O-N 2.8Å; L126-L129 VanDerWaalsContact O-N 3.09Å; L126-L130 HydrophobicContact CD1-CD1 4.47Å; L126-L130 HydrophobicContact CG-CD1 4.15Å; L126-L130 WeakPolarHBondContact O-CG 3.27Å; L126-L200 HydrophobicContact CD1-CD2 4.08Å; L126-L200 HydrophobicContact CD2-CD2 4.14Å; L126-L203 HydrophobicContact CB-CD1 4.47Å; L126-L203 HydrophobicContact CD2-CB 4.05Å; L126-L203 HydrophobicContact CD2-CD1 4.14Å; L126-L204 HydrophobicContact CD2-CD1 3.95Å; L126-L204 HydrophobicContact CD2-CD2 3.73Å; L126-L204 HydrophobicContact CD2-CG 3.65Å; L126-L204 HydrophobicContact CG-CD2 4.11Å
127	T	96.1	Very high	95.6	Very high	54 Å²	54	69.1 Å²	69.1	33%	0.331	40%	0.401	S	S	.	.	H	α-helix	trans	-64	-38	-179.8	-56.9	0	0	0	0	111.4	E123 E124 L129 L130 Y139	E123-T127 WeakPolarHBondContact O-CB 3.34Å; E123-T127 PolarHBondContact O-N 2.8Å; E123-T127 PolarHBondContact O-OG1 2.82Å; E124-T127 WeakPolarHBondContact O-CB 3.28Å; E124-T127 PolarHBondContact O-N 3.3Å; E124-T127 VanDerWaalsContact O-N 3.14Å; T127-L129 PolarHBondContact O-N 2.96Å; T127-L130 PolarHBondContact O-N 2.93Å; T127-L130 VanDerWaalsContact O-N 3.09Å; T127-Y139 HydrophobicContact CG2-CE1 4.28Å
128	E	96.2	Very high	95.8	Very high	166 Å²	166	64.9 Å²	64.9	78%	0.776	37%	0.371	S	S	*	.	H	α-helix	trans	-61.3	-23.5	173.5	-73.2	179.3	-177.9	0	0	113.7	E124 L126	E124-E128 WeakPolarHBondContact O-CG 3.37Å; E124-E128 PolarHBondContact O-N 2.94Å; L126-E128 VanDerWaalsContact C-N 3.32Å; L126-E128 PolarHBondContact O-N 3.45Å
129	L	96.9	Very high	95.9	Very high	69 Å²	69	63.4 Å²	63.4	36%	0.361	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-7.8	178	-64.9	172.5	0	0	0	113.7	K108 L112 Y115 G125 L126 T127	K108-L129 VanDerWaalsContact CE-O 3.32Å; K108-L129 WeakPolarHBondContact CE-O 2.97Å; K108-L129 PolarHBondContact NZ-O 2.79Å; L112-L129 HydrophobicContact CD2-CB 3.65Å; L112-L129 HydrophobicContact CD2-CD1 4.26Å; Y115-L129 HydrophobicContact CD1-CD1 4.16Å; Y115-L129 HydrophobicContact CD2-CD1 3.89Å; Y115-L129 HydrophobicContact CE2-CD1 4.4Å; Y115-L129 HydrophobicContact CG-CD1 3.75Å; G125-L129 WeakPolarHBondContact O-CG 3.12Å; L126-L129 WeakPolarHBondContact O-CB 2.94Å; L126-L129 PolarHBondContact O-N 2.8Å; L126-L129 VanDerWaalsContact O-N 3.09Å; T127-L129 PolarHBondContact O-N 2.96Å
130	L	96.8	Very high	96.1	Very high	23 Å²	23	58.6 Å²	58.6	12%	0.12	32%	0.322	C	S	.	.	S	Bend	trans	-106.2	154.2	-174.7	-66.7	167.6	0	0	0	111	L112 L126 T127 Y139 L141 L204	L112-L130 HydrophobicContact CD1-CD2 3.69Å; L112-L130 HydrophobicContact CD2-CD2 4.06Å; L112-L130 HydrophobicContact CD2-CG 4.41Å; L126-L130 HydrophobicContact CD1-CD1 4.47Å; L126-L130 HydrophobicContact CG-CD1 4.15Å; L126-L130 WeakPolarHBondContact O-CG 3.27Å; T127-L130 PolarHBondContact O-N 2.93Å; T127-L130 VanDerWaalsContact O-N 3.09Å; L130-Y139 HydrophobicContact CD1-CD1 3.78Å; L130-Y139 HydrophobicContact CD1-CG 4.11Å; L130-L141 HydrophobicContact CD2-CD2 3.65Å; L130-L204 HydrophobicContact CD1-CD1 4.37Å; L130-L204 HydrophobicContact CD1-CD2 4.42Å
131	E	95.2	Very high	96.3	Very high	83 Å²	83	52.1 Å²	52.1	39%	0.388	29%	0.287	S	S	.	.			trans	-73.8	133.3	172.4	-175.6	-173.5	165.4	0	0	109.7	V133 R140 R276	E131-V133 PolarHBondContact O-N 3.12Å; E131-R140 IonicContact OE1-NH1 2.67Å; E131-R140 PolarHBondContact OE1-NH1 2.82Å; E131-R140 VanDerWaalsContact OE2-CD 3.27Å; E131-R140 WeakPolarHBondContact OE2-CD 3.29Å; E131-R140 IonicContact OE2-NH1 2.68Å; E131-R140 PolarHBondContact OE2-NH1 3.23Å; E131-R140 VanDerWaalsContact OE2-NH1 3.15Å; E131-R276 IonicContact OE1-CZ 3.85Å; E131-R276 IonicContact OE1-NH1 2.73Å; E131-R276 PolarHBondContact OE1-NH1 3.4Å; E131-R276 IonicContact OE1-NH2 3.33Å; E131-R276 PolarHBondContact OE1-NH2 3.22Å; E131-R276 IonicContact OE2-CZ 3.95Å; E131-R276 IonicContact OE2-NH1 2.94Å; E131-R276 PolarHBondContact OE2-NH1 3.23Å; E131-R276 IonicContact OE2-NH2 2.61Å
132	D	93.7	Very high	96.2	Very high	142 Å²	142	52.4 Å²	52.4	76%	0.759	29%	0.287	S	S	*	.			trans	-72.3	118.7	167.3	-176.2	2.4	0	0	0	109.7	G134	D132-G134 PolarHBondContact OD1-N 2.96Å
133	V	95.6	Very high	96.3	Very high	17 Å²	17	50.1 Å²	50.1	10%	0.103	27%	0.271	C	S	.	.			trans	-100.2	4.9	-179.2	-50.3	0	0	0	0	112.9	E131 A135 V138 R140 V273	E131-V133 PolarHBondContact O-N 3.12Å; V133-A135 HydrophobicContact CG2-CB 4.22Å; V133-A135 PolarHBondContact O-N 2.94Å; V133-V138 HydrophobicContact CG2-CB 4.06Å; V133-V138 HydrophobicContact CG2-CG1 4.11Å; V133-V138 WeakPolarHBondContact CG2-O 3.44Å; V133-R140 HydrophobicContact CG1-CB 3.72Å; V133-R140 VanDerWaalsContact CG1-NH1 3.25Å; V133-V273 HydrophobicContact CB-CG1 3.93Å; V133-V273 HydrophobicContact CG1-CG1 4.49Å; V133-V273 HydrophobicContact CG2-CG1 4.21Å; V133-V273 HydrophobicContact CG2-CG2 4.28Å
134	G	93.3	Very high	96.3	Very high	48 Å²	48	46.9 Å²	46.9	50%	0.495	26%	0.256	S	S	.	.	S	Bend	trans	77	-25.8	-179.4	0	0	0	0	0	114.8	D132	D132-G134 PolarHBondContact OD1-N 2.96Å
135	A	94.3	Very high	96.4	Very high	5 Å²	5	44.6 Å²	44.6	4%	0.041	25%	0.245	C	C	.	.	S	Bend	trans	-82.9	121.7	176.7	0	0	0	0	0	110.7	V133 R137 V138 F257 T271 V273	V133-A135 HydrophobicContact CG2-CB 4.22Å; V133-A135 PolarHBondContact O-N 2.94Å; A135-R137 PolarHBondContact O-N 2.81Å; A135-V138 HydrophobicContact CB-CB 3.88Å; A135-V138 HydrophobicContact CB-CG2 3.77Å; A135-V138 PolarHBondContact O-N 2.84Å; A135-F257 HydrophobicContact CB-CB 4.22Å; A135-F257 HydrophobicContact CB-CD2 4.48Å; A135-T271 HydrophobicContact CB-CG2 3.94Å; A135-V273 HydrophobicContact CB-CG2 3.65Å
136	P	93.4	Very high	96.4	Very high	100 Å²	100	50 Å²	50	65%	0.649	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	130.4	-178.1	-26.4	34.6	0	0	0	112.6	V138 H287	P136-V138 PolarHBondContact O-N 3.16Å; P136-H287 PolarHBondContact O-CE1 2.88Å; P136-H287 VanDerWaalsContact O-CE1 3.25Å
137	R	95.1	Very high	96.4	Very high	67 Å²	67	53.1 Å²	53.1	25%	0.253	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	37.7	178.1	-53.1	-174.7	69.4	-169.6	-0.4	113.1	A135 Y139 L204 Y205 D207 R284 H287	A135-R137 PolarHBondContact O-N 2.81Å; R137-Y139 HydrophobicContact CB-CE2 4.5Å; R137-L204 PolarHBondContact NH2-O 3.4Å; R137-Y205 HydrophobicContact CB-CE1 4.29Å; R137-Y205 PolarHBondContact O-OH 2.98Å; R137-D207 IonicContact CZ-OD1 3.2Å; R137-D207 IonicContact CZ-OD2 2.92Å; R137-D207 IonicContact NH1-OD1 2.83Å; R137-D207 PolarHBondContact NH1-OD1 2.96Å; R137-D207 IonicContact NH1-OD2 3.31Å; R137-D207 PolarHBondContact NH1-OD2 3.41Å; R137-D207 IonicContact NH2-OD1 2.67Å; R137-D207 PolarHBondContact NH2-OD1 2.98Å; R137-D207 IonicContact NH2-OD2 3.77Å; R137-R284 VanDerWaalsContact NH1-NH1 3.16Å; R137-H287 PolarHBondContact O-CE1 3.36Å
138	V	98	Very high	96.5	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.03	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.8	165.8	179.4	0	0	0	0	106.3	V133 A135 P136 F257 L281 H283	V133-V138 HydrophobicContact CG2-CB 4.06Å; V133-V138 HydrophobicContact CG2-CG1 4.11Å; V133-V138 WeakPolarHBondContact CG2-O 3.44Å; A135-V138 HydrophobicContact CB-CB 3.88Å; A135-V138 HydrophobicContact CB-CG2 3.77Å; A135-V138 PolarHBondContact O-N 2.84Å; P136-V138 PolarHBondContact O-N 3.16Å; V138-F257 HydrophobicContact CG1-CD2 4.38Å; V138-F257 HydrophobicContact CG1-CE1 4.36Å; V138-F257 HydrophobicContact CG1-CE2 4.07Å; V138-F257 HydrophobicContact CG1-CZ 4.05Å; V138-F257 HydrophobicContact CG2-CB 4.36Å; V138-F257 HydrophobicContact CG2-CD1 3.82Å; V138-F257 HydrophobicContact CG2-CD2 4.36Å; V138-F257 HydrophobicContact CG2-CE1 4.21Å; V138-F257 HydrophobicContact CG2-CG 3.91Å; V138-L281 HydrophobicContact CG1-CB 4.24Å; V138-L281 HydrophobicContact CG1-CD1 4.43Å; V138-H283 HydrophobicContact CG1-CB 4.41Å; V138-H283 HydrophobicContact CG2-CB 4.06Å
139	Y	98.3	Very high	96.6	Very high	21 Å²	21	42.7 Å²	42.7	8%	0.082	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.4	-174.1	-55.6	-76.8	0	0	0	110.8	T127 L130 R137 L204 Y205 L281 L282	T127-Y139 HydrophobicContact CG2-CE1 4.28Å; L130-Y139 HydrophobicContact CD1-CD1 3.78Å; L130-Y139 HydrophobicContact CD1-CG 4.11Å; R137-Y139 HydrophobicContact CB-CE2 4.5Å; Y139-L204 HydrophobicContact CD1-CD2 4.4Å; Y139-L204 HydrophobicContact CD2-CB 4.24Å; Y139-L204 HydrophobicContact CD2-CD1 3.67Å; Y139-L204 HydrophobicContact CD2-CD2 4.18Å; Y139-L204 HydrophobicContact CD2-CG 4.23Å; Y139-L204 HydrophobicContact CE1-CD2 4.03Å; Y139-L204 HydrophobicContact CE2-CB 3.8Å; Y139-L204 HydrophobicContact CE2-CD1 4.03Å; Y139-L204 HydrophobicContact CE2-CD2 3.8Å; Y139-L204 HydrophobicContact CE2-CG 4.07Å; Y139-L204 HydrophobicContact CG-CD1 4.03Å; Y139-L204 HydrophobicContact CG-CD2 4.47Å; Y139-Y205 HydrophobicContact CD2-CE2 4.27Å; Y139-Y205 AromaticContact CD2-CZ 3.77Å; Y139-Y205 WeakPolarHBondContact CD2-OH 3.35Å; Y139-Y205 HydrophobicContact CE2-CE1 4.07Å; Y139-Y205 HydrophobicContact CE2-CE2 4.37Å; Y139-Y205 AromaticContact CE2-CZ 3.68Å; Y139-Y205 VanDerWaalsContact CE2-OH 3.32Å; Y139-Y205 WeakPolarHBondContact CE2-OH 3.24Å; Y139-L281 WeakPolarHBondContact O-CA 3.42Å; Y139-L282 PolarHBondContact N-O 3.43Å; Y139-L282 PolarHBondContact O-N 3.33Å
140	R	98.1	Very high	96.6	Very high	14 Å²	14	44.2 Å²	44.2	5%	0.053	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	129.5	174.2	177.5	178.5	-77.1	127.5	7.5	110.5	E131 V133 V273 E274 E279 G280 L281	E131-R140 IonicContact OE1-NH1 2.67Å; E131-R140 PolarHBondContact OE1-NH1 2.82Å; E131-R140 VanDerWaalsContact OE2-CD 3.27Å; E131-R140 WeakPolarHBondContact OE2-CD 3.29Å; E131-R140 IonicContact OE2-NH1 2.68Å; E131-R140 PolarHBondContact OE2-NH1 3.23Å; E131-R140 VanDerWaalsContact OE2-NH1 3.15Å; V133-R140 HydrophobicContact CG1-CB 3.72Å; V133-R140 VanDerWaalsContact CG1-NH1 3.25Å; R140-V273 VanDerWaalsContact NH2-CG1 3.25Å; R140-E274 PolarHBondContact NH2-O 3.23Å; R140-E279 WeakPolarHBondContact CD-OE2 3.44Å; R140-E279 HydrophobicContact CG-CB 4.33Å; R140-E279 WeakPolarHBondContact CG-OE2 3.46Å; R140-E279 IonicContact NE-OE2 3.78Å; R140-G280 CarbonylContact C-O 3.58Å; R140-G280 WeakPolarHBondContact CA-O 3.39Å; R140-L281 HydrophobicContact CB-CD2 3.92Å; R140-L281 HydrophobicContact CG-CD2 4.35Å
141	L	97.5	Very high	96.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.8	-179.3	-57.6	179.5	0	0	0	109.3	L112 L130 V143 L200 L242 E279 G280 L282	L112-L141 HydrophobicContact CD1-CD2 4.07Å; L130-L141 HydrophobicContact CD2-CD2 3.65Å; L141-V143 HydrophobicContact CB-CG2 3.95Å; L141-V143 WeakPolarHBondContact O-CG2 3.23Å; L141-V143 PolarHBondContact O-N 3.2Å; L141-V143 VanDerWaalsContact O-N 3.12Å; L141-L200 HydrophobicContact CD1-CD1 3.79Å; L141-L200 HydrophobicContact CD2-CD1 4.23Å; L141-L242 HydrophobicContact CD1-CD1 4.25Å; L141-E279 CarbonylContact O-C 3.57Å; L141-E279 VanDerWaalsContact O-CA 3.25Å; L141-E279 WeakPolarHBondContact O-CA 3.49Å; L141-G280 PolarHBondContact N-O 3.44Å; L141-G280 PolarHBondContact O-N 3.47Å; L141-L282 HydrophobicContact CD1-CB 3.82Å; L141-L282 HydrophobicContact CD1-CD2 4.09Å; L141-L282 HydrophobicContact CD1-CG 4.38Å; L141-L282 HydrophobicContact CG-CB 4.33Å
142	P	96.6	Very high	96.9	Very high	31 Å²	31	41.8 Å²	41.8	20%	0.201	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	101.4	164.4	29.3	-30.6	0	0	0	107.6	A106 K108 L109	A106-P142 HydrophobicContact CB-CB 4.09Å; A106-P142 VanDerWaalsContact CB-O 3.31Å; A106-P142 WeakPolarHBondContact CB-O 3.45Å; K108-P142 HydrophobicContact CB-CG 3.57Å; K108-P142 HydrophobicContact CG-CG 3.54Å; L109-P142 WeakPolarHBondContact CB-O 3.14Å
143	V	98	Very high	97.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.193	C	C	.	.			trans	-88.1	-52.6	-168.1	-176	0	0	0	0	110.9	L105 A106 L109 L141 L242 V244 S278	L105-V143 WeakPolarHBondContact CA-O 3.48Å; A106-V143 PolarHBondContact N-O 3.38Å; L109-V143 HydrophobicContact CD2-CG1 4.25Å; L141-V143 HydrophobicContact CB-CG2 3.95Å; L141-V143 WeakPolarHBondContact O-CG2 3.23Å; L141-V143 PolarHBondContact O-N 3.2Å; L141-V143 VanDerWaalsContact O-N 3.12Å; V143-L242 HydrophobicContact CG2-CD1 4.28Å; V143-L242 HydrophobicContact CG2-CD2 4.42Å; V143-V244 HydrophobicContact CB-CG1 4.12Å; V143-V244 HydrophobicContact CB-CG2 4.3Å; V143-V244 HydrophobicContact CG1-CG2 4.35Å; V143-V244 HydrophobicContact CG2-CG1 4.26Å; V143-V244 HydrophobicContact CG2-CG2 3.93Å; V143-S278 PolarHBondContact N-O 3.25Å
144	F	98.4	Very high	97.2	Very high	3 Å²	3	37.9 Å²	37.9	1%	0.013	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-120.9	155.5	-169.6	-64.6	-56.6	0	0	0	112.3	Y104 L105 F148 C149 F188 L192 V244 L246 S278 L302	Y104-F144 CarbonylContact O-C 3.45Å; Y104-F144 VanDerWaalsContact O-CA 3.24Å; Y104-F144 WeakPolarHBondContact O-CA 3.03Å; L105-F144 HydrophobicContact CD2-CD1 3.91Å; L105-F144 HydrophobicContact CD2-CE1 3.81Å; F144-F148 HydrophobicContact CB-CD1 3.9Å; F144-F148 AromaticContact CD1-CD1 3.63Å; F144-F148 HydrophobicContact CD1-CD1 3.63Å; F144-F148 AromaticContact CD1-CE1 3.65Å; F144-F148 HydrophobicContact CD1-CE1 3.65Å; F144-F148 HydrophobicContact CD2-CD1 4.37Å; F144-F148 HydrophobicContact CD2-CE1 4.23Å; F144-F148 HydrophobicContact CE1-CD1 4.26Å; F144-F148 AromaticContact CE1-CE1 3.81Å; F144-F148 HydrophobicContact CE1-CE1 3.81Å; F144-F148 HydrophobicContact CE2-CE1 4.37Å; F144-F148 AromaticContact CG-CD1 3.71Å; F144-F148 HydrophobicContact CG-CD1 3.71Å; F144-F148 AromaticContact CG-CE1 3.9Å; F144-F148 HydrophobicContact CG-CE1 3.9Å; F144-F148 HydrophobicContact CZ-CE1 4.17Å; F144-C149 VanDerWaalsContact CB-SG 3.55Å; F144-F188 HydrophobicContact CE1-CE1 4.48Å; F144-F188 AromaticContact CE1-CZ 3.99Å; F144-F188 HydrophobicContact CE1-CZ 3.99Å; F144-F188 HydrophobicContact CZ-CE1 4.19Å; F144-F188 HydrophobicContact CZ-CZ 4.04Å; F144-L192 HydrophobicContact CZ-CD2 4.04Å; F144-V244 HydrophobicContact CD2-CG1 3.92Å; F144-V244 HydrophobicContact CE2-CG1 4.15Å; F144-V244 HydrophobicContact CE2-CG2 4.4Å; F144-L246 HydrophobicContact CD2-CD2 4.28Å; F144-L246 HydrophobicContact CE2-CD2 4.35Å; F144-S278 PolarHBondContact N-O 3.49Å; F144-S278 WeakPolarHBondContact O-CB 3.38Å; F144-L302 HydrophobicContact CE2-CD2 3.82Å; F144-L302 HydrophobicContact CZ-CD2 4.07Å
145	E	98.2	Very high	97.5	Very high	73 Å²	73	35.6 Å²	35.6	34%	0.341	18%	0.18	S	C	.	.			trans	-69.3	140.4	163.7	-74.6	-68.2	171.8	0	0	110.3	Y104 P107 S147 F148 C149	Y104-E145 PolarHBondContact O-N 3.43Å; P107-E145 WeakPolarHBondContact CD-OE1 3.27Å; E145-S147 VanDerWaalsContact C-N 3.25Å; E145-S147 PolarHBondContact O-N 3.22Å; E145-F148 WeakPolarHBondContact O-CB 3.22Å; E145-F148 PolarHBondContact O-N 3.01Å; E145-C149 PolarHBondContact O-N 3.3Å; E145-C149 VanDerWaalsContact O-N 3.13Å
146	K	97	Very high	97.7	Very high	129 Å²	129	35.3 Å²	35.3	56%	0.561	18%	0.178	S	C	*	.	H	α-helix	trans	-56	-40.4	-177.9	-179.1	178.3	175	-176.7	0	112.6	F148 C149 E150	K146-F148 VanDerWaalsContact C-N 3.27Å; K146-F148 PolarHBondContact O-N 3.07Å; K146-C149 WeakPolarHBondContact O-CB 3.08Å; K146-C149 PolarHBondContact O-N 2.89Å; K146-E150 WeakPolarHBondContact CE-OE1 3.47Å; K146-E150 WeakPolarHBondContact O-CG 3.16Å; K146-E150 PolarHBondContact O-N 2.98Å
147	S	97.4	Very high	97.9	Very high	65 Å²	65	32.5 Å²	32.5	46%	0.455	16%	0.156	S	C	.	.	H	α-helix	trans	-65.1	-30.3	179.5	58.8	0	0	0	0	112.9	E145 Q151	E145-S147 VanDerWaalsContact C-N 3.25Å; E145-S147 PolarHBondContact O-N 3.22Å; S147-Q151 WeakPolarHBondContact O-CG 3.43Å; S147-Q151 PolarHBondContact O-N 2.69Å; S147-Q151 PolarHBondContact O-NE2 2.93Å
148	F	98.3	Very high	98	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-72.9	-44.3	172.7	168.8	-102.8	0	0	0	110.7	V97 Y104 F144 E145 K146 E150 Q151 L152 F188	V97-F148 HydrophobicContact CB-CE2 4.11Å; V97-F148 HydrophobicContact CG1-CE2 4.16Å; Y104-F148 HydrophobicContact CD1-CB 4.23Å; Y104-F148 AromaticContact CD1-CD2 3.57Å; Y104-F148 HydrophobicContact CD1-CD2 3.57Å; Y104-F148 HydrophobicContact CD1-CE2 4.3Å; Y104-F148 HydrophobicContact CD1-CG 4.07Å; Y104-F148 AromaticContact CD2-CD2 3.44Å; Y104-F148 HydrophobicContact CD2-CD2 3.44Å; Y104-F148 VanDerWaalsContact CD2-CD2 3.44Å; Y104-F148 AromaticContact CD2-CE2 3.32Å; Y104-F148 HydrophobicContact CD2-CE2 3.32Å; Y104-F148 HydrophobicContact CD2-CG 4.17Å; Y104-F148 AromaticContact CD2-CZ 3.96Å; Y104-F148 HydrophobicContact CD2-CZ 3.96Å; Y104-F148 AromaticContact CE1-CD2 3.97Å; Y104-F148 HydrophobicContact CE1-CD2 3.97Å; Y104-F148 AromaticContact CE2-CD2 3.83Å; Y104-F148 HydrophobicContact CE2-CD2 3.83Å; Y104-F148 AromaticContact CE2-CE2 3.56Å; Y104-F148 HydrophobicContact CE2-CE2 3.56Å; Y104-F148 HydrophobicContact CE2-CZ 4.47Å; Y104-F148 HydrophobicContact CG-CB 4.24Å; Y104-F148 HydrophobicContact CG-CD1 4.41Å; Y104-F148 AromaticContact CG-CD2 3.3Å; Y104-F148 HydrophobicContact CG-CD2 3.3Å; Y104-F148 AromaticContact CG-CE2 3.73Å; Y104-F148 HydrophobicContact CG-CE2 3.73Å; Y104-F148 AromaticContact CG-CG 3.7Å; Y104-F148 HydrophobicContact CG-CG 3.7Å; Y104-F148 HydrophobicContact CG-CZ 4.44Å; F144-F148 HydrophobicContact CB-CD1 3.9Å; F144-F148 AromaticContact CD1-CD1 3.63Å; F144-F148 HydrophobicContact CD1-CD1 3.63Å; F144-F148 AromaticContact CD1-CE1 3.65Å; F144-F148 HydrophobicContact CD1-CE1 3.65Å; F144-F148 HydrophobicContact CD2-CD1 4.37Å; F144-F148 HydrophobicContact CD2-CE1 4.23Å; F144-F148 HydrophobicContact CE1-CD1 4.26Å; F144-F148 AromaticContact CE1-CE1 3.81Å; F144-F148 HydrophobicContact CE1-CE1 3.81Å; F144-F148 HydrophobicContact CE2-CE1 4.37Å; F144-F148 AromaticContact CG-CD1 3.71Å; F144-F148 HydrophobicContact CG-CD1 3.71Å; F144-F148 AromaticContact CG-CE1 3.9Å; F144-F148 HydrophobicContact CG-CE1 3.9Å; F144-F148 HydrophobicContact CZ-CE1 4.17Å; E145-F148 WeakPolarHBondContact O-CB 3.22Å; E145-F148 PolarHBondContact O-N 3.01Å; K146-F148 VanDerWaalsContact C-N 3.27Å; K146-F148 PolarHBondContact O-N 3.07Å; F148-E150 VanDerWaalsContact C-N 3.27Å; F148-E150 PolarHBondContact O-N 3.07Å; F148-Q151 PolarHBondContact O-N 3.29Å; F148-Q151 VanDerWaalsContact O-N 3.15Å; F148-L152 HydrophobicContact CE1-CB 4.35Å; F148-L152 HydrophobicContact CE1-CD2 3.97Å; F148-L152 HydrophobicContact CE2-CB 4.42Å; F148-L152 HydrophobicContact CZ-CB 4.08Å; F148-L152 HydrophobicContact CZ-CD2 3.94Å; F148-L152 HydrophobicContact CZ-CG 4.44Å; F148-L152 PolarHBondContact O-N 3.28Å; F148-F188 HydrophobicContact CE1-CE2 4.2Å; F148-F188 AromaticContact CE1-CZ 3.83Å; F148-F188 HydrophobicContact CE1-CZ 3.83Å; F148-F188 AromaticContact CE2-CE2 3.97Å; F148-F188 HydrophobicContact CE2-CE2 3.97Å; F148-F188 HydrophobicContact CE2-CZ 4.42Å; F148-F188 AromaticContact CZ-CE2 3.37Å; F148-F188 HydrophobicContact CZ-CE2 3.37Å; F148-F188 AromaticContact CZ-CZ 3.41Å; F148-F188 HydrophobicContact CZ-CZ 3.41Å; F148-F188 VanDerWaalsContact CZ-CZ 3.41Å
149	C	98.4	Very high	98	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	16%	0.159	C	C	.	.	H	α-helix	trans	-54	-44.4	175.5	-73.2	0	0	0	0	112.4	F144 E145 K146 L152 V153 L246	F144-C149 VanDerWaalsContact CB-SG 3.55Å; E145-C149 PolarHBondContact O-N 3.3Å; E145-C149 VanDerWaalsContact O-N 3.13Å; K146-C149 WeakPolarHBondContact O-CB 3.08Å; K146-C149 PolarHBondContact O-N 2.89Å; C149-L152 PolarHBondContact O-N 2.8Å; C149-V153 VanDerWaalsContact O-CG2 3.31Å; C149-V153 WeakPolarHBondContact O-CG2 3.45Å; C149-V153 PolarHBondContact O-N 2.74Å; C149-L246 VanDerWaalsContact CB-O 3.27Å; C149-L246 WeakPolarHBondContact CB-O 3.28Å
150	E	98.1	Very high	97.9	Very high	101 Å²	101	34 Å²	34	47%	0.472	17%	0.167	S	C	.	.	H	α-helix	trans	-59.1	-49	175.7	-71.2	166.8	174.4	0	0	111.8	K146 F148 L152 V153 E154	K146-E150 WeakPolarHBondContact CE-OE1 3.47Å; K146-E150 WeakPolarHBondContact O-CG 3.16Å; K146-E150 PolarHBondContact O-N 2.98Å; F148-E150 VanDerWaalsContact C-N 3.27Å; F148-E150 PolarHBondContact O-N 3.07Å; E150-L152 PolarHBondContact O-N 2.88Å; E150-V153 PolarHBondContact O-N 2.81Å; E150-E154 WeakPolarHBondContact O-CG 3.49Å; E150-E154 PolarHBondContact O-N 2.83Å
151	Q	98.5	Very high	97.8	Very high	51 Å²	51	41.1 Å²	41.1	24%	0.238	20%	0.2	C	C	.	.	H	α-helix	trans	-64.9	-37.8	179.1	-70.9	170.8	79.2	0	0	113.1	H96 V97 S147 F148 E155	H96-Q151 PolarHBondContact NE2-OE1 3.4Å; V97-Q151 HydrophobicContact CG1-CB 4.14Å; S147-Q151 WeakPolarHBondContact O-CG 3.43Å; S147-Q151 PolarHBondContact O-N 2.69Å; S147-Q151 PolarHBondContact O-NE2 2.93Å; F148-Q151 PolarHBondContact O-N 3.29Å; F148-Q151 VanDerWaalsContact O-N 3.15Å; Q151-E155 PolarHBondContact O-N 2.68Å; Q151-E155 VanDerWaalsContact O-N 3.16Å
152	L	98.6	Very high	97.7	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-66.6	-43.5	175.9	179.3	59.5	0	0	0	110.6	V97 F148 C149 E150 E154 E155 L156 F184 L246	V97-L152 HydrophobicContact CB-CD1 4.43Å; V97-L152 HydrophobicContact CG2-CD1 4.13Å; F148-L152 HydrophobicContact CE1-CB 4.35Å; F148-L152 HydrophobicContact CE1-CD2 3.97Å; F148-L152 HydrophobicContact CE2-CB 4.42Å; F148-L152 HydrophobicContact CZ-CB 4.08Å; F148-L152 HydrophobicContact CZ-CD2 3.94Å; F148-L152 HydrophobicContact CZ-CG 4.44Å; F148-L152 PolarHBondContact O-N 3.28Å; C149-L152 PolarHBondContact O-N 2.8Å; E150-L152 PolarHBondContact O-N 2.88Å; L152-E154 PolarHBondContact O-N 3.04Å; L152-E155 PolarHBondContact O-N 2.67Å; L152-L156 HydrophobicContact CD1-CD1 4.06Å; L152-L156 HydrophobicContact CD1-CG 4.22Å; L152-L156 HydrophobicContact CG-CD1 3.86Å; L152-L156 HydrophobicContact CG-CG 4.46Å; L152-L156 WeakPolarHBondContact O-CD1 3.23Å; L152-L156 WeakPolarHBondContact O-CG 2.99Å; L152-L156 PolarHBondContact O-N 2.77Å; L152-F184 HydrophobicContact CD1-CE1 3.8Å; L152-F184 HydrophobicContact CD1-CZ 3.9Å; L152-L246 HydrophobicContact CD2-CD1 3.87Å; L152-L246 HydrophobicContact CD2-CD2 3.92Å; L152-L246 HydrophobicContact CG-CD1 4.32Å
153	V	98.4	Very high	97.7	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.03	24%	0.241	C	C	.	.	H	α-helix	trans	-64.4	-40	177.3	173.8	0	0	0	0	111.5	C149 E150 E155 L156 E157 L246 K248 W300	C149-V153 VanDerWaalsContact O-CG2 3.31Å; C149-V153 WeakPolarHBondContact O-CG2 3.45Å; C149-V153 PolarHBondContact O-N 2.74Å; E150-V153 PolarHBondContact O-N 2.81Å; V153-E155 VanDerWaalsContact C-N 3.34Å; V153-E155 PolarHBondContact O-N 2.79Å; V153-L156 PolarHBondContact O-N 3.31Å; V153-E157 HydrophobicContact CG1-CG 4.21Å; V153-E157 WeakPolarHBondContact O-CB 3.25Å; V153-E157 WeakPolarHBondContact O-CG 3.38Å; V153-E157 PolarHBondContact O-N 3.34Å; V153-L246 HydrophobicContact CG2-CB 3.68Å; V153-L246 HydrophobicContact CG2-CD1 4.43Å; V153-K248 HydrophobicContact CG1-CD 4.33Å; V153-K248 HydrophobicContact CG1-CG 4.19Å; V153-W300 HydrophobicContact CG1-CD2 4.47Å; V153-W300 HydrophobicContact CG1-CG 4.38Å; V153-W300 HydrophobicContact CG2-CB 4.27Å
154	E	98.3	Very high	97.6	Very high	72 Å²	72	47.9 Å²	47.9	34%	0.336	24%	0.243	S	C	.	.	H	α-helix	trans	-58.6	-43	174.4	-74.1	174	-176.5	0	0	112.7	R94 E150 L152 L156 H158	R94-E154 IonicContact CZ-OE2 3.96Å; R94-E154 IonicContact NE-OE2 3.5Å; R94-E154 PolarHBondContact NE-OE2 3.33Å; R94-E154 IonicContact NH2-OE1 3.47Å; R94-E154 IonicContact NH2-OE2 2.97Å; R94-E154 PolarHBondContact NH2-OE2 3.25Å; E150-E154 WeakPolarHBondContact O-CG 3.49Å; E150-E154 PolarHBondContact O-N 2.83Å; L152-E154 PolarHBondContact O-N 3.04Å; E154-L156 VanDerWaalsContact C-N 3.35Å; E154-H158 WeakPolarHBondContact O-CB 3.32Å; E154-H158 PolarHBondContact O-N 3.32Å
155	E	98.7	Very high	97.5	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.7	-43.8	175.2	177	56.8	-149.5	0	0	111.8	Y90 P92 L93 R94 V97 Y98 Q151 L152 V153 H158 F159	Y90-E155 VanDerWaalsContact CE1-OE1 3.27Å; Y90-E155 WeakPolarHBondContact CE1-OE1 3.38Å; Y90-E155 PolarHBondContact OH-O 3.38Å; Y90-E155 PolarHBondContact OH-OE1 2.95Å; P92-E155 WeakPolarHBondContact CA-OE1 3.28Å; L93-E155 WeakPolarHBondContact CA-OE2 3.47Å; L93-E155 WeakPolarHBondContact CB-OE2 3.49Å; L93-E155 PolarHBondContact N-OE2 3.37Å; R94-E155 HydrophobicContact CB-CB 4.18Å; R94-E155 HydrophobicContact CG-CB 4.39Å; R94-E155 PolarHBondContact N-OE2 3.24Å; V97-E155 HydrophobicContact CG2-CB 3.92Å; V97-E155 HydrophobicContact CG2-CG 3.83Å; Y98-E155 HydrophobicContact CE2-CG 3.97Å; Y98-E155 PolarHBondContact OH-OE1 3.18Å; Q151-E155 PolarHBondContact O-N 2.68Å; Q151-E155 VanDerWaalsContact O-N 3.16Å; L152-E155 PolarHBondContact O-N 2.67Å; V153-E155 VanDerWaalsContact C-N 3.34Å; V153-E155 PolarHBondContact O-N 2.79Å; E155-H158 WeakPolarHBondContact O-CB 3.48Å; E155-H158 PolarHBondContact O-N 3Å; E155-F159 PolarHBondContact O-N 3.19Å
156	L	98	Very high	97.3	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-70.9	-37.6	-177.2	-65.5	168.7	0	0	0	111.9	L152 V153 E154 F159 E160 I177 L179 L182 V220 L246 W300	L152-L156 HydrophobicContact CD1-CD1 4.06Å; L152-L156 HydrophobicContact CD1-CG 4.22Å; L152-L156 HydrophobicContact CG-CD1 3.86Å; L152-L156 HydrophobicContact CG-CG 4.46Å; L152-L156 WeakPolarHBondContact O-CD1 3.23Å; L152-L156 WeakPolarHBondContact O-CG 2.99Å; L152-L156 PolarHBondContact O-N 2.77Å; V153-L156 PolarHBondContact O-N 3.31Å; E154-L156 VanDerWaalsContact C-N 3.35Å; L156-F159 PolarHBondContact O-N 3.45Å; L156-E160 PolarHBondContact O-N 3.46Å; L156-I177 HydrophobicContact CB-CD1 3.69Å; L156-I177 HydrophobicContact CD2-CD1 3.55Å; L156-I177 HydrophobicContact CD2-CG2 4.41Å; L156-I177 HydrophobicContact CG-CD1 4.17Å; L156-I177 WeakPolarHBondContact O-CD1 3.1Å; L156-L179 HydrophobicContact CD2-CD2 3.89Å; L156-L182 HydrophobicContact CD2-CD2 4.23Å; L156-V220 HydrophobicContact CD1-CB 4.4Å; L156-V220 HydrophobicContact CD1-CG1 4.15Å; L156-V220 HydrophobicContact CD1-CG2 3.81Å; L156-V220 HydrophobicContact CD2-CG2 4.47Å; L156-L246 HydrophobicContact CD1-CD1 4.06Å; L156-W300 HydrophobicContact CB-CE3 4.34Å; L156-W300 HydrophobicContact CB-CH2 4.37Å; L156-W300 HydrophobicContact CB-CZ3 3.77Å; L156-W300 HydrophobicContact CD1-CE3 4.48Å
157	E	97.4	Very high	96.9	Very high	40 Å²	40	44.4 Å²	44.4	19%	0.187	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-42.4	171.1	-74.3	-179.6	139.7	0	0	111.2	V153 F159 E160 E161 K248 W300	V153-E157 HydrophobicContact CG1-CG 4.21Å; V153-E157 WeakPolarHBondContact O-CB 3.25Å; V153-E157 WeakPolarHBondContact O-CG 3.38Å; V153-E157 PolarHBondContact O-N 3.34Å; E157-F159 VanDerWaalsContact C-N 3.29Å; E157-F159 PolarHBondContact O-N 3.43Å; E157-E160 PolarHBondContact O-N 3.21Å; E157-E161 WeakPolarHBondContact O-CG 3.35Å; E157-E161 PolarHBondContact O-N 2.86Å; E157-K248 VanDerWaalsContact CD-CE 3.48Å; E157-K248 WeakPolarHBondContact OE1-CE 3.45Å; E157-K248 IonicContact OE1-NZ 3.85Å; E157-K248 PolarHBondContact OE1-NZ 2.83Å; E157-K248 WeakPolarHBondContact OE2-CE 3.21Å; E157-K248 IonicContact OE2-NZ 3.7Å; E157-K248 PolarHBondContact OE2-NZ 2.79Å; E157-W300 HydrophobicContact CG-CH2 4.09Å; E157-W300 HydrophobicContact CG-CZ2 3.65Å
158	H	98.1	Very high	96.5	Very high	71 Å²	71	49.3 Å²	49.3	33%	0.329	24%	0.243	S	C	.	.	H	α-helix	trans	-59.2	-41.5	174.8	-170.4	60.2	0	0	0	112	Y90 L93 E154 E155 E161 S162	Y90-H158 AromaticContact CE2-CD2 3.6Å; Y90-H158 AromaticContact CZ-CD2 3.79Å; Y90-H158 PolarHBondContact OH-CD2 3.33Å; Y90-H158 VanDerWaalsContact OH-CD2 3.29Å; L93-H158 HydrophobicContact CB-CB 4.01Å; L93-H158 HydrophobicContact CD2-CB 3.97Å; E154-H158 WeakPolarHBondContact O-CB 3.32Å; E154-H158 PolarHBondContact O-N 3.32Å; E155-H158 WeakPolarHBondContact O-CB 3.48Å; E155-H158 PolarHBondContact O-N 3Å; H158-E161 PolarHBondContact O-N 2.79Å; H158-S162 PolarHBondContact O-N 3.28Å
159	F	97.9	Very high	96	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.018	24%	0.243	C	C	.	.	H	α-helix	trans	-64.8	-43.5	174.9	-179.9	-106.9	0	0	0	112.7	I86 Y90 E155 L156 E157 E161 S162 A164 K166 I177 L182	I86-F159 HydrophobicContact CD1-CE2 4.25Å; I86-F159 HydrophobicContact CD1-CZ 3.89Å; I86-F159 HydrophobicContact CG1-CE2 4.07Å; I86-F159 HydrophobicContact CG1-CZ 4.13Å; I86-F159 HydrophobicContact CG2-CE2 3.99Å; Y90-F159 AromaticContact CD1-CD2 3.77Å; Y90-F159 HydrophobicContact CD1-CD2 3.77Å; Y90-F159 HydrophobicContact CD1-CE2 4.37Å; Y90-F159 AromaticContact CD2-CD2 3.82Å; Y90-F159 HydrophobicContact CD2-CD2 3.82Å; Y90-F159 HydrophobicContact CE1-CB 4.2Å; Y90-F159 AromaticContact CE1-CD2 3.81Å; Y90-F159 HydrophobicContact CE1-CD2 3.81Å; Y90-F159 HydrophobicContact CE1-CG 4.44Å; Y90-F159 HydrophobicContact CE2-CB 4Å; Y90-F159 AromaticContact CE2-CD2 3.87Å; Y90-F159 HydrophobicContact CE2-CD2 3.87Å; Y90-F159 HydrophobicContact CE2-CG 4.44Å; Y90-F159 AromaticContact CG-CD2 3.77Å; Y90-F159 HydrophobicContact CG-CD2 3.77Å; Y90-F159 HydrophobicContact CG-CE2 4.24Å; Y90-F159 AromaticContact CZ-CD2 3.86Å; Y90-F159 PolarHBondContact OH-N 2.95Å; E155-F159 PolarHBondContact O-N 3.19Å; L156-F159 PolarHBondContact O-N 3.45Å; E157-F159 VanDerWaalsContact C-N 3.29Å; E157-F159 PolarHBondContact O-N 3.43Å; F159-E161 VanDerWaalsContact C-N 3.33Å; F159-E161 PolarHBondContact O-N 2.77Å; F159-S162 WeakPolarHBondContact O-CB 3.45Å; F159-S162 PolarHBondContact O-N 3.39Å; F159-S162 PolarHBondContact O-OG 3.47Å; F159-A164 HydrophobicContact CD2-CB 4.5Å; F159-A164 HydrophobicContact CE2-CB 3.79Å; F159-A164 HydrophobicContact CZ-CB 4.5Å; F159-K166 HydrophobicContact CE1-CG 3.72Å; F159-K166 HydrophobicContact CZ-CG 4.05Å; F159-K166 WeakPolarHBondContact O-CE 3.22Å; F159-K166 PolarHBondContact O-NZ 2.7Å; F159-I177 HydrophobicContact CD1-CD1 3.79Å; F159-I177 HydrophobicContact CD1-CG1 3.87Å; F159-I177 HydrophobicContact CD1-CG2 3.9Å; F159-I177 HydrophobicContact CE1-CG1 4.25Å; F159-I177 HydrophobicContact CE1-CG2 3.91Å; F159-L182 HydrophobicContact CB-CD2 4.4Å; F159-L182 HydrophobicContact CD1-CD1 4.4Å; F159-L182 HydrophobicContact CD1-CD2 4.36Å; F159-L182 HydrophobicContact CD2-CD1 3.44Å; F159-L182 VanDerWaalsContact CD2-CD1 3.44Å; F159-L182 HydrophobicContact CE1-CD1 4.47Å; F159-L182 HydrophobicContact CE2-CD1 3.55Å; F159-L182 HydrophobicContact CG-CD1 3.89Å; F159-L182 HydrophobicContact CG-CD2 4.16Å; F159-L182 HydrophobicContact CZ-CD1 4.07Å
160	E	95.4	Very high	95.4	Very high	51 Å²	51	50.3 Å²	50.3	24%	0.238	25%	0.248	C	C	.	.	H	α-helix	trans	-58.7	-43.1	175.8	-81.9	-59.6	147.5	0	0	112	L156 E157 S162 K166 I177 W300	L156-E160 PolarHBondContact O-N 3.46Å; E157-E160 PolarHBondContact O-N 3.21Å; E160-S162 VanDerWaalsContact C-N 3.26Å; E160-S162 PolarHBondContact O-N 3.34Å; E160-K166 WeakPolarHBondContact O-CE 3.42Å; E160-K166 PolarHBondContact O-NZ 2.82Å; E160-I177 HydrophobicContact CG-CD1 4.13Å; E160-I177 HydrophobicContact CG-CG1 4.41Å; E160-I177 WeakPolarHBondContact OE1-CG1 3.49Å; E160-W300 HydrophobicContact CG-CH2 3.85Å
161	E	95.8	Very high	94.7	Very high	162 Å²	162	50.7 Å²	50.7	76%	0.757	26%	0.257	S	S	*	.	H	α-helix	trans	-73.2	-16.5	-179.3	-69.4	176.9	178.9	0	0	113.7	E157 H158 F159	E157-E161 WeakPolarHBondContact O-CG 3.35Å; E157-E161 PolarHBondContact O-N 2.86Å; H158-E161 PolarHBondContact O-N 2.79Å; F159-E161 VanDerWaalsContact C-N 3.33Å; F159-E161 PolarHBondContact O-N 2.77Å
162	S	96.7	Very high	94.1	Very high	29 Å²	29	51.5 Å²	51.5	20%	0.203	26%	0.262	C	S	.	.	S	Bend	trans	-73.8	164.2	-179.7	79.4	0	0	0	0	113.5	H158 F159 E160 A164 K166	H158-S162 PolarHBondContact O-N 3.28Å; F159-S162 WeakPolarHBondContact O-CB 3.45Å; F159-S162 PolarHBondContact O-N 3.39Å; F159-S162 PolarHBondContact O-OG 3.47Å; E160-S162 VanDerWaalsContact C-N 3.26Å; E160-S162 PolarHBondContact O-N 3.34Å; S162-A164 PolarHBondContact O-N 3.19Å; S162-A164 WeakPolarHBondContact OG-CB 3.47Å; S162-A164 PolarHBondContact OG-N 2.75Å; S162-K166 PolarHBondContact O-NZ 3.26Å; S162-K166 PolarHBondContact OG-NZ 3.12Å
163	T	95.9	Very high	93.7	Very high	141 Å²	141	51.5 Å²	51.5	87%	0.865	26%	0.262	S	S	*	.	S	Bend	trans	-80.1	-1.5	173.5	57.7	0	0	0	0	113.9
164	A	96.8	Very high	93.1	Very high	3 Å²	3	56.2 Å²	56.2	3%	0.025	28%	0.283	C	S	.	.	S	Bend	trans	-63.3	144.9	-179.1	0	0	0	0	0	110.8	I86 F159 S162 K166	I86-A164 HydrophobicContact CG1-CB 4.29Å; F159-A164 HydrophobicContact CD2-CB 4.5Å; F159-A164 HydrophobicContact CE2-CB 3.79Å; F159-A164 HydrophobicContact CZ-CB 4.5Å; S162-A164 PolarHBondContact O-N 3.19Å; S162-A164 WeakPolarHBondContact OG-CB 3.47Å; S162-A164 PolarHBondContact OG-N 2.75Å; A164-K166 WeakPolarHBondContact O-CD 3.48Å; A164-K166 PolarHBondContact O-NZ 2.79Å
165	P	95.8	Very high	92.8	Very high	49 Å²	49	57.1 Å²	57.1	32%	0.318	29%	0.285	S	S	.	.			trans	-67.4	141.5	-178.6	28.9	-34.2	0	0	0	110.8	R82 A85 I86	R82-P165 HydrophobicContact CB-CG 4.45Å; R82-P165 HydrophobicContact CG-CB 4.13Å; R82-P165 HydrophobicContact CG-CG 4.3Å; A85-P165 HydrophobicContact CB-CG 3.68Å; I86-P165 HydrophobicContact CG1-CG 4.23Å
166	K	92.9	Very high	92.6	Very high	73 Å²	73	57.4 Å²	57.4	32%	0.317	29%	0.288	S	S	.	.			trans	-116.2	133.9	178	-59.9	108.7	166.6	83.9	0	111.2	F159 E160 S162 A164	F159-K166 HydrophobicContact CE1-CG 3.72Å; F159-K166 HydrophobicContact CZ-CG 4.05Å; F159-K166 WeakPolarHBondContact O-CE 3.22Å; F159-K166 PolarHBondContact O-NZ 2.7Å; E160-K166 WeakPolarHBondContact O-CE 3.42Å; E160-K166 PolarHBondContact O-NZ 2.82Å; S162-K166 PolarHBondContact O-NZ 3.26Å; S162-K166 PolarHBondContact OG-NZ 3.12Å; A164-K166 WeakPolarHBondContact O-CD 3.48Å; A164-K166 PolarHBondContact O-NZ 2.79Å
167	G	89.7	Confident	92.6	Very high	10 Å²	10	57.5 Å²	57.5	10%	0.103	29%	0.288	C	S	.	.			trans	-87.7	153.8	169.2	0	0	0	0	0	111.4
168	R	89.1	Confident	92.5	Very high	169 Å²	169	56.3 Å²	56.3	64%	0.638	28%	0.283	S	S	*	.			trans	-71.3	133.7	171.6	-72.1	-173.3	-179.5	-172.8	-1.6	110.3	N170	R168-N170 PolarHBondContact O-N 3.3Å
169	P	86.6	Confident	92.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-63.3	-43.1	-176.6	23.7	-33.7	0	0	0	112.4	N173 K217 F219	P169-N173 HydrophobicContact CG-CB 3.89Å; P169-K217 PolarHBondContact O-NZ 3.03Å; P169-F219 HydrophobicContact CB-CB 3.99Å; P169-F219 HydrophobicContact CB-CD2 3.73Å; P169-F219 HydrophobicContact CB-CG 4.08Å
170	N	86.6	Confident	92.4	Very high	23 Å²	23	55.4 Å²	55.4	12%	0.123	28%	0.281	C	S	.	.	S	Bend	trans	-152.8	-171	174.9	65.3	56.8	0	0	0	110.9	R168 M172 N173 F219 W305	R168-N170 PolarHBondContact O-N 3.3Å; N170-M172 VanDerWaalsContact C-N 3.35Å; N170-M172 WeakPolarHBondContact OD1-CA 3.24Å; N170-M172 PolarHBondContact OD1-N 3.18Å; N170-N173 PolarHBondContact ND2-OD1 2.83Å; N170-N173 PolarHBondContact OD1-N 2.81Å; N170-N173 PolarHBondContact OD1-OD1 3.46Å; N170-F219 WeakPolarHBondContact ND2-CE2 3.15Å; N170-W305 HydrophobicContact CB-CH2 4.42Å
171	T	82.7	Confident	92.5	Very high	108 Å²	108	53.3 Å²	53.3	66%	0.663	27%	0.271	S	S	*	.	S	Bend	trans	-80.9	-12.4	-177.3	47.9	0	0	0	0	114.3
172	M	86.6	Confident	92.6	Very high	69 Å²	69	46.3 Å²	46.3	34%	0.34	24%	0.238	S	C	.	.	S	Bend	trans	-111.7	-23.1	-174.3	-61	-177.8	65.4	0	0	113.3	N170 L231 H234	N170-M172 VanDerWaalsContact C-N 3.35Å; N170-M172 WeakPolarHBondContact OD1-CA 3.24Å; N170-M172 PolarHBondContact OD1-N 3.18Å; M172-L231 HydrophobicContact CB-CD1 3.55Å; M172-L231 HydrophobicContact CE-CD1 4.12Å; M172-L231 HydrophobicContact CE-CG 4.47Å; M172-H234 HydrophobicContact CE-CB 3.92Å; M172-H234 HydrophobicContact SD-CB 3.7Å
173	N	89.8	Confident	92.6	Very high	3 Å²	3	47 Å²	47	2%	0.016	25%	0.25	C	S	.	.			trans	-102	131.4	174.6	-66.7	107.5	0	0	0	111	P169 N170 V221 D228	P169-N173 HydrophobicContact CG-CB 3.89Å; N170-N173 PolarHBondContact ND2-OD1 2.83Å; N170-N173 PolarHBondContact OD1-N 2.81Å; N170-N173 PolarHBondContact OD1-OD1 3.46Å; N173-V221 HydrophobicContact CB-CG1 4.08Å; N173-D228 WeakPolarHBondContact CA-OD2 3.34Å
174	H	87.1	Confident	92.7	Very high	103 Å²	103	40.3 Å²	40.3	48%	0.477	21%	0.209	S	C	.	.	S	Bend	trans	-87.1	-29.2	175.5	-60.7	95.8	0	0	0	112.1	D228	H174-D228 IonicContact CG-OD1 3.82Å; H174-D228 PolarHBondContact N-OD2 3.21Å; H174-D228 IonicContact ND1-OD1 3.34Å; H174-D228 PolarHBondContact ND1-OD1 3.22Å; H174-D228 IonicContact ND1-OD2 3.29Å
175	Y	91.6	Very high	92.7	Very high	92 Å²	92	41.6 Å²	41.6	36%	0.361	22%	0.215	S	C	.	.	S	Bend	trans	-118.9	129.6	-173.2	-59	-88	0	0	0	112	K222 E227 D228	Y175-K222 PolarHBondContact O-N 3.19Å; Y175-E227 HydrophobicContact CD1-CB 4.49Å; Y175-E227 HydrophobicContact CD1-CG 4.16Å; Y175-E227 HydrophobicContact CD2-CB 3.66Å; Y175-E227 HydrophobicContact CD2-CG 4.18Å; Y175-E227 HydrophobicContact CE1-CB 4.45Å; Y175-E227 HydrophobicContact CE1-CG 3.92Å; Y175-E227 HydrophobicContact CE2-CB 3.62Å; Y175-E227 HydrophobicContact CE2-CG 3.97Å; Y175-E227 HydrophobicContact CG-CB 4.11Å; Y175-E227 HydrophobicContact CG-CG 4.27Å; Y175-D228 HydrophobicContact CD2-CB 4.43Å; Y175-D228 PolarHBondContact N-OD2 3.03Å
176	G	94.3	Very high	92.7	Very high	6 Å²	6	44.4 Å²	44.4	6%	0.062	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148	179.3	-178	0	0	0	0	0	113.6	V220	G176-V220 CarbonylContact C-O 3.58Å; G176-V220 WeakPolarHBondContact CA-O 3.31Å
177	I	97.1	Very high	93	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132.1	-167.3	-59.7	165.4	0	0	0	110.2	L156 F159 E160 L179 L182 F219 V220 W300	L156-I177 HydrophobicContact CB-CD1 3.69Å; L156-I177 HydrophobicContact CD2-CD1 3.55Å; L156-I177 HydrophobicContact CD2-CG2 4.41Å; L156-I177 HydrophobicContact CG-CD1 4.17Å; L156-I177 WeakPolarHBondContact O-CD1 3.1Å; F159-I177 HydrophobicContact CD1-CD1 3.79Å; F159-I177 HydrophobicContact CD1-CG1 3.87Å; F159-I177 HydrophobicContact CD1-CG2 3.9Å; F159-I177 HydrophobicContact CE1-CG1 4.25Å; F159-I177 HydrophobicContact CE1-CG2 3.91Å; E160-I177 HydrophobicContact CG-CD1 4.13Å; E160-I177 HydrophobicContact CG-CG1 4.41Å; E160-I177 WeakPolarHBondContact OE1-CG1 3.49Å; I177-L179 HydrophobicContact CG2-CD2 4.27Å; I177-L179 PolarHBondContact O-N 3.12Å; I177-L182 HydrophobicContact CG2-CD2 4.05Å; I177-F219 CarbonylContact O-C 3.33Å; I177-F219 WeakPolarHBondContact O-CA 3.43Å; I177-F219 VanDerWaalsContact O-CB 3.31Å; I177-F219 WeakPolarHBondContact O-CB 3.43Å; I177-V220 PolarHBondContact N-O 3.38Å; I177-V220 PolarHBondContact O-N 2.86Å; I177-W300 HydrophobicContact CD1-CZ3 4.18Å
178	L	97.1	Very high	93.4	Very high	15 Å²	15	44.8 Å²	44.8	8%	0.079	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	109.2	169.1	-72.5	171.6	0	0	0	109.7	N180 E181 L182 F219	L178-N180 VanDerWaalsContact C-N 3.29Å; L178-N180 PolarHBondContact O-N 3.19Å; L178-E181 HydrophobicContact CB-CB 4.26Å; L178-E181 HydrophobicContact CB-CG 3.87Å; L178-E181 HydrophobicContact CD1-CG 4.24Å; L178-E181 WeakPolarHBondContact CD1-OE1 3.22Å; L178-E181 PolarHBondContact O-N 3.36Å; L178-L182 PolarHBondContact O-N 2.92Å; L178-F219 HydrophobicContact CD2-CB 4.22Å
179	L	97.9	Very high	93.9	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-70.8	-26	-172.6	-69.3	-171.9	0	0	0	113.3	L156 I177 E181 L182 G183 F184 I189 A218 V220 L302	L156-L179 HydrophobicContact CD2-CD2 3.89Å; I177-L179 HydrophobicContact CG2-CD2 4.27Å; I177-L179 PolarHBondContact O-N 3.12Å; L179-E181 VanDerWaalsContact C-N 3.34Å; L179-L182 PolarHBondContact O-N 3.2Å; L179-G183 PolarHBondContact O-N 2.95Å; L179-F184 HydrophobicContact CB-CB 3.99Å; L179-F184 HydrophobicContact CB-CD2 4.45Å; L179-F184 HydrophobicContact CB-CG 4.37Å; L179-F184 HydrophobicContact CD2-CD2 4.02Å; L179-F184 HydrophobicContact CD2-CE2 4.25Å; L179-F184 HydrophobicContact CD2-CG 4.35Å; L179-F184 PolarHBondContact O-N 2.84Å; L179-I189 HydrophobicContact CD1-CD1 4.08Å; L179-A218 HydrophobicContact CB-CB 4.31Å; L179-A218 HydrophobicContact CD1-CB 4.18Å; L179-A218 PolarHBondContact N-O 3.5Å; L179-V220 HydrophobicContact CD1-CG2 4.08Å; L179-V220 HydrophobicContact CD2-CG2 4.01Å; L179-V220 HydrophobicContact CG-CG2 4.18Å; L179-L302 HydrophobicContact CD1-CD1 3.36Å
180	N	96.1	Very high	94.4	Very high	53 Å²	53	37.5 Å²	37.5	28%	0.283	20%	0.202	S	C	.	.	H	α-helix	trans	-65.2	-37.4	173.1	69.5	-64.8	0	0	0	112.1	L178 L182 G183 D185	L178-N180 VanDerWaalsContact C-N 3.29Å; L178-N180 PolarHBondContact O-N 3.19Å; N180-L182 VanDerWaalsContact C-N 3.27Å; N180-L182 PolarHBondContact O-N 2.65Å; N180-G183 PolarHBondContact O-N 3.05Å; N180-D185 WeakPolarHBondContact CB-OD2 3.05Å
181	E	96.7	Very high	95	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.028	21%	0.205	C	C	.	.	H	α-helix	trans	-72.2	-26.1	178.3	-58.8	-172.1	164.4	0	0	111.9	S79 R82 T83 I86 L178 L179	S79-E181 WeakPolarHBondContact CA-OE1 3.37Å; S79-E181 WeakPolarHBondContact CB-OE1 3.47Å; S79-E181 PolarHBondContact OG-OE1 3Å; R82-E181 IonicContact CZ-OE1 3.64Å; R82-E181 VanDerWaalsContact CZ-OE1 3.31Å; R82-E181 IonicContact CZ-OE2 2.75Å; R82-E181 IonicContact NE-OE1 2.77Å; R82-E181 PolarHBondContact NE-OE1 3.32Å; R82-E181 IonicContact NE-OE2 3.18Å; R82-E181 PolarHBondContact NE-OE2 2.67Å; R82-E181 IonicContact NH2-OE1 2.92Å; R82-E181 PolarHBondContact NH2-OE1 2.88Å; R82-E181 IonicContact NH2-OE2 2.65Å; T83-E181 WeakPolarHBondContact OG1-CA 3.34Å; I86-E181 HydrophobicContact CD1-CB 4Å; L178-E181 HydrophobicContact CB-CB 4.26Å; L178-E181 HydrophobicContact CB-CG 3.87Å; L178-E181 HydrophobicContact CD1-CG 4.24Å; L178-E181 WeakPolarHBondContact CD1-OE1 3.22Å; L178-E181 PolarHBondContact O-N 3.36Å; L179-E181 VanDerWaalsContact C-N 3.34Å
182	L	97	Very high	95.8	Very high	15 Å²	15	32.6 Å²	32.6	8%	0.079	17%	0.173	C	C	.	.	H	α-helix	trans	-85.4	-18.3	177.4	-158.8	57.9	0	0	0	112.2	I86 Y90 Y98 L156 F159 I177 L178 L179 N180 F184	I86-L182 HydrophobicContact CG2-CD1 3.89Å; Y90-L182 HydrophobicContact CD1-CD1 3.9Å; Y90-L182 HydrophobicContact CE1-CD1 3.95Å; Y98-L182 HydrophobicContact CE1-CG 3.96Å; Y98-L182 VanDerWaalsContact CE1-O 3.23Å; Y98-L182 WeakPolarHBondContact CE1-O 3.48Å; Y98-L182 WeakPolarHBondContact OH-CG 3.42Å; L156-L182 HydrophobicContact CD2-CD2 4.23Å; F159-L182 HydrophobicContact CB-CD2 4.4Å; F159-L182 HydrophobicContact CD1-CD1 4.4Å; F159-L182 HydrophobicContact CD1-CD2 4.36Å; F159-L182 HydrophobicContact CD2-CD1 3.44Å; F159-L182 VanDerWaalsContact CD2-CD1 3.44Å; F159-L182 HydrophobicContact CE1-CD1 4.47Å; F159-L182 HydrophobicContact CE2-CD1 3.55Å; F159-L182 HydrophobicContact CG-CD1 3.89Å; F159-L182 HydrophobicContact CG-CD2 4.16Å; F159-L182 HydrophobicContact CZ-CD1 4.07Å; I177-L182 HydrophobicContact CG2-CD2 4.05Å; L178-L182 PolarHBondContact O-N 2.92Å; L179-L182 PolarHBondContact O-N 3.2Å; N180-L182 VanDerWaalsContact C-N 3.27Å; N180-L182 PolarHBondContact O-N 2.65Å; L182-F184 HydrophobicContact CB-CD2 4.09Å; L182-F184 HydrophobicContact CB-CE2 4.3Å; L182-F184 HydrophobicContact CD2-CD2 4.3Å; L182-F184 HydrophobicContact CD2-CE2 3.7Å; L182-F184 HydrophobicContact CG-CD2 4.28Å; L182-F184 HydrophobicContact CG-CE2 3.99Å
183	G	96.6	Very high	96.4	Very high	44 Å²	44	29.6 Å²	29.6	45%	0.454	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.9	20.3	174	0	0	0	0	0	115.7	L179 N180	L179-G183 PolarHBondContact O-N 2.95Å; N180-G183 PolarHBondContact O-N 3.05Å
184	F	98.3	Very high	96.8	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	18%	0.176	C	C	.	.			trans	-82.5	-11.8	-179.7	-80.6	-101.9	0	0	0	114.4	V97 Y98 L152 L179 L182 F188 I189	V97-F184 HydrophobicContact CG2-CE1 4.22Å; V97-F184 HydrophobicContact CG2-CZ 3.97Å; V97-F184 WeakPolarHBondContact O-CE1 3.17Å; Y98-F184 AromaticContact CD1-CD2 3.69Å; Y98-F184 HydrophobicContact CD1-CD2 3.69Å; Y98-F184 HydrophobicContact CD1-CE1 4.46Å; Y98-F184 AromaticContact CD1-CE2 3.53Å; Y98-F184 HydrophobicContact CD1-CE2 3.53Å; Y98-F184 HydrophobicContact CD1-CG 4.23Å; Y98-F184 AromaticContact CD1-CZ 3.95Å; Y98-F184 HydrophobicContact CD1-CZ 3.95Å; Y98-F184 HydrophobicContact CD2-CE2 4.47Å; Y98-F184 HydrophobicContact CD2-CZ 4.21Å; Y98-F184 AromaticContact CE1-CD2 3.6Å; Y98-F184 HydrophobicContact CE1-CD2 3.6Å; Y98-F184 AromaticContact CE1-CE2 3.19Å; Y98-F184 HydrophobicContact CE1-CE2 3.19Å; Y98-F184 AromaticContact CE1-CZ 3.88Å; Y98-F184 HydrophobicContact CE1-CZ 3.88Å; Y98-F184 HydrophobicContact CE2-CE2 4.19Å; Y98-F184 HydrophobicContact CE2-CZ 4.14Å; Y98-F184 HydrophobicContact CG-CE1 4.48Å; Y98-F184 HydrophobicContact CG-CE2 4.18Å; Y98-F184 HydrophobicContact CG-CZ 4.12Å; Y98-F184 AromaticContact CZ-CE2 3.57Å; Y98-F184 AromaticContact CZ-CZ 4Å; L152-F184 HydrophobicContact CD1-CE1 3.8Å; L152-F184 HydrophobicContact CD1-CZ 3.9Å; L179-F184 HydrophobicContact CB-CB 3.99Å; L179-F184 HydrophobicContact CB-CD2 4.45Å; L179-F184 HydrophobicContact CB-CG 4.37Å; L179-F184 HydrophobicContact CD2-CD2 4.02Å; L179-F184 HydrophobicContact CD2-CE2 4.25Å; L179-F184 HydrophobicContact CD2-CG 4.35Å; L179-F184 PolarHBondContact O-N 2.84Å; L182-F184 HydrophobicContact CB-CD2 4.09Å; L182-F184 HydrophobicContact CB-CE2 4.3Å; L182-F184 HydrophobicContact CD2-CD2 4.3Å; L182-F184 HydrophobicContact CD2-CE2 3.7Å; L182-F184 HydrophobicContact CG-CD2 4.28Å; L182-F184 HydrophobicContact CG-CE2 3.99Å; F184-F188 HydrophobicContact CB-CB 4.37Å; F184-F188 HydrophobicContact CD1-CB 3.98Å; F184-F188 HydrophobicContact CD1-CD1 4.4Å; F184-F188 HydrophobicContact CD1-CD2 4.39Å; F184-F188 HydrophobicContact CD1-CG 4.01Å; F184-F188 WeakPolarHBondContact O-CA 3.48Å; F184-F188 VanDerWaalsContact O-CB 3.27Å; F184-F188 WeakPolarHBondContact O-CB 3.31Å; F184-F188 PolarHBondContact O-N 3.17Å; F184-F188 VanDerWaalsContact O-N 3.13Å; F184-I189 HydrophobicContact CB-CG1 4.15Å; F184-I189 PolarHBondContact O-N 2.9Å
185	D	97	Very high	97.3	Very high	29 Å²	29	33.8 Å²	33.8	16%	0.155	18%	0.178	C	C	.	.	I	π-helix	trans	-65.5	-50.6	-167.4	-92.7	-5.4	0	0	0	113.7	N180 T190 H216	N180-D185 WeakPolarHBondContact CB-OD2 3.05Å; D185-T190 WeakPolarHBondContact O-CB 3.37Å; D185-T190 PolarHBondContact O-N 3.09Å; D185-T190 PolarHBondContact O-OG1 3.31Å; D185-H216 IonicContact OD1-CD2 3.45Å; D185-H216 PolarHBondContact OD1-CD2 3.2Å; D185-H216 IonicContact OD1-NE2 2.72Å; D185-H216 PolarHBondContact OD1-NE2 3.47Å; D185-H216 IonicContact OD2-NE2 3.4Å
186	E	96.6	Very high	97.6	Very high	108 Å²	108	31.3 Å²	31.3	51%	0.505	17%	0.168	S	C	.	.	I	π-helix	trans	-73.5	-46.4	-171	-67	-76.2	151.5	0	0	112.2	K8 P191	K8-E186 IonicContact NZ-OE1 3.55Å; K8-E186 PolarHBondContact NZ-OE1 2.9Å; K8-E186 VanDerWaalsContact NZ-OE1 3.13Å; K8-E186 IonicContact NZ-OE2 2.8Å; K8-E186 PolarHBondContact NZ-OE2 2.93Å; E186-P191 VanDerWaalsContact O-CD 3.28Å; E186-P191 WeakPolarHBondContact O-CD 3.45Å
187	D	98.4	Very high	97.8	Very high	89 Å²	89	31 Å²	31	48%	0.476	17%	0.165	S	C	.	.	I	π-helix	trans	-100.2	-10.2	-171	-64.9	-57.4	0	0	0	114.3	H99 L100	H99-D187 HydrophobicContact CB-CB 4.39Å; H99-D187 VanDerWaalsContact CD2-CB 3.48Å; H99-D187 WeakPolarHBondContact CD2-CB 3.38Å; H99-D187 IonicContact CD2-OD2 3.85Å; H99-D187 IonicContact NE2-OD2 3.79Å; L100-D187 PolarHBondContact N-O 3.34Å
188	F	98.8	Very high	97.9	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.009	18%	0.175	C	C	.	.	I	π-helix	trans	-118.9	-63.7	178	-166.9	-76.5	0	0	0	113.4	V97 Y98 L100 Y104 F144 F148 F184 P191 L192	V97-F188 WeakPolarHBondContact O-CD2 3.43Å; V97-F188 WeakPolarHBondContact O-CE2 3.43Å; Y98-F188 WeakPolarHBondContact O-CB 3.27Å; L100-F188 HydrophobicContact CB-CD2 4.1Å; L100-F188 HydrophobicContact CB-CE2 4.49Å; L100-F188 HydrophobicContact CB-CG 4.34Å; L100-F188 HydrophobicContact CD1-CD2 4.27Å; L100-F188 HydrophobicContact CD1-CE1 4.33Å; L100-F188 HydrophobicContact CD1-CE2 3.85Å; L100-F188 HydrophobicContact CD1-CZ 3.88Å; Y104-F188 HydrophobicContact CD2-CE2 4.07Å; Y104-F188 HydrophobicContact CE2-CE2 4.4Å; F144-F188 HydrophobicContact CE1-CE1 4.48Å; F144-F188 AromaticContact CE1-CZ 3.99Å; F144-F188 HydrophobicContact CE1-CZ 3.99Å; F144-F188 HydrophobicContact CZ-CE1 4.19Å; F144-F188 HydrophobicContact CZ-CZ 4.04Å; F148-F188 HydrophobicContact CE1-CE2 4.2Å; F148-F188 AromaticContact CE1-CZ 3.83Å; F148-F188 HydrophobicContact CE1-CZ 3.83Å; F148-F188 AromaticContact CE2-CE2 3.97Å; F148-F188 HydrophobicContact CE2-CE2 3.97Å; F148-F188 HydrophobicContact CE2-CZ 4.42Å; F148-F188 AromaticContact CZ-CE2 3.37Å; F148-F188 HydrophobicContact CZ-CE2 3.37Å; F148-F188 AromaticContact CZ-CZ 3.41Å; F148-F188 HydrophobicContact CZ-CZ 3.41Å; F148-F188 VanDerWaalsContact CZ-CZ 3.41Å; F184-F188 HydrophobicContact CB-CB 4.37Å; F184-F188 HydrophobicContact CD1-CB 3.98Å; F184-F188 HydrophobicContact CD1-CD1 4.4Å; F184-F188 HydrophobicContact CD1-CD2 4.39Å; F184-F188 HydrophobicContact CD1-CG 4.01Å; F184-F188 WeakPolarHBondContact O-CA 3.48Å; F184-F188 VanDerWaalsContact O-CB 3.27Å; F184-F188 WeakPolarHBondContact O-CB 3.31Å; F184-F188 PolarHBondContact O-N 3.17Å; F184-F188 VanDerWaalsContact O-N 3.13Å; F188-P191 WeakPolarHBondContact O-CD 3.38Å; F188-L192 HydrophobicContact CE1-CD2 4.14Å; F188-L192 VanDerWaalsContact O-CB 3.32Å; F188-L192 WeakPolarHBondContact O-CB 3.46Å; F188-L192 PolarHBondContact O-N 2.96Å
189	I	98.7	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	I	π-helix	trans	-74.2	-37.9	-169.8	-56.3	-71	0	0	0	111.3	L179 F184 L192 R193 H216 A218 L302 V304	L179-I189 HydrophobicContact CD1-CD1 4.08Å; F184-I189 HydrophobicContact CB-CG1 4.15Å; F184-I189 PolarHBondContact O-N 2.9Å; I189-L192 PolarHBondContact O-N 3.47Å; I189-R193 WeakPolarHBondContact O-CB 3.4Å; I189-R193 PolarHBondContact O-N 3.21Å; I189-H216 WeakPolarHBondContact CG2-CD2 3.47Å; I189-H216 VanDerWaalsContact CG2-NE2 3.3Å; I189-H216 WeakPolarHBondContact CG2-NE2 3.09Å; I189-A218 HydrophobicContact CB-CB 4.39Å; I189-A218 HydrophobicContact CD1-CB 3.69Å; I189-A218 HydrophobicContact CG1-CB 3.79Å; I189-A218 HydrophobicContact CG2-CB 3.8Å; I189-L302 HydrophobicContact CD1-CD1 4.4Å; I189-V304 HydrophobicContact CD1-CG2 4.46Å; I189-V304 HydrophobicContact CG2-CG1 4.03Å
190	T	98.6	Very high	98	Very high	17 Å²	17	33.8 Å²	33.8	10%	0.104	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-53.4	176.1	-60.5	0	0	0	0	111.2	D185 L192 R193 E194 H216	D185-T190 WeakPolarHBondContact O-CB 3.37Å; D185-T190 PolarHBondContact O-N 3.09Å; D185-T190 PolarHBondContact O-OG1 3.31Å; T190-L192 VanDerWaalsContact C-N 3.31Å; T190-L192 PolarHBondContact O-N 3.09Å; T190-R193 PolarHBondContact O-N 3.01Å; T190-E194 HydrophobicContact CG2-CG 4.37Å; T190-E194 WeakPolarHBondContact O-CG 3.49Å; T190-E194 PolarHBondContact O-N 2.86Å; T190-H216 PolarHBondContact OG1-CE1 3.33Å; T190-H216 VanDerWaalsContact OG1-CE1 3.3Å
191	P	98.7	Very high	98.1	Very high	28 Å²	28	31.3 Å²	31.3	18%	0.182	17%	0.166	C	C	.	.	H	α-helix	trans	-61.2	-36.2	175.1	-26.1	35.7	0	0	0	113.6	L100 E186 F188 H195	L100-P191 HydrophobicContact CB-CB 4.43Å; L100-P191 HydrophobicContact CD2-CB 3.89Å; E186-P191 VanDerWaalsContact O-CD 3.28Å; E186-P191 WeakPolarHBondContact O-CD 3.45Å; F188-P191 WeakPolarHBondContact O-CD 3.38Å; P191-H195 VanDerWaalsContact O-CB 3.3Å; P191-H195 WeakPolarHBondContact O-CB 3.47Å; P191-H195 PolarHBondContact O-N 3.47Å
192	L	98.8	Very high	98.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.	I	π-helix	trans	-61.8	-48.8	176.4	-179	64.5	0	0	0	110.8	L100 L105 F144 F188 I189 T190 Y196 L197	L100-L192 HydrophobicContact CD2-CB 4.05Å; L105-L192 HydrophobicContact CD2-CD1 4.15Å; F144-L192 HydrophobicContact CZ-CD2 4.04Å; F188-L192 HydrophobicContact CE1-CD2 4.14Å; F188-L192 VanDerWaalsContact O-CB 3.32Å; F188-L192 WeakPolarHBondContact O-CB 3.46Å; F188-L192 PolarHBondContact O-N 2.96Å; I189-L192 PolarHBondContact O-N 3.47Å; T190-L192 VanDerWaalsContact C-N 3.31Å; T190-L192 PolarHBondContact O-N 3.09Å; L192-Y196 HydrophobicContact CD1-CD2 4.43Å; L192-Y196 WeakPolarHBondContact O-CB 3.25Å; L192-Y196 PolarHBondContact O-N 2.88Å; L192-L197 HydrophobicContact CD2-CD1 4.42Å; L192-L197 HydrophobicContact CG-CD1 4.04Å; L192-L197 HydrophobicContact CG-CG 4.25Å; L192-L197 WeakPolarHBondContact O-CG 3.42Å; L192-L197 PolarHBondContact O-N 3.43Å; L192-L197 VanDerWaalsContact O-N 3.09Å
193	R	98.6	Very high	98.2	Very high	6 Å²	6	33.2 Å²	33.2	2%	0.023	18%	0.179	C	C	.	.	I	π-helix	trans	-58.2	-55.7	176.3	173.7	178.6	58.4	78.6	7.2	110.8	I189 T190 L197 Q198 L213 H216 M306	I189-R193 WeakPolarHBondContact O-CB 3.4Å; I189-R193 PolarHBondContact O-N 3.21Å; T190-R193 PolarHBondContact O-N 3.01Å; R193-L197 PolarHBondContact O-N 3.39Å; R193-Q198 VanDerWaalsContact O-CB 3.31Å; R193-Q198 WeakPolarHBondContact O-CB 3.4Å; R193-Q198 PolarHBondContact O-N 2.92Å; R193-L213 PolarHBondContact NH1-O 3.37Å; R193-H216 PolarHBondContact NE-ND1 3.34Å; R193-M306 HydrophobicContact CG-CG 4.22Å; R193-M306 HydrophobicContact CG-SD 4.1Å
194	E	98.4	Very high	98.3	Very high	84 Å²	84	31.1 Å²	31.1	39%	0.393	16%	0.157	S	C	.	.	I	π-helix	trans	-72.7	-43.9	-167.7	-69.1	-179.3	172.5	0	0	112.6	T190	T190-E194 HydrophobicContact CG2-CG 4.37Å; T190-E194 WeakPolarHBondContact O-CG 3.49Å; T190-E194 PolarHBondContact O-N 2.86Å
195	H	98.4	Very high	98.3	Very high	110 Å²	110	31 Å²	31	51%	0.509	16%	0.157	S	C	.	.	I	π-helix	trans	-91	-25.7	-171.8	-56.3	152.3	0	0	0	113.7	V113 P191	V113-H195 WeakPolarHBondContact CG1-O 3.2Å; P191-H195 VanDerWaalsContact O-CB 3.3Å; P191-H195 WeakPolarHBondContact O-CB 3.47Å; P191-H195 PolarHBondContact O-N 3.47Å
196	Y	98.5	Very high	98.2	Very high	39 Å²	39	32.1 Å²	32.1	15%	0.153	17%	0.165	C	C	.	.	I	π-helix	trans	-120.6	-40.6	-171.2	-58.2	-84.6	0	0	0	113.7	L100 L105 L109 K110 V113 L192 L200	L100-Y196 HydrophobicContact CD2-CD2 4.01Å; L100-Y196 HydrophobicContact CD2-CE2 3.69Å; L105-Y196 HydrophobicContact CD1-CD1 3.59Å; L105-Y196 HydrophobicContact CD1-CD2 3.87Å; L105-Y196 HydrophobicContact CD1-CE1 3.17Å; L105-Y196 HydrophobicContact CD1-CE2 3.46Å; L105-Y196 VanDerWaalsContact CD1-CE2 3.46Å; L105-Y196 HydrophobicContact CD1-CG 3.92Å; L105-Y196 WeakPolarHBondContact CD1-OH 3.33Å; L109-Y196 HydrophobicContact CD2-CD1 4.46Å; K110-Y196 HydrophobicContact CG-CE1 4.44Å; V113-Y196 HydrophobicContact CG2-CD1 4.11Å; V113-Y196 WeakPolarHBondContact CG2-O 3.44Å; L192-Y196 HydrophobicContact CD1-CD2 4.43Å; L192-Y196 WeakPolarHBondContact O-CB 3.25Å; L192-Y196 PolarHBondContact O-N 2.88Å; Y196-L200 WeakPolarHBondContact O-CD1 3.17Å; Y196-L200 WeakPolarHBondContact O-CG 3.31Å
197	L	98.6	Very high	98.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	I	π-helix	trans	-89	-41.2	-175.3	-56.3	-179.8	0	0	0	113.1	L192 R193 L200 A201 L242 M306	L192-L197 HydrophobicContact CD2-CD1 4.42Å; L192-L197 HydrophobicContact CG-CD1 4.04Å; L192-L197 HydrophobicContact CG-CG 4.25Å; L192-L197 WeakPolarHBondContact O-CG 3.42Å; L192-L197 PolarHBondContact O-N 3.43Å; L192-L197 VanDerWaalsContact O-N 3.09Å; R193-L197 PolarHBondContact O-N 3.39Å; L197-L200 PolarHBondContact O-N 3.14Å; L197-A201 WeakPolarHBondContact O-CB 3.43Å; L197-A201 PolarHBondContact O-N 2.79Å; L197-L242 HydrophobicContact CD1-CB 4.38Å; L197-L242 HydrophobicContact CD1-CD2 3.66Å; L197-L242 HydrophobicContact CD2-CD2 3.77Å; L197-L242 HydrophobicContact CG-CD2 4.38Å; L197-M306 HydrophobicContact CB-CE 4.11Å; L197-M306 HydrophobicContact CB-SD 3.6Å; L197-M306 HydrophobicContact CD1-CE 4.05Å; L197-M306 HydrophobicContact CD1-SD 3.66Å; L197-M306 HydrophobicContact CG-SD 4.29Å
198	Q	98.3	Very high	97.9	Very high	49 Å²	49	27.6 Å²	27.6	23%	0.229	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-39.1	-179.5	-175.9	176.5	-30.8	0	0	113.5	R193 L200 A201 S202 R211 L213	R193-Q198 VanDerWaalsContact O-CB 3.31Å; R193-Q198 WeakPolarHBondContact O-CB 3.4Å; R193-Q198 PolarHBondContact O-N 2.92Å; Q198-L200 VanDerWaalsContact C-N 3.31Å; Q198-L200 PolarHBondContact O-N 2.87Å; Q198-A201 PolarHBondContact O-N 2.84Å; Q198-S202 VanDerWaalsContact O-CB 3.29Å; Q198-S202 WeakPolarHBondContact O-CB 3.47Å; Q198-S202 PolarHBondContact O-N 2.83Å; Q198-S202 PolarHBondContact O-OG 3.5Å; Q198-R211 PolarHBondContact NE2-O 3.34Å; Q198-L213 PolarHBondContact OE1-O 3.05Å
199	P	98.2	Very high	97.7	Very high	30 Å²	30	27.8 Å²	27.8	20%	0.195	15%	0.148	C	C	.	.	H	α-helix	trans	-60.3	-38.8	174.4	-26.5	36.6	0	0	0	113.3	V113 C116	V113-P199 HydrophobicContact CG1-CG 4.39Å; C116-P199 HydrophobicContact CB-CB 3.78Å; C116-P199 PolarHBondContact SG-O 2.98Å
200	L	98.5	Very high	97.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.5	-50.1	175.5	-57.7	169.6	0	0	0	110.2	L109 L112 V113 L126 L141 Y196 L197 Q198 S202 L203 L204 L282	L109-L200 HydrophobicContact CD1-CD1 3.78Å; L112-L200 HydrophobicContact CB-CD2 3.8Å; V113-L200 HydrophobicContact CG2-CG 4.4Å; L126-L200 HydrophobicContact CD1-CD2 4.08Å; L126-L200 HydrophobicContact CD2-CD2 4.14Å; L141-L200 HydrophobicContact CD1-CD1 3.79Å; L141-L200 HydrophobicContact CD2-CD1 4.23Å; Y196-L200 WeakPolarHBondContact O-CD1 3.17Å; Y196-L200 WeakPolarHBondContact O-CG 3.31Å; L197-L200 PolarHBondContact O-N 3.14Å; Q198-L200 VanDerWaalsContact C-N 3.31Å; Q198-L200 PolarHBondContact O-N 2.87Å; L200-S202 PolarHBondContact O-N 3.35Å; L200-L203 PolarHBondContact O-N 3.29Å; L200-L203 VanDerWaalsContact O-N 3.17Å; L200-L204 HydrophobicContact CB-CD1 4.34Å; L200-L204 WeakPolarHBondContact O-CG 3.27Å; L200-L204 PolarHBondContact O-N 3.38Å; L200-L282 HydrophobicContact CB-CD2 4.42Å
201	A	98.4	Very high	97.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-30.5	-179.3	0	0	0	0	0	113	L197 Q198 L203 Y205 L213 V240	L197-A201 WeakPolarHBondContact O-CB 3.43Å; L197-A201 PolarHBondContact O-N 2.79Å; Q198-A201 PolarHBondContact O-N 2.84Å; A201-L203 VanDerWaalsContact C-N 3.26Å; A201-L203 PolarHBondContact O-N 2.84Å; A201-Y205 HydrophobicContact CB-CD2 4.33Å; A201-Y205 CarbonylContact O-C 3.6Å; A201-Y205 WeakPolarHBondContact O-CA 3.41Å; A201-Y205 WeakPolarHBondContact O-CB 3.32Å; A201-Y205 PolarHBondContact O-N 3.19Å; A201-L213 HydrophobicContact CB-CD1 3.62Å; A201-V240 HydrophobicContact CB-CG1 4.46Å; A201-V240 HydrophobicContact CB-CG2 4.34Å
202	S	98.1	Very high	97.4	Very high	26 Å²	26	34.5 Å²	34.5	18%	0.182	17%	0.171	C	C	.	.	H	α-helix	trans	-62.4	-32	177.8	-67	0	0	0	0	113.4	Q198 L200 G210 R211	Q198-S202 VanDerWaalsContact O-CB 3.29Å; Q198-S202 WeakPolarHBondContact O-CB 3.47Å; Q198-S202 PolarHBondContact O-N 2.83Å; Q198-S202 PolarHBondContact O-OG 3.5Å; L200-S202 PolarHBondContact O-N 3.35Å; S202-G210 PolarHBondContact N-O 3.23Å; S202-G210 PolarHBondContact OG-O 2.78Å; S202-R211 PolarHBondContact O-NE 2.77Å; S202-R211 WeakPolarHBondContact OG-CA 3.35Å
203	L	98.1	Very high	97.4	Very high	35 Å²	35	34.5 Å²	34.5	18%	0.183	17%	0.171	C	C	.	.	H	α-helix	trans	-92	-42	177	-65	-177.3	0	0	0	112	Y115 C116 A121 L126 L200 A201 P206	Y115-L203 HydrophobicContact CE1-CD1 4.43Å; C116-L203 HydrophobicContact CB-CD1 4.25Å; A121-L203 HydrophobicContact CB-CD1 4.09Å; L126-L203 HydrophobicContact CB-CD1 4.47Å; L126-L203 HydrophobicContact CD2-CB 4.05Å; L126-L203 HydrophobicContact CD2-CD1 4.14Å; L200-L203 PolarHBondContact O-N 3.29Å; L200-L203 VanDerWaalsContact O-N 3.17Å; A201-L203 VanDerWaalsContact C-N 3.26Å; A201-L203 PolarHBondContact O-N 2.84Å; L203-P206 WeakPolarHBondContact O-CD 3.32Å
204	L	98.1	Very high	97.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-81.4	-26.7	-173.8	-60.9	171.7	0	0	0	113.7	L126 L130 R137 Y139 L200 P206 L282	L126-L204 HydrophobicContact CD2-CD1 3.95Å; L126-L204 HydrophobicContact CD2-CD2 3.73Å; L126-L204 HydrophobicContact CD2-CG 3.65Å; L126-L204 HydrophobicContact CG-CD2 4.11Å; L130-L204 HydrophobicContact CD1-CD1 4.37Å; L130-L204 HydrophobicContact CD1-CD2 4.42Å; R137-L204 PolarHBondContact NH2-O 3.4Å; Y139-L204 HydrophobicContact CD1-CD2 4.4Å; Y139-L204 HydrophobicContact CD2-CB 4.24Å; Y139-L204 HydrophobicContact CD2-CD1 3.67Å; Y139-L204 HydrophobicContact CD2-CD2 4.18Å; Y139-L204 HydrophobicContact CD2-CG 4.23Å; Y139-L204 HydrophobicContact CE1-CD2 4.03Å; Y139-L204 HydrophobicContact CE2-CB 3.8Å; Y139-L204 HydrophobicContact CE2-CD1 4.03Å; Y139-L204 HydrophobicContact CE2-CD2 3.8Å; Y139-L204 HydrophobicContact CE2-CG 4.07Å; Y139-L204 HydrophobicContact CG-CD1 4.03Å; Y139-L204 HydrophobicContact CG-CD2 4.47Å; L200-L204 HydrophobicContact CB-CD1 4.34Å; L200-L204 WeakPolarHBondContact O-CG 3.27Å; L200-L204 PolarHBondContact O-N 3.38Å; L204-P206 VanDerWaalsContact C-CD 3.46Å; L204-L282 HydrophobicContact CD1-CD2 4.06Å
205	Y	97.7	Very high	97.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.			trans	-135.2	47.6	-173.4	-54.9	-63.7	0	0	0	114.1	R137 Y139 A201 D207 C208 G210 V240 L282 H283 R284	R137-Y205 HydrophobicContact CB-CE1 4.29Å; R137-Y205 PolarHBondContact O-OH 2.98Å; Y139-Y205 HydrophobicContact CD2-CE2 4.27Å; Y139-Y205 AromaticContact CD2-CZ 3.77Å; Y139-Y205 WeakPolarHBondContact CD2-OH 3.35Å; Y139-Y205 HydrophobicContact CE2-CE1 4.07Å; Y139-Y205 HydrophobicContact CE2-CE2 4.37Å; Y139-Y205 AromaticContact CE2-CZ 3.68Å; Y139-Y205 VanDerWaalsContact CE2-OH 3.32Å; Y139-Y205 WeakPolarHBondContact CE2-OH 3.24Å; A201-Y205 HydrophobicContact CB-CD2 4.33Å; A201-Y205 CarbonylContact O-C 3.6Å; A201-Y205 WeakPolarHBondContact O-CA 3.41Å; A201-Y205 WeakPolarHBondContact O-CB 3.32Å; A201-Y205 PolarHBondContact O-N 3.19Å; Y205-D207 PolarHBondContact O-N 3.46Å; Y205-C208 PolarHBondContact O-N 2.98Å; Y205-G210 WeakPolarHBondContact O-CA 3.43Å; Y205-G210 PolarHBondContact O-N 3.27Å; Y205-V240 HydrophobicContact CD2-CG1 3.82Å; Y205-V240 HydrophobicContact CD2-CG2 3.84Å; Y205-V240 HydrophobicContact CE2-CG1 3.94Å; Y205-V240 HydrophobicContact CG-CG2 4.05Å; Y205-L282 HydrophobicContact CD2-CD2 4.46Å; Y205-L282 HydrophobicContact CE2-CD2 3.77Å; Y205-L282 HydrophobicContact CE2-CG 3.9Å; Y205-L282 PolarHBondContact OH-O 3.4Å; Y205-H283 VanDerWaalsContact OH-CA 3.25Å; Y205-H283 WeakPolarHBondContact OH-CA 3.3Å; Y205-R284 HydrophobicContact CD1-CG 3.34Å; Y205-R284 HydrophobicContact CE1-CG 3.5Å; Y205-R284 VanDerWaalsContact CE1-CG 3.5Å; Y205-R284 HydrophobicContact CG-CG 4.24Å
206	P	96.3	Very high	97.3	Very high	51 Å²	51	27.4 Å²	27.4	33%	0.331	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-65.4	-26.1	-179.2	29.1	-35.8	0	0	0	112.7	L203 L204	L203-P206 WeakPolarHBondContact O-CD 3.32Å; L204-P206 VanDerWaalsContact C-CD 3.46Å
207	D	94.6	Very high	97.3	Very high	89 Å²	89	28.1 Å²	28.1	48%	0.476	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-77.3	-14.6	-176.8	63.2	-48.7	0	0	0	114.5	R137 Y205 R284	R137-D207 IonicContact CZ-OD1 3.2Å; R137-D207 IonicContact CZ-OD2 2.92Å; R137-D207 IonicContact NH1-OD1 2.83Å; R137-D207 PolarHBondContact NH1-OD1 2.96Å; R137-D207 IonicContact NH1-OD2 3.31Å; R137-D207 PolarHBondContact NH1-OD2 3.41Å; R137-D207 IonicContact NH2-OD1 2.67Å; R137-D207 PolarHBondContact NH2-OD1 2.98Å; R137-D207 IonicContact NH2-OD2 3.77Å; Y205-D207 PolarHBondContact O-N 3.46Å; D207-R284 IonicContact OD2-CZ 3.99Å; D207-R284 IonicContact OD2-NH1 2.81Å; D207-R284 PolarHBondContact OD2-NH1 2.84Å
208	C	93	Very high	97.3	Very high	14 Å²	14	28.1 Å²	28.1	10%	0.095	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-126.4	26.7	180	73	0	0	0	0	113.7	Y205 E239	Y205-C208 PolarHBondContact O-N 2.98Å; C208-E239 WeakPolarHBondContact O-CB 3.39Å; C208-E239 VanDerWaalsContact O-CG 3.31Å; C208-E239 WeakPolarHBondContact O-CG 3.44Å
209	G	95.1	Very high	97.3	Very high	5 Å²	5	26 Å²	26	5%	0.052	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	16.1	173.3	0	0	0	0	0	115.1	R211 C212	G209-R211 PolarHBondContact O-N 3.13Å; G209-C212 PolarHBondContact O-N 3.03Å; G209-C212 PolarHBondContact O-SG 3.15Å
210	G	97.3	Very high	97.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-19.3	178.4	0	0	0	0	0	114.8	S202 Y205	S202-G210 PolarHBondContact N-O 3.23Å; S202-G210 PolarHBondContact OG-O 2.78Å; Y205-G210 WeakPolarHBondContact O-CA 3.43Å; Y205-G210 PolarHBondContact O-N 3.27Å
211	R	96.6	Very high	97.2	Very high	165 Å²	165	24.6 Å²	24.6	62%	0.623	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-16.8	176.6	-63.2	179.9	-178.9	175.6	0.1	114.7	Q198 S202 G209	Q198-R211 PolarHBondContact NE2-O 3.34Å; S202-R211 PolarHBondContact O-NE 2.77Å; S202-R211 WeakPolarHBondContact OG-CA 3.35Å; G209-R211 PolarHBondContact O-N 3.13Å
212	C	96.3	Very high	97	Very high	21 Å²	21	25.9 Å²	25.9	14%	0.142	13%	0.13	C	C	.	.			trans	-135.8	37.4	-171.2	54.4	0	0	0	0	112	G209 D214 A308 Q310	G209-C212 PolarHBondContact O-N 3.03Å; G209-C212 PolarHBondContact O-SG 3.15Å; C212-D214 PolarHBondContact O-N 2.82Å; C212-A308 WeakPolarHBondContact O-CA 3.12Å; C212-A308 WeakPolarHBondContact O-CB 3.23Å; C212-Q310 HydrophobicContact CB-CG 4.46Å
213	L	97.9	Very high	96.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.122	C	C	.	.			trans	-67.9	97.1	173.3	-63.3	172.8	0	0	0	109	R193 Q198 A201 E239 V240 M306 R307 A308	R193-L213 PolarHBondContact NH1-O 3.37Å; Q198-L213 PolarHBondContact OE1-O 3.05Å; A201-L213 HydrophobicContact CB-CD1 3.62Å; L213-E239 HydrophobicContact CD2-CB 4.09Å; L213-V240 HydrophobicContact CD1-CB 4.28Å; L213-V240 HydrophobicContact CD1-CG2 4.29Å; L213-V240 HydrophobicContact CD2-CB 4.47Å; L213-V240 HydrophobicContact CD2-CG2 4.28Å; L213-M306 HydrophobicContact CB-CB 4.29Å; L213-M306 HydrophobicContact CD1-CB 3.88Å; L213-M306 HydrophobicContact CD1-CE 4.4Å; L213-M306 HydrophobicContact CD1-SD 4Å; L213-M306 HydrophobicContact CD2-CB 3.94Å; L213-M306 HydrophobicContact CG-CB 4.24Å; L213-R307 CarbonylContact C-O 3.59Å; L213-R307 VanDerWaalsContact CA-O 3.22Å; L213-R307 WeakPolarHBondContact CA-O 3.48Å; L213-A308 HydrophobicContact CD2-CB 4.25Å
214	D	97.6	Very high	96.7	Very high	47 Å²	47	23.3 Å²	23.3	25%	0.251	12%	0.115	S	C	.	.			trans	-109.9	-0.6	-168.6	58.9	8	0	0	0	114.2	F11 C212 R307 S309	F11-D214 VanDerWaalsContact CZ-O 3.31Å; F11-D214 WeakPolarHBondContact CZ-O 3.39Å; C212-D214 PolarHBondContact O-N 2.82Å; D214-R307 PolarHBondContact N-O 3.29Å; D214-S309 PolarHBondContact OD1-N 2.94Å; D214-S309 WeakPolarHBondContact OD2-CB 3.39Å; D214-S309 PolarHBondContact OD2-N 3.35Å; D214-S309 PolarHBondContact OD2-OG 2.75Å
215	S	98.1	Very high	96.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	162.9	177.9	49.6	0	0	0	0	111.1	R307 F331 G334	S215-R307 PolarHBondContact N-O 3.35Å; S215-R307 PolarHBondContact O-N 3.01Å; S215-R307 WeakPolarHBondContact OG-CB 3.2Å; S215-F331 VanDerWaalsContact CB-CD1 3.45Å; S215-G334 VanDerWaalsContact OG-CA 3.24Å; S215-G334 WeakPolarHBondContact OG-CA 3.35Å
216	H	98.3	Very high	96.1	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.019	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	166.4	176.3	59	-95.4	0	0	0	113.2	D185 I189 T190 R193 V304 W305 F331	D185-H216 IonicContact OD1-CD2 3.45Å; D185-H216 PolarHBondContact OD1-CD2 3.2Å; D185-H216 IonicContact OD1-NE2 2.72Å; D185-H216 PolarHBondContact OD1-NE2 3.47Å; D185-H216 IonicContact OD2-NE2 3.4Å; I189-H216 WeakPolarHBondContact CG2-CD2 3.47Å; I189-H216 VanDerWaalsContact CG2-NE2 3.3Å; I189-H216 WeakPolarHBondContact CG2-NE2 3.09Å; T190-H216 PolarHBondContact OG1-CE1 3.33Å; T190-H216 VanDerWaalsContact OG1-CE1 3.3Å; R193-H216 PolarHBondContact NE-ND1 3.34Å; H216-V304 HydrophobicContact CB-CG1 4.27Å; H216-W305 CarbonylContact C-O 3.5Å; H216-W305 WeakPolarHBondContact CA-O 3.36Å; H216-W305 WeakPolarHBondContact CB-O 3.29Å; H216-F331 AromaticContact CE1-CD2 3.91Å; H216-F331 AromaticContact CE1-CE2 3.31Å; H216-F331 WeakPolarHBondContact CE1-CE2 3.28Å; H216-F331 AromaticContact ND1-CE2 3.75Å; H216-F331 AromaticContact NE2-CE2 3.75Å
217	K	97.7	Very high	95.9	Very high	55 Å²	55	35.6 Å²	35.6	24%	0.239	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	121.2	160	179.9	179.2	174.1	-177.9	0	107.7	P169 F219 W305	P169-K217 PolarHBondContact O-NZ 3.03Å; K217-F219 HydrophobicContact CD-CD1 4.48Å; K217-F219 HydrophobicContact CG-CD1 4.22Å; K217-W305 HydrophobicContact CB-CB 4.38Å; K217-W305 HydrophobicContact CB-CE3 4.39Å; K217-W305 HydrophobicContact CD-CE3 4.1Å; K217-W305 HydrophobicContact CD-CZ3 4.26Å; K217-W305 PolarHBondContact N-O 3.28Å; K217-W305 PolarHBondContact O-N 3.39Å
218	A	98.4	Very high	95.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.8	177	0	0	0	0	0	111.6	L179 I189 I303 V304	L179-A218 HydrophobicContact CB-CB 4.31Å; L179-A218 HydrophobicContact CD1-CB 4.18Å; L179-A218 PolarHBondContact N-O 3.5Å; I189-A218 HydrophobicContact CB-CB 4.39Å; I189-A218 HydrophobicContact CD1-CB 3.69Å; I189-A218 HydrophobicContact CG1-CB 3.79Å; I189-A218 HydrophobicContact CG2-CB 3.8Å; A218-I303 VanDerWaalsContact CA-O 3.27Å; A218-I303 WeakPolarHBondContact CA-O 3.37Å; A218-V304 HydrophobicContact CB-CG1 4.5Å; A218-V304 HydrophobicContact CB-CG2 4.25Å
219	F	98.4	Very high	95.5	Very high	3 Å²	3	34.7 Å²	34.7	1%	0.013	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	157.7	178.6	55.9	-86.5	0	0	0	109.8	P169 N170 I177 L178 K217 V221 I303 W305	P169-F219 HydrophobicContact CB-CB 3.99Å; P169-F219 HydrophobicContact CB-CD2 3.73Å; P169-F219 HydrophobicContact CB-CG 4.08Å; N170-F219 WeakPolarHBondContact ND2-CE2 3.15Å; I177-F219 CarbonylContact O-C 3.33Å; I177-F219 WeakPolarHBondContact O-CA 3.43Å; I177-F219 VanDerWaalsContact O-CB 3.31Å; I177-F219 WeakPolarHBondContact O-CB 3.43Å; L178-F219 HydrophobicContact CD2-CB 4.22Å; K217-F219 HydrophobicContact CD-CD1 4.48Å; K217-F219 HydrophobicContact CG-CD1 4.22Å; F219-V221 HydrophobicContact CD2-CG1 3.77Å; F219-V221 HydrophobicContact CE2-CG1 3.75Å; F219-I303 HydrophobicContact CD2-CB 4.06Å; F219-I303 HydrophobicContact CD2-CG1 4.18Å; F219-I303 HydrophobicContact CE1-CB 4.14Å; F219-I303 HydrophobicContact CE1-CG2 4.03Å; F219-I303 HydrophobicContact CE2-CB 3.64Å; F219-I303 HydrophobicContact CE2-CG1 3.68Å; F219-I303 HydrophobicContact CE2-CG2 4.03Å; F219-I303 HydrophobicContact CG-CB 4.48Å; F219-I303 HydrophobicContact CZ-CB 3.69Å; F219-I303 HydrophobicContact CZ-CG1 4.15Å; F219-I303 HydrophobicContact CZ-CG2 3.58Å; F219-I303 PolarHBondContact N-O 3.08Å; F219-I303 PolarHBondContact O-N 3.06Å; F219-W305 AromaticContact CE1-CD2 3.77Å; F219-W305 HydrophobicContact CE1-CD2 3.77Å; F219-W305 AromaticContact CE1-CE2 3.66Å; F219-W305 HydrophobicContact CE1-CE3 4.14Å; F219-W305 HydrophobicContact CE1-CG 4.23Å; F219-W305 HydrophobicContact CE1-CH2 4.31Å; F219-W305 AromaticContact CE1-CZ2 3.97Å; F219-W305 HydrophobicContact CE1-CZ2 3.97Å; F219-W305 HydrophobicContact CE1-CZ3 4.39Å; F219-W305 HydrophobicContact CZ-CD2 4.28Å; F219-W305 AromaticContact CZ-CE2 3.67Å; F219-W305 HydrophobicContact CZ-CH2 4.34Å; F219-W305 AromaticContact CZ-CZ2 3.73Å; F219-W305 HydrophobicContact CZ-CZ2 3.73Å; F219-W305 AromaticContact CZ-NE1 3.9Å
220	V	98.1	Very high	95.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	140	173.5	175.2	0	0	0	0	108.5	L156 G176 I177 L179 L246 W300 N301 L302	L156-V220 HydrophobicContact CD1-CB 4.4Å; L156-V220 HydrophobicContact CD1-CG1 4.15Å; L156-V220 HydrophobicContact CD1-CG2 3.81Å; L156-V220 HydrophobicContact CD2-CG2 4.47Å; G176-V220 CarbonylContact C-O 3.58Å; G176-V220 WeakPolarHBondContact CA-O 3.31Å; I177-V220 PolarHBondContact N-O 3.38Å; I177-V220 PolarHBondContact O-N 2.86Å; L179-V220 HydrophobicContact CD1-CG2 4.08Å; L179-V220 HydrophobicContact CD2-CG2 4.01Å; L179-V220 HydrophobicContact CG-CG2 4.18Å; V220-L246 HydrophobicContact CG1-CD1 4.48Å; V220-L246 HydrophobicContact CG2-CD1 4.3Å; V220-W300 HydrophobicContact CG1-CE3 3.52Å; V220-W300 HydrophobicContact CG1-CZ3 4.06Å; V220-N301 CarbonylContact C-O 3.45Å; V220-N301 VanDerWaalsContact CA-O 3.23Å; V220-N301 WeakPolarHBondContact CA-O 3.17Å; V220-N301 WeakPolarHBondContact CG1-O 3.43Å; V220-L302 HydrophobicContact CG2-CD1 4.23Å
221	V	96.9	Very high	95.1	Very high	2 Å²	2	39 Å²	39	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	145.4	171.4	-62.1	0	0	0	0	109.8	N173 F219 Y223 W300 N301 I303	N173-V221 HydrophobicContact CB-CG1 4.08Å; F219-V221 HydrophobicContact CD2-CG1 3.77Å; F219-V221 HydrophobicContact CE2-CG1 3.75Å; V221-Y223 HydrophobicContact CB-CE2 4.46Å; V221-Y223 HydrophobicContact CG2-CE2 3.72Å; V221-W300 WeakPolarHBondContact O-CA 3.29Å; V221-N301 HydrophobicContact CG2-CB 3.8Å; V221-N301 PolarHBondContact N-O 3.33Å; V221-N301 PolarHBondContact O-N 3Å; V221-I303 HydrophobicContact CG1-CG1 4.5Å; V221-I303 HydrophobicContact CG2-CD1 4.49Å; V221-I303 HydrophobicContact CG2-CG1 4.26Å
222	K	95.3	Very high	94.9	Very high	26 Å²	26	34.9 Å²	34.9	11%	0.113	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.4	179.5	-179.7	-170.7	175.6	-155.4	0	109.4	Y175 E227 W300	Y175-K222 PolarHBondContact O-N 3.19Å; K222-E227 WeakPolarHBondContact CD-OE2 3.06Å; K222-E227 WeakPolarHBondContact CE-OE2 3.47Å; K222-E227 IonicContact NZ-OE1 3.75Å; K222-E227 PolarHBondContact NZ-OE1 3.37Å; K222-E227 IonicContact NZ-OE2 3.75Å; K222-E227 PolarHBondContact NZ-OE2 3.01Å; K222-W300 HydrophobicContact CB-CD2 4.35Å; K222-W300 HydrophobicContact CB-CE3 4.47Å; K222-W300 HydrophobicContact CB-CZ2 4.46Å; K222-W300 HydrophobicContact CD-CH2 4.08Å; K222-W300 HydrophobicContact CD-CZ2 3.58Å; K222-W300 HydrophobicContact CG-CD2 4.27Å; K222-W300 HydrophobicContact CG-CZ2 3.95Å
223	Y	95.1	Very high	94.7	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.016	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	131.4	167.7	-55.2	-85.1	0	0	0	109	V221 D228 D230 L231 Q298 R299	V221-Y223 HydrophobicContact CB-CE2 4.46Å; V221-Y223 HydrophobicContact CG2-CE2 3.72Å; Y223-D228 WeakPolarHBondContact CA-O 3.5Å; Y223-D228 WeakPolarHBondContact CB-O 3.4Å; Y223-D228 HydrophobicContact CD1-CB 4.14Å; Y223-D228 HydrophobicContact CE1-CB 4.45Å; Y223-D230 WeakPolarHBondContact CE1-O 3.49Å; Y223-L231 HydrophobicContact CE1-CB 4.44Å; Y223-Q298 CarbonylContact O-C 3.48Å; Y223-Q298 VanDerWaalsContact O-CA 3.32Å; Y223-Q298 WeakPolarHBondContact O-CA 3.32Å; Y223-R299 HydrophobicContact CD2-CB 4.37Å; Y223-R299 HydrophobicContact CD2-CG 4.29Å; Y223-R299 PolarHBondContact N-O 3.15Å; Y223-R299 PolarHBondContact O-N 2.72Å
224	A	94.7	Very high	94.5	Very high	3 Å²	3	37.5 Å²	37.5	3%	0.025	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	159	-179.8	0	0	0	0	0	111.3	N226 E227 D228 L229 Q298	A224-N226 PolarHBondContact O-N 2.92Å; A224-E227 HydrophobicContact CB-CB 4.17Å; A224-E227 HydrophobicContact CB-CG 4.24Å; A224-E227 WeakPolarHBondContact CB-OE2 3.34Å; A224-E227 PolarHBondContact O-N 3.29Å; A224-D228 PolarHBondContact N-O 2.65Å; A224-D228 VanDerWaalsContact N-O 3.13Å; A224-L229 WeakPolarHBondContact O-CD2 3.49Å; A224-Q298 HydrophobicContact CB-CG 3.88Å
225	M	93.4	Very high	94.4	Very high	97 Å²	97	37.6 Å²	37.6	48%	0.478	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	126.9	173.9	-60.2	-54.3	-58.9	0	0	111.1	E227 L229	M225-E227 VanDerWaalsContact C-N 3.27Å; M225-L229 HydrophobicContact SD-CD2 4.23Å
226	N	89.4	Confident	94.3	Very high	155 Å²	155	37.9 Å²	37.9	83%	0.829	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.5	8.6	-174.8	-41.2	-69	0	0	0	116	A224	A224-N226 PolarHBondContact O-N 2.92Å
227	E	91.9	Very high	94.2	Very high	57 Å²	57	39.1 Å²	39.1	27%	0.266	20%	0.2	S	C	.	.	S	Bend	trans	-111.1	-146	169	-65.9	-178.7	-178.7	0	0	108.9	Y175 K222 A224 M225	Y175-E227 HydrophobicContact CD1-CB 4.49Å; Y175-E227 HydrophobicContact CD1-CG 4.16Å; Y175-E227 HydrophobicContact CD2-CB 3.66Å; Y175-E227 HydrophobicContact CD2-CG 4.18Å; Y175-E227 HydrophobicContact CE1-CB 4.45Å; Y175-E227 HydrophobicContact CE1-CG 3.92Å; Y175-E227 HydrophobicContact CE2-CB 3.62Å; Y175-E227 HydrophobicContact CE2-CG 3.97Å; Y175-E227 HydrophobicContact CG-CB 4.11Å; Y175-E227 HydrophobicContact CG-CG 4.27Å; K222-E227 WeakPolarHBondContact CD-OE2 3.06Å; K222-E227 WeakPolarHBondContact CE-OE2 3.47Å; K222-E227 IonicContact NZ-OE1 3.75Å; K222-E227 PolarHBondContact NZ-OE1 3.37Å; K222-E227 IonicContact NZ-OE2 3.75Å; K222-E227 PolarHBondContact NZ-OE2 3.01Å; A224-E227 HydrophobicContact CB-CB 4.17Å; A224-E227 HydrophobicContact CB-CG 4.24Å; A224-E227 WeakPolarHBondContact CB-OE2 3.34Å; A224-E227 PolarHBondContact O-N 3.29Å; M225-E227 VanDerWaalsContact C-N 3.27Å
228	D	88.3	Confident	94.2	Very high	21 Å²	21	36.6 Å²	36.6	11%	0.112	19%	0.189	C	C	.	.			trans	-68.3	132.4	167.4	-65.4	-30.8	0	0	0	109.2	N173 H174 Y175 Y223 A224	N173-D228 WeakPolarHBondContact CA-OD2 3.34Å; H174-D228 IonicContact CG-OD1 3.82Å; H174-D228 PolarHBondContact N-OD2 3.21Å; H174-D228 IonicContact ND1-OD1 3.34Å; H174-D228 PolarHBondContact ND1-OD1 3.22Å; H174-D228 IonicContact ND1-OD2 3.29Å; Y175-D228 HydrophobicContact CD2-CB 4.43Å; Y175-D228 PolarHBondContact N-OD2 3.03Å; Y223-D228 WeakPolarHBondContact CA-O 3.5Å; Y223-D228 WeakPolarHBondContact CB-O 3.4Å; Y223-D228 HydrophobicContact CD1-CB 4.14Å; Y223-D228 HydrophobicContact CE1-CB 4.45Å; A224-D228 PolarHBondContact N-O 2.65Å; A224-D228 VanDerWaalsContact N-O 3.13Å
229	L	90.4	Very high	94.1	Very high	64 Å²	64	37.3 Å²	37.3	34%	0.335	19%	0.193	S	C	.	.			trans	-103.9	-33	176.7	-66	177.3	0	0	0	112.4	A224 M225 P293 I294	A224-L229 WeakPolarHBondContact O-CD2 3.49Å; M225-L229 HydrophobicContact SD-CD2 4.23Å; L229-P293 HydrophobicContact CB-CB 4.41Å; L229-P293 VanDerWaalsContact O-CA 3.27Å; L229-P293 WeakPolarHBondContact O-CA 3.2Å; L229-I294 HydrophobicContact CD2-CG1 4.02Å; L229-I294 PolarHBondContact O-N 3.39Å; L229-I294 VanDerWaalsContact O-N 3.11Å
230	D	92.6	Very high	94.2	Very high	78 Å²	78	37.2 Å²	37.2	42%	0.417	19%	0.192	S	C	.	.			trans	-139.8	179	-172.8	67.5	36.3	0	0	0	111	Y223 A291 P293	Y223-D230 WeakPolarHBondContact CE1-O 3.49Å; D230-A291 WeakPolarHBondContact CB-O 3.37Å; D230-P293 HydrophobicContact CB-CB 4.19Å
231	L	92.9	Very high	94.2	Very high	18 Å²	18	37.2 Å²	37.2	9%	0.094	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	122.1	168.9	-168.9	62.2	0	0	0	109.5	M172 Y223 H234 G290 A291	M172-L231 HydrophobicContact CB-CD1 3.55Å; M172-L231 HydrophobicContact CE-CD1 4.12Å; M172-L231 HydrophobicContact CE-CG 4.47Å; Y223-L231 HydrophobicContact CE1-CB 4.44Å; L231-H234 WeakPolarHBondContact CD2-CE1 3.46Å; L231-G290 WeakPolarHBondContact O-CA 3.42Å; L231-A291 HydrophobicContact CB-CB 3.93Å; L231-A291 PolarHBondContact N-O 3.35Å; L231-A291 VanDerWaalsContact N-O 3.1Å; L231-A291 PolarHBondContact O-N 3.03Å
232	S	91.9	Very high	94.3	Very high	78 Å²	78	37.1 Å²	37.1	55%	0.545	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	158.5	-178.7	-68.6	0	0	0	0	112.8	H234	S232-H234 PolarHBondContact O-N 3.15Å; S232-H234 PolarHBondContact O-ND1 3.36Å
233	Y	92.4	Very high	94.4	Very high	52 Å²	52	36.4 Å²	36.4	20%	0.204	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	120.7	-178.5	-166.5	-125.4	0	0	0	112.8	F256 G258 I265 T268 M288 H289	Y233-F256 HydrophobicContact CD2-CD2 4.2Å; Y233-F256 AromaticContact CD2-CE2 3.41Å; Y233-F256 HydrophobicContact CD2-CE2 3.41Å; Y233-F256 VanDerWaalsContact CD2-CE2 3.41Å; Y233-F256 HydrophobicContact CD2-CZ 4.12Å; Y233-F256 HydrophobicContact CE2-CD2 4.35Å; Y233-F256 AromaticContact CE2-CE2 3.96Å; Y233-F256 HydrophobicContact CE2-CE2 3.96Å; Y233-F256 HydrophobicContact CG-CE2 4.24Å; Y233-G258 WeakPolarHBondContact OH-CA 3.33Å; Y233-I265 HydrophobicContact CD1-CD1 3.63Å; Y233-I265 HydrophobicContact CD1-CG1 4.23Å; Y233-I265 HydrophobicContact CE1-CD1 3.92Å; Y233-I265 HydrophobicContact CE1-CG1 3.99Å; Y233-T268 WeakPolarHBondContact OH-CG2 3.43Å; Y233-M288 HydrophobicContact CD1-CB 4.35Å; Y233-M288 HydrophobicContact CD1-CE 3.53Å; Y233-M288 HydrophobicContact CD2-CB 4.33Å; Y233-M288 HydrophobicContact CE1-CB 3.59Å; Y233-M288 HydrophobicContact CE1-CE 3.67Å; Y233-M288 HydrophobicContact CE1-CG 4.19Å; Y233-M288 HydrophobicContact CE2-CB 3.58Å; Y233-M288 WeakPolarHBondContact CE2-O 3.05Å; Y233-M288 HydrophobicContact CG-CE 4.12Å; Y233-M288 WeakPolarHBondContact OH-CB 3.24Å; Y233-H289 CarbonylContact C-O 3.56Å; Y233-H289 WeakPolarHBondContact CA-O 3.38Å
234	H	93.7	Very high	94.6	Very high	24 Å²	24	36.2 Å²	36.2	11%	0.111	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	176	-171.9	66.6	-69.8	0	0	0	112	M172 L231 S232 D236 M288 H289	M172-H234 HydrophobicContact CE-CB 3.92Å; M172-H234 HydrophobicContact SD-CB 3.7Å; L231-H234 WeakPolarHBondContact CD2-CE1 3.46Å; S232-H234 PolarHBondContact O-N 3.15Å; S232-H234 PolarHBondContact O-ND1 3.36Å; H234-D236 IonicContact NE2-OD1 2.82Å; H234-M288 CarbonylContact O-C 3.39Å; H234-M288 VanDerWaalsContact O-CA 3.24Å; H234-M288 WeakPolarHBondContact O-CA 3.33Å; H234-H289 AromaticContact CE1-NE2 3.73Å; H234-H289 PolarHBondContact N-O 2.72Å; H234-H289 PolarHBondContact ND1-O 3.45Å; H234-H289 VanDerWaalsContact ND1-O 3.13Å; H234-H289 AromaticContact NE2-CE1 3.8Å; H234-H289 AromaticContact NE2-NE2 3.55Å; H234-H289 PolarHBondContact O-N 3.04Å
235	Y	94.4	Very high	94.8	Very high	48 Å²	48	36 Å²	36	19%	0.188	19%	0.187	C	C	.	.			trans	-121.4	159.8	167.7	67.8	-81.2	0	0	0	109.1	R261 M288	Y235-R261 VanDerWaalsContact CD1-CD 3.43Å; Y235-R261 HydrophobicContact CD1-CG 3.84Å; Y235-R261 VanDerWaalsContact CE1-CD 3.47Å; Y235-R261 HydrophobicContact CE1-CG 4.22Å; Y235-R261 VanDerWaalsContact CE1-CZ 3.47Å; Y235-R261 HydrophobicContact CG-CG 4.24Å; Y235-R261 VanDerWaalsContact CZ-NH1 3.34Å; Y235-R261 PolarHBondContact OH-NH1 2.96Å; Y235-R261 PolarHBondContact OH-NH2 3.29Å; Y235-M288 HydrophobicContact CD1-SD 3.9Å; Y235-M288 HydrophobicContact CG-SD 4.27Å
236	D	96.3	Very high	94.9	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.032	17%	0.165	C	C	.	.			trans	-90.3	150.5	-180	-68.6	-45.6	0	0	0	112.9	H234 A238 T241 H283 G285 H289 W305	H234-D236 IonicContact NE2-OD1 2.82Å; D236-A238 HydrophobicContact CB-CB 4.05Å; D236-A238 PolarHBondContact O-N 3.32Å; D236-T241 WeakPolarHBondContact CB-OG1 3.27Å; D236-T241 VanDerWaalsContact CG-OG1 3.3Å; D236-T241 VanDerWaalsContact OD2-CB 3.25Å; D236-T241 WeakPolarHBondContact OD2-CB 3.48Å; D236-T241 VanDerWaalsContact OD2-CG2 3.28Å; D236-T241 WeakPolarHBondContact OD2-CG2 3.5Å; D236-T241 PolarHBondContact OD2-OG1 3.4Å; D236-H283 IonicContact OD2-CE1 2.75Å; D236-H283 PolarHBondContact OD2-CE1 3.26Å; D236-G285 PolarHBondContact N-O 3.46Å; D236-H289 IonicContact OD1-CE1 3.38Å; D236-H289 IonicContact OD2-CE1 3.5Å; D236-H289 PolarHBondContact OD2-CE1 2.76Å; D236-H289 VanDerWaalsContact OD2-CE1 3.24Å; D236-H289 IonicContact OD2-NE2 3.28Å; D236-W305 HydrophobicContact CB-CZ2 4.4Å; D236-W305 PolarHBondContact OD1-NE1 2.95Å
237	N	95.4	Very high	94.9	Very high	30 Å²	30	24.3 Å²	24.3	16%	0.16	13%	0.127	C	C	.	.	S	Bend	trans	-80.7	59	166.9	-174.6	18.7	0	0	0	110.5	W305 R307 R312 D333	N237-W305 HydrophobicContact CB-CE3 4.1Å; N237-W305 HydrophobicContact CB-CH2 4.41Å; N237-W305 HydrophobicContact CB-CZ3 3.87Å; N237-R307 PolarHBondContact ND2-NH2 3.36Å; N237-R307 VanDerWaalsContact ND2-NH2 3.16Å; N237-R307 PolarHBondContact O-NE 2.87Å; N237-R307 PolarHBondContact O-NH2 3.33Å; N237-R312 PolarHBondContact O-NH2 3.08Å; N237-R312 PolarHBondContact OD1-NH1 3.17Å; N237-R312 PolarHBondContact OD1-NH2 3.23Å; N237-D333 PolarHBondContact ND2-OD1 2.88Å
238	A	97.6	Very high	94.9	Very high	2 Å²	2	25.6 Å²	25.6	2%	0.017	13%	0.131	C	C	.	.	S	Bend	trans	-144.5	160.5	-177.1	0	0	0	0	0	111.2	D236 G285 W305	D236-A238 HydrophobicContact CB-CB 4.05Å; D236-A238 PolarHBondContact O-N 3.32Å; A238-G285 WeakPolarHBondContact O-CA 3.07Å; A238-W305 HydrophobicContact CB-CB 3.73Å; A238-W305 HydrophobicContact CB-CG 3.98Å
239	E	98.1	Very high	95	Very high	16 Å²	16	33.1 Å²	33.1	8%	0.075	17%	0.166	C	C	.	.	S	Bend	trans	-85.4	-43	165	-81.9	65.6	-118.8	0	0	109.7	C208 L213 G285 M306 R307 A308 E311 R312	C208-E239 WeakPolarHBondContact O-CB 3.39Å; C208-E239 VanDerWaalsContact O-CG 3.31Å; C208-E239 WeakPolarHBondContact O-CG 3.44Å; L213-E239 HydrophobicContact CD2-CB 4.09Å; E239-G285 PolarHBondContact O-N 3.02Å; E239-M306 PolarHBondContact N-O 3.3Å; E239-R307 WeakPolarHBondContact OE2-CA 3.02Å; E239-R307 WeakPolarHBondContact OE2-CB 3.33Å; E239-A308 HydrophobicContact CG-CB 4.14Å; E239-A308 PolarHBondContact OE2-N 3.11Å; E239-E311 HydrophobicContact CG-CB 4.37Å; E239-R312 IonicContact OE1-CZ 3.96Å; E239-R312 IonicContact OE1-NE 3.24Å; E239-R312 PolarHBondContact OE1-NE 3.26Å; E239-R312 IonicContact OE1-NH2 2.9Å; E239-R312 PolarHBondContact OE1-NH2 3.24Å; E239-R312 IonicContact OE2-CZ 3.25Å; E239-R312 IonicContact OE2-NE 3.66Å; E239-R312 PolarHBondContact OE2-NE 3.43Å; E239-R312 IonicContact OE2-NH2 3.78Å
240	V	98.6	Very high	95.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.3	173.9	-175.9	0	0	0	0	109	A201 Y205 L213 L282 H283 M306	A201-V240 HydrophobicContact CB-CG1 4.46Å; A201-V240 HydrophobicContact CB-CG2 4.34Å; Y205-V240 HydrophobicContact CD2-CG1 3.82Å; Y205-V240 HydrophobicContact CD2-CG2 3.84Å; Y205-V240 HydrophobicContact CE2-CG1 3.94Å; Y205-V240 HydrophobicContact CG-CG2 4.05Å; L213-V240 HydrophobicContact CD1-CB 4.28Å; L213-V240 HydrophobicContact CD1-CG2 4.29Å; L213-V240 HydrophobicContact CD2-CB 4.47Å; L213-V240 HydrophobicContact CD2-CG2 4.28Å; V240-L282 HydrophobicContact CG1-CD1 3.64Å; V240-L282 HydrophobicContact CG1-CG 3.97Å; V240-H283 WeakPolarHBondContact CA-O 3.26Å; V240-M306 HydrophobicContact CB-CE 4.05Å; V240-M306 HydrophobicContact CG1-CE 3.73Å; V240-M306 PolarHBondContact N-O 3.16Å; V240-M306 WeakPolarHBondContact O-CA 3.34Å; V240-M306 WeakPolarHBondContact O-CB 3.33Å; V240-M306 PolarHBondContact O-N 3.49Å
241	T	98.8	Very high	95	Very high	1 Å²	1	35 Å²	35	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.6	176.2	-63	0	0	0	0	109.9	D236 L282 H283 I303 V304	D236-T241 WeakPolarHBondContact CB-OG1 3.27Å; D236-T241 VanDerWaalsContact CG-OG1 3.3Å; D236-T241 VanDerWaalsContact OD2-CB 3.25Å; D236-T241 WeakPolarHBondContact OD2-CB 3.48Å; D236-T241 VanDerWaalsContact OD2-CG2 3.28Å; D236-T241 WeakPolarHBondContact OD2-CG2 3.5Å; D236-T241 PolarHBondContact OD2-OG1 3.4Å; T241-L282 WeakPolarHBondContact O-CA 3.48Å; T241-H283 PolarHBondContact N-O 3.38Å; T241-H283 PolarHBondContact O-N 2.7Å; T241-I303 HydrophobicContact CG2-CG2 4.06Å; T241-V304 WeakPolarHBondContact CA-O 3.17Å
242	L	98.9	Very high	95	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.9	160.8	179.5	70.9	0	0	0	109.2	L141 V143 L197 V244 L281 L282 I303 V304 M306	L141-L242 HydrophobicContact CD1-CD1 4.25Å; V143-L242 HydrophobicContact CG2-CD1 4.28Å; V143-L242 HydrophobicContact CG2-CD2 4.42Å; L197-L242 HydrophobicContact CD1-CB 4.38Å; L197-L242 HydrophobicContact CD1-CD2 3.66Å; L197-L242 HydrophobicContact CD2-CD2 3.77Å; L197-L242 HydrophobicContact CG-CD2 4.38Å; L242-V244 HydrophobicContact CD1-CG2 4.12Å; L242-V244 HydrophobicContact CD2-CG2 3.54Å; L242-V244 HydrophobicContact CG-CG2 3.59Å; L242-L281 WeakPolarHBondContact CA-O 3.28Å; L242-L282 HydrophobicContact CB-CD1 4.03Å; L242-L282 HydrophobicContact CD1-CB 4.26Å; L242-L282 HydrophobicContact CD1-CD1 4.16Å; L242-I303 CarbonylContact O-C 3.51Å; L242-I303 WeakPolarHBondContact O-CA 3.45Å; L242-V304 HydrophobicContact CB-CB 4.39Å; L242-V304 PolarHBondContact N-O 3.06Å; L242-V304 PolarHBondContact O-N 2.99Å; L242-M306 HydrophobicContact CB-CE 4.48Å
243	N	98.6	Very high	95	Very high	10 Å²	10	35.2 Å²	35.2	5%	0.053	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	108.6	171.7	-177.2	-17.6	0	0	0	109	L255 H275 G280 L281 N301 L302 I303	N243-L255 HydrophobicContact CB-CD1 4.48Å; N243-L255 WeakPolarHBondContact ND2-CD1 3.36Å; N243-H275 PolarHBondContact O-NE2 3.47Å; N243-H275 PolarHBondContact OD1-CE1 3.2Å; N243-H275 VanDerWaalsContact OD1-CE1 3.29Å; N243-H275 PolarHBondContact OD1-NE2 3.14Å; N243-G280 CarbonylContact O-C 3.55Å; N243-G280 WeakPolarHBondContact O-CA 3.12Å; N243-L281 PolarHBondContact N-O 3.34Å; N243-L281 PolarHBondContact O-N 2.58Å; N243-N301 WeakPolarHBondContact OD1-CB 3.36Å; N243-N301 PolarHBondContact OD1-ND2 3.41Å; N243-L302 CarbonylContact C-O 3.44Å; N243-L302 WeakPolarHBondContact CA-O 3.4Å; N243-I303 HydrophobicContact CB-CD1 3.67Å; N243-I303 VanDerWaalsContact ND2-CD1 3.32Å; N243-I303 WeakPolarHBondContact ND2-CD1 3.37Å; N243-I303 WeakPolarHBondContact OD1-CD1 3.41Å
244	V	98.6	Very high	95.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.7	-177	-167.9	0	0	0	0	110.1	V143 F144 L242 L246 E279 N301 L302	V143-V244 HydrophobicContact CB-CG1 4.12Å; V143-V244 HydrophobicContact CB-CG2 4.3Å; V143-V244 HydrophobicContact CG1-CG2 4.35Å; V143-V244 HydrophobicContact CG2-CG1 4.26Å; V143-V244 HydrophobicContact CG2-CG2 3.93Å; F144-V244 HydrophobicContact CD2-CG1 3.92Å; F144-V244 HydrophobicContact CE2-CG1 4.15Å; F144-V244 HydrophobicContact CE2-CG2 4.4Å; L242-V244 HydrophobicContact CD1-CG2 4.12Å; L242-V244 HydrophobicContact CD2-CG2 3.54Å; L242-V244 HydrophobicContact CG-CG2 3.59Å; V244-L246 HydrophobicContact CG1-CD2 4.49Å; V244-L246 PolarHBondContact O-N 2.7Å; V244-E279 WeakPolarHBondContact CA-O 3.31Å; V244-E279 WeakPolarHBondContact CG1-O 3.33Å; V244-N301 CarbonylContact O-C 3.5Å; V244-N301 WeakPolarHBondContact O-CA 3.19Å; V244-L302 HydrophobicContact CB-CB 4.26Å; V244-L302 PolarHBondContact N-O 2.97Å; V244-L302 PolarHBondContact O-N 3.23Å
245	S	97.7	Very high	95.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	110.3	168.4	-166.5	0	0	0	0	109.6	G247 H275 R276 S278 E279	S245-G247 VanDerWaalsContact C-N 3.29Å; S245-H275 VanDerWaalsContact CB-CE1 3.49Å; S245-H275 WeakPolarHBondContact CB-CE1 3.39Å; S245-H275 WeakPolarHBondContact CB-ND1 3.43Å; S245-H275 PolarHBondContact N-CE1 3.3Å; S245-R276 VanDerWaalsContact CB-O 3.23Å; S245-R276 WeakPolarHBondContact CB-O 3.4Å; S245-S278 WeakPolarHBondContact O-CA 3.48Å; S245-S278 PolarHBondContact O-N 3.17Å; S245-E279 PolarHBondContact N-O 3.23Å
246	L	97.2	Very high	95.5	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-18.9	176	-60.2	179.9	0	0	0	112	F144 C149 L152 V153 L156 V220 V244 W300 L302	F144-L246 HydrophobicContact CD2-CD2 4.28Å; F144-L246 HydrophobicContact CE2-CD2 4.35Å; C149-L246 VanDerWaalsContact CB-O 3.27Å; C149-L246 WeakPolarHBondContact CB-O 3.28Å; L152-L246 HydrophobicContact CD2-CD1 3.87Å; L152-L246 HydrophobicContact CD2-CD2 3.92Å; L152-L246 HydrophobicContact CG-CD1 4.32Å; V153-L246 HydrophobicContact CG2-CB 3.68Å; V153-L246 HydrophobicContact CG2-CD1 4.43Å; L156-L246 HydrophobicContact CD1-CD1 4.06Å; V220-L246 HydrophobicContact CG1-CD1 4.48Å; V220-L246 HydrophobicContact CG2-CD1 4.3Å; V244-L246 HydrophobicContact CG1-CD2 4.49Å; V244-L246 PolarHBondContact O-N 2.7Å; L246-W300 HydrophobicContact CB-CB 4.26Å; L246-W300 PolarHBondContact N-O 3.35Å; L246-L302 HydrophobicContact CD1-CB 4.03Å; L246-L302 HydrophobicContact CD2-CB 3.92Å; L246-L302 HydrophobicContact CG-CB 4Å
247	G	89.6	Confident	95.5	Very high	2 Å²	2	32.9 Å²	32.9	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	118.8	-136.7	172.4	0	0	0	0	0	113.7	S245 V277 W300	S245-G247 VanDerWaalsContact C-N 3.29Å; G247-V277 VanDerWaalsContact CA-CG1 3.49Å; G247-W300 PolarHBondContact O-N 3.13Å
248	K	90.5	Very high	95.5	Very high	84 Å²	84	32.1 Å²	32.1	37%	0.365	16%	0.155	S	C	.	.			trans	64.9	171.5	-146.7	-61.8	-73.9	172.2	161.2	0	112.1	V153 E157 Q298	V153-K248 HydrophobicContact CG1-CD 4.33Å; V153-K248 HydrophobicContact CG1-CG 4.19Å; E157-K248 VanDerWaalsContact CD-CE 3.48Å; E157-K248 WeakPolarHBondContact OE1-CE 3.45Å; E157-K248 IonicContact OE1-NZ 3.85Å; E157-K248 PolarHBondContact OE1-NZ 2.83Å; E157-K248 WeakPolarHBondContact OE2-CE 3.21Å; E157-K248 IonicContact OE2-NZ 3.7Å; E157-K248 PolarHBondContact OE2-NZ 2.79Å; K248-Q298 HydrophobicContact CB-CB 4.11Å; K248-Q298 WeakPolarHBondContact CB-O 3.45Å; K248-Q298 HydrophobicContact CG-CB 4.39Å
249	E	90.3	Very high	95.3	Very high	179 Å²	179	35.1 Å²	35.1	84%	0.836	17%	0.171	S	C	*	.			trans	-93	125.3	177.4	-64	-175.7	178.4	0	0	109.1	G297 Q298	E249-G297 CarbonylContact O-C 3.49Å; E249-G297 VanDerWaalsContact O-CA 3.23Å; E249-G297 WeakPolarHBondContact O-CA 3.4Å; E249-Q298 PolarHBondContact O-N 3.13Å
250	F	92.3	Very high	95.1	Very high	42 Å²	42	36.2 Å²	36.2	18%	0.184	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	166	175.1	62.5	-84.8	0	0	0	111.3	D252 V277 I294 C296 R299	F250-D252 WeakPolarHBondContact CD2-O 3.44Å; F250-D252 WeakPolarHBondContact CE2-O 3.46Å; F250-V277 HydrophobicContact CE1-CG2 4.15Å; F250-I294 HydrophobicContact CB-CG2 4.44Å; F250-I294 HydrophobicContact CD2-CG2 4.22Å; F250-C296 WeakPolarHBondContact CA-O 3.31Å; F250-C296 WeakPolarHBondContact CB-O 3.37Å; F250-R299 HydrophobicContact CB-CB 4.27Å; F250-R299 HydrophobicContact CD1-CB 3.68Å; F250-R299 HydrophobicContact CD1-CG 3.98Å; F250-R299 HydrophobicContact CD2-CB 4.28Å; F250-R299 HydrophobicContact CD2-CG 4.47Å; F250-R299 HydrophobicContact CE1-CB 4.05Å; F250-R299 HydrophobicContact CE1-CG 3.79Å; F250-R299 HydrophobicContact CE2-CG 4.31Å; F250-R299 HydrophobicContact CG-CB 3.82Å; F250-R299 HydrophobicContact CG-CG 4.33Å; F250-R299 HydrophobicContact CZ-CG 3.98Å
251	K	91.3	Very high	94.6	Very high	139 Å²	139	39.8 Å²	39.8	60%	0.604	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.4	148.6	171.2	-68	-175.1	179.3	-179.2	0	110	I294 S295 C296	K251-I294 WeakPolarHBondContact O-CA 3.29Å; K251-S295 WeakPolarHBondContact CB-OG 3.22Å; K251-S295 PolarHBondContact O-N 3.48Å; K251-C296 HydrophobicContact CB-CB 4.23Å; K251-C296 HydrophobicContact CD-CB 4.41Å; K251-C296 HydrophobicContact CG-CB 4.38Å; K251-C296 PolarHBondContact N-O 2.73Å
252	D	93.3	Very high	94.1	Very high	100 Å²	100	46.1 Å²	46.1	54%	0.535	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	57.5	-145.8	-172.4	-50.6	-46.8	0	0	0	111.2	F250 S295	F250-D252 WeakPolarHBondContact CD2-O 3.44Å; F250-D252 WeakPolarHBondContact CE2-O 3.46Å; D252-S295 WeakPolarHBondContact OD2-CB 3.37Å; D252-S295 PolarHBondContact OD2-OG 3.48Å
253	G	92.2	Very high	93.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.236	C	C	.	.			trans	77.5	22.4	179.1	0	0	0	0	0	114.8	L292 P293 R299	G253-L292 WeakPolarHBondContact CA-O 3.31Å; G253-P293 PolarHBondContact N-O 3.01Å; G253-R299 PolarHBondContact O-NH1 2.85Å; G253-R299 PolarHBondContact O-NH2 3Å
254	N	95.8	Very high	92.8	Very high	33 Å²	33	50.6 Å²	50.6	18%	0.176	25%	0.249	C	C	.	.			trans	-61	157.8	175.6	-70	-22.2	0	0	0	111.6	E272 E274 H275 L292	N254-E272 HydrophobicContact CB-CG 3.65Å; N254-E272 VanDerWaalsContact CB-OE1 3.28Å; N254-E272 WeakPolarHBondContact CB-OE1 3.24Å; N254-E272 PolarHBondContact ND2-OE1 3.33Å; N254-E274 WeakPolarHBondContact OD1-CA 3.42Å; N254-H275 PolarHBondContact OD1-N 3.48Å; N254-L292 HydrophobicContact CB-CD1 4.3Å; N254-L292 WeakPolarHBondContact O-CB 3.44Å; N254-L292 PolarHBondContact O-N 3.04Å
255	L	97.2	Very high	91.8	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.016	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	148.7	172.1	-63.6	176.4	0	0	0	108.2	N243 F257 V273 H275 L281 G290 A291	N243-L255 HydrophobicContact CB-CD1 4.48Å; N243-L255 WeakPolarHBondContact ND2-CD1 3.36Å; L255-F257 HydrophobicContact CB-CE2 3.72Å; L255-F257 HydrophobicContact CB-CZ 4.21Å; L255-F257 HydrophobicContact CD1-CZ 4.43Å; L255-V273 PolarHBondContact N-O 2.98Å; L255-V273 PolarHBondContact O-N 2.91Å; L255-H275 HydrophobicContact CG-CB 4.41Å; L255-L281 HydrophobicContact CB-CD1 4.2Å; L255-L281 HydrophobicContact CD1-CD1 3.7Å; L255-L281 HydrophobicContact CD1-CG 4.45Å; L255-L281 HydrophobicContact CG-CD1 4.47Å; L255-G290 WeakPolarHBondContact CA-O 3.37Å; L255-A291 HydrophobicContact CD2-CB 3.75Å
256	F	97	Very high	91	Very high	39 Å²	39	61.6 Å²	61.6	17%	0.171	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139.3	172.7	65.5	-84.6	0	0	0	109.8	Y233 C270 T271 H289 G290 L292	Y233-F256 HydrophobicContact CD2-CD2 4.2Å; Y233-F256 AromaticContact CD2-CE2 3.41Å; Y233-F256 HydrophobicContact CD2-CE2 3.41Å; Y233-F256 VanDerWaalsContact CD2-CE2 3.41Å; Y233-F256 HydrophobicContact CD2-CZ 4.12Å; Y233-F256 HydrophobicContact CE2-CD2 4.35Å; Y233-F256 AromaticContact CE2-CE2 3.96Å; Y233-F256 HydrophobicContact CE2-CE2 3.96Å; Y233-F256 HydrophobicContact CG-CE2 4.24Å; F256-C270 HydrophobicContact CD2-CB 4.06Å; F256-T271 CarbonylContact C-O 3.32Å; F256-T271 VanDerWaalsContact CA-O 3.32Å; F256-T271 WeakPolarHBondContact CA-O 3.47Å; F256-H289 CarbonylContact O-C 3.47Å; F256-H289 WeakPolarHBondContact O-CA 3.46Å; F256-H289 WeakPolarHBondContact O-CB 3.17Å; F256-G290 WeakPolarHBondContact CD1-O 3.31Å; F256-G290 VanDerWaalsContact CE1-CA 3.47Å; F256-G290 PolarHBondContact N-O 2.87Å; F256-G290 PolarHBondContact O-N 2.89Å; F256-L292 HydrophobicContact CD1-CD2 3.93Å; F256-L292 HydrophobicContact CD1-CG 3.94Å; F256-L292 HydrophobicContact CE1-CD2 4.17Å
257	F	97.3	Very high	90.3	Very high	6 Å²	6	68.2 Å²	68.2	3%	0.026	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.8	-175.4	-65.9	-91.8	0	0	0	109.3	A135 V138 L255 C270 T271 V273 L281 H283 H289	A135-F257 HydrophobicContact CB-CB 4.22Å; A135-F257 HydrophobicContact CB-CD2 4.48Å; V138-F257 HydrophobicContact CG1-CD2 4.38Å; V138-F257 HydrophobicContact CG1-CE1 4.36Å; V138-F257 HydrophobicContact CG1-CE2 4.07Å; V138-F257 HydrophobicContact CG1-CZ 4.05Å; V138-F257 HydrophobicContact CG2-CB 4.36Å; V138-F257 HydrophobicContact CG2-CD1 3.82Å; V138-F257 HydrophobicContact CG2-CD2 4.36Å; V138-F257 HydrophobicContact CG2-CE1 4.21Å; V138-F257 HydrophobicContact CG2-CG 3.91Å; L255-F257 HydrophobicContact CB-CE2 3.72Å; L255-F257 HydrophobicContact CB-CZ 4.21Å; L255-F257 HydrophobicContact CD1-CZ 4.43Å; F257-C270 CarbonylContact O-C 3.58Å; F257-C270 VanDerWaalsContact O-CA 3.3Å; F257-C270 WeakPolarHBondContact O-CA 3.43Å; F257-T271 PolarHBondContact N-O 3.45Å; F257-T271 PolarHBondContact O-N 3.5Å; F257-V273 HydrophobicContact CD2-CB 4.21Å; F257-V273 HydrophobicContact CD2-CG2 3.75Å; F257-V273 HydrophobicContact CE2-CB 4.12Å; F257-V273 HydrophobicContact CE2-CG2 4.11Å; F257-L281 HydrophobicContact CE2-CD1 3.55Å; F257-L281 HydrophobicContact CZ-CB 4.41Å; F257-L281 HydrophobicContact CZ-CD1 3.81Å; F257-H283 HydrophobicContact CE1-CB 4.09Å; F257-H283 AromaticContact CE1-CD2 3.63Å; F257-H283 AromaticContact CE1-CG 3.65Å; F257-H283 AromaticContact CE1-ND1 3.98Å; F257-H283 AromaticContact CE1-NE2 3.93Å; F257-H289 HydrophobicContact CD1-CB 3.52Å; F257-H289 HydrophobicContact CE1-CB 3.73Å; F257-H289 HydrophobicContact CG-CB 4.15Å
258	G	94.9	Very high	90.1	Very high	14 Å²	14	69.2 Å²	69.2	14%	0.144	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	-152.4	168.2	0	0	0	0	0	111	Y233 T268 M288	Y233-G258 WeakPolarHBondContact OH-CA 3.33Å; G258-T268 VanDerWaalsContact CA-CG2 3.47Å; G258-M288 PolarHBondContact N-O 3.42Å
259	D	94.3	Very high	89.9	Confident	66 Å²	66	73.6 Å²	73.6	35%	0.353	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	178.1	-178.7	-68.1	-62	0	0	0	113.3	V263 T268 M288	D259-V263 HydrophobicContact CB-CB 3.6Å; D259-V263 HydrophobicContact CB-CG1 3.91Å; D259-V263 HydrophobicContact CB-CG2 3.76Å; D259-T268 HydrophobicContact CB-CG2 4.3Å; D259-T268 WeakPolarHBondContact OD2-CA 3.45Å; D259-T268 WeakPolarHBondContact OD2-CB 3.39Å; D259-T268 PolarHBondContact OD2-OG1 2.97Å; D259-M288 WeakPolarHBondContact O-CB 3.5Å; D259-M288 PolarHBondContact O-N 2.52Å
260	M	93	Very high	90.1	Very high	38 Å²	38	68.3 Å²	68.3	19%	0.187	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	150.4	169	-60.6	-73.5	170.7	0	0	111.1	Q262 V263 R284 Q286 H287	M260-Q262 PolarHBondContact O-N 3.1Å; M260-V263 PolarHBondContact O-N 3.34Å; M260-R284 HydrophobicContact CE-CB 4.46Å; M260-Q286 WeakPolarHBondContact CA-O 3.38Å; M260-Q286 HydrophobicContact SD-CB 4.11Å; M260-H287 WeakPolarHBondContact CE-CD2 3.37Å; M260-H287 WeakPolarHBondContact CE-NE2 3.44Å; M260-H287 PolarHBondContact SD-CD2 3.48Å
261	R	88.8	Confident	90.3	Very high	76 Å²	76	68.5 Å²	68.5	29%	0.287	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-25.7	178.9	-174	-168.3	171.7	-165.8	1.3	115.7	Y235 V263 Q286 M288 P317	Y235-R261 VanDerWaalsContact CD1-CD 3.43Å; Y235-R261 HydrophobicContact CD1-CG 3.84Å; Y235-R261 VanDerWaalsContact CE1-CD 3.47Å; Y235-R261 HydrophobicContact CE1-CG 4.22Å; Y235-R261 VanDerWaalsContact CE1-CZ 3.47Å; Y235-R261 HydrophobicContact CG-CG 4.24Å; Y235-R261 VanDerWaalsContact CZ-NH1 3.34Å; Y235-R261 PolarHBondContact OH-NH1 2.96Å; Y235-R261 PolarHBondContact OH-NH2 3.29Å; R261-V263 VanDerWaalsContact C-N 3.3Å; R261-Q286 PolarHBondContact N-O 3.21Å; R261-M288 HydrophobicContact CB-CG 4.17Å; R261-M288 HydrophobicContact CB-SD 3.93Å; R261-M288 HydrophobicContact CG-SD 3.96Å; R261-P317 PolarHBondContact NH1-O 2.94Å
262	Q	87.6	Confident	90.6	Very high	134 Å²	134	67.2 Å²	67.2	63%	0.626	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.8	179.9	-60.2	81.4	1.2	0	0	113.5	M260	M260-Q262 PolarHBondContact O-N 3.1Å
263	V	87.4	Confident	90.7	Very high	58 Å²	58	62.6 Å²	62.6	35%	0.352	33%	0.331	S	S	.	.	S	Bend	trans	-86.6	142	178.3	-177.7	0	0	0	0	109.7	D259 M260 R261 E267	D259-V263 HydrophobicContact CB-CB 3.6Å; D259-V263 HydrophobicContact CB-CG1 3.91Å; D259-V263 HydrophobicContact CB-CG2 3.76Å; M260-V263 PolarHBondContact O-N 3.34Å; R261-V263 VanDerWaalsContact C-N 3.3Å; V263-E267 HydrophobicContact CG1-CB 4.22Å
264	S	82.1	Confident	90.9	Very high	45 Å²	45	67.3 Å²	67.3	32%	0.315	35%	0.353	S	S	.	.			trans	-74.4	143	-178.9	78.2	0	0	0	0	111.3	S266 E267 T268	S264-S266 PolarHBondContact O-N 3.11Å; S264-S266 VanDerWaalsContact O-N 3.11Å; S264-S266 PolarHBondContact OG-OG 3.23Å; S264-S266 VanDerWaalsContact OG-OG 3.1Å; S264-E267 WeakPolarHBondContact CB-OE2 3.27Å; S264-E267 PolarHBondContact O-N 3.28Å; S264-E267 VanDerWaalsContact OG-CG 3.22Å; S264-E267 WeakPolarHBondContact OG-CG 3.49Å; S264-E267 PolarHBondContact OG-OE2 3.46Å; S264-T268 PolarHBondContact O-N 2.99Å; S264-T268 PolarHBondContact O-OG1 3.43Å
265	I	79	Confident	90.8	Very high	123 Å²	123	66 Å²	66	63%	0.631	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-26.7	-178.9	-161.8	167.6	0	0	0	113.3	Y233 E267	Y233-I265 HydrophobicContact CD1-CD1 3.63Å; Y233-I265 HydrophobicContact CD1-CG1 4.23Å; Y233-I265 HydrophobicContact CE1-CD1 3.92Å; Y233-I265 HydrophobicContact CE1-CG1 3.99Å; I265-E267 PolarHBondContact O-N 2.94Å
266	S	80.6	Confident	90.6	Very high	109 Å²	109	69.5 Å²	69.5	76%	0.762	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-16.8	176.7	45.7	0	0	0	0	114	S264	S264-S266 PolarHBondContact O-N 3.11Å; S264-S266 VanDerWaalsContact O-N 3.11Å; S264-S266 PolarHBondContact OG-OG 3.23Å; S264-S266 VanDerWaalsContact OG-OG 3.1Å
267	E	81.7	Confident	90.5	Very high	143 Å²	143	70.3 Å²	70.3	67%	0.668	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-6.5	-178.7	-66.8	165.9	155.1	0	0	112.1	V263 S264 I265	V263-E267 HydrophobicContact CG1-CB 4.22Å; S264-E267 WeakPolarHBondContact CB-OE2 3.27Å; S264-E267 PolarHBondContact O-N 3.28Å; S264-E267 VanDerWaalsContact OG-CG 3.22Å; S264-E267 WeakPolarHBondContact OG-CG 3.49Å; S264-E267 PolarHBondContact OG-OE2 3.46Å; I265-E267 PolarHBondContact O-N 2.94Å
268	T	84.9	Confident	90.4	Very high	23 Å²	23	71.3 Å²	71.3	14%	0.141	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-93	133.3	-173.5	-71.6	0	0	0	0	112.5	Y233 G258 D259 S264	Y233-T268 WeakPolarHBondContact OH-CG2 3.43Å; G258-T268 VanDerWaalsContact CA-CG2 3.47Å; D259-T268 HydrophobicContact CB-CG2 4.3Å; D259-T268 WeakPolarHBondContact OD2-CA 3.45Å; D259-T268 WeakPolarHBondContact OD2-CB 3.39Å; D259-T268 PolarHBondContact OD2-OG1 2.97Å; S264-T268 PolarHBondContact O-N 2.99Å; S264-T268 PolarHBondContact O-OG1 3.43Å
269	E	87.9	Confident	90.6	Very high	175 Å²	175	72.7 Å²	72.7	82%	0.818	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-98.6	128.6	164.3	-67.1	-171.5	168.8	0	0	109.4
270	C	93.6	Very high	90.7	Very high	68 Å²	68	69.6 Å²	69.6	46%	0.459	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-92.9	132.1	178.8	-70.7	0	0	0	0	110.5	F256 F257	F256-C270 HydrophobicContact CD2-CB 4.06Å; F257-C270 CarbonylContact O-C 3.58Å; F257-C270 VanDerWaalsContact O-CA 3.3Å; F257-C270 WeakPolarHBondContact O-CA 3.43Å
271	T	96.3	Very high	91	Very high	46 Å²	46	67.9 Å²	67.9	28%	0.282	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	122.8	170.3	-56.8	0	0	0	0	109.6	A135 F256 F257 V273	A135-T271 HydrophobicContact CB-CG2 3.94Å; F256-T271 CarbonylContact C-O 3.32Å; F256-T271 VanDerWaalsContact CA-O 3.32Å; F256-T271 WeakPolarHBondContact CA-O 3.47Å; F257-T271 PolarHBondContact N-O 3.45Å; F257-T271 PolarHBondContact O-N 3.5Å; T271-V273 HydrophobicContact CG2-CG2 4.44Å
272	E	97	Very high	91.5	Very high	113 Å²	113	64.3 Å²	64.3	53%	0.528	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	133	173.1	-170.8	178.1	156	0	0	110.3	N254 L292	N254-E272 HydrophobicContact CB-CG 3.65Å; N254-E272 VanDerWaalsContact CB-OE1 3.28Å; N254-E272 WeakPolarHBondContact CB-OE1 3.24Å; N254-E272 PolarHBondContact ND2-OE1 3.33Å; E272-L292 VanDerWaalsContact CD-CD1 3.49Å; E272-L292 HydrophobicContact CG-CD1 3.99Å
273	V	97.3	Very high	92	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.1	-178.5	-176.9	0	0	0	0	108.8	V133 A135 R140 L255 F257 T271 H275 L281	V133-V273 HydrophobicContact CB-CG1 3.93Å; V133-V273 HydrophobicContact CG1-CG1 4.49Å; V133-V273 HydrophobicContact CG2-CG1 4.21Å; V133-V273 HydrophobicContact CG2-CG2 4.28Å; A135-V273 HydrophobicContact CB-CG2 3.65Å; R140-V273 VanDerWaalsContact NH2-CG1 3.25Å; L255-V273 PolarHBondContact N-O 2.98Å; L255-V273 PolarHBondContact O-N 2.91Å; F257-V273 HydrophobicContact CD2-CB 4.21Å; F257-V273 HydrophobicContact CD2-CG2 3.75Å; F257-V273 HydrophobicContact CE2-CB 4.12Å; F257-V273 HydrophobicContact CE2-CG2 4.11Å; T271-V273 HydrophobicContact CG2-CG2 4.44Å; V273-H275 PolarHBondContact O-N 2.82Å; V273-L281 HydrophobicContact CB-CD1 4.03Å; V273-L281 HydrophobicContact CG1-CD1 3.56Å; V273-L281 HydrophobicContact CG1-CD2 3.86Å; V273-L281 HydrophobicContact CG1-CG 4.4Å
274	E	95.5	Very high	92.4	Very high	98 Å²	98	56.8 Å²	56.8	46%	0.458	30%	0.299	S	S	.	.			trans	-57.8	131.5	177.2	-172.3	-173.2	-163.7	0	0	111.4	R140 N254 R276	R140-E274 PolarHBondContact NH2-O 3.23Å; N254-E274 WeakPolarHBondContact OD1-CA 3.42Å; E274-R276 HydrophobicContact CG-CG 3.96Å; E274-R276 IonicContact OE2-CZ 3.44Å; E274-R276 IonicContact OE2-NE 2.83Å; E274-R276 PolarHBondContact OE2-NE 3.09Å; E274-R276 IonicContact OE2-NH2 2.69Å; E274-R276 PolarHBondContact OE2-NH2 3.36Å
275	H	92.8	Very high	93.1	Very high	7 Å²	7	54.7 Å²	54.7	3%	0.032	28%	0.284	C	S	.	.			trans	-102.2	100.9	177.4	-156.1	-128	0	0	0	111.1	N243 S245 N254 L255 V273 R299 N301	N243-H275 PolarHBondContact O-NE2 3.47Å; N243-H275 PolarHBondContact OD1-CE1 3.2Å; N243-H275 VanDerWaalsContact OD1-CE1 3.29Å; N243-H275 PolarHBondContact OD1-NE2 3.14Å; S245-H275 VanDerWaalsContact CB-CE1 3.49Å; S245-H275 WeakPolarHBondContact CB-CE1 3.39Å; S245-H275 WeakPolarHBondContact CB-ND1 3.43Å; S245-H275 PolarHBondContact N-CE1 3.3Å; N254-H275 PolarHBondContact OD1-N 3.48Å; L255-H275 HydrophobicContact CG-CB 4.41Å; V273-H275 PolarHBondContact O-N 2.82Å; H275-R299 PolarHBondContact CE1-NH2 3.04Å; H275-R299 VanDerWaalsContact CG-NH2 3.26Å; H275-R299 PolarHBondContact ND1-NE 2.83Å; H275-R299 PolarHBondContact ND1-NH2 3.05Å; H275-N301 PolarHBondContact CE1-OD1 3.03Å
276	R	94.6	Very high	93.8	Very high	75 Å²	75	51.6 Å²	51.6	28%	0.283	27%	0.267	S	S	.	.			trans	-94.6	139.1	-173.3	-57.4	-174.7	-168.2	140.8	4	111.5	E131 S245 E274 E279	E131-R276 IonicContact OE1-CZ 3.85Å; E131-R276 IonicContact OE1-NH1 2.73Å; E131-R276 PolarHBondContact OE1-NH1 3.4Å; E131-R276 IonicContact OE1-NH2 3.33Å; E131-R276 PolarHBondContact OE1-NH2 3.22Å; E131-R276 IonicContact OE2-CZ 3.95Å; E131-R276 IonicContact OE2-NH1 2.94Å; E131-R276 PolarHBondContact OE2-NH1 3.23Å; E131-R276 IonicContact OE2-NH2 2.61Å; S245-R276 VanDerWaalsContact CB-O 3.23Å; S245-R276 WeakPolarHBondContact CB-O 3.4Å; E274-R276 HydrophobicContact CG-CG 3.96Å; E274-R276 IonicContact OE2-CZ 3.44Å; E274-R276 IonicContact OE2-NE 2.83Å; E274-R276 PolarHBondContact OE2-NE 3.09Å; E274-R276 IonicContact OE2-NH2 2.69Å; E274-R276 PolarHBondContact OE2-NH2 3.36Å; R276-E279 HydrophobicContact CB-CB 4.34Å; R276-E279 HydrophobicContact CB-CG 4.3Å; R276-E279 WeakPolarHBondContact CB-OE2 3.34Å; R276-E279 WeakPolarHBondContact CD-OE2 3.25Å; R276-E279 IonicContact NH1-OE2 2.77Å; R276-E279 PolarHBondContact O-N 3.09Å
277	V	94.6	Very high	94.5	Very high	56 Å²	56	47 Å²	47	34%	0.339	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-56	140.8	176.7	179.1	0	0	0	0	110.8	G247 F250 E279	G247-V277 VanDerWaalsContact CA-CG1 3.49Å; F250-V277 HydrophobicContact CE1-CG2 4.15Å; V277-E279 PolarHBondContact O-N 2.84Å
278	S	95.4	Very high	95.2	Very high	27 Å²	27	41.5 Å²	41.5	19%	0.189	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	-7.7	-175.6	72.7	0	0	0	0	116.4	V143 F144 S245	V143-S278 PolarHBondContact N-O 3.25Å; F144-S278 PolarHBondContact N-O 3.49Å; F144-S278 WeakPolarHBondContact O-CB 3.38Å; S245-S278 WeakPolarHBondContact O-CA 3.48Å; S245-S278 PolarHBondContact O-N 3.17Å
279	E	97.5	Very high	95.8	Very high	44 Å²	44	40.7 Å²	40.7	21%	0.206	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	157	177	-55.1	-175	163	0	0	110.6	R140 L141 V244 S245 R276 V277	R140-E279 WeakPolarHBondContact CD-OE2 3.44Å; R140-E279 HydrophobicContact CG-CB 4.33Å; R140-E279 WeakPolarHBondContact CG-OE2 3.46Å; R140-E279 IonicContact NE-OE2 3.78Å; L141-E279 CarbonylContact O-C 3.57Å; L141-E279 VanDerWaalsContact O-CA 3.25Å; L141-E279 WeakPolarHBondContact O-CA 3.49Å; V244-E279 WeakPolarHBondContact CA-O 3.31Å; V244-E279 WeakPolarHBondContact CG1-O 3.33Å; S245-E279 PolarHBondContact N-O 3.23Å; R276-E279 HydrophobicContact CB-CB 4.34Å; R276-E279 HydrophobicContact CB-CG 4.3Å; R276-E279 WeakPolarHBondContact CB-OE2 3.34Å; R276-E279 WeakPolarHBondContact CD-OE2 3.25Å; R276-E279 IonicContact NH1-OE2 2.77Å; R276-E279 PolarHBondContact O-N 3.09Å; V277-E279 PolarHBondContact O-N 2.84Å
280	G	97.8	Very high	96.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.5	174.8	0	0	0	0	0	113.4	R140 L141 N243	R140-G280 CarbonylContact C-O 3.58Å; R140-G280 WeakPolarHBondContact CA-O 3.39Å; L141-G280 PolarHBondContact N-O 3.44Å; L141-G280 PolarHBondContact O-N 3.47Å; N243-G280 CarbonylContact O-C 3.55Å; N243-G280 WeakPolarHBondContact O-CA 3.12Å
281	L	98.6	Very high	96.3	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.3	171.1	-58.6	-175.1	0	0	0	109	V138 Y139 R140 L242 N243 L255 F257 V273	V138-L281 HydrophobicContact CG1-CB 4.24Å; V138-L281 HydrophobicContact CG1-CD1 4.43Å; Y139-L281 WeakPolarHBondContact O-CA 3.42Å; R140-L281 HydrophobicContact CB-CD2 3.92Å; R140-L281 HydrophobicContact CG-CD2 4.35Å; L242-L281 WeakPolarHBondContact CA-O 3.28Å; N243-L281 PolarHBondContact N-O 3.34Å; N243-L281 PolarHBondContact O-N 2.58Å; L255-L281 HydrophobicContact CB-CD1 4.2Å; L255-L281 HydrophobicContact CD1-CD1 3.7Å; L255-L281 HydrophobicContact CD1-CG 4.45Å; L255-L281 HydrophobicContact CG-CD1 4.47Å; F257-L281 HydrophobicContact CE2-CD1 3.55Å; F257-L281 HydrophobicContact CZ-CB 4.41Å; F257-L281 HydrophobicContact CZ-CD1 3.81Å; V273-L281 HydrophobicContact CB-CD1 4.03Å; V273-L281 HydrophobicContact CG1-CD1 3.56Å; V273-L281 HydrophobicContact CG1-CD2 3.86Å; V273-L281 HydrophobicContact CG1-CG 4.4Å
282	L	98.7	Very high	96.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	119.6	173.5	-171.3	79	0	0	0	108.7	Y139 L141 L200 L204 Y205 V240 T241 L242 M306	Y139-L282 PolarHBondContact N-O 3.43Å; Y139-L282 PolarHBondContact O-N 3.33Å; L141-L282 HydrophobicContact CD1-CB 3.82Å; L141-L282 HydrophobicContact CD1-CD2 4.09Å; L141-L282 HydrophobicContact CD1-CG 4.38Å; L141-L282 HydrophobicContact CG-CB 4.33Å; L200-L282 HydrophobicContact CB-CD2 4.42Å; L204-L282 HydrophobicContact CD1-CD2 4.06Å; Y205-L282 HydrophobicContact CD2-CD2 4.46Å; Y205-L282 HydrophobicContact CE2-CD2 3.77Å; Y205-L282 HydrophobicContact CE2-CG 3.9Å; Y205-L282 PolarHBondContact OH-O 3.4Å; V240-L282 HydrophobicContact CG1-CD1 3.64Å; V240-L282 HydrophobicContact CG1-CG 3.97Å; T241-L282 WeakPolarHBondContact O-CA 3.48Å; L242-L282 HydrophobicContact CB-CD1 4.03Å; L242-L282 HydrophobicContact CD1-CB 4.26Å; L242-L282 HydrophobicContact CD1-CD1 4.16Å; L282-M306 HydrophobicContact CD1-CE 3.79Å
283	H	98.4	Very high	96.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	166.7	-177.1	62.9	93.5	0	0	0	112	V138 Y205 D236 V240 T241 F257 H289	V138-H283 HydrophobicContact CG1-CB 4.41Å; V138-H283 HydrophobicContact CG2-CB 4.06Å; Y205-H283 VanDerWaalsContact OH-CA 3.25Å; Y205-H283 WeakPolarHBondContact OH-CA 3.3Å; D236-H283 IonicContact OD2-CE1 2.75Å; D236-H283 PolarHBondContact OD2-CE1 3.26Å; V240-H283 WeakPolarHBondContact CA-O 3.26Å; T241-H283 PolarHBondContact N-O 3.38Å; T241-H283 PolarHBondContact O-N 2.7Å; F257-H283 HydrophobicContact CE1-CB 4.09Å; F257-H283 AromaticContact CE1-CD2 3.63Å; F257-H283 AromaticContact CE1-CG 3.65Å; F257-H283 AromaticContact CE1-ND1 3.98Å; F257-H283 AromaticContact CE1-NE2 3.93Å; H283-H289 AromaticContact CE1-CE1 3.5Å; H283-H289 AromaticContact CE1-ND1 3.75Å; H283-H289 AromaticContact CE1-NE2 3.77Å
284	R	97.1	Very high	96.2	Very high	35 Å²	35	27.8 Å²	27.8	13%	0.132	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	138.7	170.1	-70.4	-175.1	51.4	-178.5	2.9	110	R137 Y205 D207 M260 Q286 H287	R137-R284 VanDerWaalsContact NH1-NH1 3.16Å; Y205-R284 HydrophobicContact CD1-CG 3.34Å; Y205-R284 HydrophobicContact CE1-CG 3.5Å; Y205-R284 VanDerWaalsContact CE1-CG 3.5Å; Y205-R284 HydrophobicContact CG-CG 4.24Å; D207-R284 IonicContact OD2-CZ 3.99Å; D207-R284 IonicContact OD2-NH1 2.81Å; D207-R284 PolarHBondContact OD2-NH1 2.84Å; M260-R284 HydrophobicContact CE-CB 4.46Å; R284-Q286 PolarHBondContact O-N 2.64Å; R284-H287 WeakPolarHBondContact O-CB 3.45Å; R284-H287 PolarHBondContact O-N 3.21Å
285	G	96.4	Very high	96.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.8	178.9	0	0	0	0	0	113.2	D236 A238 E239 H287	D236-G285 PolarHBondContact N-O 3.46Å; A238-G285 WeakPolarHBondContact O-CA 3.07Å; E239-G285 PolarHBondContact O-N 3.02Å; G285-H287 VanDerWaalsContact C-N 3.34Å
286	Q	94.1	Very high	96.2	Very high	58 Å²	58	29 Å²	29	27%	0.271	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-7.1	175.9	-64	-172.9	5.7	0	0	114.6	M260 R261 R284 M288	M260-Q286 WeakPolarHBondContact CA-O 3.38Å; M260-Q286 HydrophobicContact SD-CB 4.11Å; R261-Q286 PolarHBondContact N-O 3.21Å; R284-Q286 PolarHBondContact O-N 2.64Å; Q286-M288 PolarHBondContact O-N 2.94Å
287	H	94.6	Very high	96.2	Very high	12 Å²	12	26.7 Å²	26.7	6%	0.056	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	123.4	169.6	-77.9	173.9	0	0	0	108.7	P136 R137 M260 R284 G285 H289	P136-H287 PolarHBondContact O-CE1 2.88Å; P136-H287 VanDerWaalsContact O-CE1 3.25Å; R137-H287 PolarHBondContact O-CE1 3.36Å; M260-H287 WeakPolarHBondContact CE-CD2 3.37Å; M260-H287 WeakPolarHBondContact CE-NE2 3.44Å; M260-H287 PolarHBondContact SD-CD2 3.48Å; R284-H287 WeakPolarHBondContact O-CB 3.45Å; R284-H287 PolarHBondContact O-N 3.21Å; G285-H287 VanDerWaalsContact C-N 3.34Å; H287-H289 PolarHBondContact O-N 2.82Å; H287-H289 PolarHBondContact O-ND1 3.46Å
288	M	95.8	Very high	96.2	Very high	28 Å²	28	27.2 Å²	27.2	14%	0.138	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	127.5	173.5	-66.6	-69.2	-58.2	0	0	108.7	Y233 H234 Y235 G258 D259 R261 Q286	Y233-M288 HydrophobicContact CD1-CB 4.35Å; Y233-M288 HydrophobicContact CD1-CE 3.53Å; Y233-M288 HydrophobicContact CD2-CB 4.33Å; Y233-M288 HydrophobicContact CE1-CB 3.59Å; Y233-M288 HydrophobicContact CE1-CE 3.67Å; Y233-M288 HydrophobicContact CE1-CG 4.19Å; Y233-M288 HydrophobicContact CE2-CB 3.58Å; Y233-M288 WeakPolarHBondContact CE2-O 3.05Å; Y233-M288 HydrophobicContact CG-CE 4.12Å; Y233-M288 WeakPolarHBondContact OH-CB 3.24Å; H234-M288 CarbonylContact O-C 3.39Å; H234-M288 VanDerWaalsContact O-CA 3.24Å; H234-M288 WeakPolarHBondContact O-CA 3.33Å; Y235-M288 HydrophobicContact CD1-SD 3.9Å; Y235-M288 HydrophobicContact CG-SD 4.27Å; G258-M288 PolarHBondContact N-O 3.42Å; D259-M288 WeakPolarHBondContact O-CB 3.5Å; D259-M288 PolarHBondContact O-N 2.52Å; R261-M288 HydrophobicContact CB-CG 4.17Å; R261-M288 HydrophobicContact CB-SD 3.93Å; R261-M288 HydrophobicContact CG-SD 3.96Å; Q286-M288 PolarHBondContact O-N 2.94Å
289	H	97	Very high	96.2	Very high	7 Å²	7	25.9 Å²	25.9	3%	0.032	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	169.6	-174.4	67.4	-74.8	0	0	0	111.4	Y233 H234 D236 F256 F257 H283 H287	Y233-H289 CarbonylContact C-O 3.56Å; Y233-H289 WeakPolarHBondContact CA-O 3.38Å; H234-H289 AromaticContact CE1-NE2 3.73Å; H234-H289 PolarHBondContact N-O 2.72Å; H234-H289 PolarHBondContact ND1-O 3.45Å; H234-H289 VanDerWaalsContact ND1-O 3.13Å; H234-H289 AromaticContact NE2-CE1 3.8Å; H234-H289 AromaticContact NE2-NE2 3.55Å; H234-H289 PolarHBondContact O-N 3.04Å; D236-H289 IonicContact OD1-CE1 3.38Å; D236-H289 IonicContact OD2-CE1 3.5Å; D236-H289 PolarHBondContact OD2-CE1 2.76Å; D236-H289 VanDerWaalsContact OD2-CE1 3.24Å; D236-H289 IonicContact OD2-NE2 3.28Å; F256-H289 CarbonylContact O-C 3.47Å; F256-H289 WeakPolarHBondContact O-CA 3.46Å; F256-H289 WeakPolarHBondContact O-CB 3.17Å; F257-H289 HydrophobicContact CD1-CB 3.52Å; F257-H289 HydrophobicContact CE1-CB 3.73Å; F257-H289 HydrophobicContact CG-CB 4.15Å; H283-H289 AromaticContact CE1-CE1 3.5Å; H283-H289 AromaticContact CE1-ND1 3.75Å; H283-H289 AromaticContact CE1-NE2 3.77Å; H287-H289 PolarHBondContact O-N 2.82Å; H287-H289 PolarHBondContact O-ND1 3.46Å
290	G	96.4	Very high	96.2	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	178.4	174.2	0	0	0	0	0	111.6	L231 L255 F256	L231-G290 WeakPolarHBondContact O-CA 3.42Å; L255-G290 WeakPolarHBondContact CA-O 3.37Å; F256-G290 WeakPolarHBondContact CD1-O 3.31Å; F256-G290 VanDerWaalsContact CE1-CA 3.47Å; F256-G290 PolarHBondContact N-O 2.87Å; F256-G290 PolarHBondContact O-N 2.89Å
291	A	96.8	Very high	96.2	Very high	4 Å²	4	23.9 Å²	23.9	3%	0.033	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.5	172.5	0	0	0	0	0	108.9	D230 L231 L255	D230-A291 WeakPolarHBondContact CB-O 3.37Å; L231-A291 HydrophobicContact CB-CB 3.93Å; L231-A291 PolarHBondContact N-O 3.35Å; L231-A291 VanDerWaalsContact N-O 3.1Å; L231-A291 PolarHBondContact O-N 3.03Å; L255-A291 HydrophobicContact CD2-CB 3.75Å
292	L	96.3	Very high	96.2	Very high	55 Å²	55	23.8 Å²	23.8	29%	0.288	14%	0.139	S	C	.	.	P	Polyproline II helix	trans	-67.6	157.4	168.9	-67.7	176.6	0	0	0	110.2	G253 N254 F256 E272	G253-L292 WeakPolarHBondContact CA-O 3.31Å; N254-L292 HydrophobicContact CB-CD1 4.3Å; N254-L292 WeakPolarHBondContact O-CB 3.44Å; N254-L292 PolarHBondContact O-N 3.04Å; F256-L292 HydrophobicContact CD1-CD2 3.93Å; F256-L292 HydrophobicContact CD1-CG 3.94Å; F256-L292 HydrophobicContact CE1-CD2 4.17Å; E272-L292 VanDerWaalsContact CD-CD1 3.49Å; E272-L292 HydrophobicContact CG-CD1 3.99Å
293	P	95.6	Very high	96.2	Very high	66 Å²	66	24.3 Å²	24.3	43%	0.429	14%	0.142	S	C	.	.	P	Polyproline II helix	trans	-64.5	139.7	178	25.1	-34	0	0	0	112	L229 D230 G253	L229-P293 HydrophobicContact CB-CB 4.41Å; L229-P293 VanDerWaalsContact O-CA 3.27Å; L229-P293 WeakPolarHBondContact O-CA 3.2Å; D230-P293 HydrophobicContact CB-CB 4.19Å; G253-P293 PolarHBondContact N-O 3.01Å
294	I	96	Very high	96.2	Very high	7 Å²	7	24.3 Å²	24.3	4%	0.036	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	141.5	162.7	61	169.3	0	0	0	109.7	L229 F250 K251 R299	L229-I294 HydrophobicContact CD2-CG1 4.02Å; L229-I294 PolarHBondContact O-N 3.39Å; L229-I294 VanDerWaalsContact O-N 3.11Å; F250-I294 HydrophobicContact CB-CG2 4.44Å; F250-I294 HydrophobicContact CD2-CG2 4.22Å; K251-I294 WeakPolarHBondContact O-CA 3.29Å; I294-R299 HydrophobicContact CG2-CB 4.4Å
295	S	94.8	Very high	96.3	Very high	65 Å²	65	24 Å²	24	46%	0.455	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-15.3	175.2	61.7	0	0	0	0	113.5	K251 D252	K251-S295 WeakPolarHBondContact CB-OG 3.22Å; K251-S295 PolarHBondContact O-N 3.48Å; D252-S295 WeakPolarHBondContact OD2-CB 3.37Å; D252-S295 PolarHBondContact OD2-OG 3.48Å
296	C	94	Very high	96.4	Very high	65 Å²	65	24 Å²	24	44%	0.439	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	152.8	-178.1	-171.2	0	0	0	0	111.2	F250 K251	F250-C296 WeakPolarHBondContact CA-O 3.31Å; F250-C296 WeakPolarHBondContact CB-O 3.37Å; K251-C296 HydrophobicContact CB-CB 4.23Å; K251-C296 HydrophobicContact CD-CB 4.41Å; K251-C296 HydrophobicContact CG-CB 4.38Å; K251-C296 PolarHBondContact N-O 2.73Å
297	G	94	Very high	96.6	Very high	27 Å²	27	21.3 Å²	21.3	28%	0.278	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	82.5	-149.9	167.6	0	0	0	0	0	114.1	E249	E249-G297 CarbonylContact O-C 3.49Å; E249-G297 VanDerWaalsContact O-CA 3.23Å; E249-G297 WeakPolarHBondContact O-CA 3.4Å
298	Q	94.5	Very high	96.8	Very high	67 Å²	67	20.8 Å²	20.8	31%	0.313	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144.3	-179	-67.1	-179	-36.9	0	0	109.6	Y223 A224 K248 E249	Y223-Q298 CarbonylContact O-C 3.48Å; Y223-Q298 VanDerWaalsContact O-CA 3.32Å; Y223-Q298 WeakPolarHBondContact O-CA 3.32Å; A224-Q298 HydrophobicContact CB-CG 3.88Å; K248-Q298 HydrophobicContact CB-CB 4.11Å; K248-Q298 WeakPolarHBondContact CB-O 3.45Å; K248-Q298 HydrophobicContact CG-CB 4.39Å; E249-Q298 PolarHBondContact O-N 3.13Å
299	R	95.5	Very high	96.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	125.8	178.5	175.2	-176.5	167.8	-160.5	15.4	109.5	Y223 F250 G253 H275 I294 N301	Y223-R299 HydrophobicContact CD2-CB 4.37Å; Y223-R299 HydrophobicContact CD2-CG 4.29Å; Y223-R299 PolarHBondContact N-O 3.15Å; Y223-R299 PolarHBondContact O-N 2.72Å; F250-R299 HydrophobicContact CB-CB 4.27Å; F250-R299 HydrophobicContact CD1-CB 3.68Å; F250-R299 HydrophobicContact CD1-CG 3.98Å; F250-R299 HydrophobicContact CD2-CB 4.28Å; F250-R299 HydrophobicContact CD2-CG 4.47Å; F250-R299 HydrophobicContact CE1-CB 4.05Å; F250-R299 HydrophobicContact CE1-CG 3.79Å; F250-R299 HydrophobicContact CE2-CG 4.31Å; F250-R299 HydrophobicContact CG-CB 3.82Å; F250-R299 HydrophobicContact CG-CG 4.33Å; F250-R299 HydrophobicContact CZ-CG 3.98Å; G253-R299 PolarHBondContact O-NH1 2.85Å; G253-R299 PolarHBondContact O-NH2 3Å; H275-R299 PolarHBondContact CE1-NH2 3.04Å; H275-R299 VanDerWaalsContact CG-NH2 3.26Å; H275-R299 PolarHBondContact ND1-NE 2.83Å; H275-R299 PolarHBondContact ND1-NH2 3.05Å; I294-R299 HydrophobicContact CG2-CB 4.4Å; R299-N301 WeakPolarHBondContact CG-OD1 3.15Å; R299-N301 VanDerWaalsContact CZ-ND2 3.3Å; R299-N301 PolarHBondContact NE-ND2 2.93Å; R299-N301 VanDerWaalsContact NE-ND2 3.18Å; R299-N301 PolarHBondContact NE-OD1 3Å; R299-N301 PolarHBondContact NH2-ND2 3.4Å
300	W	97.6	Very high	96.7	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.4	176	-70.9	72.9	0	0	0	109.5	V153 L156 E157 E160 I177 V220 V221 K222 L246 G247	V153-W300 HydrophobicContact CG1-CD2 4.47Å; V153-W300 HydrophobicContact CG1-CG 4.38Å; V153-W300 HydrophobicContact CG2-CB 4.27Å; L156-W300 HydrophobicContact CB-CE3 4.34Å; L156-W300 HydrophobicContact CB-CH2 4.37Å; L156-W300 HydrophobicContact CB-CZ3 3.77Å; L156-W300 HydrophobicContact CD1-CE3 4.48Å; E157-W300 HydrophobicContact CG-CH2 4.09Å; E157-W300 HydrophobicContact CG-CZ2 3.65Å; E160-W300 HydrophobicContact CG-CH2 3.85Å; I177-W300 HydrophobicContact CD1-CZ3 4.18Å; V220-W300 HydrophobicContact CG1-CE3 3.52Å; V220-W300 HydrophobicContact CG1-CZ3 4.06Å; V221-W300 WeakPolarHBondContact O-CA 3.29Å; K222-W300 HydrophobicContact CB-CD2 4.35Å; K222-W300 HydrophobicContact CB-CE3 4.47Å; K222-W300 HydrophobicContact CB-CZ2 4.46Å; K222-W300 HydrophobicContact CD-CH2 4.08Å; K222-W300 HydrophobicContact CD-CZ2 3.58Å; K222-W300 HydrophobicContact CG-CD2 4.27Å; K222-W300 HydrophobicContact CG-CZ2 3.95Å; L246-W300 HydrophobicContact CB-CB 4.26Å; L246-W300 PolarHBondContact N-O 3.35Å; G247-W300 PolarHBondContact O-N 3.13Å
301	N	98.1	Very high	96.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.1	177.4	-58	-19.4	0	0	0	111.5	V220 V221 N243 V244 H275 R299 I303	V220-N301 CarbonylContact C-O 3.45Å; V220-N301 VanDerWaalsContact CA-O 3.23Å; V220-N301 WeakPolarHBondContact CA-O 3.17Å; V220-N301 WeakPolarHBondContact CG1-O 3.43Å; V221-N301 HydrophobicContact CG2-CB 3.8Å; V221-N301 PolarHBondContact N-O 3.33Å; V221-N301 PolarHBondContact O-N 3Å; N243-N301 WeakPolarHBondContact OD1-CB 3.36Å; N243-N301 PolarHBondContact OD1-ND2 3.41Å; V244-N301 CarbonylContact O-C 3.5Å; V244-N301 WeakPolarHBondContact O-CA 3.19Å; H275-N301 PolarHBondContact CE1-OD1 3.03Å; R299-N301 WeakPolarHBondContact CG-OD1 3.15Å; R299-N301 VanDerWaalsContact CZ-ND2 3.3Å; R299-N301 PolarHBondContact NE-ND2 2.93Å; R299-N301 VanDerWaalsContact NE-ND2 3.18Å; R299-N301 PolarHBondContact NE-OD1 3Å; R299-N301 PolarHBondContact NH2-ND2 3.4Å; N301-I303 HydrophobicContact CB-CD1 4.07Å
302	L	98.7	Very high	96.6	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	123	164.6	169.8	66.1	0	0	0	109	F144 L179 I189 V220 N243 V244 L246 V304	F144-L302 HydrophobicContact CE2-CD2 3.82Å; F144-L302 HydrophobicContact CZ-CD2 4.07Å; L179-L302 HydrophobicContact CD1-CD1 3.36Å; I189-L302 HydrophobicContact CD1-CD1 4.4Å; V220-L302 HydrophobicContact CG2-CD1 4.23Å; N243-L302 CarbonylContact C-O 3.44Å; N243-L302 WeakPolarHBondContact CA-O 3.4Å; V244-L302 HydrophobicContact CB-CB 4.26Å; V244-L302 PolarHBondContact N-O 2.97Å; V244-L302 PolarHBondContact O-N 3.23Å; L246-L302 HydrophobicContact CD1-CB 4.03Å; L246-L302 HydrophobicContact CD2-CB 3.92Å; L246-L302 HydrophobicContact CG-CB 4Å; L302-V304 HydrophobicContact CD1-CG2 4.18Å; L302-V304 HydrophobicContact CD2-CG2 4.26Å; L302-V304 HydrophobicContact CG-CG2 4.03Å
303	I	98.7	Very high	96.6	Very high	10 Å²	10	25.4 Å²	25.4	5%	0.051	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.3	173.6	-46.7	-58.6	0	0	0	108.9	A218 F219 V221 T241 L242 N243 N301	A218-I303 VanDerWaalsContact CA-O 3.27Å; A218-I303 WeakPolarHBondContact CA-O 3.37Å; F219-I303 HydrophobicContact CD2-CB 4.06Å; F219-I303 HydrophobicContact CD2-CG1 4.18Å; F219-I303 HydrophobicContact CE1-CB 4.14Å; F219-I303 HydrophobicContact CE1-CG2 4.03Å; F219-I303 HydrophobicContact CE2-CB 3.64Å; F219-I303 HydrophobicContact CE2-CG1 3.68Å; F219-I303 HydrophobicContact CE2-CG2 4.03Å; F219-I303 HydrophobicContact CG-CB 4.48Å; F219-I303 HydrophobicContact CZ-CB 3.69Å; F219-I303 HydrophobicContact CZ-CG1 4.15Å; F219-I303 HydrophobicContact CZ-CG2 3.58Å; F219-I303 PolarHBondContact N-O 3.08Å; F219-I303 PolarHBondContact O-N 3.06Å; V221-I303 HydrophobicContact CG1-CG1 4.5Å; V221-I303 HydrophobicContact CG2-CD1 4.49Å; V221-I303 HydrophobicContact CG2-CG1 4.26Å; T241-I303 HydrophobicContact CG2-CG2 4.06Å; L242-I303 CarbonylContact O-C 3.51Å; L242-I303 WeakPolarHBondContact O-CA 3.45Å; N243-I303 HydrophobicContact CB-CD1 3.67Å; N243-I303 VanDerWaalsContact ND2-CD1 3.32Å; N243-I303 WeakPolarHBondContact ND2-CD1 3.37Å; N243-I303 WeakPolarHBondContact OD1-CD1 3.41Å; N301-I303 HydrophobicContact CB-CD1 4.07Å
304	V	98.8	Very high	96.6	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	106.6	173.7	-170.1	0	0	0	0	108.8	I189 H216 A218 T241 L242 L302 M306	I189-V304 HydrophobicContact CD1-CG2 4.46Å; I189-V304 HydrophobicContact CG2-CG1 4.03Å; H216-V304 HydrophobicContact CB-CG1 4.27Å; A218-V304 HydrophobicContact CB-CG1 4.5Å; A218-V304 HydrophobicContact CB-CG2 4.25Å; T241-V304 WeakPolarHBondContact CA-O 3.17Å; L242-V304 HydrophobicContact CB-CB 4.39Å; L242-V304 PolarHBondContact N-O 3.06Å; L242-V304 PolarHBondContact O-N 2.99Å; L302-V304 HydrophobicContact CD1-CG2 4.18Å; L302-V304 HydrophobicContact CD2-CG2 4.26Å; L302-V304 HydrophobicContact CG-CG2 4.03Å; V304-M306 HydrophobicContact CG1-CG 3.93Å; V304-M306 PolarHBondContact O-N 3.13Å
305	W	98.7	Very high	96.5	Very high	28 Å²	28	32.3 Å²	32.3	11%	0.106	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	108.7	169.6	-70.4	-9.5	0	0	0	108.9	N170 H216 K217 F219 D236 N237 A238	N170-W305 HydrophobicContact CB-CH2 4.42Å; H216-W305 CarbonylContact C-O 3.5Å; H216-W305 WeakPolarHBondContact CA-O 3.36Å; H216-W305 WeakPolarHBondContact CB-O 3.29Å; K217-W305 HydrophobicContact CB-CB 4.38Å; K217-W305 HydrophobicContact CB-CE3 4.39Å; K217-W305 HydrophobicContact CD-CE3 4.1Å; K217-W305 HydrophobicContact CD-CZ3 4.26Å; K217-W305 PolarHBondContact N-O 3.28Å; K217-W305 PolarHBondContact O-N 3.39Å; F219-W305 AromaticContact CE1-CD2 3.77Å; F219-W305 HydrophobicContact CE1-CD2 3.77Å; F219-W305 AromaticContact CE1-CE2 3.66Å; F219-W305 HydrophobicContact CE1-CE3 4.14Å; F219-W305 HydrophobicContact CE1-CG 4.23Å; F219-W305 HydrophobicContact CE1-CH2 4.31Å; F219-W305 AromaticContact CE1-CZ2 3.97Å; F219-W305 HydrophobicContact CE1-CZ2 3.97Å; F219-W305 HydrophobicContact CE1-CZ3 4.39Å; F219-W305 HydrophobicContact CZ-CD2 4.28Å; F219-W305 AromaticContact CZ-CE2 3.67Å; F219-W305 HydrophobicContact CZ-CH2 4.34Å; F219-W305 AromaticContact CZ-CZ2 3.73Å; F219-W305 HydrophobicContact CZ-CZ2 3.73Å; F219-W305 AromaticContact CZ-NE1 3.9Å; D236-W305 HydrophobicContact CB-CZ2 4.4Å; D236-W305 PolarHBondContact OD1-NE1 2.95Å; N237-W305 HydrophobicContact CB-CE3 4.1Å; N237-W305 HydrophobicContact CB-CH2 4.41Å; N237-W305 HydrophobicContact CB-CZ3 3.87Å; A238-W305 HydrophobicContact CB-CB 3.73Å; A238-W305 HydrophobicContact CB-CG 3.98Å
306	M	98.7	Very high	96.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	136.3	176.6	-60.4	173.8	-75.8	0	0	109.9	R193 L197 L213 E239 V240 L242 L282 V304	R193-M306 HydrophobicContact CG-CG 4.22Å; R193-M306 HydrophobicContact CG-SD 4.1Å; L197-M306 HydrophobicContact CB-CE 4.11Å; L197-M306 HydrophobicContact CB-SD 3.6Å; L197-M306 HydrophobicContact CD1-CE 4.05Å; L197-M306 HydrophobicContact CD1-SD 3.66Å; L197-M306 HydrophobicContact CG-SD 4.29Å; L213-M306 HydrophobicContact CB-CB 4.29Å; L213-M306 HydrophobicContact CD1-CB 3.88Å; L213-M306 HydrophobicContact CD1-CE 4.4Å; L213-M306 HydrophobicContact CD1-SD 4Å; L213-M306 HydrophobicContact CD2-CB 3.94Å; L213-M306 HydrophobicContact CG-CB 4.24Å; E239-M306 PolarHBondContact N-O 3.3Å; V240-M306 HydrophobicContact CB-CE 4.05Å; V240-M306 HydrophobicContact CG1-CE 3.73Å; V240-M306 PolarHBondContact N-O 3.16Å; V240-M306 WeakPolarHBondContact O-CA 3.34Å; V240-M306 WeakPolarHBondContact O-CB 3.33Å; V240-M306 PolarHBondContact O-N 3.49Å; L242-M306 HydrophobicContact CB-CE 4.48Å; L282-M306 HydrophobicContact CD1-CE 3.79Å; V304-M306 HydrophobicContact CG1-CG 3.93Å; V304-M306 PolarHBondContact O-N 3.13Å
307	R	98.4	Very high	96.4	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.008	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.6	-169.1	-65.3	172.7	-179.3	159.1	-13.1	111.5	L213 D214 S215 N237 E239 A332 D333	L213-R307 CarbonylContact C-O 3.59Å; L213-R307 VanDerWaalsContact CA-O 3.22Å; L213-R307 WeakPolarHBondContact CA-O 3.48Å; D214-R307 PolarHBondContact N-O 3.29Å; S215-R307 PolarHBondContact N-O 3.35Å; S215-R307 PolarHBondContact O-N 3.01Å; S215-R307 WeakPolarHBondContact OG-CB 3.2Å; N237-R307 PolarHBondContact ND2-NH2 3.36Å; N237-R307 VanDerWaalsContact ND2-NH2 3.16Å; N237-R307 PolarHBondContact O-NE 2.87Å; N237-R307 PolarHBondContact O-NH2 3.33Å; E239-R307 WeakPolarHBondContact OE2-CA 3.02Å; E239-R307 WeakPolarHBondContact OE2-CB 3.33Å; R307-A332 PolarHBondContact NH1-O 3.04Å; R307-D333 IonicContact NH2-OD1 3.45Å
308	A	97.6	Very high	96.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.129	C	C	.	.			trans	-116.6	106.4	178.1	0	0	0	0	0	109.9	C212 L213 E239 Q310 E311 R312	C212-A308 WeakPolarHBondContact O-CA 3.12Å; C212-A308 WeakPolarHBondContact O-CB 3.23Å; L213-A308 HydrophobicContact CD2-CB 4.25Å; E239-A308 HydrophobicContact CG-CB 4.14Å; E239-A308 PolarHBondContact OE2-N 3.11Å; A308-Q310 PolarHBondContact O-N 3.36Å; A308-Q310 VanDerWaalsContact O-N 3.15Å; A308-E311 HydrophobicContact CB-CG 4.32Å; A308-E311 PolarHBondContact O-N 2.91Å; A308-R312 PolarHBondContact O-N 3.5Å; A308-R312 VanDerWaalsContact O-N 3.13Å
309	S	97.1	Very high	96.2	Very high	6 Å²	6	25 Å²	25	4%	0.042	12%	0.121	C	C	.	.	H	α-helix	trans	-59.2	-30.4	-178.1	76.8	0	0	0	0	113.1	D214 E311 R312 N313 G334 T336	D214-S309 PolarHBondContact OD1-N 2.94Å; D214-S309 WeakPolarHBondContact OD2-CB 3.39Å; D214-S309 PolarHBondContact OD2-N 3.35Å; D214-S309 PolarHBondContact OD2-OG 2.75Å; S309-E311 VanDerWaalsContact C-N 3.29Å; S309-E311 PolarHBondContact O-N 2.84Å; S309-R312 PolarHBondContact O-N 3.48Å; S309-N313 WeakPolarHBondContact O-CB 3.27Å; S309-N313 PolarHBondContact O-N 3.01Å; S309-N313 PolarHBondContact O-ND2 3.32Å; S309-N313 VanDerWaalsContact O-ND2 3.15Å; S309-N313 PolarHBondContact O-OD1 3.21Å; S309-G334 WeakPolarHBondContact CA-O 3.3Å; S309-G334 WeakPolarHBondContact CB-O 3.42Å; S309-T336 VanDerWaalsContact CB-OG1 3.29Å; S309-T336 WeakPolarHBondContact CB-OG1 3.42Å; S309-T336 PolarHBondContact OG-OG1 3.05Å
310	Q	95	Very high	96.1	Very high	110 Å²	110	29.4 Å²	29.4	51%	0.514	15%	0.145	S	C	.	.	H	α-helix	trans	-58.7	-37.6	175.7	-65.5	-174	8.9	0	0	113	C212 A308 K314	C212-Q310 HydrophobicContact CB-CG 4.46Å; A308-Q310 PolarHBondContact O-N 3.36Å; A308-Q310 VanDerWaalsContact O-N 3.15Å; Q310-K314 VanDerWaalsContact O-CE 3.28Å; Q310-K314 WeakPolarHBondContact O-CE 3.46Å; Q310-K314 WeakPolarHBondContact O-CG 3.37Å
311	E	95.8	Very high	95.9	Very high	56 Å²	56	34.7 Å²	34.7	26%	0.262	17%	0.165	S	C	.	.	H	α-helix	trans	-79.9	-44.6	177.1	-61.5	-47.5	130	0	0	111	E239 A308 S309 N313 K314 L315	E239-E311 HydrophobicContact CG-CB 4.37Å; A308-E311 HydrophobicContact CB-CG 4.32Å; A308-E311 PolarHBondContact O-N 2.91Å; S309-E311 VanDerWaalsContact C-N 3.29Å; S309-E311 PolarHBondContact O-N 2.84Å; E311-N313 VanDerWaalsContact C-N 3.3Å; E311-N313 PolarHBondContact O-N 2.88Å; E311-K314 WeakPolarHBondContact O-CB 3.47Å; E311-K314 PolarHBondContact O-N 2.92Å; E311-K314 IonicContact OE1-NZ 3.9Å; E311-K314 PolarHBondContact OE1-NZ 2.67Å; E311-K314 IonicContact OE2-NZ 3.23Å; E311-K314 PolarHBondContact OE2-NZ 2.92Å; E311-L315 PolarHBondContact O-N 3.13Å
312	R	95.7	Very high	95.9	Very high	1 Å²	1	43 Å²	43	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-61.3	-37.3	-179.4	-68.8	-173.4	169.6	-107.1	-23	113	N237 E239 A308 S309 K314 L315 D333 F335	N237-R312 PolarHBondContact O-NH2 3.08Å; N237-R312 PolarHBondContact OD1-NH1 3.17Å; N237-R312 PolarHBondContact OD1-NH2 3.23Å; E239-R312 IonicContact OE1-CZ 3.96Å; E239-R312 IonicContact OE1-NE 3.24Å; E239-R312 PolarHBondContact OE1-NE 3.26Å; E239-R312 IonicContact OE1-NH2 2.9Å; E239-R312 PolarHBondContact OE1-NH2 3.24Å; E239-R312 IonicContact OE2-CZ 3.25Å; E239-R312 IonicContact OE2-NE 3.66Å; E239-R312 PolarHBondContact OE2-NE 3.43Å; E239-R312 IonicContact OE2-NH2 3.78Å; A308-R312 PolarHBondContact O-N 3.5Å; A308-R312 VanDerWaalsContact O-N 3.13Å; S309-R312 PolarHBondContact O-N 3.48Å; R312-K314 PolarHBondContact O-N 2.94Å; R312-L315 CarbonylContact O-C 3.51Å; R312-L315 PolarHBondContact O-N 3.25Å; R312-D333 VanDerWaalsContact CD-O 3.27Å; R312-D333 WeakPolarHBondContact CD-O 3.44Å; R312-D333 PolarHBondContact NH1-O 3.37Å; R312-F335 HydrophobicContact CB-CD1 3.63Å; R312-F335 HydrophobicContact CB-CE1 3.62Å; R312-F335 HydrophobicContact CB-CG 4.32Å; R312-F335 HydrophobicContact CB-CZ 4.29Å; R312-F335 VanDerWaalsContact O-CE1 3.22Å; R312-F335 WeakPolarHBondContact O-CE1 3.32Å
313	N	96.1	Very high	95.8	Very high	19 Å²	19	43.8 Å²	43.8	10%	0.102	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.8	178.3	-68.7	-15.4	0	0	0	112.9	S309 E311 P323 T336	S309-N313 WeakPolarHBondContact O-CB 3.27Å; S309-N313 PolarHBondContact O-N 3.01Å; S309-N313 PolarHBondContact O-ND2 3.32Å; S309-N313 VanDerWaalsContact O-ND2 3.15Å; S309-N313 PolarHBondContact O-OD1 3.21Å; E311-N313 VanDerWaalsContact C-N 3.3Å; E311-N313 PolarHBondContact O-N 2.88Å; N313-P323 WeakPolarHBondContact O-CD 3.37Å; N313-T336 VanDerWaalsContact CG-O 3.25Å; N313-T336 PolarHBondContact ND2-O 3.37Å; N313-T336 PolarHBondContact ND2-OG1 2.99Å; N313-T336 PolarHBondContact OD1-N 2.72Å; N313-T336 PolarHBondContact OD1-O 2.96Å
314	K	95.3	Very high	95.6	Very high	127 Å²	127	46.6 Å²	46.6	55%	0.552	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-49.6	173.8	-58.4	168.5	-166.3	163.8	0	110.7	Q310 E311 R312	Q310-K314 VanDerWaalsContact O-CE 3.28Å; Q310-K314 WeakPolarHBondContact O-CE 3.46Å; Q310-K314 WeakPolarHBondContact O-CG 3.37Å; E311-K314 WeakPolarHBondContact O-CB 3.47Å; E311-K314 PolarHBondContact O-N 2.92Å; E311-K314 IonicContact OE1-NZ 3.9Å; E311-K314 PolarHBondContact OE1-NZ 2.67Å; E311-K314 IonicContact OE2-NZ 3.23Å; E311-K314 PolarHBondContact OE2-NZ 2.92Å; R312-K314 PolarHBondContact O-N 2.94Å
315	L	94.5	Very high	95.5	Very high	92 Å²	92	49.2 Å²	49.2	48%	0.482	24%	0.24	S	C	.	.			trans	-147.7	123.3	-174.4	-163.7	74	0	0	0	110.9	E311 R312 N320	E311-L315 PolarHBondContact O-N 3.13Å; R312-L315 CarbonylContact O-C 3.51Å; R312-L315 PolarHBondContact O-N 3.25Å; L315-N320 VanDerWaalsContact CD1-C 3.45Å; L315-N320 WeakPolarHBondContact CD1-O 3.31Å
316	C	94.9	Very high	95.3	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.014	25%	0.251	C	S	.	.			trans	-68.9	124.4	175.2	176	0	0	0	0	110.5	C14 M318 N320 R321 P323 F335	C14-C316 HydrophobicContact CB-CB 4.42Å; C316-M318 PolarHBondContact O-N 2.72Å; C316-N320 VanDerWaalsContact O-CA 3.27Å; C316-N320 WeakPolarHBondContact O-CA 3.4Å; C316-N320 PolarHBondContact O-N 3.13Å; C316-R321 VanDerWaalsContact CB-O 3.29Å; C316-R321 WeakPolarHBondContact CB-O 3.48Å; C316-R321 PolarHBondContact N-O 3.05Å; C316-P323 HydrophobicContact CB-CB 4.3Å; C316-F335 HydrophobicContact CB-CE1 4.25Å; C316-F335 HydrophobicContact CB-CZ 4.15Å
317	P	91.6	Very high	94.9	Very high	13 Å²	13	57 Å²	57	8%	0.084	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-16.5	-178.7	28.1	-35.4	0	0	0	113.2	R261	R261-P317 PolarHBondContact NH1-O 2.94Å
318	M	90.4	Very high	94.5	Very high	34 Å²	34	57.5 Å²	57.5	17%	0.167	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-51.2	177.8	-176.2	177.6	-69.7	0	0	112	F17 N21 C316	F17-M318 HydrophobicContact CD2-CE 3.91Å; N21-M318 HydrophobicContact CB-CG 3.79Å; N21-M318 HydrophobicContact CB-SD 4.17Å; C316-M318 PolarHBondContact O-N 2.72Å
319	C	93	Very high	94	Very high	21 Å²	21	62.7 Å²	62.7	14%	0.142	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-2.2	-173.6	70.9	0	0	0	0	115	C16 R321	C16-C319 HydrophobicContact CB-CB 3.71Å; C319-R321 PolarHBondContact O-N 2.95Å
320	N	92.8	Very high	93.7	Very high	92 Å²	92	65.6 Å²	65.6	49%	0.492	34%	0.342	S	S	.	.	S	Bend	trans	53	37.5	-178	-60	-34.8	0	0	0	113.3	L315 C316	L315-N320 VanDerWaalsContact CD1-C 3.45Å; L315-N320 WeakPolarHBondContact CD1-O 3.31Å; C316-N320 VanDerWaalsContact O-CA 3.27Å; C316-N320 WeakPolarHBondContact O-CA 3.4Å; C316-N320 PolarHBondContact O-N 3.13Å
321	R	95	Very high	93.7	Very high	114 Å²	114	62.1 Å²	62.1	43%	0.43	33%	0.325	S	S	.	.	S	Bend	trans	-130.7	161.3	175.2	-64.9	179.4	-67.9	-136.5	-4.2	109.9	D20 C316 C319	D20-R321 IonicContact OD1-CZ 3.28Å; D20-R321 IonicContact OD1-NH2 3.65Å; D20-R321 PolarHBondContact OD1-NH2 3.17Å; D20-R321 IonicContact OD2-NH2 3.56Å; C316-R321 VanDerWaalsContact CB-O 3.29Å; C316-R321 WeakPolarHBondContact CB-O 3.48Å; C316-R321 PolarHBondContact N-O 3.05Å; C319-R321 PolarHBondContact O-N 2.95Å
322	K	96.3	Very high	93.6	Very high	173 Å²	173	60.7 Å²	60.7	75%	0.752	32%	0.323	S	S	*	.			trans	-54.3	128	168.9	-172.9	173.7	-177.1	173.9	0	108.9
323	P	96.6	Very high	93.5	Very high	19 Å²	19	61.6 Å²	61.6	12%	0.123	33%	0.328	C	S	.	.			trans	-69.2	141.8	-171.9	28.6	-36.4	0	0	0	111.8	C14 N313 C316 L325 F335	C14-P323 HydrophobicContact CB-CB 4.14Å; N313-P323 WeakPolarHBondContact O-CD 3.37Å; C316-P323 HydrophobicContact CB-CB 4.3Å; P323-L325 HydrophobicContact CB-CD2 3.94Å; P323-L325 HydrophobicContact CG-CD2 4.19Å; P323-F335 HydrophobicContact CB-CD1 3.71Å; P323-F335 HydrophobicContact CB-CE1 3.55Å; P323-F335 HydrophobicContact CB-CZ 4.36Å; P323-F335 HydrophobicContact CG-CD1 3.74Å; P323-F335 HydrophobicContact CG-CE1 3.82Å
324	S	96.1	Very high	93.5	Very high	69 Å²	69	60.7 Å²	60.7	48%	0.483	32%	0.323	S	S	.	.			trans	-100	112.8	165.3	178.9	0	0	0	0	107.7	C14 S15	C14-S324 CarbonylContact C-O 3.44Å; C14-S324 WeakPolarHBondContact CA-O 3.48Å; S15-S324 PolarHBondContact N-O 3.03Å; S15-S324 WeakPolarHBondContact OG-CB 3.49Å
325	L	95.8	Very high	93.6	Very high	55 Å²	55	54.8 Å²	54.8	29%	0.288	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	129	-166.7	-57.5	-177.1	0	0	0	112	Y12 P323 F335 T336 K337	Y12-L325 HydrophobicContact CD1-CB 4.09Å; Y12-L325 HydrophobicContact CD2-CD1 4.35Å; Y12-L325 HydrophobicContact CG-CB 4.07Å; Y12-L325 HydrophobicContact CG-CD1 4.33Å; P323-L325 HydrophobicContact CB-CD2 3.94Å; P323-L325 HydrophobicContact CG-CD2 4.19Å; L325-F335 HydrophobicContact CD2-CB 3.5Å; L325-F335 VanDerWaalsContact CD2-CB 3.5Å; L325-F335 HydrophobicContact CD2-CD1 4.1Å; L325-F335 HydrophobicContact CD2-CG 3.91Å; L325-T336 WeakPolarHBondContact CD1-O 3.49Å; L325-K337 HydrophobicContact CD1-CG 3.83Å
326	M	94.1	Very high	93.6	Very high	69 Å²	69	51.2 Å²	51.2	34%	0.34	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	144.3	170.9	-58.1	-168.8	-46.7	0	0	110	Y12 T13 S15 T18	Y12-M326 WeakPolarHBondContact CA-O 3.29Å; Y12-M326 WeakPolarHBondContact CB-O 3.45Å; Y12-M326 WeakPolarHBondContact CD1-O 3.32Å; T13-M326 PolarHBondContact N-O 3.35Å; T13-M326 PolarHBondContact O-N 3.2Å; S15-M326 VanDerWaalsContact CB-SD 3.57Å; T18-M326 HydrophobicContact CG2-CE 4.29Å
327	E	90.9	Very high	93.4	Very high	124 Å²	124	57.4 Å²	57.4	58%	0.579	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.9	140.6	177.3	-59	-162.4	156	0	0	111	R10 Y12	R10-E327 VanDerWaalsContact CZ-CD 3.41Å; R10-E327 IonicContact CZ-OE1 3.34Å; R10-E327 IonicContact CZ-OE2 3.78Å; R10-E327 IonicContact NH1-OE1 2.72Å; R10-E327 PolarHBondContact NH1-OE1 3.3Å; R10-E327 IonicContact NH1-OE2 2.76Å; R10-E327 PolarHBondContact NH1-OE2 3.06Å; R10-E327 IonicContact NH2-OE1 3.13Å; R10-E327 PolarHBondContact NH2-OE1 3.31Å; R10-E327 IonicContact NH2-OE2 3.46Å; R10-E327 PolarHBondContact NH2-OE2 2.98Å; Y12-E327 HydrophobicContact CE1-CG 4.11Å
328	A	89.4	Confident	92.6	Very high	12 Å²	12	62.1 Å²	62.1	10%	0.099	33%	0.327	C	S	.	.			trans	-153.9	170.1	177.7	0	0	0	0	0	108.9	A332	A328-A332 HydrophobicContact CB-CB 3.44Å; A328-A332 VanDerWaalsContact CB-CB 3.44Å
329	D	88.3	Confident	91.1	Very high	108 Å²	108	63.6 Å²	63.6	58%	0.578	34%	0.341	S	S	*	.	S	Bend	trans	-97.3	159.3	-178	-63.8	-41.4	0	0	0	112.5	F331 A332	D329-F331 PolarHBondContact O-N 2.87Å; D329-A332 PolarHBondContact O-N 3.04Å; D329-A332 VanDerWaalsContact O-N 3.14Å
330	G	90.7	Very high	88.8	Confident	67 Å²	67	70.8 Å²	70.8	69%	0.691	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	-133.9	179.3	0	0	0	0	0	112.3
331	F	94.5	Very high	86.4	Confident	37 Å²	37	70.8 Å²	70.8	16%	0.162	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-8.5	175.8	-72.8	-51.9	0	0	0	114.4	F11 S215 H216 D329 D333 G334	F11-F331 WeakPolarHBondContact CB-O 3.43Å; F11-F331 AromaticContact CD2-CD1 3.61Å; F11-F331 HydrophobicContact CD2-CD1 3.61Å; F11-F331 HydrophobicContact CD2-CE1 4.18Å; F11-F331 HydrophobicContact CE1-CD1 4.37Å; F11-F331 AromaticContact CE2-CD1 3.4Å; F11-F331 HydrophobicContact CE2-CD1 3.4Å; F11-F331 VanDerWaalsContact CE2-CD1 3.4Å; F11-F331 AromaticContact CE2-CE1 3.57Å; F11-F331 HydrophobicContact CE2-CE1 3.57Å; F11-F331 HydrophobicContact CG-CD1 4.19Å; F11-F331 AromaticContact CZ-CD1 3.81Å; F11-F331 HydrophobicContact CZ-CD1 3.81Å; F11-F331 AromaticContact CZ-CE1 3.99Å; F11-F331 HydrophobicContact CZ-CE1 3.99Å; S215-F331 VanDerWaalsContact CB-CD1 3.45Å; H216-F331 AromaticContact CE1-CD2 3.91Å; H216-F331 AromaticContact CE1-CE2 3.31Å; H216-F331 WeakPolarHBondContact CE1-CE2 3.28Å; H216-F331 AromaticContact ND1-CE2 3.75Å; H216-F331 AromaticContact NE2-CE2 3.75Å; D329-F331 PolarHBondContact O-N 2.87Å; F331-D333 PolarHBondContact O-N 3.26Å; F331-G334 WeakPolarHBondContact O-CA 3.47Å; F331-G334 PolarHBondContact O-N 2.95Å
332	A	93.3	Very high	84	Confident	27 Å²	27	71.8 Å²	71.8	22%	0.223	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.3	-126.1	-179.8	0	0	0	0	0	113.1	F11 Y12 R307 A328 D329	F11-A332 HydrophobicContact CB-CB 4.29Å; Y12-A332 WeakPolarHBondContact O-CB 3.44Å; R307-A332 PolarHBondContact NH1-O 3.04Å; A328-A332 HydrophobicContact CB-CB 3.44Å; A328-A332 VanDerWaalsContact CB-CB 3.44Å; D329-A332 PolarHBondContact O-N 3.04Å; D329-A332 VanDerWaalsContact O-N 3.14Å
333	D	94.3	Very high	81.4	Confident	20 Å²	20	70.4 Å²	70.4	11%	0.107	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	16.3	170	-73.4	-53.2	0	0	0	113.5	Y12 T13 N237 R307 R312 F331 F335	Y12-D333 PolarHBondContact O-N 3.32Å; T13-D333 WeakPolarHBondContact CB-OD2 3.2Å; T13-D333 WeakPolarHBondContact CG2-OD2 3.4Å; T13-D333 PolarHBondContact OG1-N 3.36Å; T13-D333 PolarHBondContact OG1-OD2 3.18Å; N237-D333 PolarHBondContact ND2-OD1 2.88Å; R307-D333 IonicContact NH2-OD1 3.45Å; R312-D333 VanDerWaalsContact CD-O 3.27Å; R312-D333 WeakPolarHBondContact CD-O 3.44Å; R312-D333 PolarHBondContact NH1-O 3.37Å; F331-D333 PolarHBondContact O-N 3.26Å; D333-F335 HydrophobicContact CB-CD2 3.77Å; D333-F335 HydrophobicContact CB-CE2 3.58Å
334	G	95.6	Very high	78.4	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	42%	0.415	C	S	.	.	S	Bend	trans	76	20.4	173.2	0	0	0	0	0	115.1	S215 S309 F331	S215-G334 VanDerWaalsContact OG-CA 3.24Å; S215-G334 WeakPolarHBondContact OG-CA 3.35Å; S309-G334 WeakPolarHBondContact CA-O 3.3Å; S309-G334 WeakPolarHBondContact CB-O 3.42Å; F331-G334 WeakPolarHBondContact O-CA 3.47Å; F331-G334 PolarHBondContact O-N 2.95Å
335	F	96.8	Very high	75.5	Confident	3 Å²	3	75.8 Å²	75.8	1%	0.013	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	149.5	171.9	-60	-92	0	0	0	110.7	F11 Y12 C14 R312 C316 P323 L325 D333	F11-F335 CarbonylContact C-O 3.4Å; F11-F335 WeakPolarHBondContact CA-O 3.26Å; Y12-F335 PolarHBondContact N-O 3.47Å; Y12-F335 WeakPolarHBondContact O-CD2 3.37Å; Y12-F335 PolarHBondContact O-N 2.75Å; C14-F335 HydrophobicContact CB-CE1 4.47Å; C14-F335 HydrophobicContact CB-CE2 3.91Å; C14-F335 HydrophobicContact CB-CZ 3.87Å; R312-F335 HydrophobicContact CB-CD1 3.63Å; R312-F335 HydrophobicContact CB-CE1 3.62Å; R312-F335 HydrophobicContact CB-CG 4.32Å; R312-F335 HydrophobicContact CB-CZ 4.29Å; R312-F335 VanDerWaalsContact O-CE1 3.22Å; R312-F335 WeakPolarHBondContact O-CE1 3.32Å; C316-F335 HydrophobicContact CB-CE1 4.25Å; C316-F335 HydrophobicContact CB-CZ 4.15Å; P323-F335 HydrophobicContact CB-CD1 3.71Å; P323-F335 HydrophobicContact CB-CE1 3.55Å; P323-F335 HydrophobicContact CB-CZ 4.36Å; P323-F335 HydrophobicContact CG-CD1 3.74Å; P323-F335 HydrophobicContact CG-CE1 3.82Å; L325-F335 HydrophobicContact CD2-CB 3.5Å; L325-F335 VanDerWaalsContact CD2-CB 3.5Å; L325-F335 HydrophobicContact CD2-CD1 4.1Å; L325-F335 HydrophobicContact CD2-CG 3.91Å; D333-F335 HydrophobicContact CB-CD2 3.77Å; D333-F335 HydrophobicContact CB-CE2 3.58Å
336	T	96	Very high	72.6	Confident	17 Å²	17	82.8 Å²	82.8	10%	0.104	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	159.8	175.9	56.2	0	0	0	0	110.4	F11 S309 N313 L325	F11-T336 HydrophobicContact CD1-CG2 3.67Å; F11-T336 HydrophobicContact CE1-CG2 3.6Å; F11-T336 HydrophobicContact CG-CG2 4.44Å; F11-T336 HydrophobicContact CZ-CG2 4.3Å; S309-T336 VanDerWaalsContact CB-OG1 3.29Å; S309-T336 WeakPolarHBondContact CB-OG1 3.42Å; S309-T336 PolarHBondContact OG-OG1 3.05Å; N313-T336 VanDerWaalsContact CG-O 3.25Å; N313-T336 PolarHBondContact ND2-O 3.37Å; N313-T336 PolarHBondContact ND2-OG1 2.99Å; N313-T336 PolarHBondContact OD1-N 2.72Å; N313-T336 PolarHBondContact OD1-O 2.96Å; L325-T336 WeakPolarHBondContact CD1-O 3.49Å
337	K	90.6	Very high	69.9	Low	131 Å²	131	85.3 Å²	85.3	57%	0.57	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-82.8	125.9	166.9	-75	180	-178.1	178.9	0	108.3	Y12 L325 S339	Y12-K337 HydrophobicContact CD2-CG 4.34Å; Y12-K337 HydrophobicContact CE1-CD 4.4Å; Y12-K337 HydrophobicContact CE2-CB 4.3Å; Y12-K337 HydrophobicContact CE2-CD 4.1Å; Y12-K337 HydrophobicContact CE2-CG 3.7Å; Y12-K337 WeakPolarHBondContact OH-CD 3.45Å; Y12-K337 WeakPolarHBondContact OH-CE 3.08Å; L325-K337 HydrophobicContact CD1-CG 3.83Å; K337-S339 PolarHBondContact O-N 3.36Å
338	Q	74.4	Confident	67.2	Low	113 Å²	113	88.3 Å²	88.3	53%	0.528	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-60.9	129.7	168	-70	-176	-14	0	0	108.7
339	S	57.9	Low	64.8	Low	65 Å²	65	95.9 Å²	95.9	46%	0.455	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-67.1	133.5	170.1	53.8	0	0	0	0	108.9	K337 S341 Q342	K337-S339 PolarHBondContact O-N 3.36Å; S339-S341 WeakPolarHBondContact CB-OG 3.48Å; S339-S341 PolarHBondContact O-N 2.88Å; S339-S341 PolarHBondContact OG-OG 2.89Å; S339-Q342 PolarHBondContact O-N 2.8Å
340	E	45.3	Very low	62.5	Low	172 Å²	172	100.9 Å²	100.9	80%	0.804	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-53	-18.4	-180	-68.5	177.2	163.1	0	0	113.4	Q342 Q343	E340-Q342 VanDerWaalsContact C-N 3.29Å; E340-Q342 PolarHBondContact O-N 2.82Å; E340-Q343 PolarHBondContact O-N 3.24Å
341	S	43	Very low	61.1	Low	91 Å²	91	102.6 Å²	102.6	64%	0.636	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-64.1	-21.6	175.2	51.5	0	0	0	0	115.4	S339	S339-S341 WeakPolarHBondContact CB-OG 3.48Å; S339-S341 PolarHBondContact O-N 2.88Å; S339-S341 PolarHBondContact OG-OG 2.89Å
342	Q	44.5	Very low	59.3	Low	136 Å²	136	106 Å²	106	64%	0.636	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-88.5	-11.9	179.4	-74.6	-177.3	-16	0	0	113.9	S339 E340	S339-Q342 PolarHBondContact O-N 2.8Å; E340-Q342 VanDerWaalsContact C-N 3.29Å; E340-Q342 PolarHBondContact O-N 2.82Å
343	Q	40.4	Very low	57.4	Low	143 Å²	143	110.4 Å²	110.4	67%	0.668	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-79.2	-19.8	176.5	-77.9	-175.4	-9.2	0	0	113.5	E340	E340-Q343 PolarHBondContact O-N 3.24Å
344	N	34.3	Very low	55.2	Low	141 Å²	141	115.7 Å²	115.7	75%	0.754	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-90.4	2.9	-177.8	-75.2	-13	0	0	0	114.6
345	G	36.1	Very low	52.7	Low	61 Å²	61	122.9 Å²	122.9	63%	0.629	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-84.6	-4.2	-179.1	0	0	0	0	0	115.9
346	F	35	Very low	49.8	Very low	202 Å²	202	130.9 Å²	130.9	89%	0.886	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-115.2	17.5	-176.8	-93.3	-79.5	0	0	0	114.4	E348	F346-E348 PolarHBondContact O-N 2.87Å
347	C	36.9	Very low	46.5	Very low	121 Å²	121	139.1 Å²	139.1	82%	0.818	75%	0.747	S	S	*	*			trans	-99.1	70	168.4	-142.3	0	0	0	0	109.1	L349	C347-L349 PolarHBondContact O-N 3.2Å
348	E	34.5	Very low	43.1	Very low	188 Å²	188	139.7 Å²	139.7	88%	0.879	76%	0.761	S	S	*	*			trans	-76.7	111.5	163.8	-80.9	-166.8	160.5	0	0	109.2	F346	F346-E348 PolarHBondContact O-N 2.87Å
349	L	38.8	Very low	40.5	Very low	171 Å²	171	141.9 Å²	141.9	90%	0.895	78%	0.78	S	S	*	*			trans	-16.9	120.6	158.2	-64.3	150.3	0	0	0	115	C347	C347-L349 PolarHBondContact O-N 3.2Å
350	T	39	Very low	38.9	Very low	212 Å²	212	148.9 Å²	148.9	100%	1.301	81%	0.81	S	S	*	*			trans	-70	0	155.5	49.1	0	0	0	0	112.1

Retrieved 350 of 350 residues in 823.8 ms (Link to these results)

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