A0A077YY22_TRITR Loading...

phosphoglucomutase (alpha-D-glucose-1,6-bisphosphate-dependent)

AlphaFold DB , UniProt , Accession A0A077YY22, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 569 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	42.3	Very low	75.5	Confident	245 Å²	245	104.1 Å²	104.1	100%	1.207	61%	0.608	S	S	*	*				0	100.7	0	-65.8	-173.1	-142.2	0	0	106.5	S3	M1-S3 PolarHBondContact O-N 3.23Å
2	D	44.1	Very low	77.5	Confident	161 Å²	161	98 Å²	98	86%	0.861	57%	0.573	S	S	*	*			trans	-94.5	78.8	-177.1	-163	11.2	0	0	0	108	G4	D2-G4 PolarHBondContact O-N 3.27Å
3	S	47.5	Very low	79.1	Confident	102 Å²	102	98.5 Å²	98.5	71%	0.713	58%	0.581	S	S	*	*			trans	-73.9	83.1	168.9	55.9	0	0	0	0	107.1	M1 G5	M1-S3 PolarHBondContact O-N 3.23Å; S3-G5 PolarHBondContact O-N 2.9Å
4	G	53.1	Low	80.5	Confident	75 Å²	75	93.1 Å²	93.1	77%	0.773	55%	0.55	S	S	*	*			trans	-61.4	18.2	-172.8	0	0	0	0	0	117.1	D2	D2-G4 PolarHBondContact O-N 3.27Å
5	G	74	Confident	81.6	Confident	57 Å²	57	96.6 Å²	96.6	59%	0.588	56%	0.555	S	S	*	*	S	Bend	trans	-86.5	135.8	166.2	0	0	0	0	0	110.9	S3 L7	S3-G5 PolarHBondContact O-N 2.9Å; G5-L7 PolarHBondContact O-N 3.17Å
6	K	84.2	Confident	82.6	Confident	133 Å²	133	94.3 Å²	94.3	58%	0.578	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-64.8	133.7	165.6	-62.4	-178.5	-174.7	175.8	0	108.9	K180 D182	K6-K180 HydrophobicContact CG-CB 4.46Å; K6-D182 HydrophobicContact CB-CB 3.82Å; K6-D182 HydrophobicContact CD-CB 4.21Å; K6-D182 WeakPolarHBondContact CD-OD1 3.41Å; K6-D182 IonicContact NZ-OD1 3.58Å
7	L	94.6	Very high	83.5	Confident	34 Å²	34	90.9 Å²	90.9	18%	0.178	52%	0.522	C	S	.	.	B	Isolated β-bridge	trans	-68	142.7	176.7	-67.3	166.6	0	0	0	110.3	G5 C164 D166 L167 V179 K180 D182	G5-L7 PolarHBondContact O-N 3.17Å; L7-C164 HydrophobicContact CB-CB 4.47Å; L7-D166 HydrophobicContact CD2-CB 4.05Å; L7-L167 HydrophobicContact CD1-CB 3.96Å; L7-L167 HydrophobicContact CD1-CD1 3.66Å; L7-L167 HydrophobicContact CD1-CG 4.33Å; L7-V179 HydrophobicContact CD1-CG1 3.52Å; L7-K180 PolarHBondContact N-O 2.9Å; L7-D182 PolarHBondContact O-N 3.28Å
8	K	96.2	Very high	83.9	Confident	153 Å²	153	96.4 Å²	96.4	67%	0.665	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-95.1	139.9	177.5	-66.3	-176	179	-179.2	0	110.6
9	V	98.2	Very high	84	Confident	49 Å²	49	93.2 Å²	93.2	30%	0.297	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-80.8	137.2	170	178.4	0	0	0	0	109.4	A84 H162 V181 V184	V9-A84 HydrophobicContact CG1-CB 3.92Å; V9-A84 HydrophobicContact CG2-CB 3.98Å; V9-H162 HydrophobicContact CG1-CB 3.83Å; V9-V181 HydrophobicContact CG2-CG1 3.54Å; V9-V184 HydrophobicContact CG2-CG2 3.75Å
10	V	98.2	Very high	84.5	Confident	65 Å²	65	88.5 Å²	88.5	39%	0.394	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.7	168.4	176.9	0	0	0	0	108.5	V12 H162 L163 P165	V10-V12 HydrophobicContact CG1-CG2 4.12Å; V10-H162 WeakPolarHBondContact O-CA 3.33Å; V10-L163 PolarHBondContact N-O 3.07Å; V10-L163 PolarHBondContact O-N 2.8Å; V10-P165 HydrophobicContact CG2-CG 3.82Å
11	T	98.6	Very high	84.9	Confident	71 Å²	71	90.6 Å²	90.6	44%	0.436	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.7	167.7	-58.4	0	0	0	0	108.6	E160 H162	T11-E160 HydrophobicContact CG2-CB 3.85Å; T11-E160 VanDerWaalsContact CG2-CD 3.48Å; T11-E160 HydrophobicContact CG2-CG 4.12Å; T11-H162 PolarHBondContact OG1-CE1 3.17Å; T11-H162 PolarHBondContact OG1-ND1 3.1Å
12	V	98.7	Very high	87.2	Confident	31 Å²	31	79.9 Å²	79.9	19%	0.188	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.9	179.8	-175	0	0	0	0	108.8	V10 E160 Y161 L163	V10-V12 HydrophobicContact CG1-CG2 4.12Å; V12-E160 WeakPolarHBondContact O-CA 3.23Å; V12-E160 WeakPolarHBondContact O-CB 3.29Å; V12-Y161 HydrophobicContact CB-CD1 4.37Å; V12-Y161 HydrophobicContact CB-CD2 4.12Å; V12-Y161 HydrophobicContact CB-CE1 3.91Å; V12-Y161 HydrophobicContact CB-CE2 3.61Å; V12-Y161 HydrophobicContact CB-CG 4.48Å; V12-Y161 HydrophobicContact CG1-CE1 3.86Å; V12-Y161 HydrophobicContact CG1-CE2 4.14Å; V12-Y161 WeakPolarHBondContact CG1-OH 3.38Å; V12-Y161 HydrophobicContact CG2-CD2 4.38Å; V12-Y161 HydrophobicContact CG2-CE2 3.73Å; V12-Y161 PolarHBondContact N-O 2.67Å; V12-Y161 PolarHBondContact O-N 3.32Å; V12-L163 HydrophobicContact CG2-CG 4.41Å
13	P	98.3	Very high	89.2	Confident	104 Å²	104	74 Å²	74	68%	0.675	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	143.9	174.5	28.8	-34.1	0	0	0	110.1
14	T	98.4	Very high	90.7	Very high	24 Å²	24	71.6 Å²	71.6	15%	0.147	41%	0.413	C	S	.	.			trans	-148.7	-177.7	-178.6	-156	0	0	0	0	111.1	N38 N42 I158 S159 Y161	T14-N38 VanDerWaalsContact OG1-CB 3.31Å; T14-N38 WeakPolarHBondContact OG1-CB 3.41Å; T14-N42 WeakPolarHBondContact CB-ND2 3.47Å; T14-N42 WeakPolarHBondContact CG2-ND2 2.91Å; T14-N42 WeakPolarHBondContact CG2-OD1 3.25Å; T14-N42 PolarHBondContact OG1-ND2 3.21Å; T14-I158 HydrophobicContact CG2-CD1 4.44Å; T14-I158 HydrophobicContact CG2-CG1 4.05Å; T14-I158 HydrophobicContact CG2-CG2 4.38Å; T14-S159 PolarHBondContact N-O 3.15Å; T14-S159 VanDerWaalsContact O-O 3.14Å; T14-Y161 HydrophobicContact CG2-CD1 4.13Å
15	K	97.5	Very high	92.2	Very high	145 Å²	145	69 Å²	69	63%	0.63	38%	0.383	S	S	*	.			trans	-139.8	154.9	175.9	64.6	179.8	-177.4	177.4	0	110.1	F17 N42	K15-F17 VanDerWaalsContact O-CD2 3.24Å; K15-F17 WeakPolarHBondContact O-CD2 3.34Å; K15-F17 VanDerWaalsContact O-CE2 3.29Å; K15-F17 WeakPolarHBondContact O-CE2 3.34Å; K15-N42 PolarHBondContact O-OD1 3.06Å; K15-N42 VanDerWaalsContact O-OD1 3.09Å
16	P	97.9	Very high	93.1	Very high	60 Å²	60	66.8 Å²	66.8	39%	0.39	36%	0.36	S	S	.	.			trans	-54.8	146.3	173.5	-27.7	37.9	0	0	0	112.5	S155 T156 I158	P16-S155 WeakPolarHBondContact CB-O 3.41Å; P16-T156 VanDerWaalsContact CG-O 3.23Å; P16-T156 WeakPolarHBondContact CG-O 3.45Å; P16-I158 VanDerWaalsContact CD-O 3.28Å; P16-I158 WeakPolarHBondContact CD-O 3.22Å
17	F	97	Very high	93.6	Very high	36 Å²	36	60.5 Å²	60.5	16%	0.158	33%	0.333	C	S	.	.			trans	-116	138.7	172.1	-68.1	-92.8	0	0	0	110.1	K15 Q20 P37 N38 Y39 N42	K15-F17 VanDerWaalsContact O-CD2 3.24Å; K15-F17 WeakPolarHBondContact O-CD2 3.34Å; K15-F17 VanDerWaalsContact O-CE2 3.29Å; K15-F17 WeakPolarHBondContact O-CE2 3.34Å; F17-Q20 HydrophobicContact CB-CG 4.29Å; F17-P37 WeakPolarHBondContact CZ-O 3.21Å; F17-N38 HydrophobicContact CE2-CB 4.18Å; F17-N38 HydrophobicContact CZ-CB 4.22Å; F17-Y39 HydrophobicContact CB-CD2 3.7Å; F17-Y39 HydrophobicContact CB-CE2 3.77Å; F17-Y39 AromaticContact CD1-CD2 3.65Å; F17-Y39 HydrophobicContact CD1-CD2 3.65Å; F17-Y39 HydrophobicContact CD1-CE2 4.42Å; F17-Y39 HydrophobicContact CD2-CD2 4.25Å; F17-Y39 HydrophobicContact CE1-CD2 4.3Å; F17-Y39 AromaticContact CG-CD2 3.61Å; F17-Y39 HydrophobicContact CG-CD2 3.61Å; F17-Y39 HydrophobicContact CG-CE2 4.21Å; F17-N42 HydrophobicContact CD2-CB 4.41Å
18	E	91.5	Very high	93.6	Very high	190 Å²	190	60.6 Å²	60.6	89%	0.888	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	152.3	172.6	-66.7	-171.1	173.6	0	0	111.7	Q20	E18-Q20 PolarHBondContact O-N 3.05Å
19	G	86.4	Confident	93.5	Very high	35 Å²	35	56.1 Å²	56.1	36%	0.361	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	16.6	171.5	0	0	0	0	0	115.8	R21 L27 K29	G19-R21 VanDerWaalsContact C-N 3.25Å; G19-R21 PolarHBondContact O-N 3.14Å; G19-L27 WeakPolarHBondContact O-CD1 3.35Å; G19-K29 WeakPolarHBondContact O-CE 3.43Å; G19-K29 PolarHBondContact O-NZ 2.89Å
20	Q	93.2	Very high	93.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.307	C	S	.	.			trans	-83.3	13.2	172.9	-68.3	-160	-8.8	0	0	114.5	F17 E18 P22 L27 Y39 F43 S155	F17-Q20 HydrophobicContact CB-CG 4.29Å; E18-Q20 PolarHBondContact O-N 3.05Å; Q20-P22 VanDerWaalsContact O-CD 3.29Å; Q20-P22 WeakPolarHBondContact O-CD 3.47Å; Q20-L27 HydrophobicContact CB-CD2 4.49Å; Q20-L27 HydrophobicContact CG-CD2 4.37Å; Q20-Y39 HydrophobicContact CG-CE2 3.96Å; Q20-Y39 PolarHBondContact NE2-O 3.07Å; Q20-F43 HydrophobicContact CB-CD2 4.33Å; Q20-S155 VanDerWaalsContact OE1-CB 3.31Å
21	R	92.7	Very high	93.3	Very high	132 Å²	132	52.3 Å²	52.3	50%	0.498	29%	0.289	S	S	.	.			trans	-71.9	120.3	173.8	-173.6	171.3	-84.5	-158.2	-14.9	110	G19 E149 Y152	G19-R21 VanDerWaalsContact C-N 3.25Å; G19-R21 PolarHBondContact O-N 3.14Å; R21-E149 IonicContact CZ-OE2 2.73Å; R21-E149 IonicContact NE-OE2 3.43Å; R21-E149 IonicContact NH2-OE1 2.73Å; R21-E149 PolarHBondContact NH2-OE1 3.38Å; R21-E149 IonicContact NH2-OE2 3.15Å; R21-E149 PolarHBondContact NH2-OE2 3.39Å; R21-Y152 VanDerWaalsContact CA-CD2 3.41Å; R21-Y152 HydrophobicContact CB-CD2 3.51Å; R21-Y152 HydrophobicContact CB-CE2 3.68Å; R21-Y152 HydrophobicContact CB-CG 4Å; R21-Y152 HydrophobicContact CG-CD1 4.46Å; R21-Y152 HydrophobicContact CG-CD2 4.11Å; R21-Y152 HydrophobicContact CG-CE2 4.46Å; R21-Y152 HydrophobicContact CG-CG 4.07Å; R21-Y152 VanDerWaalsContact NE-CE1 3.29Å
22	P	90.7	Very high	93.3	Very high	20 Å²	20	52.2 Å²	52.2	13%	0.13	30%	0.296	C	S	.	.			trans	-62.5	146.2	176	-22.1	34.6	0	0	0	111.9	Q20 F43 T148	Q20-P22 VanDerWaalsContact O-CD 3.29Å; Q20-P22 WeakPolarHBondContact O-CD 3.47Å; P22-F43 HydrophobicContact CG-CE2 4.15Å; P22-F43 HydrophobicContact CG-CZ 4.05Å; P22-T148 HydrophobicContact CB-CG2 4.38Å
23	G	86.3	Confident	93.2	Very high	37 Å²	37	52.2 Å²	52.2	38%	0.381	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-83.9	-150.4	169.9	0	0	0	0	0	111.9	S25 G26	G23-S25 VanDerWaalsContact C-N 3.26Å; G23-S25 PolarHBondContact O-N 2.95Å; G23-G26 PolarHBondContact N-O 3.39Å
24	T	79.5	Confident	93.1	Very high	53 Å²	53	47.3 Å²	47.3	33%	0.325	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-41.4	-178.1	-52	0	0	0	0	113.3	K367	T24-K367 WeakPolarHBondContact O-CE 3.19Å; T24-K367 PolarHBondContact O-NZ 2.79Å
25	S	84.5	Confident	93.1	Very high	20 Å²	20	51 Å²	51	14%	0.14	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-149.1	79.2	179.1	-174	0	0	0	0	109.5	G23 K134	G23-S25 VanDerWaalsContact C-N 3.26Å; G23-S25 PolarHBondContact O-N 2.95Å; S25-K134 WeakPolarHBondContact O-CG 3.37Å
26	G	91.6	Very high	93.1	Very high	10 Å²	10	48.4 Å²	48.4	10%	0.103	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	100.4	172.9	175.2	0	0	0	0	0	116.1	G23 I133	G23-G26 PolarHBondContact N-O 3.39Å; G26-I133 WeakPolarHBondContact CA-O 3.29Å
27	L	95.1	Very high	93.1	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	131.8	172.9	-178.1	65	0	0	0	108.9	G19 Q20 K29 Y34 Y39 F43 G132 I133	G19-L27 WeakPolarHBondContact O-CD1 3.35Å; Q20-L27 HydrophobicContact CB-CD2 4.49Å; Q20-L27 HydrophobicContact CG-CD2 4.37Å; L27-K29 HydrophobicContact CD1-CG 4.36Å; L27-K29 HydrophobicContact CG-CG 4.48Å; L27-Y34 HydrophobicContact CD2-CE1 4.37Å; L27-Y34 WeakPolarHBondContact CG-OH 3.33Å; L27-Y34 PolarHBondContact O-OH 2.68Å; L27-Y39 HydrophobicContact CD2-CE1 4.27Å; L27-F43 HydrophobicContact CB-CD1 4.28Å; L27-F43 HydrophobicContact CB-CE1 3.64Å; L27-F43 HydrophobicContact CB-CE2 4.13Å; L27-F43 HydrophobicContact CB-CZ 3.57Å; L27-F43 HydrophobicContact CD2-CB 4.42Å; L27-F43 HydrophobicContact CD2-CD1 3.94Å; L27-F43 HydrophobicContact CD2-CD2 3.85Å; L27-F43 HydrophobicContact CD2-CE1 4.13Å; L27-F43 HydrophobicContact CD2-CE2 4.05Å; L27-F43 HydrophobicContact CD2-CG 3.79Å; L27-F43 HydrophobicContact CD2-CZ 4.19Å; L27-F43 HydrophobicContact CG-CZ 4.49Å; L27-G132 CarbonylContact O-C 3.59Å; L27-G132 WeakPolarHBondContact O-CA 3.13Å; L27-I133 PolarHBondContact N-O 2.93Å; L27-I133 PolarHBondContact O-N 3.12Å
28	R	94.4	Very high	93.1	Very high	36 Å²	36	51 Å²	51	14%	0.136	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	129.3	176.2	-61.4	-179.4	-170.7	-174.5	1.1	109.5	A120 F131	R28-A120 HydrophobicContact CG-CB 4.08Å; R28-A120 PolarHBondContact NH1-O 2.86Å; R28-F131 WeakPolarHBondContact CA-O 3.25Å
29	K	94.9	Very high	93.4	Very high	58 Å²	58	42.1 Å²	42.1	25%	0.252	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	162.1	179.3	-63.5	-65.1	172.4	-173.8	0	110.3	G19 L27 T33 Y34 F131	G19-K29 WeakPolarHBondContact O-CE 3.43Å; G19-K29 PolarHBondContact O-NZ 2.89Å; L27-K29 HydrophobicContact CD1-CG 4.36Å; L27-K29 HydrophobicContact CG-CG 4.48Å; K29-T33 HydrophobicContact CB-CG2 4.07Å; K29-T33 HydrophobicContact CG-CG2 4.15Å; K29-Y34 HydrophobicContact CB-CD2 4.06Å; K29-Y34 HydrophobicContact CB-CE2 3.63Å; K29-Y34 HydrophobicContact CG-CE2 4.37Å; K29-F131 PolarHBondContact N-O 3.45Å; K29-F131 VanDerWaalsContact N-O 3.09Å; K29-F131 PolarHBondContact O-N 3.2Å; K29-F131 VanDerWaalsContact O-O 3.05Å
30	P	95.4	Very high	94	Very high	33 Å²	33	40.5 Å²	40.5	21%	0.214	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	147.4	169.5	-23.5	36	0	0	0	110.8	A32 T33 G129	P30-A32 PolarHBondContact O-N 3.47Å; P30-A32 VanDerWaalsContact O-N 3.14Å; P30-T33 WeakPolarHBondContact O-CB 3.4Å; P30-T33 PolarHBondContact O-N 3.45Å; P30-G129 WeakPolarHBondContact CA-O 3.39Å
31	V	97.8	Very high	94.3	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-49.4	-42.2	176.7	162.3	0	0	0	0	111.8	T33 Y34 M35 Y69 G126 G129 F131	V31-T33 PolarHBondContact O-N 2.91Å; V31-T33 VanDerWaalsContact O-N 3.15Å; V31-Y34 PolarHBondContact O-N 2.71Å; V31-M35 HydrophobicContact CG1-CG 4.25Å; V31-M35 HydrophobicContact CG1-SD 3.87Å; V31-M35 WeakPolarHBondContact O-CG 3.38Å; V31-M35 PolarHBondContact O-N 3.2Å; V31-M35 VanDerWaalsContact O-N 3.14Å; V31-Y69 HydrophobicContact CB-CD1 4.47Å; V31-Y69 HydrophobicContact CG1-CD1 3.63Å; V31-Y69 HydrophobicContact CG1-CE1 3.55Å; V31-Y69 HydrophobicContact CG2-CD1 4.01Å; V31-G126 WeakPolarHBondContact CG2-O 3.5Å; V31-G129 PolarHBondContact N-O 3.12Å; V31-F131 HydrophobicContact CG2-CB 4.07Å
32	A	96.7	Very high	94.6	Very high	70 Å²	70	35.2 Å²	35.2	58%	0.579	21%	0.211	S	C	*	.	H	α-helix	trans	-56.8	-30.8	179	0	0	0	0	0	113.5	P30	P30-A32 PolarHBondContact O-N 3.47Å; P30-A32 VanDerWaalsContact O-N 3.14Å
33	T	96.8	Very high	95	Very high	30 Å²	30	34.4 Å²	34.4	18%	0.184	21%	0.206	C	C	.	.	H	α-helix	trans	-69.5	-44.8	176.1	-54.1	0	0	0	0	111.4	K29 P30 V31 M35 Q36 Y39	K29-T33 HydrophobicContact CB-CG2 4.07Å; K29-T33 HydrophobicContact CG-CG2 4.15Å; P30-T33 WeakPolarHBondContact O-CB 3.4Å; P30-T33 PolarHBondContact O-N 3.45Å; V31-T33 PolarHBondContact O-N 2.91Å; V31-T33 VanDerWaalsContact O-N 3.15Å; T33-M35 PolarHBondContact O-N 3.47Å; T33-Q36 WeakPolarHBondContact O-CB 3.18Å; T33-Q36 WeakPolarHBondContact O-CG 3.3Å; T33-Q36 PolarHBondContact O-N 3.39Å; T33-Y39 HydrophobicContact CG2-CD1 4.4Å; T33-Y39 HydrophobicContact CG2-CD2 4.32Å; T33-Y39 HydrophobicContact CG2-CE1 3.89Å; T33-Y39 HydrophobicContact CG2-CE2 3.81Å
34	Y	97.8	Very high	95.5	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-67.2	-25	178.8	-76.2	-83.7	0	0	0	113.5	L27 K29 V31 Q36 Y39 T40 L70 F131 I133	L27-Y34 HydrophobicContact CD2-CE1 4.37Å; L27-Y34 WeakPolarHBondContact CG-OH 3.33Å; L27-Y34 PolarHBondContact O-OH 2.68Å; K29-Y34 HydrophobicContact CB-CD2 4.06Å; K29-Y34 HydrophobicContact CB-CE2 3.63Å; K29-Y34 HydrophobicContact CG-CE2 4.37Å; V31-Y34 PolarHBondContact O-N 2.71Å; Y34-Q36 VanDerWaalsContact C-N 3.26Å; Y34-Q36 PolarHBondContact O-N 2.78Å; Y34-Y39 HydrophobicContact CD1-CD1 4.12Å; Y34-Y39 HydrophobicContact CD1-CE1 4.13Å; Y34-Y39 HydrophobicContact CE1-CE1 4.22Å; Y34-T40 HydrophobicContact CD1-CG2 4.42Å; Y34-T40 WeakPolarHBondContact CD1-OG1 3.39Å; Y34-T40 PolarHBondContact O-OG1 3.4Å; Y34-L70 HydrophobicContact CG-CD2 4.47Å; Y34-F131 HydrophobicContact CD1-CD1 4.14Å; Y34-F131 HydrophobicContact CD2-CB 3.66Å; Y34-F131 AromaticContact CD2-CD1 4Å; Y34-F131 HydrophobicContact CD2-CD1 4Å; Y34-F131 HydrophobicContact CD2-CG 4.29Å; Y34-F131 HydrophobicContact CE1-CD1 4.22Å; Y34-F131 HydrophobicContact CE2-CB 3.82Å; Y34-F131 HydrophobicContact CE2-CD1 4.03Å; Y34-F131 HydrophobicContact CE2-CG 4.43Å; Y34-F131 WeakPolarHBondContact CE2-O 3.21Å; Y34-F131 HydrophobicContact CG-CB 4.39Å; Y34-F131 HydrophobicContact CG-CD1 4.03Å; Y34-I133 HydrophobicContact CD1-CD1 4.34Å; Y34-I133 HydrophobicContact CE1-CD1 3.76Å; Y34-I133 HydrophobicContact CE1-CG1 3.97Å
35	M	97.1	Very high	96.5	Very high	103 Å²	103	30.2 Å²	30.2	51%	0.507	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-10.2	177	-69	-177.3	72.1	0	0	114	V31 T33 L70	V31-M35 HydrophobicContact CG1-CG 4.25Å; V31-M35 HydrophobicContact CG1-SD 3.87Å; V31-M35 WeakPolarHBondContact O-CG 3.38Å; V31-M35 PolarHBondContact O-N 3.2Å; V31-M35 VanDerWaalsContact O-N 3.14Å; T33-M35 PolarHBondContact O-N 3.47Å; M35-L70 HydrophobicContact CG-CD1 4.05Å; M35-L70 HydrophobicContact CG-CD2 4.44Å
36	Q	97.5	Very high	97.1	Very high	89 Å²	89	29.3 Å²	29.3	42%	0.416	17%	0.166	S	C	.	.	S	Bend	trans	-61.7	137.1	173.6	-66.7	178.4	45.7	0	0	110.2	T33 Y34 N38 Y39	T33-Q36 WeakPolarHBondContact O-CB 3.18Å; T33-Q36 WeakPolarHBondContact O-CG 3.3Å; T33-Q36 PolarHBondContact O-N 3.39Å; Y34-Q36 VanDerWaalsContact C-N 3.26Å; Y34-Q36 PolarHBondContact O-N 2.78Å; Q36-N38 PolarHBondContact O-N 2.73Å; Q36-Y39 WeakPolarHBondContact O-CB 3.37Å; Q36-Y39 PolarHBondContact O-N 3.28Å
37	P	97.6	Very high	97.5	Very high	105 Å²	105	28.8 Å²	28.8	68%	0.682	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	132.1	177.6	-26.8	34.5	0	0	0	111.6	F17 Y39	F17-P37 WeakPolarHBondContact CZ-O 3.21Å; P37-Y39 PolarHBondContact O-N 3.21Å; P37-Y39 VanDerWaalsContact O-N 3.14Å
38	N	98.3	Very high	97.7	Very high	45 Å²	45	28.7 Å²	28.7	24%	0.241	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	-11.3	179.9	-48.7	-54.9	0	0	0	117.2	T14 F17 Q36 T40 E41 N42 Y161	T14-N38 VanDerWaalsContact OG1-CB 3.31Å; T14-N38 WeakPolarHBondContact OG1-CB 3.41Å; F17-N38 HydrophobicContact CE2-CB 4.18Å; F17-N38 HydrophobicContact CZ-CB 4.22Å; Q36-N38 PolarHBondContact O-N 2.73Å; N38-T40 PolarHBondContact O-N 3.43Å; N38-E41 WeakPolarHBondContact CA-OE2 3.34Å; N38-E41 PolarHBondContact O-N 2.94Å; N38-N42 WeakPolarHBondContact O-CB 3.36Å; N38-N42 PolarHBondContact O-N 2.92Å; N38-N42 PolarHBondContact O-ND2 3.4Å; N38-Y161 HydrophobicContact CB-CE1 3.98Å; N38-Y161 WeakPolarHBondContact OD1-CE1 3.45Å; N38-Y161 PolarHBondContact OD1-OH 2.92Å
39	Y	98.3	Very high	97.8	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-60.5	-49.5	-174.3	-177.6	-85.9	0	0	0	112.1	F17 Q20 L27 T33 Y34 Q36 P37 F43	F17-Y39 HydrophobicContact CB-CD2 3.7Å; F17-Y39 HydrophobicContact CB-CE2 3.77Å; F17-Y39 AromaticContact CD1-CD2 3.65Å; F17-Y39 HydrophobicContact CD1-CD2 3.65Å; F17-Y39 HydrophobicContact CD1-CE2 4.42Å; F17-Y39 HydrophobicContact CD2-CD2 4.25Å; F17-Y39 HydrophobicContact CE1-CD2 4.3Å; F17-Y39 AromaticContact CG-CD2 3.61Å; F17-Y39 HydrophobicContact CG-CD2 3.61Å; F17-Y39 HydrophobicContact CG-CE2 4.21Å; Q20-Y39 HydrophobicContact CG-CE2 3.96Å; Q20-Y39 PolarHBondContact NE2-O 3.07Å; L27-Y39 HydrophobicContact CD2-CE1 4.27Å; T33-Y39 HydrophobicContact CG2-CD1 4.4Å; T33-Y39 HydrophobicContact CG2-CD2 4.32Å; T33-Y39 HydrophobicContact CG2-CE1 3.89Å; T33-Y39 HydrophobicContact CG2-CE2 3.81Å; Y34-Y39 HydrophobicContact CD1-CD1 4.12Å; Y34-Y39 HydrophobicContact CD1-CE1 4.13Å; Y34-Y39 HydrophobicContact CE1-CE1 4.22Å; Q36-Y39 WeakPolarHBondContact O-CB 3.37Å; Q36-Y39 PolarHBondContact O-N 3.28Å; P37-Y39 PolarHBondContact O-N 3.21Å; P37-Y39 VanDerWaalsContact O-N 3.14Å; Y39-F43 PolarHBondContact O-N 3.27Å
40	T	98.6	Very high	98	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-68.3	-44.1	-178	-61.1	0	0	0	0	111.2	Y34 N38 N42 F43 I44 V74 K77 I133	Y34-T40 HydrophobicContact CD1-CG2 4.42Å; Y34-T40 WeakPolarHBondContact CD1-OG1 3.39Å; Y34-T40 PolarHBondContact O-OG1 3.4Å; N38-T40 PolarHBondContact O-N 3.43Å; T40-N42 VanDerWaalsContact C-N 3.31Å; T40-N42 PolarHBondContact O-N 3.36Å; T40-F43 PolarHBondContact O-N 3.24Å; T40-I44 HydrophobicContact CG2-CD1 3.81Å; T40-I44 HydrophobicContact CG2-CG1 4.46Å; T40-I44 WeakPolarHBondContact O-CG1 3.37Å; T40-I44 PolarHBondContact O-N 2.71Å; T40-V74 HydrophobicContact CG2-CG1 3.86Å; T40-V74 HydrophobicContact CG2-CG2 4.01Å; T40-K77 HydrophobicContact CG2-CD 3.96Å; T40-I133 HydrophobicContact CG2-CD1 4.07Å
41	E	98.7	Very high	98	Very high	21 Å²	21	26.4 Å²	26.4	10%	0.098	16%	0.158	C	C	.	.	H	α-helix	trans	-60.6	-40.7	-179.7	-66	85.2	166.3	0	0	111.6	N38 F43 I44 Q45 K77 I81 Y161	N38-E41 WeakPolarHBondContact CA-OE2 3.34Å; N38-E41 PolarHBondContact O-N 2.94Å; E41-F43 VanDerWaalsContact C-N 3.35Å; E41-F43 PolarHBondContact O-N 3.49Å; E41-I44 PolarHBondContact O-N 3.14Å; E41-Q45 WeakPolarHBondContact O-CB 3.44Å; E41-Q45 PolarHBondContact O-N 2.81Å; E41-K77 HydrophobicContact CG-CD 4.12Å; E41-K77 HydrophobicContact CG-CG 4.41Å; E41-K77 WeakPolarHBondContact OE1-CD 3.36Å; E41-K77 WeakPolarHBondContact OE1-CE 3.42Å; E41-K77 IonicContact OE1-NZ 3.73Å; E41-K77 PolarHBondContact OE1-NZ 3.25Å; E41-K77 IonicContact OE2-NZ 3.76Å; E41-K77 PolarHBondContact OE2-NZ 3.36Å; E41-K77 VanDerWaalsContact OE2-NZ 3.15Å; E41-I81 HydrophobicContact CB-CD1 3.8Å; E41-I81 HydrophobicContact CG-CD1 3.97Å; E41-Y161 HydrophobicContact CB-CD1 4.09Å; E41-Y161 HydrophobicContact CB-CD2 4.02Å; E41-Y161 HydrophobicContact CB-CE1 3.84Å; E41-Y161 HydrophobicContact CB-CE2 3.76Å; E41-Y161 HydrophobicContact CB-CG 4.17Å; E41-Y161 HydrophobicContact CG-CE2 3.95Å
42	N	98.5	Very high	98.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.5	-49.1	174.8	-89.4	-141.2	0	0	0	111.6	T14 K15 F17 N38 T40 Q45 C46 I158	T14-N42 WeakPolarHBondContact CB-ND2 3.47Å; T14-N42 WeakPolarHBondContact CG2-ND2 2.91Å; T14-N42 WeakPolarHBondContact CG2-OD1 3.25Å; T14-N42 PolarHBondContact OG1-ND2 3.21Å; K15-N42 PolarHBondContact O-OD1 3.06Å; K15-N42 VanDerWaalsContact O-OD1 3.09Å; F17-N42 HydrophobicContact CD2-CB 4.41Å; N38-N42 WeakPolarHBondContact O-CB 3.36Å; N38-N42 PolarHBondContact O-N 2.92Å; N38-N42 PolarHBondContact O-ND2 3.4Å; T40-N42 VanDerWaalsContact C-N 3.31Å; T40-N42 PolarHBondContact O-N 3.36Å; N42-Q45 PolarHBondContact O-N 3.39Å; N42-C46 PolarHBondContact O-N 3.18Å; N42-C46 PolarHBondContact O-SG 3.16Å; N42-I158 HydrophobicContact CB-CD1 4.29Å; N42-I158 WeakPolarHBondContact OD1-CG2 3.2Å
43	F	98.7	Very high	98	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.018	15%	0.146	C	C	.	.	H	α-helix	trans	-68.3	-39.6	-177.2	-168.6	-111.8	0	0	0	111.8	Q20 P22 L27 Y39 T40 E41 C46 I47 I133 I151	Q20-F43 HydrophobicContact CB-CD2 4.33Å; P22-F43 HydrophobicContact CG-CE2 4.15Å; P22-F43 HydrophobicContact CG-CZ 4.05Å; L27-F43 HydrophobicContact CB-CD1 4.28Å; L27-F43 HydrophobicContact CB-CE1 3.64Å; L27-F43 HydrophobicContact CB-CE2 4.13Å; L27-F43 HydrophobicContact CB-CZ 3.57Å; L27-F43 HydrophobicContact CD2-CB 4.42Å; L27-F43 HydrophobicContact CD2-CD1 3.94Å; L27-F43 HydrophobicContact CD2-CD2 3.85Å; L27-F43 HydrophobicContact CD2-CE1 4.13Å; L27-F43 HydrophobicContact CD2-CE2 4.05Å; L27-F43 HydrophobicContact CD2-CG 3.79Å; L27-F43 HydrophobicContact CD2-CZ 4.19Å; L27-F43 HydrophobicContact CG-CZ 4.49Å; Y39-F43 PolarHBondContact O-N 3.27Å; T40-F43 PolarHBondContact O-N 3.24Å; E41-F43 VanDerWaalsContact C-N 3.35Å; E41-F43 PolarHBondContact O-N 3.49Å; F43-C46 PolarHBondContact O-N 3.13Å; F43-I47 HydrophobicContact CD1-CD1 3.88Å; F43-I47 HydrophobicContact CE1-CD1 3.67Å; F43-I47 HydrophobicContact CE1-CG1 4.27Å; F43-I47 HydrophobicContact CZ-CD1 4.36Å; F43-I47 WeakPolarHBondContact O-CG1 2.97Å; F43-I47 PolarHBondContact O-N 2.87Å; F43-I133 HydrophobicContact CD1-CB 4.08Å; F43-I133 HydrophobicContact CD1-CD1 4.27Å; F43-I133 HydrophobicContact CD1-CG2 4.11Å; F43-I133 HydrophobicContact CE1-CB 3.96Å; F43-I133 HydrophobicContact CE1-CG2 4Å; F43-I151 HydrophobicContact CD2-CG2 4.32Å; F43-I151 HydrophobicContact CE2-CG2 3.68Å; F43-I151 HydrophobicContact CZ-CG2 4.17Å
44	I	98.8	Very high	98	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-46.4	173.9	-63.9	164.9	0	0	0	110.3	T40 E41 C46 I47 M48 V74 K77 I78 I81 I133	T40-I44 HydrophobicContact CG2-CD1 3.81Å; T40-I44 HydrophobicContact CG2-CG1 4.46Å; T40-I44 WeakPolarHBondContact O-CG1 3.37Å; T40-I44 PolarHBondContact O-N 2.71Å; E41-I44 PolarHBondContact O-N 3.14Å; I44-C46 VanDerWaalsContact C-N 3.31Å; I44-C46 PolarHBondContact O-N 3.44Å; I44-I47 WeakPolarHBondContact O-CB 3.39Å; I44-I47 PolarHBondContact O-N 2.97Å; I44-I47 VanDerWaalsContact O-N 3.12Å; I44-M48 HydrophobicContact CG2-CE 3.77Å; I44-M48 WeakPolarHBondContact O-CG 3.49Å; I44-M48 PolarHBondContact O-N 2.91Å; I44-V74 HydrophobicContact CD1-CG1 4.22Å; I44-K77 HydrophobicContact CD1-CB 3.87Å; I44-I78 HydrophobicContact CD1-CG1 3.67Å; I44-I78 HydrophobicContact CG1-CG1 4.13Å; I44-I78 HydrophobicContact CG2-CG1 4.32Å; I44-I81 HydrophobicContact CB-CD1 3.92Å; I44-I81 HydrophobicContact CD1-CD1 4.27Å; I44-I81 HydrophobicContact CG2-CB 3.97Å; I44-I81 HydrophobicContact CG2-CD1 3.9Å; I44-I81 HydrophobicContact CG2-CG2 3.8Å; I44-I133 HydrophobicContact CG1-CD1 4.49Å
45	Q	98.8	Very high	97.9	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.009	20%	0.204	C	C	.	.	H	α-helix	trans	-58.9	-42.7	176.7	-176.4	64.4	55.5	0	0	111.3	E41 N42 I47 M48 D49 N85 I158 H162	E41-Q45 WeakPolarHBondContact O-CB 3.44Å; E41-Q45 PolarHBondContact O-N 2.81Å; N42-Q45 PolarHBondContact O-N 3.39Å; Q45-I47 VanDerWaalsContact C-N 3.33Å; Q45-I47 PolarHBondContact O-N 3.35Å; Q45-M48 WeakPolarHBondContact O-CB 3.24Å; Q45-M48 PolarHBondContact O-N 3.16Å; Q45-M48 VanDerWaalsContact O-N 3.1Å; Q45-D49 VanDerWaalsContact NE2-CG 3.29Å; Q45-D49 PolarHBondContact NE2-OD1 3.16Å; Q45-D49 PolarHBondContact NE2-OD2 3.11Å; Q45-D49 PolarHBondContact O-N 2.75Å; Q45-N85 PolarHBondContact NE2-ND2 2.87Å; Q45-N85 PolarHBondContact NE2-OD1 2.86Å; Q45-N85 PolarHBondContact OE1-ND2 2.94Å; Q45-I158 HydrophobicContact CB-CD1 4Å; Q45-I158 HydrophobicContact CG-CD1 3.94Å; Q45-H162 VanDerWaalsContact OE1-N 3.16Å
46	C	98.7	Very high	98	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.6	-37.6	175.3	-65.5	0	0	0	0	112.5	N42 F43 I44 M48 D49 A50 I151 M154 S155	N42-C46 PolarHBondContact O-N 3.18Å; N42-C46 PolarHBondContact O-SG 3.16Å; F43-C46 PolarHBondContact O-N 3.13Å; I44-C46 VanDerWaalsContact C-N 3.31Å; I44-C46 PolarHBondContact O-N 3.44Å; C46-M48 VanDerWaalsContact C-N 3.34Å; C46-D49 PolarHBondContact O-N 3.29Å; C46-A50 VanDerWaalsContact O-CB 3.3Å; C46-A50 WeakPolarHBondContact O-CB 3.29Å; C46-A50 PolarHBondContact O-N 3.31Å; C46-I151 HydrophobicContact CB-CG2 4Å; C46-M154 HydrophobicContact CB-CB 4.15Å; C46-M154 HydrophobicContact CB-CG 4.24Å; C46-S155 VanDerWaalsContact SG-CA 3.52Å; C46-S155 PolarHBondContact SG-N 3.33Å; C46-S155 VanDerWaalsContact SG-N 3.44Å
47	I	98.7	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-62.1	-43.2	172.2	-70.8	167.1	0	0	0	110.6	F43 I44 Q45 G51 L52 I116 I133 F135 I151	F43-I47 HydrophobicContact CD1-CD1 3.88Å; F43-I47 HydrophobicContact CE1-CD1 3.67Å; F43-I47 HydrophobicContact CE1-CG1 4.27Å; F43-I47 HydrophobicContact CZ-CD1 4.36Å; F43-I47 WeakPolarHBondContact O-CG1 2.97Å; F43-I47 PolarHBondContact O-N 2.87Å; I44-I47 WeakPolarHBondContact O-CB 3.39Å; I44-I47 PolarHBondContact O-N 2.97Å; I44-I47 VanDerWaalsContact O-N 3.12Å; Q45-I47 VanDerWaalsContact C-N 3.33Å; Q45-I47 PolarHBondContact O-N 3.35Å; I47-G51 CarbonylContact O-C 3.58Å; I47-G51 WeakPolarHBondContact O-CA 3.43Å; I47-G51 PolarHBondContact O-N 3.35Å; I47-L52 PolarHBondContact O-N 3.39Å; I47-I116 HydrophobicContact CG2-CD1 3.99Å; I47-I116 HydrophobicContact CG2-CG1 4.06Å; I47-I133 HydrophobicContact CD1-CG2 3.78Å; I47-F135 HydrophobicContact CD1-CB 4.44Å; I47-F135 HydrophobicContact CG1-CB 4.43Å; I47-F135 HydrophobicContact CG2-CB 4.42Å; I47-F135 HydrophobicContact CG2-CD2 3.41Å; I47-F135 VanDerWaalsContact CG2-CD2 3.41Å; I47-F135 HydrophobicContact CG2-CE2 3.79Å; I47-F135 HydrophobicContact CG2-CG 3.95Å; I47-I151 HydrophobicContact CG1-CD1 4.28Å; I47-I151 HydrophobicContact CG1-CG2 4.39Å
48	M	98.6	Very high	98	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.	I	π-helix	trans	-61.9	-49.8	177.4	-58.4	-57	168.2	0	0	110.8	I44 Q45 C46 L52 G53 K56 I61 I81 A82 N85 V87 I116	I44-M48 HydrophobicContact CG2-CE 3.77Å; I44-M48 WeakPolarHBondContact O-CG 3.49Å; I44-M48 PolarHBondContact O-N 2.91Å; Q45-M48 WeakPolarHBondContact O-CB 3.24Å; Q45-M48 PolarHBondContact O-N 3.16Å; Q45-M48 VanDerWaalsContact O-N 3.1Å; C46-M48 VanDerWaalsContact C-N 3.34Å; M48-L52 WeakPolarHBondContact O-CB 3.42Å; M48-L52 HydrophobicContact SD-CD1 3.82Å; M48-G53 PolarHBondContact O-N 3.36Å; M48-K56 HydrophobicContact CB-CD 3.76Å; M48-K56 HydrophobicContact CB-CG 4.21Å; M48-K56 WeakPolarHBondContact O-CD 3.37Å; M48-I61 HydrophobicContact CE-CD1 4.49Å; M48-I81 HydrophobicContact CG-CG2 4.15Å; M48-A82 HydrophobicContact CE-CB 3.81Å; M48-N85 HydrophobicContact CB-CB 4.41Å; M48-N85 HydrophobicContact CG-CB 4.45Å; M48-V87 HydrophobicContact SD-CG2 4Å; M48-I116 HydrophobicContact CE-CD1 3.7Å
49	D	98.3	Very high	98	Very high	48 Å²	48	34.5 Å²	34.5	26%	0.257	19%	0.187	S	C	.	.	I	π-helix	trans	-77.2	-33.1	-172.1	-65.3	-33.2	0	0	0	114.5	Q45 C46 G53 K56 M154	Q45-D49 VanDerWaalsContact NE2-CG 3.29Å; Q45-D49 PolarHBondContact NE2-OD1 3.16Å; Q45-D49 PolarHBondContact NE2-OD2 3.11Å; Q45-D49 PolarHBondContact O-N 2.75Å; C46-D49 PolarHBondContact O-N 3.29Å; D49-G53 WeakPolarHBondContact O-CA 3.24Å; D49-K56 IonicContact OD1-NZ 2.83Å; D49-K56 PolarHBondContact OD1-NZ 3.24Å; D49-M154 HydrophobicContact CB-CE 3.74Å
50	A	97.4	Very high	98.1	Very high	16 Å²	16	37.3 Å²	37.3	13%	0.132	20%	0.199	C	C	.	.	I	π-helix	trans	-113.3	-31.3	-174.8	0	0	0	0	0	113.5	C46 K150 I151 M154	C46-A50 VanDerWaalsContact O-CB 3.3Å; C46-A50 WeakPolarHBondContact O-CB 3.29Å; C46-A50 PolarHBondContact O-N 3.31Å; A50-K150 HydrophobicContact CB-CB 4.02Å; A50-I151 HydrophobicContact CB-CB 4.48Å; A50-I151 HydrophobicContact CB-CG1 3.92Å; A50-M154 HydrophobicContact CB-CB 4.34Å
51	G	97.1	Very high	98.1	Very high	15 Å²	15	37.4 Å²	37.4	16%	0.155	20%	0.2	C	C	.	.	I	π-helix	trans	-75.1	-56.8	176.6	0	0	0	0	0	111.9	I47 F135	I47-G51 CarbonylContact O-C 3.58Å; I47-G51 WeakPolarHBondContact O-CA 3.43Å; I47-G51 PolarHBondContact O-N 3.35Å; G51-F135 VanDerWaalsContact C-CZ 3.45Å; G51-F135 VanDerWaalsContact CA-CE1 3.45Å
52	L	98.3	Very high	98.1	Very high	11 Å²	11	36.4 Å²	36.4	6%	0.058	20%	0.195	C	C	.	.	I	π-helix	trans	-77.4	-31.7	173.2	-61.3	173.6	0	0	0	111.9	I47 M48 E54 K55 K56 A59 I61 V87 D113 F135	I47-L52 PolarHBondContact O-N 3.39Å; M48-L52 WeakPolarHBondContact O-CB 3.42Å; M48-L52 HydrophobicContact SD-CD1 3.82Å; L52-E54 PolarHBondContact O-N 3.01Å; L52-K55 WeakPolarHBondContact O-CB 3.25Å; L52-K55 PolarHBondContact O-N 3.31Å; L52-K55 VanDerWaalsContact O-N 3.08Å; L52-K56 HydrophobicContact CB-CB 4.07Å; L52-A59 HydrophobicContact CD1-CB 4.03Å; L52-A59 HydrophobicContact CD2-CB 4.38Å; L52-I61 HydrophobicContact CD1-CG2 3.89Å; L52-I61 HydrophobicContact CD2-CG2 3.69Å; L52-I61 HydrophobicContact CG-CG2 4.42Å; L52-V87 HydrophobicContact CD1-CG2 4.24Å; L52-D113 HydrophobicContact CD2-CB 4.46Å; L52-F135 HydrophobicContact CD2-CE2 4.13Å; L52-F135 HydrophobicContact CD2-CZ 4.09Å; L52-F135 HydrophobicContact CG-CE2 4.45Å; L52-F135 HydrophobicContact CG-CZ 4.47Å
53	G	96.2	Very high	98.1	Very high	28 Å²	28	36.4 Å²	36.4	29%	0.289	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	57.9	-128.6	176.4	0	0	0	0	0	112	M48 D49 K55 K56	M48-G53 PolarHBondContact O-N 3.36Å; D49-G53 WeakPolarHBondContact O-CA 3.24Å; G53-K55 PolarHBondContact O-N 2.81Å; G53-K56 WeakPolarHBondContact O-CB 3.26Å; G53-K56 PolarHBondContact O-N 2.6Å; G53-K56 VanDerWaalsContact O-N 3.09Å
54	E	95.4	Very high	98.1	Very high	202 Å²	202	36.2 Å²	36.2	94%	0.944	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-62.6	-25.4	-179.9	-63.6	-179.9	173.8	0	0	113.2	L52 K56	L52-E54 PolarHBondContact O-N 3.01Å; E54-K56 VanDerWaalsContact C-N 3.25Å; E54-K56 PolarHBondContact O-N 2.77Å
55	K	96.6	Very high	98.1	Very high	107 Å²	107	36.3 Å²	36.3	47%	0.465	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-76	-11.9	178	-60.9	-174.8	172.5	-167.7	0	113.4	L52 G53 K57 A59 D113	L52-K55 WeakPolarHBondContact O-CB 3.25Å; L52-K55 PolarHBondContact O-N 3.31Å; L52-K55 VanDerWaalsContact O-N 3.08Å; G53-K55 PolarHBondContact O-N 2.81Å; K55-K57 VanDerWaalsContact C-N 3.29Å; K55-K57 PolarHBondContact O-N 3Å; K55-K57 VanDerWaalsContact O-N 3.16Å; K55-A59 WeakPolarHBondContact O-CA 3.29Å; K55-A59 VanDerWaalsContact O-CB 3.25Å; K55-A59 WeakPolarHBondContact O-CB 3.1Å; K55-A59 PolarHBondContact O-N 3Å; K55-D113 HydrophobicContact CD-CB 4.24Å; K55-D113 WeakPolarHBondContact CD-OD1 3.4Å; K55-D113 IonicContact NZ-OD1 2.63Å; K55-D113 PolarHBondContact NZ-OD1 3.25Å
56	K	98.1	Very high	98.1	Very high	38 Å²	38	36.2 Å²	36.2	17%	0.165	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-48.5	-173.1	-178.3	-179.4	74.6	164.9	0	113.1	M48 D49 L52 G53 E54 G58 A59 N85	M48-K56 HydrophobicContact CB-CD 3.76Å; M48-K56 HydrophobicContact CB-CG 4.21Å; M48-K56 WeakPolarHBondContact O-CD 3.37Å; D49-K56 IonicContact OD1-NZ 2.83Å; D49-K56 PolarHBondContact OD1-NZ 3.24Å; L52-K56 HydrophobicContact CB-CB 4.07Å; G53-K56 WeakPolarHBondContact O-CB 3.26Å; G53-K56 PolarHBondContact O-N 2.6Å; G53-K56 VanDerWaalsContact O-N 3.09Å; E54-K56 VanDerWaalsContact C-N 3.25Å; E54-K56 PolarHBondContact O-N 2.77Å; K56-G58 PolarHBondContact O-N 3.34Å; K56-A59 PolarHBondContact O-N 3.26Å; K56-N85 HydrophobicContact CD-CB 3.97Å; K56-N85 HydrophobicContact CG-CB 4.28Å; K56-N85 PolarHBondContact NZ-OD1 3.32Å
57	K	98.1	Very high	98.1	Very high	172 Å²	172	37 Å²	37	75%	0.748	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	117.2	177.1	-70.9	-170.7	178	-175.4	0	110	K55 A59 G86	K55-K57 VanDerWaalsContact C-N 3.29Å; K55-K57 PolarHBondContact O-N 3Å; K55-K57 VanDerWaalsContact O-N 3.16Å; K57-A59 VanDerWaalsContact C-N 3.3Å; K57-G86 CarbonylContact C-O 3.57Å; K57-G86 WeakPolarHBondContact CA-O 3.12Å
58	G	98.3	Very high	98.1	Very high	55 Å²	55	37.1 Å²	37.1	57%	0.567	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.4	0.2	-177.3	0	0	0	0	0	114.4	K56 G86	K56-G58 PolarHBondContact O-N 3.34Å; G58-G86 PolarHBondContact N-O 3.48Å
59	A	98.8	Very high	98.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.218	C	C	.	.			trans	-52.4	141.9	179.2	0	0	0	0	0	111.8	L52 K55 K56 K57 I61 V87 G88 H89 D113	L52-A59 HydrophobicContact CD1-CB 4.03Å; L52-A59 HydrophobicContact CD2-CB 4.38Å; K55-A59 WeakPolarHBondContact O-CA 3.29Å; K55-A59 VanDerWaalsContact O-CB 3.25Å; K55-A59 WeakPolarHBondContact O-CB 3.1Å; K55-A59 PolarHBondContact O-N 3Å; K56-A59 PolarHBondContact O-N 3.26Å; K57-A59 VanDerWaalsContact C-N 3.3Å; A59-I61 HydrophobicContact CB-CG2 4.16Å; A59-V87 WeakPolarHBondContact O-CG1 3.32Å; A59-G88 PolarHBondContact O-N 3.25Å; A59-H89 PolarHBondContact O-N 2.91Å; A59-D113 HydrophobicContact CB-CB 4.39Å
60	K	98.9	Very high	98	Very high	64 Å²	64	39.1 Å²	39.1	28%	0.278	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.5	161.2	-178.9	-171.8	-58.9	-177.4	0	108.6	H89 L91 F110 A112 D113	K60-H89 CarbonylContact C-O 3.49Å; K60-H89 VanDerWaalsContact CA-O 3.3Å; K60-H89 WeakPolarHBondContact CA-O 3.32Å; K60-H89 HydrophobicContact CB-CB 4.15Å; K60-H89 HydrophobicContact CG-CB 3.99Å; K60-L91 HydrophobicContact CD-CD1 3.83Å; K60-L91 HydrophobicContact CG-CD1 4.1Å; K60-F110 WeakPolarHBondContact CD-O 3.42Å; K60-F110 PolarHBondContact NZ-O 2.81Å; K60-A112 HydrophobicContact CD-CB 4.34Å; K60-A112 HydrophobicContact CG-CB 4.22Å; K60-A112 CarbonylContact O-C 3.5Å; K60-A112 WeakPolarHBondContact O-CA 3.27Å; K60-A112 WeakPolarHBondContact O-CB 3.44Å; K60-D113 PolarHBondContact N-OD2 3.5Å; K60-D113 PolarHBondContact O-N 2.87Å
61	I	98.9	Very high	98.1	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	151.9	177.5	66.3	174.9	0	0	0	111.8	M48 L52 A59 V63 V87 H89 I90 L91 G114	M48-I61 HydrophobicContact CE-CD1 4.49Å; L52-I61 HydrophobicContact CD1-CG2 3.89Å; L52-I61 HydrophobicContact CD2-CG2 3.69Å; L52-I61 HydrophobicContact CG-CG2 4.42Å; A59-I61 HydrophobicContact CB-CG2 4.16Å; I61-V63 HydrophobicContact CD1-CG2 4.04Å; I61-V63 HydrophobicContact CG1-CG2 4.23Å; I61-V87 HydrophobicContact CD1-CG1 4.07Å; I61-V87 HydrophobicContact CG1-CG1 3.96Å; I61-H89 PolarHBondContact N-O 2.81Å; I61-I90 HydrophobicContact CD1-CG1 4.12Å; I61-I90 HydrophobicContact CG1-CG1 3.83Å; I61-I90 CarbonylContact O-C 3.5Å; I61-I90 WeakPolarHBondContact O-CA 3.46Å; I61-L91 PolarHBondContact O-N 2.92Å; I61-G114 VanDerWaalsContact CA-O 3.29Å; I61-G114 WeakPolarHBondContact CA-O 3.44Å
62	V	98.9	Very high	98.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	140.3	167.4	-172.6	0	0	0	0	109.2	L91 M98 V103 A106 I107 A112 G114 A115 I116	V62-L91 CarbonylContact C-O 3.48Å; V62-L91 VanDerWaalsContact CA-O 3.28Å; V62-L91 WeakPolarHBondContact CA-O 3.48Å; V62-L91 HydrophobicContact CG2-CB 4.3Å; V62-L91 HydrophobicContact CG2-CD1 4.47Å; V62-M98 HydrophobicContact CG1-CE 3.99Å; V62-M98 HydrophobicContact CG1-SD 3.93Å; V62-V103 HydrophobicContact CB-CG1 4.19Å; V62-V103 HydrophobicContact CG1-CG1 3.95Å; V62-A106 HydrophobicContact CG1-CB 4.13Å; V62-A106 HydrophobicContact CG2-CB 4.08Å; V62-I107 HydrophobicContact CB-CG1 4.22Å; V62-I107 HydrophobicContact CG2-CG1 3.8Å; V62-A112 HydrophobicContact CG2-CB 3.88Å; V62-G114 PolarHBondContact N-O 2.82Å; V62-A115 HydrophobicContact CB-CB 3.86Å; V62-A115 CarbonylContact O-C 3.46Å; V62-A115 WeakPolarHBondContact O-CA 3.47Å; V62-A115 WeakPolarHBondContact O-CB 3.46Å; V62-I116 PolarHBondContact O-N 3.43Å
63	V	98.9	Very high	98.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.9	174.5	-179.3	0	0	0	0	108.4	I61 L75 I78 I90 L91 I92 I116	I61-V63 HydrophobicContact CD1-CG2 4.04Å; I61-V63 HydrophobicContact CG1-CG2 4.23Å; V63-L75 HydrophobicContact CG1-CD2 3.41Å; V63-L75 VanDerWaalsContact CG1-CD2 3.41Å; V63-I78 HydrophobicContact CG1-CD1 4.14Å; V63-I78 HydrophobicContact CG1-CG2 4.16Å; V63-I78 HydrophobicContact CG2-CG2 3.92Å; V63-I90 HydrophobicContact CB-CG2 4.04Å; V63-I90 HydrophobicContact CG2-CG2 3.73Å; V63-L91 PolarHBondContact N-O 3.09Å; V63-I92 HydrophobicContact CG1-CD1 4.49Å; V63-I92 WeakPolarHBondContact O-CA 3.49Å; V63-I92 VanDerWaalsContact O-CG1 3.28Å; V63-I92 WeakPolarHBondContact O-CG1 3.32Å; V63-I116 WeakPolarHBondContact CA-O 3.39Å
64	G	98.7	Very high	98.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-180	178.5	177.4	0	0	0	0	0	111.2	G96 I116 I117 L118	G64-G96 CarbonylContact C-O 3.5Å; G64-G96 WeakPolarHBondContact CA-O 3.46Å; G64-I116 PolarHBondContact N-O 2.81Å; G64-I117 CarbonylContact O-C 3.52Å; G64-I117 VanDerWaalsContact O-CA 3.29Å; G64-I117 WeakPolarHBondContact O-CA 3.45Å; G64-L118 PolarHBondContact O-N 3.28Å
65	G	98.7	Very high	98.5	Very high	2 Å²	2	35.8 Å²	35.8	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174	-174.9	178.5	0	0	0	0	0	113.8	G67 G96 L97 M98 L118	G65-G67 PolarHBondContact O-N 3.35Å; G65-G96 PolarHBondContact N-O 2.99Å; G65-L97 WeakPolarHBondContact O-CA 3.42Å; G65-M98 CarbonylContact C-O 3.6Å; G65-M98 PolarHBondContact O-N 3.08Å; G65-M98 VanDerWaalsContact O-O 3.07Å; G65-L118 CarbonylContact C-O 3.57Å; G65-L118 WeakPolarHBondContact CA-O 3.27Å
66	D	98.6	Very high	98.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.			trans	-82.4	0.6	-176.3	61.7	16.2	0	0	0	114.4	R68 L118 T119 V234 T259 G295 D296	D66-R68 VanDerWaalsContact C-N 3.27Å; D66-R68 PolarHBondContact O-N 3Å; D66-R68 WeakPolarHBondContact OD1-CB 3.38Å; D66-R68 WeakPolarHBondContact OD1-CG 3.08Å; D66-R68 PolarHBondContact OD1-N 3.33Å; D66-R68 IonicContact OD1-NE 3.8Å; D66-R68 PolarHBondContact OD1-NE 3.35Å; D66-R68 IonicContact OD2-CZ 2.73Å; D66-R68 IonicContact OD2-NE 2.76Å; D66-R68 PolarHBondContact OD2-NE 3.16Å; D66-R68 IonicContact OD2-NH2 3.7Å; D66-R68 PolarHBondContact OD2-NH2 3.22Å; D66-L118 PolarHBondContact N-O 3.13Å; D66-T119 VanDerWaalsContact OD2-CB 3.23Å; D66-T119 WeakPolarHBondContact OD2-CB 3.17Å; D66-T119 PolarHBondContact OD2-OG1 2.87Å; D66-V234 HydrophobicContact CB-CB 4.17Å; D66-V234 HydrophobicContact CB-CG1 4.07Å; D66-T259 WeakPolarHBondContact O-CG2 3.47Å; D66-G295 WeakPolarHBondContact CB-O 3.02Å; D66-D296 HydrophobicContact CB-CB 4.12Å
67	G	98.4	Very high	98.6	Very high	17 Å²	17	36 Å²	36	18%	0.175	19%	0.185	C	C	.	.			trans	76.5	10.7	179.5	0	0	0	0	0	114	G65 P261	G65-G67 PolarHBondContact O-N 3.35Å; G67-P261 WeakPolarHBondContact O-CA 3.29Å
68	R	98.3	Very high	98.6	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.008	15%	0.15	C	C	.	.			trans	-58	158.3	177	69.5	179.4	53.8	-134.3	-4.5	112.5	D66 L70 S71 A120 S121 N123 D130 F131 P261 F263	D66-R68 VanDerWaalsContact C-N 3.27Å; D66-R68 PolarHBondContact O-N 3Å; D66-R68 WeakPolarHBondContact OD1-CB 3.38Å; D66-R68 WeakPolarHBondContact OD1-CG 3.08Å; D66-R68 PolarHBondContact OD1-N 3.33Å; D66-R68 IonicContact OD1-NE 3.8Å; D66-R68 PolarHBondContact OD1-NE 3.35Å; D66-R68 IonicContact OD2-CZ 2.73Å; D66-R68 IonicContact OD2-NE 2.76Å; D66-R68 PolarHBondContact OD2-NE 3.16Å; D66-R68 IonicContact OD2-NH2 3.7Å; D66-R68 PolarHBondContact OD2-NH2 3.22Å; R68-L70 PolarHBondContact O-N 2.88Å; R68-S71 PolarHBondContact N-OG 3.48Å; R68-S71 VanDerWaalsContact O-CB 3.22Å; R68-S71 WeakPolarHBondContact O-CB 3.3Å; R68-S71 PolarHBondContact O-N 2.75Å; R68-S71 PolarHBondContact O-OG 2.99Å; R68-A120 VanDerWaalsContact NH1-CB 3.32Å; R68-S121 PolarHBondContact NH2-O 3.07Å; R68-N123 PolarHBondContact NH1-O 3.04Å; R68-D130 WeakPolarHBondContact CD-O 3.48Å; R68-D130 PolarHBondContact NH1-O 2.94Å; R68-F131 HydrophobicContact CG-CD2 3.62Å; R68-F131 HydrophobicContact CG-CE2 3.7Å; R68-P261 CarbonylContact C-O 3.54Å; R68-P261 WeakPolarHBondContact CA-O 3.38Å; R68-F263 HydrophobicContact CB-CE2 4.25Å; R68-F263 HydrophobicContact CB-CZ 3.95Å
69	Y	98.5	Very high	98.6	Very high	77 Å²	77	25.4 Å²	25.4	30%	0.302	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	139.4	178.2	-177.3	-87.9	0	0	0	111.4	V31 S71 P127 F131 P261	V31-Y69 HydrophobicContact CB-CD1 4.47Å; V31-Y69 HydrophobicContact CG1-CD1 3.63Å; V31-Y69 HydrophobicContact CG1-CE1 3.55Å; V31-Y69 HydrophobicContact CG2-CD1 4.01Å; Y69-S71 VanDerWaalsContact C-N 3.34Å; Y69-P127 HydrophobicContact CD1-CB 4.43Å; Y69-P127 HydrophobicContact CE1-CB 4.09Å; Y69-P127 HydrophobicContact CE2-CB 4.2Å; Y69-F131 WeakPolarHBondContact O-CD2 3.39Å; Y69-F131 WeakPolarHBondContact O-CE2 3.23Å; Y69-P261 PolarHBondContact N-O 2.99Å
70	L	98.1	Very high	98.7	Very high	13 Å²	13	27.4 Å²	27.4	7%	0.068	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	-11.5	-173.1	-155.5	70.4	0	0	0	115.6	Y34 M35 R68 D72 Q73 V74 F131	Y34-L70 HydrophobicContact CG-CD2 4.47Å; M35-L70 HydrophobicContact CG-CD1 4.05Å; M35-L70 HydrophobicContact CG-CD2 4.44Å; R68-L70 PolarHBondContact O-N 2.88Å; L70-D72 PolarHBondContact O-N 2.92Å; L70-Q73 HydrophobicContact CD1-CB 4.25Å; L70-Q73 PolarHBondContact O-N 2.76Å; L70-V74 HydrophobicContact CD2-CG2 4.13Å; L70-V74 HydrophobicContact CG-CG2 3.98Å; L70-V74 WeakPolarHBondContact O-CG2 3.43Å; L70-V74 PolarHBondContact O-N 3.43Å; L70-V74 VanDerWaalsContact O-N 3.1Å; L70-F131 HydrophobicContact CB-CD2 3.95Å; L70-F131 HydrophobicContact CB-CE2 4Å; L70-F131 HydrophobicContact CB-CG 4.46Å; L70-F131 HydrophobicContact CD2-CD1 4.39Å; L70-F131 HydrophobicContact CD2-CG 4.32Å
71	S	98.6	Very high	98.7	Very high	7 Å²	7	24.3 Å²	24.3	5%	0.049	12%	0.119	C	C	.	.	H	α-helix	trans	-52.7	-51.8	-175.8	-68	0	0	0	0	113.6	R68 Y69 Q73 V74 L75	R68-S71 PolarHBondContact N-OG 3.48Å; R68-S71 VanDerWaalsContact O-CB 3.22Å; R68-S71 WeakPolarHBondContact O-CB 3.3Å; R68-S71 PolarHBondContact O-N 2.75Å; R68-S71 PolarHBondContact O-OG 2.99Å; Y69-S71 VanDerWaalsContact C-N 3.34Å; S71-Q73 VanDerWaalsContact C-N 3.31Å; S71-Q73 PolarHBondContact O-N 3.18Å; S71-V74 PolarHBondContact O-N 2.97Å; S71-L75 WeakPolarHBondContact O-CG 3.5Å; S71-L75 PolarHBondContact O-N 3.02Å
72	D	98.3	Very high	98.7	Very high	94 Å²	94	24.2 Å²	24.2	50%	0.503	12%	0.118	S	C	.	.	H	α-helix	trans	-59.5	-40.8	-177.3	-60.7	-19	0	0	0	112.6	L70 V74 L75 E76 Y171	L70-D72 PolarHBondContact O-N 2.92Å; D72-V74 VanDerWaalsContact C-N 3.33Å; D72-V74 PolarHBondContact O-N 3.18Å; D72-L75 PolarHBondContact O-N 3.26Å; D72-E76 PolarHBondContact O-N 3.19Å; D72-Y171 PolarHBondContact OD1-OH 3.43Å
73	Q	98.4	Very high	98.6	Very high	98 Å²	98	24.3 Å²	24.3	46%	0.458	12%	0.119	S	C	.	.	H	α-helix	trans	-66.5	-36.7	178.1	-63.7	178.6	38.4	0	0	111.6	L70 S71 K77	L70-Q73 HydrophobicContact CD1-CB 4.25Å; L70-Q73 PolarHBondContact O-N 2.76Å; S71-Q73 VanDerWaalsContact C-N 3.31Å; S71-Q73 PolarHBondContact O-N 3.18Å; Q73-K77 WeakPolarHBondContact O-CG 3.46Å; Q73-K77 PolarHBondContact O-N 3.49Å
74	V	98.8	Very high	98.6	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-75.8	-35.6	176.9	-178.2	0	0	0	0	111.4	T40 I44 L70 S71 D72 E76 K77 I78 L118 F131 I133	T40-V74 HydrophobicContact CG2-CG1 3.86Å; T40-V74 HydrophobicContact CG2-CG2 4.01Å; I44-V74 HydrophobicContact CD1-CG1 4.22Å; L70-V74 HydrophobicContact CD2-CG2 4.13Å; L70-V74 HydrophobicContact CG-CG2 3.98Å; L70-V74 WeakPolarHBondContact O-CG2 3.43Å; L70-V74 PolarHBondContact O-N 3.43Å; L70-V74 VanDerWaalsContact O-N 3.1Å; S71-V74 PolarHBondContact O-N 2.97Å; D72-V74 VanDerWaalsContact C-N 3.33Å; D72-V74 PolarHBondContact O-N 3.18Å; V74-E76 VanDerWaalsContact C-N 3.32Å; V74-E76 PolarHBondContact O-N 3.46Å; V74-K77 WeakPolarHBondContact O-CB 3.36Å; V74-K77 PolarHBondContact O-N 2.93Å; V74-K77 VanDerWaalsContact O-N 3.14Å; V74-I78 HydrophobicContact CG1-CD1 4.11Å; V74-I78 HydrophobicContact CG1-CG1 4.39Å; V74-I78 WeakPolarHBondContact O-CG1 2.84Å; V74-I78 PolarHBondContact O-N 2.98Å; V74-L118 HydrophobicContact CB-CD1 4.1Å; V74-L118 HydrophobicContact CB-CD2 4.36Å; V74-L118 HydrophobicContact CG1-CD1 4.16Å; V74-L118 HydrophobicContact CG1-CD2 3.65Å; V74-F131 HydrophobicContact CB-CE1 4.09Å; V74-F131 HydrophobicContact CB-CZ 4.01Å; V74-F131 HydrophobicContact CG1-CE1 4.17Å; V74-F131 HydrophobicContact CG1-CZ 4.44Å; V74-F131 HydrophobicContact CG2-CD1 4.46Å; V74-F131 HydrophobicContact CG2-CE1 3.6Å; V74-F131 HydrophobicContact CG2-CZ 3.75Å; V74-I133 HydrophobicContact CG1-CD1 4.04Å
75	L	98.8	Very high	98.6	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.016	13%	0.125	C	C	.	.	H	α-helix	trans	-57.7	-45.8	172.3	-73.7	173.7	0	0	0	111.1	V63 S71 D72 K77 I78 F79 I92 L118 Y171	V63-L75 HydrophobicContact CG1-CD2 3.41Å; V63-L75 VanDerWaalsContact CG1-CD2 3.41Å; S71-L75 WeakPolarHBondContact O-CG 3.5Å; S71-L75 PolarHBondContact O-N 3.02Å; D72-L75 PolarHBondContact O-N 3.26Å; L75-K77 VanDerWaalsContact C-N 3.31Å; L75-K77 PolarHBondContact O-N 2.78Å; L75-I78 PolarHBondContact O-N 2.6Å; L75-I78 VanDerWaalsContact O-N 3.15Å; L75-F79 HydrophobicContact CB-CE2 4.06Å; L75-F79 WeakPolarHBondContact O-CD2 3.31Å; L75-F79 WeakPolarHBondContact O-CG 3.31Å; L75-F79 PolarHBondContact O-N 3.03Å; L75-I92 HydrophobicContact CD1-CD1 4.38Å; L75-I92 HydrophobicContact CD2-CD1 3.96Å; L75-L118 HydrophobicContact CD2-CD1 3.65Å; L75-L118 HydrophobicContact CG-CD1 3.64Å; L75-Y171 HydrophobicContact CD1-CE2 3.89Å
76	E	98.6	Very high	98.6	Very high	105 Å²	105	25.8 Å²	25.8	49%	0.491	13%	0.131	S	C	.	.	H	α-helix	trans	-55.4	-46.3	173.9	-73.7	-172.4	-174.9	0	0	112	D72 V74 I78 F79 K80	D72-E76 PolarHBondContact O-N 3.19Å; V74-E76 VanDerWaalsContact C-N 3.32Å; V74-E76 PolarHBondContact O-N 3.46Å; E76-I78 PolarHBondContact O-N 3.43Å; E76-F79 PolarHBondContact O-N 3.46Å; E76-K80 WeakPolarHBondContact O-CG 3.45Å; E76-K80 PolarHBondContact O-N 2.94Å
77	K	98.8	Very high	98.6	Very high	45 Å²	45	25.8 Å²	25.8	20%	0.196	13%	0.131	C	C	.	.	H	α-helix	trans	-62.2	-42.2	177.1	-66.5	173.7	-177.6	-154.8	0	111.8	T40 E41 I44 Q73 V74 L75 K80 I81	T40-K77 HydrophobicContact CG2-CD 3.96Å; E41-K77 HydrophobicContact CG-CD 4.12Å; E41-K77 HydrophobicContact CG-CG 4.41Å; E41-K77 WeakPolarHBondContact OE1-CD 3.36Å; E41-K77 WeakPolarHBondContact OE1-CE 3.42Å; E41-K77 IonicContact OE1-NZ 3.73Å; E41-K77 PolarHBondContact OE1-NZ 3.25Å; E41-K77 IonicContact OE2-NZ 3.76Å; E41-K77 PolarHBondContact OE2-NZ 3.36Å; E41-K77 VanDerWaalsContact OE2-NZ 3.15Å; I44-K77 HydrophobicContact CD1-CB 3.87Å; Q73-K77 WeakPolarHBondContact O-CG 3.46Å; Q73-K77 PolarHBondContact O-N 3.49Å; V74-K77 WeakPolarHBondContact O-CB 3.36Å; V74-K77 PolarHBondContact O-N 2.93Å; V74-K77 VanDerWaalsContact O-N 3.14Å; L75-K77 VanDerWaalsContact C-N 3.31Å; L75-K77 PolarHBondContact O-N 2.78Å; K77-K80 PolarHBondContact O-N 3.37Å; K77-I81 WeakPolarHBondContact O-CB 3.46Å; K77-I81 WeakPolarHBondContact O-CG1 3.34Å; K77-I81 PolarHBondContact O-N 2.77Å
78	I	98.9	Very high	98.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.5	-49.7	177.2	-70.4	166.9	0	0	0	110.3	I44 V63 V74 L75 E76 K80 I81 A82 I116 L118	I44-I78 HydrophobicContact CD1-CG1 3.67Å; I44-I78 HydrophobicContact CG1-CG1 4.13Å; I44-I78 HydrophobicContact CG2-CG1 4.32Å; V63-I78 HydrophobicContact CG1-CD1 4.14Å; V63-I78 HydrophobicContact CG1-CG2 4.16Å; V63-I78 HydrophobicContact CG2-CG2 3.92Å; V74-I78 HydrophobicContact CG1-CD1 4.11Å; V74-I78 HydrophobicContact CG1-CG1 4.39Å; V74-I78 WeakPolarHBondContact O-CG1 2.84Å; V74-I78 PolarHBondContact O-N 2.98Å; L75-I78 PolarHBondContact O-N 2.6Å; L75-I78 VanDerWaalsContact O-N 3.15Å; E76-I78 PolarHBondContact O-N 3.43Å; I78-K80 VanDerWaalsContact C-N 3.35Å; I78-K80 PolarHBondContact O-N 3.27Å; I78-I81 PolarHBondContact O-N 2.86Å; I78-A82 WeakPolarHBondContact O-CB 3.34Å; I78-A82 PolarHBondContact O-N 3.14Å; I78-I116 HydrophobicContact CD1-CB 4.31Å; I78-I116 HydrophobicContact CD1-CG2 3.63Å; I78-I116 HydrophobicContact CG1-CD1 4.44Å; I78-I116 HydrophobicContact CG1-CG2 4.48Å; I78-I116 HydrophobicContact CG2-CD1 4.23Å; I78-L118 HydrophobicContact CD1-CD1 4.27Å; I78-L118 HydrophobicContact CD1-CD2 3.85Å; I78-L118 HydrophobicContact CD1-CG 4.29Å
79	F	98.9	Very high	98.7	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.018	14%	0.139	C	C	.	.	H	α-helix	trans	-58.9	-47	178.9	-61.9	-50.2	0	0	0	111.8	L75 E76 I81 A83 I90 I92 L167 I169 Y171 V189	L75-F79 HydrophobicContact CB-CE2 4.06Å; L75-F79 WeakPolarHBondContact O-CD2 3.31Å; L75-F79 WeakPolarHBondContact O-CG 3.31Å; L75-F79 PolarHBondContact O-N 3.03Å; E76-F79 PolarHBondContact O-N 3.46Å; F79-I81 PolarHBondContact O-N 2.89Å; F79-A83 VanDerWaalsContact O-CB 3.24Å; F79-A83 WeakPolarHBondContact O-CB 2.97Å; F79-A83 PolarHBondContact O-N 2.86Å; F79-I90 HydrophobicContact CD1-CD1 3.79Å; F79-I90 HydrophobicContact CE1-CD1 4.33Å; F79-I90 HydrophobicContact CE1-CG2 4.06Å; F79-I92 HydrophobicContact CE1-CD1 4.3Å; F79-I92 HydrophobicContact CZ-CD1 3.67Å; F79-L167 HydrophobicContact CB-CD2 4.14Å; F79-L167 WeakPolarHBondContact O-CD2 3.37Å; F79-I169 HydrophobicContact CB-CG1 4.03Å; F79-I169 HydrophobicContact CD1-CG1 4.28Å; F79-I169 HydrophobicContact CD2-CB 3.81Å; F79-I169 HydrophobicContact CD2-CG1 4.04Å; F79-I169 HydrophobicContact CD2-CG2 4.24Å; F79-I169 HydrophobicContact CE1-CG2 4.24Å; F79-I169 HydrophobicContact CE2-CB 3.97Å; F79-I169 HydrophobicContact CE2-CG2 3.96Å; F79-I169 HydrophobicContact CG-CB 4.15Å; F79-I169 HydrophobicContact CG-CG1 3.87Å; F79-I169 HydrophobicContact CZ-CB 4.42Å; F79-I169 HydrophobicContact CZ-CG2 3.95Å; F79-Y171 AromaticContact CE2-CD1 3.74Å; F79-Y171 HydrophobicContact CE2-CD1 3.74Å; F79-Y171 AromaticContact CE2-CE1 3.85Å; F79-Y171 HydrophobicContact CE2-CE1 3.85Å; F79-Y171 HydrophobicContact CZ-CD1 4.1Å; F79-V189 HydrophobicContact CE1-CG1 4.26Å
80	K	98.8	Very high	98.7	Very high	41 Å²	41	23.8 Å²	23.8	18%	0.178	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-43.3	-177.9	-66.8	179.4	178.9	-174	0	112.3	E76 K77 I78 A84 L163 C164 P165 L167	E76-K80 WeakPolarHBondContact O-CG 3.45Å; E76-K80 PolarHBondContact O-N 2.94Å; K77-K80 PolarHBondContact O-N 3.37Å; I78-K80 VanDerWaalsContact C-N 3.35Å; I78-K80 PolarHBondContact O-N 3.27Å; K80-A84 PolarHBondContact O-N 2.93Å; K80-L163 HydrophobicContact CB-CB 4.05Å; K80-L163 WeakPolarHBondContact O-CA 3.49Å; K80-C164 WeakPolarHBondContact CG-O 3.4Å; K80-C164 PolarHBondContact O-N 3.27Å; K80-P165 WeakPolarHBondContact CE-O 3.49Å; K80-P165 PolarHBondContact NZ-O 2.87Å; K80-L167 WeakPolarHBondContact CE-O 3.39Å; K80-L167 HydrophobicContact CG-CB 4.13Å
81	I	98.9	Very high	98.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-75.3	-43.1	-179.1	-67.1	168.4	0	0	0	111	E41 I44 M48 K77 I78 F79 A83 A84 N85 H162 L163	E41-I81 HydrophobicContact CB-CD1 3.8Å; E41-I81 HydrophobicContact CG-CD1 3.97Å; I44-I81 HydrophobicContact CB-CD1 3.92Å; I44-I81 HydrophobicContact CD1-CD1 4.27Å; I44-I81 HydrophobicContact CG2-CB 3.97Å; I44-I81 HydrophobicContact CG2-CD1 3.9Å; I44-I81 HydrophobicContact CG2-CG2 3.8Å; M48-I81 HydrophobicContact CG-CG2 4.15Å; K77-I81 WeakPolarHBondContact O-CB 3.46Å; K77-I81 WeakPolarHBondContact O-CG1 3.34Å; K77-I81 PolarHBondContact O-N 2.77Å; I78-I81 PolarHBondContact O-N 2.86Å; F79-I81 PolarHBondContact O-N 2.89Å; I81-A83 PolarHBondContact O-N 3.47Å; I81-A84 PolarHBondContact O-N 3.07Å; I81-N85 WeakPolarHBondContact CG2-ND2 3.41Å; I81-N85 WeakPolarHBondContact O-CB 3.32Å; I81-N85 PolarHBondContact O-N 2.94Å; I81-N85 PolarHBondContact O-ND2 3.38Å; I81-H162 WeakPolarHBondContact CA-O 3.25Å; I81-L163 HydrophobicContact CG1-CB 3.95Å
82	A	98.9	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.8	-45.6	177.7	0	0	0	0	0	111.6	M48 I78 A84 N85 G86 V87 I90 M187	M48-A82 HydrophobicContact CE-CB 3.81Å; I78-A82 WeakPolarHBondContact O-CB 3.34Å; I78-A82 PolarHBondContact O-N 3.14Å; A82-A84 PolarHBondContact O-N 2.82Å; A82-N85 PolarHBondContact O-N 3.26Å; A82-G86 PolarHBondContact O-N 3.2Å; A82-G86 VanDerWaalsContact O-N 3.14Å; A82-V87 HydrophobicContact CB-CB 3.97Å; A82-V87 HydrophobicContact CB-CG1 4.44Å; A82-V87 HydrophobicContact CB-CG2 3.82Å; A82-V87 WeakPolarHBondContact O-CB 3.23Å; A82-V87 PolarHBondContact O-N 2.8Å; A82-I90 HydrophobicContact CB-CD1 3.78Å; A82-M187 HydrophobicContact CB-SD 4.16Å
83	A	98.7	Very high	98.7	Very high	2 Å²	2	18.5 Å²	18.5	2%	0.017	10%	0.096	C	C	.	.	H	α-helix	trans	-59.6	-47.1	176.9	0	0	0	0	0	111.9	F79 I81 N85 G86 L167 V181 M187	F79-A83 VanDerWaalsContact O-CB 3.24Å; F79-A83 WeakPolarHBondContact O-CB 2.97Å; F79-A83 PolarHBondContact O-N 2.86Å; I81-A83 PolarHBondContact O-N 3.47Å; A83-N85 VanDerWaalsContact C-N 3.25Å; A83-N85 PolarHBondContact O-N 3.46Å; A83-G86 PolarHBondContact O-N 3.44Å; A83-L167 HydrophobicContact CB-CD2 3.66Å; A83-V181 HydrophobicContact CB-CG2 3.98Å; A83-M187 HydrophobicContact CB-CE 3.66Å; A83-M187 HydrophobicContact CB-SD 4.08Å
84	A	98.7	Very high	98.7	Very high	10 Å²	10	18.5 Å²	18.5	8%	0.083	10%	0.095	C	C	.	.	H	α-helix	trans	-66.1	-27.6	178.6	0	0	0	0	0	113.4	V9 K80 I81 A82 G86 H162 L163	V9-A84 HydrophobicContact CG1-CB 3.92Å; V9-A84 HydrophobicContact CG2-CB 3.98Å; K80-A84 PolarHBondContact O-N 2.93Å; I81-A84 PolarHBondContact O-N 3.07Å; A82-A84 PolarHBondContact O-N 2.82Å; A84-G86 VanDerWaalsContact C-N 3.35Å; A84-H162 HydrophobicContact CB-CB 3.94Å; A84-H162 WeakPolarHBondContact CB-O 3.47Å; A84-L163 VanDerWaalsContact CB-CA 3.46Å
85	N	98.7	Very high	98.7	Very high	8 Å²	8	24.1 Å²	24.1	4%	0.043	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-0.5	178.7	-82.6	-85.5	0	0	0	114	Q45 M48 K56 I81 A82 A83	Q45-N85 PolarHBondContact NE2-ND2 2.87Å; Q45-N85 PolarHBondContact NE2-OD1 2.86Å; Q45-N85 PolarHBondContact OE1-ND2 2.94Å; M48-N85 HydrophobicContact CB-CB 4.41Å; M48-N85 HydrophobicContact CG-CB 4.45Å; K56-N85 HydrophobicContact CD-CB 3.97Å; K56-N85 HydrophobicContact CG-CB 4.28Å; K56-N85 PolarHBondContact NZ-OD1 3.32Å; I81-N85 WeakPolarHBondContact CG2-ND2 3.41Å; I81-N85 WeakPolarHBondContact O-CB 3.32Å; I81-N85 PolarHBondContact O-N 2.94Å; I81-N85 PolarHBondContact O-ND2 3.38Å; A82-N85 PolarHBondContact O-N 3.26Å; A83-N85 VanDerWaalsContact C-N 3.25Å; A83-N85 PolarHBondContact O-N 3.46Å
86	G	98.4	Very high	98.7	Very high	14 Å²	14	24.1 Å²	24.1	14%	0.144	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	24.3	175.1	0	0	0	0	0	114.6	K57 G58 A82 A83 A84 G88	K57-G86 CarbonylContact C-O 3.57Å; K57-G86 WeakPolarHBondContact CA-O 3.12Å; G58-G86 PolarHBondContact N-O 3.48Å; A82-G86 PolarHBondContact O-N 3.2Å; A82-G86 VanDerWaalsContact O-N 3.14Å; A83-G86 PolarHBondContact O-N 3.44Å; A84-G86 VanDerWaalsContact C-N 3.35Å; G86-G88 PolarHBondContact O-N 3.29Å
87	V	98.8	Very high	98.7	Very high	1 Å²	1	21 Å²	21	1%	0.006	11%	0.106	C	C	.	.			trans	-56.1	131.6	166.7	173.1	0	0	0	0	108.4	M48 L52 A59 I61 A82 I90 M187	M48-V87 HydrophobicContact SD-CG2 4Å; L52-V87 HydrophobicContact CD1-CG2 4.24Å; A59-V87 WeakPolarHBondContact O-CG1 3.32Å; I61-V87 HydrophobicContact CD1-CG1 4.07Å; I61-V87 HydrophobicContact CG1-CG1 3.96Å; A82-V87 HydrophobicContact CB-CB 3.97Å; A82-V87 HydrophobicContact CB-CG1 4.44Å; A82-V87 HydrophobicContact CB-CG2 3.82Å; A82-V87 WeakPolarHBondContact O-CB 3.23Å; A82-V87 PolarHBondContact O-N 2.8Å; V87-I90 HydrophobicContact CG1-CG1 4.06Å; V87-M187 HydrophobicContact CB-SD 4.33Å; V87-M187 HydrophobicContact CG1-SD 4.44Å; V87-M187 VanDerWaalsContact O-CB 3.26Å; V87-M187 WeakPolarHBondContact O-CB 3.24Å; V87-M187 WeakPolarHBondContact O-CG 3.44Å
88	G	98.6	Very high	98.7	Very high	18 Å²	18	18.9 Å²	18.9	19%	0.186	10%	0.097	C	C	.	.			trans	-85.4	-32.5	-173	0	0	0	0	0	113.2	A59 G86 M187 V188	A59-G88 PolarHBondContact O-N 3.25Å; G86-G88 PolarHBondContact O-N 3.29Å; G88-M187 WeakPolarHBondContact O-CA 3.49Å; G88-V188 PolarHBondContact O-N 3.33Å
89	H	98.9	Very high	98.7	Very high	35 Å²	35	18.9 Å²	18.9	16%	0.162	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	129.2	-175.6	-166	167.9	0	0	0	111.2	A59 K60 I61 V188 E190	A59-H89 PolarHBondContact O-N 2.91Å; K60-H89 CarbonylContact C-O 3.49Å; K60-H89 VanDerWaalsContact CA-O 3.3Å; K60-H89 WeakPolarHBondContact CA-O 3.32Å; K60-H89 HydrophobicContact CB-CB 4.15Å; K60-H89 HydrophobicContact CG-CB 3.99Å; I61-H89 PolarHBondContact N-O 2.81Å; H89-V188 CarbonylContact C-O 3.57Å; H89-V188 VanDerWaalsContact CA-O 3.27Å; H89-V188 WeakPolarHBondContact CA-O 3.24Å; H89-V188 PolarHBondContact CD2-O 3.47Å; H89-E190 IonicContact CE1-OE2 2.91Å; H89-E190 PolarHBondContact CE1-OE2 3.09Å; H89-E190 WeakPolarHBondContact NE2-CB 3.41Å; H89-E190 IonicContact NE2-OE2 3.29Å; H89-E190 PolarHBondContact NE2-OE2 3.02Å
90	I	98.9	Very high	98.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	121.9	166.6	-63.6	176.1	0	0	0	109.7	I61 V63 F79 A82 V87 M187 V188 V189 E190	I61-I90 HydrophobicContact CD1-CG1 4.12Å; I61-I90 HydrophobicContact CG1-CG1 3.83Å; I61-I90 CarbonylContact O-C 3.5Å; I61-I90 WeakPolarHBondContact O-CA 3.46Å; V63-I90 HydrophobicContact CB-CG2 4.04Å; V63-I90 HydrophobicContact CG2-CG2 3.73Å; F79-I90 HydrophobicContact CD1-CD1 3.79Å; F79-I90 HydrophobicContact CE1-CD1 4.33Å; F79-I90 HydrophobicContact CE1-CG2 4.06Å; A82-I90 HydrophobicContact CB-CD1 3.78Å; V87-I90 HydrophobicContact CG1-CG1 4.06Å; I90-M187 HydrophobicContact CD1-CE 4.03Å; I90-M187 HydrophobicContact CD1-SD 3.57Å; I90-M187 VanDerWaalsContact CD1-SD 3.57Å; I90-M187 HydrophobicContact CG1-SD 3.97Å; I90-V188 PolarHBondContact N-O 3.31Å; I90-V189 HydrophobicContact CB-CG1 4.47Å; I90-V189 HydrophobicContact CB-CG2 4.49Å; I90-V189 CarbonylContact O-C 3.54Å; I90-V189 WeakPolarHBondContact O-CA 3.3Å; I90-E190 PolarHBondContact O-N 3.43Å
91	L	98.9	Very high	98.7	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.016	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.9	166.3	-70.7	160.4	0	0	0	108.6	K60 I61 V62 V63 F110 E190 F192	K60-L91 HydrophobicContact CD-CD1 3.83Å; K60-L91 HydrophobicContact CG-CD1 4.1Å; I61-L91 PolarHBondContact O-N 2.92Å; V62-L91 CarbonylContact C-O 3.48Å; V62-L91 VanDerWaalsContact CA-O 3.28Å; V62-L91 WeakPolarHBondContact CA-O 3.48Å; V62-L91 HydrophobicContact CG2-CB 4.3Å; V62-L91 HydrophobicContact CG2-CD1 4.47Å; V63-L91 PolarHBondContact N-O 3.09Å; L91-F110 HydrophobicContact CD1-CB 3.46Å; L91-F110 VanDerWaalsContact CD1-CB 3.46Å; L91-F110 HydrophobicContact CD1-CD2 3.64Å; L91-F110 HydrophobicContact CD1-CG 3.67Å; L91-E190 WeakPolarHBondContact CA-O 3.4Å; L91-E190 HydrophobicContact CD2-CB 3.96Å; L91-E190 HydrophobicContact CD2-CG 4.1Å; L91-F192 HydrophobicContact CB-CD1 4.34Å; L91-F192 HydrophobicContact CB-CE1 3.97Å; L91-F192 HydrophobicContact CD2-CD1 4.34Å
92	I	98.9	Very high	98.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	139.2	179.6	-178.9	163.4	0	0	0	111.4	V63 L75 F79 Y171 V189 E190 V191 F192	V63-I92 HydrophobicContact CG1-CD1 4.49Å; V63-I92 WeakPolarHBondContact O-CA 3.49Å; V63-I92 VanDerWaalsContact O-CG1 3.28Å; V63-I92 WeakPolarHBondContact O-CG1 3.32Å; L75-I92 HydrophobicContact CD1-CD1 4.38Å; L75-I92 HydrophobicContact CD2-CD1 3.96Å; F79-I92 HydrophobicContact CE1-CD1 4.3Å; F79-I92 HydrophobicContact CZ-CD1 3.67Å; I92-Y171 HydrophobicContact CD1-CG 4.44Å; I92-V189 HydrophobicContact CG2-CG1 4.13Å; I92-E190 PolarHBondContact N-O 3.47Å; I92-V191 HydrophobicContact CG2-CB 4.33Å; I92-V191 HydrophobicContact CG2-CG2 3.86Å; I92-V191 CarbonylContact O-C 3.45Å; I92-V191 VanDerWaalsContact O-CA 3.27Å; I92-V191 WeakPolarHBondContact O-CA 3.17Å; I92-F192 VanDerWaalsContact O-CD1 3.23Å; I92-F192 WeakPolarHBondContact O-CD1 3.38Å; I92-F192 PolarHBondContact O-N 3.34Å
93	G	98.5	Very high	98.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	147.8	172.2	0	0	0	0	0	111.4	K95 G96 M98	G93-K95 PolarHBondContact O-N 3.07Å; G93-G96 VanDerWaalsContact O-CA 3.3Å; G93-G96 WeakPolarHBondContact O-CA 3.41Å; G93-G96 PolarHBondContact O-N 3.42Å; G93-M98 PolarHBondContact N-SD 3.46Å; G93-M98 VanDerWaalsContact N-SD 3.38Å
94	K	98.3	Very high	98.7	Very high	99 Å²	99	16.7 Å²	16.7	43%	0.43	9%	0.088	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-46.6	130.8	173	-174.8	-179	175.7	-178.8	0	111.3	G96 L97 D172 V191 F192	K94-G96 PolarHBondContact O-N 3.09Å; K94-L97 PolarHBondContact O-N 3.28Å; K94-D172 VanDerWaalsContact CE-O 3.28Å; K94-D172 WeakPolarHBondContact CE-O 3.22Å; K94-D172 WeakPolarHBondContact CG-O 3.18Å; K94-V191 HydrophobicContact CB-CG1 4.5Å; K94-F192 PolarHBondContact N-O 3.08Å
95	K	97.7	Very high	98.7	Very high	118 Å²	118	16.4 Å²	16.4	51%	0.513	8%	0.084	S	C	.	.	E	Extended strand (participates in β ladder)	trans	60.7	16.8	-173.3	-59.9	178	176	-173.8	0	115	G93 L97 Y171	G93-K95 PolarHBondContact O-N 3.07Å; K95-L97 HydrophobicContact CB-CD1 4.23Å; K95-L97 HydrophobicContact CB-CG 4.09Å; K95-L97 PolarHBondContact O-N 3.3Å; K95-Y171 WeakPolarHBondContact CA-O 3.26Å; K95-Y171 PolarHBondContact N-O 2.67Å
96	G	98.3	Very high	98.7	Very high	4 Å²	4	16 Å²	16	4%	0.041	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70	6.7	-172.9	0	0	0	0	0	114.4	G64 G65 G93 K94	G64-G96 CarbonylContact C-O 3.5Å; G64-G96 WeakPolarHBondContact CA-O 3.46Å; G65-G96 PolarHBondContact N-O 2.99Å; G93-G96 VanDerWaalsContact O-CA 3.3Å; G93-G96 WeakPolarHBondContact O-CA 3.41Å; G93-G96 PolarHBondContact O-N 3.42Å; K94-G96 PolarHBondContact O-N 3.09Å
97	L	98.6	Very high	98.7	Very high	39 Å²	39	15.3 Å²	15.3	20%	0.204	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	116.4	-173.9	-64.2	-179.1	0	0	0	111.3	G65 K94 K95 S194 V234 T259	G65-L97 WeakPolarHBondContact O-CA 3.42Å; K94-L97 PolarHBondContact O-N 3.28Å; K95-L97 HydrophobicContact CB-CD1 4.23Å; K95-L97 HydrophobicContact CB-CG 4.09Å; K95-L97 PolarHBondContact O-N 3.3Å; L97-S194 PolarHBondContact O-OG 2.86Å; L97-S194 VanDerWaalsContact O-OG 3.12Å; L97-V234 HydrophobicContact CB-CG2 3.9Å; L97-V234 HydrophobicContact CD2-CG2 4.23Å; L97-T259 HydrophobicContact CD2-CG2 4.32Å
98	M	98.9	Very high	98.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.			trans	-147.4	131.6	177.2	-64.1	-171.3	72.6	0	0	110.6	V62 G65 G93 S102 V103 A106 F192 Y238	V62-M98 HydrophobicContact CG1-CE 3.99Å; V62-M98 HydrophobicContact CG1-SD 3.93Å; G65-M98 CarbonylContact C-O 3.6Å; G65-M98 PolarHBondContact O-N 3.08Å; G65-M98 VanDerWaalsContact O-O 3.07Å; G93-M98 PolarHBondContact N-SD 3.46Å; G93-M98 VanDerWaalsContact N-SD 3.38Å; M98-S102 WeakPolarHBondContact CB-OG 3.43Å; M98-V103 HydrophobicContact CB-CG2 3.6Å; M98-V103 HydrophobicContact CE-CB 4.4Å; M98-V103 HydrophobicContact CE-CG2 3.84Å; M98-V103 HydrophobicContact CG-CG2 4.37Å; M98-V103 HydrophobicContact SD-CG2 3.95Å; M98-A106 HydrophobicContact CE-CB 4.03Å; M98-F192 HydrophobicContact CE-CE1 4.48Å; M98-F192 HydrophobicContact CE-CE2 4.45Å; M98-F192 HydrophobicContact CE-CZ 3.67Å; M98-F192 HydrophobicContact SD-CZ 4.23Å; M98-Y238 WeakPolarHBondContact CA-OH 3.29Å
99	T	98.9	Very high	98.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.097	C	C	.	.			trans	-65.2	148.6	163.9	60.7	0	0	0	0	109	P101 S102 V103 V234 T235 Y238 D296	T99-P101 VanDerWaalsContact C-N 3.32Å; T99-S102 PolarHBondContact N-OG 3.27Å; T99-S102 PolarHBondContact O-N 3.47Å; T99-S102 PolarHBondContact O-OG 3.14Å; T99-S102 WeakPolarHBondContact OG1-CB 3.34Å; T99-S102 PolarHBondContact OG1-N 2.87Å; T99-S102 PolarHBondContact OG1-OG 2.96Å; T99-S102 VanDerWaalsContact OG1-OG 3.11Å; T99-V103 PolarHBondContact O-N 3.3Å; T99-V234 HydrophobicContact CG2-CG1 3.64Å; T99-T235 HydrophobicContact CG2-CG2 3.91Å; T99-Y238 HydrophobicContact CG2-CD2 3.83Å; T99-Y238 HydrophobicContact CG2-CE2 3.77Å; T99-Y238 HydrophobicContact CG2-CG 4.28Å; T99-D296 CarbonylContact C-O 3.55Å; T99-D296 VanDerWaalsContact CA-O 3.22Å; T99-D296 WeakPolarHBondContact CA-O 3.4Å; T99-D296 VanDerWaalsContact CB-O 3.27Å; T99-D296 WeakPolarHBondContact CB-O 3.36Å
100	T	98.8	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-54	-43	173.6	-57.3	0	0	0	0	112.1	S102 V103 S104 I117 D296 E395	T100-S102 PolarHBondContact O-N 3.01Å; T100-V103 PolarHBondContact O-N 3.03Å; T100-S104 PolarHBondContact O-N 3.45Å; T100-I117 HydrophobicContact CG2-CD1 3.75Å; T100-D296 PolarHBondContact N-O 3.49Å; T100-D296 WeakPolarHBondContact OG1-CB 3.44Å; T100-D296 PolarHBondContact OG1-OD2 3.02Å; T100-E395 HydrophobicContact CG2-CG 3.54Å; T100-E395 WeakPolarHBondContact CG2-OE2 3.38Å
101	P	98.9	Very high	98.6	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.013	14%	0.138	C	C	.	.	H	α-helix	trans	-61	-38.1	171.7	16.3	-29.6	0	0	0	114.6	T99 V103 S104 L105 Y198 I393 D397	T99-P101 VanDerWaalsContact C-N 3.32Å; P101-V103 VanDerWaalsContact C-N 3.31Å; P101-V103 PolarHBondContact O-N 3.37Å; P101-S104 WeakPolarHBondContact O-CB 3.43Å; P101-S104 PolarHBondContact O-N 2.74Å; P101-L105 PolarHBondContact O-N 2.93Å; P101-Y198 HydrophobicContact CB-CE2 4.33Å; P101-I393 HydrophobicContact CB-CD1 3.66Å; P101-D397 HydrophobicContact CB-CB 3.95Å; P101-D397 WeakPolarHBondContact CB-OD2 3.16Å; P101-D397 HydrophobicContact CG-CB 4.42Å
102	S	98.9	Very high	98.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.5	-32.3	175.6	72.9	0	0	0	0	112.6	M98 T99 T100 L105 A106 Y238	M98-S102 WeakPolarHBondContact CB-OG 3.43Å; T99-S102 PolarHBondContact N-OG 3.27Å; T99-S102 PolarHBondContact O-N 3.47Å; T99-S102 PolarHBondContact O-OG 3.14Å; T99-S102 WeakPolarHBondContact OG1-CB 3.34Å; T99-S102 PolarHBondContact OG1-N 2.87Å; T99-S102 PolarHBondContact OG1-OG 2.96Å; T99-S102 VanDerWaalsContact OG1-OG 3.11Å; T100-S102 PolarHBondContact O-N 3.01Å; S102-L105 PolarHBondContact O-N 3.5Å; S102-A106 WeakPolarHBondContact O-CB 3.44Å; S102-A106 PolarHBondContact O-N 3.19Å; S102-Y238 PolarHBondContact OG-OH 2.8Å
103	V	98.9	Very high	98.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.3	-45.7	170.9	177.2	0	0	0	0	110.4	V62 M98 T99 T100 P101 L105 A106 I107 A115 I117	V62-V103 HydrophobicContact CB-CG1 4.19Å; V62-V103 HydrophobicContact CG1-CG1 3.95Å; M98-V103 HydrophobicContact CB-CG2 3.6Å; M98-V103 HydrophobicContact CE-CB 4.4Å; M98-V103 HydrophobicContact CE-CG2 3.84Å; M98-V103 HydrophobicContact CG-CG2 4.37Å; M98-V103 HydrophobicContact SD-CG2 3.95Å; T99-V103 PolarHBondContact O-N 3.3Å; T100-V103 PolarHBondContact O-N 3.03Å; P101-V103 VanDerWaalsContact C-N 3.31Å; P101-V103 PolarHBondContact O-N 3.37Å; V103-L105 VanDerWaalsContact C-N 3.28Å; V103-L105 PolarHBondContact O-N 2.87Å; V103-A106 PolarHBondContact O-N 2.8Å; V103-I107 HydrophobicContact CG1-CD1 4.04Å; V103-I107 HydrophobicContact CG1-CG1 4.39Å; V103-I107 VanDerWaalsContact O-CG1 3.3Å; V103-I107 WeakPolarHBondContact O-CG1 3.43Å; V103-I107 PolarHBondContact O-N 3.46Å; V103-A115 HydrophobicContact CG1-CB 3.46Å; V103-A115 VanDerWaalsContact CG1-CB 3.46Å; V103-I117 HydrophobicContact CB-CD1 4Å; V103-I117 HydrophobicContact CB-CG1 4.39Å; V103-I117 HydrophobicContact CG1-CD1 3.78Å; V103-I117 HydrophobicContact CG1-CG1 3.91Å; V103-I117 HydrophobicContact CG2-CD1 4.45Å; V103-I117 HydrophobicContact CG2-CG1 4.44Å; V103-I117 HydrophobicContact CG2-CG2 4.34Å
104	S	98.9	Very high	98.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.7	-42.4	176.1	-165	0	0	0	0	112	T100 P101 R108 G140 R394	T100-S104 PolarHBondContact O-N 3.45Å; P101-S104 WeakPolarHBondContact O-CB 3.43Å; P101-S104 PolarHBondContact O-N 2.74Å; S104-R108 WeakPolarHBondContact O-CG 3.39Å; S104-R108 PolarHBondContact O-N 2.85Å; S104-G140 WeakPolarHBondContact CA-O 3.26Å; S104-G140 VanDerWaalsContact CB-O 3.27Å; S104-G140 WeakPolarHBondContact CB-O 3.36Å; S104-G140 PolarHBondContact OG-O 3.5Å; S104-R394 PolarHBondContact OG-N 3.41Å; S104-R394 VanDerWaalsContact OG-N 3.15Å
105	L	98.9	Very high	98.6	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-60.8	-51.8	174.5	-178.6	64.2	0	0	0	111.5	P101 S102 V103 I107 R108 E109 Q197 Y198 R201 Y392 I393	P101-L105 PolarHBondContact O-N 2.93Å; S102-L105 PolarHBondContact O-N 3.5Å; V103-L105 VanDerWaalsContact C-N 3.28Å; V103-L105 PolarHBondContact O-N 2.87Å; L105-I107 VanDerWaalsContact C-N 3.33Å; L105-I107 PolarHBondContact O-N 3.45Å; L105-R108 PolarHBondContact O-N 2.86Å; L105-R108 VanDerWaalsContact O-N 3.1Å; L105-E109 HydrophobicContact CD1-CG 3.95Å; L105-E109 WeakPolarHBondContact CD1-OE1 3.45Å; L105-E109 HydrophobicContact CG-CG 4.28Å; L105-E109 PolarHBondContact O-N 3.44Å; L105-Q197 HydrophobicContact CD2-CG 4.28Å; L105-Y198 HydrophobicContact CD2-CD2 4.02Å; L105-R201 HydrophobicContact CD1-CB 4.43Å; L105-R201 HydrophobicContact CD1-CG 3.87Å; L105-R201 HydrophobicContact CD2-CB 3.8Å; L105-R201 HydrophobicContact CD2-CG 4.03Å; L105-Y392 HydrophobicContact CD1-CD2 4.4Å; L105-Y392 HydrophobicContact CD1-CE2 4.39Å; L105-I393 HydrophobicContact CB-CG2 4.01Å; L105-I393 HydrophobicContact CD1-CG2 4.11Å
106	A	98.9	Very high	98.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.9	-40.9	-179	0	0	0	0	0	112.3	V62 M98 S102 V103 R108 F110 F192	V62-A106 HydrophobicContact CG1-CB 4.13Å; V62-A106 HydrophobicContact CG2-CB 4.08Å; M98-A106 HydrophobicContact CE-CB 4.03Å; S102-A106 WeakPolarHBondContact O-CB 3.44Å; S102-A106 PolarHBondContact O-N 3.19Å; V103-A106 PolarHBondContact O-N 2.8Å; A106-R108 VanDerWaalsContact C-N 3.29Å; A106-R108 PolarHBondContact O-N 3.25Å; A106-F110 HydrophobicContact CB-CD2 3.94Å; A106-F110 HydrophobicContact CB-CE2 4.1Å; A106-F110 VanDerWaalsContact O-CB 3.3Å; A106-F110 WeakPolarHBondContact O-CB 3.17Å; A106-F110 WeakPolarHBondContact O-CD2 3.32Å; A106-F110 PolarHBondContact O-N 2.69Å; A106-F192 HydrophobicContact CB-CZ 3.93Å
107	I	98.9	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-56.8	-47.4	175.1	-66.6	161.4	0	0	0	110.3	V62 V103 L105 K111 A112 A115 N136	V62-I107 HydrophobicContact CB-CG1 4.22Å; V62-I107 HydrophobicContact CG2-CG1 3.8Å; V103-I107 HydrophobicContact CG1-CD1 4.04Å; V103-I107 HydrophobicContact CG1-CG1 4.39Å; V103-I107 VanDerWaalsContact O-CG1 3.3Å; V103-I107 WeakPolarHBondContact O-CG1 3.43Å; V103-I107 PolarHBondContact O-N 3.46Å; L105-I107 VanDerWaalsContact C-N 3.33Å; L105-I107 PolarHBondContact O-N 3.45Å; I107-K111 CarbonylContact O-C 3.6Å; I107-K111 WeakPolarHBondContact O-CA 3.18Å; I107-K111 PolarHBondContact O-N 2.88Å; I107-A112 HydrophobicContact CB-CB 4.39Å; I107-A112 HydrophobicContact CG1-CB 4.42Å; I107-A112 HydrophobicContact CG2-CB 4.23Å; I107-A112 PolarHBondContact O-N 3.25Å; I107-A115 HydrophobicContact CD1-CB 3.52Å; I107-A115 HydrophobicContact CG1-CB 3.91Å; I107-N136 HydrophobicContact CD1-CB 3.88Å
108	R	98.4	Very high	98.7	Very high	85 Å²	85	21.2 Å²	21.2	32%	0.321	9%	0.094	S	C	.	.	H	α-helix	trans	-72.9	-41.1	-174.7	-67.5	176.7	66.4	72.8	4.2	112.4	S104 L105 A106 N139 Y392	S104-R108 WeakPolarHBondContact O-CG 3.39Å; S104-R108 PolarHBondContact O-N 2.85Å; L105-R108 PolarHBondContact O-N 2.86Å; L105-R108 VanDerWaalsContact O-N 3.1Å; A106-R108 VanDerWaalsContact C-N 3.29Å; A106-R108 PolarHBondContact O-N 3.25Å; R108-N139 WeakPolarHBondContact CD-O 3.27Å; R108-N139 WeakPolarHBondContact CG-O 3.09Å; R108-N139 PolarHBondContact NH1-O 2.73Å; R108-Y392 PolarHBondContact NE-O 2.87Å
109	E	98.3	Very high	98.7	Very high	67 Å²	67	21.2 Å²	21.2	31%	0.313	9%	0.094	S	C	.	.	H	α-helix	trans	-71.5	-44.8	179.5	-70.9	-169	169.3	0	0	112.2	L105 K111 Q197 R201	L105-E109 HydrophobicContact CD1-CG 3.95Å; L105-E109 WeakPolarHBondContact CD1-OE1 3.45Å; L105-E109 HydrophobicContact CG-CG 4.28Å; L105-E109 PolarHBondContact O-N 3.44Å; E109-K111 VanDerWaalsContact C-N 3.28Å; E109-K111 PolarHBondContact O-N 3.38Å; E109-Q197 WeakPolarHBondContact OE2-CG 3.31Å; E109-Q197 PolarHBondContact OE2-NE2 3.08Å; E109-R201 IonicContact OE1-CZ 3.32Å; E109-R201 IonicContact OE1-NE 3.78Å; E109-R201 PolarHBondContact OE1-NE 3.39Å; E109-R201 IonicContact OE1-NH2 2.78Å; E109-R201 PolarHBondContact OE1-NH2 2.84Å
110	F	98.5	Very high	98.6	Very high	64 Å²	64	21.2 Å²	21.2	28%	0.281	9%	0.094	S	C	.	.	H	α-helix	trans	-86.9	0.6	-179.5	-58.4	-56.6	0	0	0	113.9	K60 L91 A106 A112 F192 Q197	K60-F110 WeakPolarHBondContact CD-O 3.42Å; K60-F110 PolarHBondContact NZ-O 2.81Å; L91-F110 HydrophobicContact CD1-CB 3.46Å; L91-F110 VanDerWaalsContact CD1-CB 3.46Å; L91-F110 HydrophobicContact CD1-CD2 3.64Å; L91-F110 HydrophobicContact CD1-CG 3.67Å; A106-F110 HydrophobicContact CB-CD2 3.94Å; A106-F110 HydrophobicContact CB-CE2 4.1Å; A106-F110 VanDerWaalsContact O-CB 3.3Å; A106-F110 WeakPolarHBondContact O-CB 3.17Å; A106-F110 WeakPolarHBondContact O-CD2 3.32Å; A106-F110 PolarHBondContact O-N 2.69Å; F110-A112 VanDerWaalsContact C-N 3.31Å; F110-A112 PolarHBondContact O-N 2.72Å; F110-F192 HydrophobicContact CE2-CD2 4.18Å; F110-F192 HydrophobicContact CE2-CE1 4.36Å; F110-F192 AromaticContact CE2-CE2 3.88Å; F110-F192 HydrophobicContact CE2-CE2 3.88Å; F110-F192 AromaticContact CE2-CZ 3.98Å; F110-F192 HydrophobicContact CE2-CZ 3.98Å; F110-F192 HydrophobicContact CZ-CD2 4.34Å; F110-F192 HydrophobicContact CZ-CE2 4.44Å; F110-Q197 VanDerWaalsContact CZ-NE2 3.26Å
111	K	98.3	Very high	98.4	Very high	173 Å²	173	21.2 Å²	21.2	75%	0.752	9%	0.094	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	50.5	-177.1	-56.1	179.8	-178.1	179.5	0	111.2	I107 E109	I107-K111 CarbonylContact O-C 3.6Å; I107-K111 WeakPolarHBondContact O-CA 3.18Å; I107-K111 PolarHBondContact O-N 2.88Å; E109-K111 VanDerWaalsContact C-N 3.28Å; E109-K111 PolarHBondContact O-N 3.38Å
112	A	98.8	Very high	98.2	Very high	3 Å²	3	21.7 Å²	21.7	3%	0.025	10%	0.096	C	C	.	.			trans	-74.3	153.8	177	0	0	0	0	0	111	K60 V62 I107 F110 G114 S138	K60-A112 HydrophobicContact CD-CB 4.34Å; K60-A112 HydrophobicContact CG-CB 4.22Å; K60-A112 CarbonylContact O-C 3.5Å; K60-A112 WeakPolarHBondContact O-CA 3.27Å; K60-A112 WeakPolarHBondContact O-CB 3.44Å; V62-A112 HydrophobicContact CG2-CB 3.88Å; I107-A112 HydrophobicContact CB-CB 4.39Å; I107-A112 HydrophobicContact CG1-CB 4.42Å; I107-A112 HydrophobicContact CG2-CB 4.23Å; I107-A112 PolarHBondContact O-N 3.25Å; F110-A112 VanDerWaalsContact C-N 3.31Å; F110-A112 PolarHBondContact O-N 2.72Å; A112-G114 VanDerWaalsContact C-N 3.3Å; A112-S138 WeakPolarHBondContact O-CA 3.25Å; A112-S138 WeakPolarHBondContact O-CB 3.36Å
113	D	98.7	Very high	98	Very high	45 Å²	45	22.1 Å²	22.1	24%	0.241	10%	0.098	C	C	.	.	S	Bend	trans	-79.1	-14.7	178.8	-65.1	-65.5	0	0	0	113.2	L52 K55 A59 K60 S138	L52-D113 HydrophobicContact CD2-CB 4.46Å; K55-D113 HydrophobicContact CD-CB 4.24Å; K55-D113 WeakPolarHBondContact CD-OD1 3.4Å; K55-D113 IonicContact NZ-OD1 2.63Å; K55-D113 PolarHBondContact NZ-OD1 3.25Å; A59-D113 HydrophobicContact CB-CB 4.39Å; K60-D113 PolarHBondContact N-OD2 3.5Å; K60-D113 PolarHBondContact O-N 2.87Å; D113-S138 WeakPolarHBondContact O-CB 3.31Å; D113-S138 PolarHBondContact O-N 2.93Å
114	G	98.5	Very high	97.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.5	-170.5	175	0	0	0	0	0	112.1	I61 V62 A112 N136	I61-G114 VanDerWaalsContact CA-O 3.29Å; I61-G114 WeakPolarHBondContact CA-O 3.44Å; V62-G114 PolarHBondContact N-O 2.82Å; A112-G114 VanDerWaalsContact C-N 3.3Å; G114-N136 CarbonylContact C-O 3.58Å; G114-N136 WeakPolarHBondContact CA-O 3.37Å
115	A	98.8	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	153.7	175.1	0	0	0	0	0	114	V62 V103 I107 I117 F135 N136	V62-A115 HydrophobicContact CB-CB 3.86Å; V62-A115 CarbonylContact O-C 3.46Å; V62-A115 WeakPolarHBondContact O-CA 3.47Å; V62-A115 WeakPolarHBondContact O-CB 3.46Å; V103-A115 HydrophobicContact CG1-CB 3.46Å; V103-A115 VanDerWaalsContact CG1-CB 3.46Å; I107-A115 HydrophobicContact CD1-CB 3.52Å; I107-A115 HydrophobicContact CG1-CB 3.91Å; A115-I117 HydrophobicContact CB-CG1 4.48Å; A115-F135 WeakPolarHBondContact O-CA 3.36Å; A115-F135 WeakPolarHBondContact O-CD2 3.39Å; A115-N136 HydrophobicContact CB-CB 4.44Å; A115-N136 PolarHBondContact N-O 3.43Å; A115-N136 PolarHBondContact O-N 2.93Å
116	I	98.9	Very high	97.7	Very high	2 Å²	2	25 Å²	25	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120.5	167.7	-58	179.1	0	0	0	108.3	I47 M48 V62 V63 G64 I78 L118 I133 K134 F135	I47-I116 HydrophobicContact CG2-CD1 3.99Å; I47-I116 HydrophobicContact CG2-CG1 4.06Å; M48-I116 HydrophobicContact CE-CD1 3.7Å; V62-I116 PolarHBondContact O-N 3.43Å; V63-I116 WeakPolarHBondContact CA-O 3.39Å; G64-I116 PolarHBondContact N-O 2.81Å; I78-I116 HydrophobicContact CD1-CB 4.31Å; I78-I116 HydrophobicContact CD1-CG2 3.63Å; I78-I116 HydrophobicContact CG1-CD1 4.44Å; I78-I116 HydrophobicContact CG1-CG2 4.48Å; I78-I116 HydrophobicContact CG2-CD1 4.23Å; I116-L118 HydrophobicContact CG2-CD2 4.35Å; I116-I133 HydrophobicContact CG2-CG2 3.63Å; I116-K134 WeakPolarHBondContact CA-O 3.16Å; I116-F135 HydrophobicContact CG1-CD2 4.5Å
117	I	98.9	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.3	-176.6	-37.8	-178.4	0	0	0	109.5	G64 T100 V103 A115 T119 I133 K134 N136	G64-I117 CarbonylContact O-C 3.52Å; G64-I117 VanDerWaalsContact O-CA 3.29Å; G64-I117 WeakPolarHBondContact O-CA 3.45Å; T100-I117 HydrophobicContact CG2-CD1 3.75Å; V103-I117 HydrophobicContact CB-CD1 4Å; V103-I117 HydrophobicContact CB-CG1 4.39Å; V103-I117 HydrophobicContact CG1-CD1 3.78Å; V103-I117 HydrophobicContact CG1-CG1 3.91Å; V103-I117 HydrophobicContact CG2-CD1 4.45Å; V103-I117 HydrophobicContact CG2-CG1 4.44Å; V103-I117 HydrophobicContact CG2-CG2 4.34Å; A115-I117 HydrophobicContact CB-CG1 4.48Å; I117-T119 HydrophobicContact CB-CG2 4.45Å; I117-T119 HydrophobicContact CG2-CG2 3.84Å; I117-T119 PolarHBondContact O-N 2.75Å; I117-I133 WeakPolarHBondContact O-CA 3.43Å; I117-K134 HydrophobicContact CB-CB 4.02Å; I117-K134 HydrophobicContact CB-CD 4.45Å; I117-K134 HydrophobicContact CB-CG 4.43Å; I117-K134 HydrophobicContact CG1-CB 4.38Å; I117-K134 PolarHBondContact N-O 3.27Å; I117-K134 PolarHBondContact O-N 3.08Å; I117-N136 HydrophobicContact CD1-CB 4.46Å
118	L	98.9	Very high	97.5	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	94.8	-179.8	-58.4	-175	0	0	0	110	G64 G65 D66 V74 L75 I78 I116 F131 G132 I133	G64-L118 PolarHBondContact O-N 3.28Å; G65-L118 CarbonylContact C-O 3.57Å; G65-L118 WeakPolarHBondContact CA-O 3.27Å; D66-L118 PolarHBondContact N-O 3.13Å; V74-L118 HydrophobicContact CB-CD1 4.1Å; V74-L118 HydrophobicContact CB-CD2 4.36Å; V74-L118 HydrophobicContact CG1-CD1 4.16Å; V74-L118 HydrophobicContact CG1-CD2 3.65Å; L75-L118 HydrophobicContact CD2-CD1 3.65Å; L75-L118 HydrophobicContact CG-CD1 3.64Å; I78-L118 HydrophobicContact CD1-CD1 4.27Å; I78-L118 HydrophobicContact CD1-CD2 3.85Å; I78-L118 HydrophobicContact CD1-CG 4.29Å; I116-L118 HydrophobicContact CG2-CD2 4.35Å; L118-F131 HydrophobicContact CB-CZ 4.05Å; L118-F131 HydrophobicContact CD1-CZ 4.31Å; L118-F131 HydrophobicContact CD2-CE1 4.17Å; L118-F131 HydrophobicContact CD2-CZ 4.1Å; L118-F131 HydrophobicContact CG-CZ 4.39Å; L118-G132 CarbonylContact C-O 3.6Å; L118-G132 WeakPolarHBondContact CA-O 3.28Å; L118-I133 HydrophobicContact CD2-CG1 3.98Å
119	T	98.4	Very high	97.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	18%	0.179	C	C	.	.			trans	-168.4	150.8	-178.6	-179.3	0	0	0	0	111.6	D66 I117 S121 G132 K134 D296	D66-T119 VanDerWaalsContact OD2-CB 3.23Å; D66-T119 WeakPolarHBondContact OD2-CB 3.17Å; D66-T119 PolarHBondContact OD2-OG1 2.87Å; I117-T119 HydrophobicContact CB-CG2 4.45Å; I117-T119 HydrophobicContact CG2-CG2 3.84Å; I117-T119 PolarHBondContact O-N 2.75Å; T119-S121 PolarHBondContact OG1-N 3.13Å; T119-G132 PolarHBondContact N-O 2.89Å; T119-G132 CarbonylContact O-C 3.54Å; T119-G132 VanDerWaalsContact O-C 3.24Å; T119-G132 WeakPolarHBondContact O-CA 3.39Å; T119-K134 HydrophobicContact CG2-CD 3.68Å; T119-K134 HydrophobicContact CG2-CG 4.02Å; T119-D296 HydrophobicContact CG2-CB 4.13Å; T119-D296 WeakPolarHBondContact CG2-OD2 3.43Å; T119-D296 WeakPolarHBondContact OG1-CB 3.45Å; T119-D296 PolarHBondContact OG1-OD2 3.33Å
120	A	96.6	Very high	97.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.167	C	C	.	.			trans	-111.8	27	161.8	0	0	0	0	0	112.2	R28 R68 H122 N123 D130	R28-A120 HydrophobicContact CG-CB 4.08Å; R28-A120 PolarHBondContact NH1-O 2.86Å; R68-A120 VanDerWaalsContact NH1-CB 3.32Å; A120-H122 PolarHBondContact O-N 3.03Å; A120-N123 HydrophobicContact CB-CB 4.05Å; A120-N123 PolarHBondContact O-N 3.32Å; A120-N123 PolarHBondContact O-OD1 3.14Å; A120-D130 HydrophobicContact CB-CB 4.15Å
121	S	95.4	Very high	97.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	-124.8	-178.1	166.2	0	0	0	0	110.2	R68 T119 N123 D294	R68-S121 PolarHBondContact NH2-O 3.07Å; T119-S121 PolarHBondContact OG1-N 3.13Å; S121-N123 VanDerWaalsContact C-N 3.27Å; S121-N123 PolarHBondContact O-N 3.12Å; S121-D294 PolarHBondContact OG-OD2 2.91Å
122	H	94.6	Very high	97.2	Very high	12 Å²	12	21.5 Å²	21.5	6%	0.056	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-8	-179	68.9	-40.2	0	0	0	117	A120 H267 P268 D269 D294 R299	A120-H122 PolarHBondContact O-N 3.03Å; H122-H267 PolarHBondContact O-CE1 3.5Å; H122-H267 PolarHBondContact O-ND1 3.37Å; H122-P268 WeakPolarHBondContact CA-O 3.41Å; H122-P268 VanDerWaalsContact O-CD 3.29Å; H122-P268 WeakPolarHBondContact O-CD 3.02Å; H122-P268 WeakPolarHBondContact O-CG 3.42Å; H122-D269 HydrophobicContact CB-CB 3.7Å; H122-D269 WeakPolarHBondContact CB-OD1 3.02Å; H122-D269 VanDerWaalsContact CD2-CG 3.46Å; H122-D269 IonicContact CD2-OD1 3.05Å; H122-D269 PolarHBondContact CD2-OD1 3.26Å; H122-D269 IonicContact CD2-OD2 3.3Å; H122-D269 IonicContact CG-OD1 3.22Å; H122-D294 HydrophobicContact CB-CB 4.08Å; H122-D294 PolarHBondContact N-OD2 3.42Å; H122-R299 PolarHBondContact CD2-NH1 3.41Å; H122-R299 PolarHBondContact CE1-NH2 3.47Å; H122-R299 VanDerWaalsContact CG-CZ 3.42Å; H122-R299 VanDerWaalsContact CG-NH1 3.33Å; H122-R299 PolarHBondContact ND1-NH2 3.38Å; H122-R299 VanDerWaalsContact ND1-NH2 3.12Å; H122-R299 PolarHBondContact NE2-NH1 3.06Å; H122-R299 PolarHBondContact NE2-NH2 3.12Å
123	N	94.3	Very high	97.2	Very high	8 Å²	8	21.4 Å²	21.4	4%	0.043	12%	0.117	C	C	.	.	S	Bend	trans	-69.6	146.7	-175	-64.2	28.3	0	0	0	111.5	R68 A120 S121 D130 T514	R68-N123 PolarHBondContact NH1-O 3.04Å; A120-N123 HydrophobicContact CB-CB 4.05Å; A120-N123 PolarHBondContact O-N 3.32Å; A120-N123 PolarHBondContact O-OD1 3.14Å; S121-N123 VanDerWaalsContact C-N 3.27Å; S121-N123 PolarHBondContact O-N 3.12Å; N123-D130 HydrophobicContact CB-CB 3.86Å; N123-D130 WeakPolarHBondContact CB-OD2 3.46Å; N123-D130 PolarHBondContact ND2-OD2 3.19Å; N123-T514 PolarHBondContact ND2-O 3.18Å
124	P	95.4	Very high	97.1	Very high	48 Å²	48	19.3 Å²	19.3	31%	0.312	11%	0.106	S	C	.	.			trans	-53.8	146.5	178.9	-25.8	35.2	0	0	0	113.5	D130 H267	P124-D130 PolarHBondContact O-N 3.37Å; P124-H267 HydrophobicContact CG-CB 4.34Å; P124-H267 VanDerWaalsContact CG-CD2 3.49Å; P124-H267 WeakPolarHBondContact CG-CD2 3.48Å
125	G	96.7	Very high	97.1	Very high	12 Å²	12	20.1 Å²	20.1	12%	0.124	11%	0.109	C	C	.	.			trans	-99.8	-165.4	-179.7	0	0	0	0	0	113.5	G129	G125-G129 WeakPolarHBondContact O-CA 3.44Å
126	G	97.9	Very high	97.1	Very high	3 Å²	3	20.1 Å²	20.1	3%	0.031	11%	0.109	C	C	.	.	S	Bend	trans	82.7	177.1	177.4	0	0	0	0	0	114.1	V31 K128 G129 P261	V31-G126 WeakPolarHBondContact CG2-O 3.5Å; G126-K128 PolarHBondContact O-N 3.38Å; G126-K128 VanDerWaalsContact O-N 3.15Å; G126-G129 PolarHBondContact O-N 2.7Å; G126-P261 PolarHBondContact N-O 2.93Å; G126-P261 VanDerWaalsContact N-O 3.16Å
127	P	97	Very high	97	Very high	84 Å²	84	20.8 Å²	20.8	55%	0.545	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-22.2	-170.2	24.7	-35.1	0	0	0	114.5	Y69	Y69-P127 HydrophobicContact CD1-CB 4.43Å; Y69-P127 HydrophobicContact CE1-CB 4.09Å; Y69-P127 HydrophobicContact CE2-CB 4.2Å
128	K	95.8	Very high	96.9	Very high	210 Å²	210	23.8 Å²	23.8	91%	0.913	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.8	1	175.3	-62.8	-176.6	-179.3	179	0	113	G126	G126-K128 PolarHBondContact O-N 3.38Å; G126-K128 VanDerWaalsContact O-N 3.15Å
129	G	95.9	Very high	96.9	Very high	9 Å²	9	26 Å²	26	9%	0.093	15%	0.149	C	C	.	.	S	Bend	trans	-89.1	-159.4	179	0	0	0	0	0	112.6	P30 V31 G125 G126	P30-G129 WeakPolarHBondContact CA-O 3.39Å; V31-G129 PolarHBondContact N-O 3.12Å; G125-G129 WeakPolarHBondContact O-CA 3.44Å; G126-G129 PolarHBondContact O-N 2.7Å
130	D	96.3	Very high	96.8	Very high	14 Å²	14	25.9 Å²	25.9	8%	0.075	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	146.3	-177.3	-71	-23.7	0	0	0	112.3	R68 A120 N123 P124 S516	R68-D130 WeakPolarHBondContact CD-O 3.48Å; R68-D130 PolarHBondContact NH1-O 2.94Å; A120-D130 HydrophobicContact CB-CB 4.15Å; N123-D130 HydrophobicContact CB-CB 3.86Å; N123-D130 WeakPolarHBondContact CB-OD2 3.46Å; N123-D130 PolarHBondContact ND2-OD2 3.19Å; P124-D130 PolarHBondContact O-N 3.37Å; D130-S516 VanDerWaalsContact CG-CB 3.49Å; D130-S516 WeakPolarHBondContact OD1-CB 3.24Å; D130-S516 PolarHBondContact OD1-OG 3.3Å; D130-S516 WeakPolarHBondContact OD2-CB 3.48Å; D130-S516 PolarHBondContact OD2-OG 2.85Å
131	F	97.7	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	161.4	167.9	-162.7	-101.8	0	0	0	109.8	R28 K29 V31 Y34 R68 Y69 L70 V74 L118 I133	R28-F131 WeakPolarHBondContact CA-O 3.25Å; K29-F131 PolarHBondContact N-O 3.45Å; K29-F131 VanDerWaalsContact N-O 3.09Å; K29-F131 PolarHBondContact O-N 3.2Å; K29-F131 VanDerWaalsContact O-O 3.05Å; V31-F131 HydrophobicContact CG2-CB 4.07Å; Y34-F131 HydrophobicContact CD1-CD1 4.14Å; Y34-F131 HydrophobicContact CD2-CB 3.66Å; Y34-F131 AromaticContact CD2-CD1 4Å; Y34-F131 HydrophobicContact CD2-CD1 4Å; Y34-F131 HydrophobicContact CD2-CG 4.29Å; Y34-F131 HydrophobicContact CE1-CD1 4.22Å; Y34-F131 HydrophobicContact CE2-CB 3.82Å; Y34-F131 HydrophobicContact CE2-CD1 4.03Å; Y34-F131 HydrophobicContact CE2-CG 4.43Å; Y34-F131 WeakPolarHBondContact CE2-O 3.21Å; Y34-F131 HydrophobicContact CG-CB 4.39Å; Y34-F131 HydrophobicContact CG-CD1 4.03Å; R68-F131 HydrophobicContact CG-CD2 3.62Å; R68-F131 HydrophobicContact CG-CE2 3.7Å; Y69-F131 WeakPolarHBondContact O-CD2 3.39Å; Y69-F131 WeakPolarHBondContact O-CE2 3.23Å; L70-F131 HydrophobicContact CB-CD2 3.95Å; L70-F131 HydrophobicContact CB-CE2 4Å; L70-F131 HydrophobicContact CB-CG 4.46Å; L70-F131 HydrophobicContact CD2-CD1 4.39Å; L70-F131 HydrophobicContact CD2-CG 4.32Å; V74-F131 HydrophobicContact CB-CE1 4.09Å; V74-F131 HydrophobicContact CB-CZ 4.01Å; V74-F131 HydrophobicContact CG1-CE1 4.17Å; V74-F131 HydrophobicContact CG1-CZ 4.44Å; V74-F131 HydrophobicContact CG2-CD1 4.46Å; V74-F131 HydrophobicContact CG2-CE1 3.6Å; V74-F131 HydrophobicContact CG2-CZ 3.75Å; L118-F131 HydrophobicContact CB-CZ 4.05Å; L118-F131 HydrophobicContact CD1-CZ 4.31Å; L118-F131 HydrophobicContact CD2-CE1 4.17Å; L118-F131 HydrophobicContact CD2-CZ 4.1Å; L118-F131 HydrophobicContact CG-CZ 4.39Å; F131-I133 HydrophobicContact CD1-CG1 4.43Å; F131-I133 HydrophobicContact CE1-CG1 4.03Å
132	G	97.4	Very high	96.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	153.8	177.9	0	0	0	0	0	113.3	L27 L118 T119	L27-G132 CarbonylContact O-C 3.59Å; L27-G132 WeakPolarHBondContact O-CA 3.13Å; L118-G132 CarbonylContact C-O 3.6Å; L118-G132 WeakPolarHBondContact CA-O 3.28Å; T119-G132 PolarHBondContact N-O 2.89Å; T119-G132 CarbonylContact O-C 3.54Å; T119-G132 VanDerWaalsContact O-C 3.24Å; T119-G132 WeakPolarHBondContact O-CA 3.39Å
133	I	98.6	Very high	96.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	110.8	177.6	-56.1	-178.8	0	0	0	107.2	G26 L27 Y34 T40 F43 I44 I47 V74 I116 I117 L118 F131	G26-I133 WeakPolarHBondContact CA-O 3.29Å; L27-I133 PolarHBondContact N-O 2.93Å; L27-I133 PolarHBondContact O-N 3.12Å; Y34-I133 HydrophobicContact CD1-CD1 4.34Å; Y34-I133 HydrophobicContact CE1-CD1 3.76Å; Y34-I133 HydrophobicContact CE1-CG1 3.97Å; T40-I133 HydrophobicContact CG2-CD1 4.07Å; F43-I133 HydrophobicContact CD1-CB 4.08Å; F43-I133 HydrophobicContact CD1-CD1 4.27Å; F43-I133 HydrophobicContact CD1-CG2 4.11Å; F43-I133 HydrophobicContact CE1-CB 3.96Å; F43-I133 HydrophobicContact CE1-CG2 4Å; I44-I133 HydrophobicContact CG1-CD1 4.49Å; I47-I133 HydrophobicContact CD1-CG2 3.78Å; V74-I133 HydrophobicContact CG1-CD1 4.04Å; I116-I133 HydrophobicContact CG2-CG2 3.63Å; I117-I133 WeakPolarHBondContact O-CA 3.43Å; L118-I133 HydrophobicContact CD2-CG1 3.98Å; F131-I133 HydrophobicContact CD1-CG1 4.43Å; F131-I133 HydrophobicContact CE1-CG1 4.03Å
134	K	98	Very high	96.7	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	150.6	171.8	-46	-178	163.5	165	0	110	S25 I116 I117 T119 D296 D298	S25-K134 WeakPolarHBondContact O-CG 3.37Å; I116-K134 WeakPolarHBondContact CA-O 3.16Å; I117-K134 HydrophobicContact CB-CB 4.02Å; I117-K134 HydrophobicContact CB-CD 4.45Å; I117-K134 HydrophobicContact CB-CG 4.43Å; I117-K134 HydrophobicContact CG1-CB 4.38Å; I117-K134 PolarHBondContact N-O 3.27Å; I117-K134 PolarHBondContact O-N 3.08Å; T119-K134 HydrophobicContact CG2-CD 3.68Å; T119-K134 HydrophobicContact CG2-CG 4.02Å; K134-D296 IonicContact NZ-OD2 3.34Å; K134-D296 PolarHBondContact NZ-OD2 2.94Å; K134-D298 IonicContact NZ-OD2 3.33Å; K134-D298 PolarHBondContact NZ-OD2 3.08Å
135	F	98.2	Very high	96.4	Very high	17 Å²	17	31.3 Å²	31.3	8%	0.075	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123	167.1	-179.9	-113.1	0	0	0	109.5	I47 G51 L52 A115 I116 A143 V147 I151	I47-F135 HydrophobicContact CD1-CB 4.44Å; I47-F135 HydrophobicContact CG1-CB 4.43Å; I47-F135 HydrophobicContact CG2-CB 4.42Å; I47-F135 HydrophobicContact CG2-CD2 3.41Å; I47-F135 VanDerWaalsContact CG2-CD2 3.41Å; I47-F135 HydrophobicContact CG2-CE2 3.79Å; I47-F135 HydrophobicContact CG2-CG 3.95Å; G51-F135 VanDerWaalsContact C-CZ 3.45Å; G51-F135 VanDerWaalsContact CA-CE1 3.45Å; L52-F135 HydrophobicContact CD2-CE2 4.13Å; L52-F135 HydrophobicContact CD2-CZ 4.09Å; L52-F135 HydrophobicContact CG-CE2 4.45Å; L52-F135 HydrophobicContact CG-CZ 4.47Å; A115-F135 WeakPolarHBondContact O-CA 3.36Å; A115-F135 WeakPolarHBondContact O-CD2 3.39Å; I116-F135 HydrophobicContact CG1-CD2 4.5Å; F135-A143 HydrophobicContact CD1-CB 3.84Å; F135-A143 WeakPolarHBondContact O-CB 3.41Å; F135-A143 PolarHBondContact O-N 2.8Å; F135-A143 VanDerWaalsContact O-N 3.08Å; F135-V147 HydrophobicContact CD1-CG1 4.19Å; F135-V147 HydrophobicContact CE1-CG1 4Å; F135-I151 HydrophobicContact CD1-CD1 4Å; F135-I151 HydrophobicContact CG-CD1 4.46Å
136	N	98.4	Very high	96.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	143.8	173.4	-76.9	29.1	0	0	0	110	I107 G114 A115 I117 G140 G141	I107-N136 HydrophobicContact CD1-CB 3.88Å; G114-N136 CarbonylContact C-O 3.58Å; G114-N136 WeakPolarHBondContact CA-O 3.37Å; A115-N136 HydrophobicContact CB-CB 4.44Å; A115-N136 PolarHBondContact N-O 3.43Å; A115-N136 PolarHBondContact O-N 2.93Å; I117-N136 HydrophobicContact CD1-CB 4.46Å; N136-G140 PolarHBondContact ND2-O 2.73Å; N136-G141 CarbonylContact C-O 3.56Å; N136-G141 WeakPolarHBondContact CA-O 3.35Å; N136-G141 WeakPolarHBondContact CB-O 3.24Å; N136-G141 VanDerWaalsContact CG-C 3.47Å
137	G	97.1	Very high	95.9	Very high	17 Å²	17	35.9 Å²	35.9	18%	0.175	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	178.7	179.1	0	0	0	0	0	113.1	N139 G140 G141	G137-N139 PolarHBondContact O-N 2.9Å; G137-N139 VanDerWaalsContact O-N 3.11Å; G137-G140 PolarHBondContact O-N 2.99Å; G137-G141 PolarHBondContact N-O 2.94Å
138	S	97.5	Very high	95.7	Very high	63 Å²	63	33 Å²	33	44%	0.441	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-15	-177.4	62.8	0	0	0	0	114.8	A112 D113 G140	A112-S138 WeakPolarHBondContact O-CA 3.25Å; A112-S138 WeakPolarHBondContact O-CB 3.36Å; D113-S138 WeakPolarHBondContact O-CB 3.31Å; D113-S138 PolarHBondContact O-N 2.93Å; S138-G140 PolarHBondContact O-N 2.85Å
139	N	96.9	Very high	95.6	Very high	46 Å²	46	26.3 Å²	26.3	25%	0.246	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-10.8	172	71.3	-15.3	0	0	0	113	R108 G137 G141 D374 R394	R108-N139 WeakPolarHBondContact CD-O 3.27Å; R108-N139 WeakPolarHBondContact CG-O 3.09Å; R108-N139 PolarHBondContact NH1-O 2.73Å; G137-N139 PolarHBondContact O-N 2.9Å; G137-N139 VanDerWaalsContact O-N 3.11Å; N139-G141 PolarHBondContact OD1-N 2.99Å; N139-D374 WeakPolarHBondContact CB-OD2 3.36Å; N139-D374 PolarHBondContact ND2-OD2 3.3Å; N139-R394 WeakPolarHBondContact O-CG 3.37Å
140	G	98.1	Very high	95.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	98.8	-7.5	-178.3	0	0	0	0	0	114.4	S104 N136 G137 S138	S104-G140 WeakPolarHBondContact CA-O 3.26Å; S104-G140 VanDerWaalsContact CB-O 3.27Å; S104-G140 WeakPolarHBondContact CB-O 3.36Å; S104-G140 PolarHBondContact OG-O 3.5Å; N136-G140 PolarHBondContact ND2-O 2.73Å; G137-G140 PolarHBondContact O-N 2.99Å; S138-G140 PolarHBondContact O-N 2.85Å
141	G	97.1	Very high	95.8	Very high	3 Å²	3	31.6 Å²	31.6	3%	0.031	18%	0.178	C	C	.	.	S	Bend	trans	-106.3	171.3	-171.7	0	0	0	0	0	114.2	N136 G137 N139 A143 R394	N136-G141 CarbonylContact C-O 3.56Å; N136-G141 WeakPolarHBondContact CA-O 3.35Å; N136-G141 WeakPolarHBondContact CB-O 3.24Å; N136-G141 VanDerWaalsContact CG-C 3.47Å; G137-G141 PolarHBondContact N-O 2.94Å; N139-G141 PolarHBondContact OD1-N 2.99Å; G141-A143 PolarHBondContact O-N 2.84Å; G141-R394 WeakPolarHBondContact CA-O 3.32Å
142	P	96.4	Very high	95.7	Very high	7 Å²	7	34.2 Å²	34.2	5%	0.045	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-54.5	139.2	176.7	-25.6	34.4	0	0	0	111.7	V144 W366 R394	P142-V144 PolarHBondContact O-N 2.85Å; P142-W366 HydrophobicContact CG-CB 4.24Å; P142-R394 WeakPolarHBondContact CD-O 3.49Å
143	A	94.1	Very high	95.7	Very high	8 Å²	8	38.5 Å²	38.5	7%	0.066	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-55	136.7	179.3	0	0	0	0	0	112.7	F135 G141 V147 T148 K367	F135-A143 HydrophobicContact CD1-CB 3.84Å; F135-A143 WeakPolarHBondContact O-CB 3.41Å; F135-A143 PolarHBondContact O-N 2.8Å; F135-A143 VanDerWaalsContact O-N 3.08Å; G141-A143 PolarHBondContact O-N 2.84Å; A143-V147 HydrophobicContact CB-CB 4.16Å; A143-V147 HydrophobicContact CB-CG1 3.98Å; A143-T148 HydrophobicContact CB-CG2 3.88Å; A143-K367 PolarHBondContact O-NZ 3.11Å
144	V	90.7	Very high	95.7	Very high	72 Å²	72	40.3 Å²	40.3	44%	0.436	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-63.9	158.2	175.1	-63.2	0	0	0	0	110.9	P142 S146 V147 T148	P142-V144 PolarHBondContact O-N 2.85Å; V144-S146 WeakPolarHBondContact CG2-OG 3.43Å; V144-S146 PolarHBondContact O-N 2.86Å; V144-V147 HydrophobicContact CG2-CB 4.24Å; V144-V147 HydrophobicContact CG2-CG2 3.73Å; V144-V147 PolarHBondContact O-N 3Å; V144-T148 PolarHBondContact O-N 3.14Å; V144-T148 VanDerWaalsContact O-N 3.08Å; V144-T148 PolarHBondContact O-OG1 3.24Å
145	E	88.3	Confident	95.6	Very high	92 Å²	92	40.2 Å²	40.2	43%	0.43	22%	0.217	S	C	.	.	H	α-helix	trans	-56.6	-38.9	-173.1	-63.1	-172.8	146.6	0	0	112.7	V147 T148 E149 K367 S492	E145-V147 VanDerWaalsContact C-N 3.29Å; E145-V147 PolarHBondContact O-N 3.19Å; E145-T148 WeakPolarHBondContact CA-OG1 3.26Å; E145-T148 PolarHBondContact O-N 3.12Å; E145-T148 PolarHBondContact O-OG1 2.87Å; E145-E149 WeakPolarHBondContact O-CB 3.26Å; E145-E149 PolarHBondContact O-N 2.93Å; E145-K367 HydrophobicContact CG-CD 4.08Å; E145-S492 PolarHBondContact OE2-OG 3.42Å
146	S	90.5	Very high	95.6	Very high	75 Å²	75	42.3 Å²	42.3	52%	0.524	23%	0.231	S	C	.	.	H	α-helix	trans	-61.8	-33.9	177.6	62.7	0	0	0	0	113.2	V144 K150	V144-S146 WeakPolarHBondContact CG2-OG 3.43Å; V144-S146 PolarHBondContact O-N 2.86Å; S146-K150 VanDerWaalsContact O-CG 3.27Å; S146-K150 WeakPolarHBondContact O-CG 3.37Å; S146-K150 PolarHBondContact O-N 3.49Å
147	V	93.7	Very high	95.6	Very high	35 Å²	35	50.6 Å²	50.6	21%	0.212	26%	0.262	C	S	.	.	H	α-helix	trans	-77.3	-45.6	177.1	174.8	0	0	0	0	110.3	F135 A143 V144 E145 E149 K150 I151	F135-V147 HydrophobicContact CD1-CG1 4.19Å; F135-V147 HydrophobicContact CE1-CG1 4Å; A143-V147 HydrophobicContact CB-CB 4.16Å; A143-V147 HydrophobicContact CB-CG1 3.98Å; V144-V147 HydrophobicContact CG2-CB 4.24Å; V144-V147 HydrophobicContact CG2-CG2 3.73Å; V144-V147 PolarHBondContact O-N 3Å; E145-V147 VanDerWaalsContact C-N 3.29Å; E145-V147 PolarHBondContact O-N 3.19Å; V147-E149 VanDerWaalsContact C-N 3.28Å; V147-E149 PolarHBondContact O-N 3.36Å; V147-K150 PolarHBondContact O-N 3.27Å; V147-I151 HydrophobicContact CG1-CD1 4.15Å; V147-I151 WeakPolarHBondContact O-CG1 3.33Å; V147-I151 PolarHBondContact O-N 3Å
148	T	93.6	Very high	95.6	Very high	24 Å²	24	50.3 Å²	50.3	15%	0.147	26%	0.257	C	S	.	.	H	α-helix	trans	-63.1	-34.9	177.8	51	0	0	0	0	112.6	P22 A143 V144 E145 I151 Y152	P22-T148 HydrophobicContact CB-CG2 4.38Å; A143-T148 HydrophobicContact CB-CG2 3.88Å; V144-T148 PolarHBondContact O-N 3.14Å; V144-T148 VanDerWaalsContact O-N 3.08Å; V144-T148 PolarHBondContact O-OG1 3.24Å; E145-T148 WeakPolarHBondContact CA-OG1 3.26Å; E145-T148 PolarHBondContact O-N 3.12Å; E145-T148 PolarHBondContact O-OG1 2.87Å; T148-I151 PolarHBondContact O-N 3.01Å; T148-Y152 PolarHBondContact O-N 2.55Å
149	E	94.2	Very high	95.7	Very high	69 Å²	69	51 Å²	51	32%	0.322	26%	0.262	S	S	.	.	H	α-helix	trans	-69.9	-39.2	175.4	-172.6	59.2	-158.2	0	0	111.1	R21 E145 V147 I151 Y152 Q153	R21-E149 IonicContact CZ-OE2 2.73Å; R21-E149 IonicContact NE-OE2 3.43Å; R21-E149 IonicContact NH2-OE1 2.73Å; R21-E149 PolarHBondContact NH2-OE1 3.38Å; R21-E149 IonicContact NH2-OE2 3.15Å; R21-E149 PolarHBondContact NH2-OE2 3.39Å; E145-E149 WeakPolarHBondContact O-CB 3.26Å; E145-E149 PolarHBondContact O-N 2.93Å; V147-E149 VanDerWaalsContact C-N 3.28Å; V147-E149 PolarHBondContact O-N 3.36Å; E149-I151 VanDerWaalsContact C-N 3.33Å; E149-I151 PolarHBondContact O-N 2.98Å; E149-Y152 PolarHBondContact O-N 3.44Å; E149-Q153 HydrophobicContact CG-CG 4.26Å; E149-Q153 WeakPolarHBondContact O-CB 3.49Å; E149-Q153 VanDerWaalsContact O-CG 3.26Å; E149-Q153 WeakPolarHBondContact O-CG 3.27Å; E149-Q153 PolarHBondContact O-N 3.3Å; E149-Q153 PolarHBondContact OE1-NE2 2.87Å
150	K	96.7	Very high	95.7	Very high	132 Å²	132	53 Å²	53	57%	0.574	27%	0.27	S	S	*	.	H	α-helix	trans	-60.4	-41.7	172.6	-75.1	174	-179.8	-177.6	0	112.2	A50 S146 V147 Y152 Q153 M154	A50-K150 HydrophobicContact CB-CB 4.02Å; S146-K150 VanDerWaalsContact O-CG 3.27Å; S146-K150 WeakPolarHBondContact O-CG 3.37Å; S146-K150 PolarHBondContact O-N 3.49Å; V147-K150 PolarHBondContact O-N 3.27Å; K150-Y152 VanDerWaalsContact C-N 3.35Å; K150-Q153 PolarHBondContact O-N 3Å; K150-M154 PolarHBondContact O-N 3.39Å
151	I	97.8	Very high	95.8	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-46.8	175.2	-67.2	166.4	0	0	0	110.1	F43 C46 I47 A50 F135 V147 T148 E149 M154 S155	F43-I151 HydrophobicContact CD2-CG2 4.32Å; F43-I151 HydrophobicContact CE2-CG2 3.68Å; F43-I151 HydrophobicContact CZ-CG2 4.17Å; C46-I151 HydrophobicContact CB-CG2 4Å; I47-I151 HydrophobicContact CG1-CD1 4.28Å; I47-I151 HydrophobicContact CG1-CG2 4.39Å; A50-I151 HydrophobicContact CB-CB 4.48Å; A50-I151 HydrophobicContact CB-CG1 3.92Å; F135-I151 HydrophobicContact CD1-CD1 4Å; F135-I151 HydrophobicContact CG-CD1 4.46Å; V147-I151 HydrophobicContact CG1-CD1 4.15Å; V147-I151 WeakPolarHBondContact O-CG1 3.33Å; V147-I151 PolarHBondContact O-N 3Å; T148-I151 PolarHBondContact O-N 3.01Å; E149-I151 VanDerWaalsContact C-N 3.33Å; E149-I151 PolarHBondContact O-N 2.98Å; I151-M154 PolarHBondContact O-N 2.92Å; I151-S155 PolarHBondContact O-N 2.8Å; I151-S155 VanDerWaalsContact O-N 3.08Å
152	Y	97.1	Very high	95.8	Very high	55 Å²	55	55.7 Å²	55.7	22%	0.216	28%	0.281	C	S	.	.	H	α-helix	trans	-62.1	-48.3	177.1	172.9	-112.7	0	0	0	112.3	R21 T148 E149 K150 M154 S155 T156	R21-Y152 VanDerWaalsContact CA-CD2 3.41Å; R21-Y152 HydrophobicContact CB-CD2 3.51Å; R21-Y152 HydrophobicContact CB-CE2 3.68Å; R21-Y152 HydrophobicContact CB-CG 4Å; R21-Y152 HydrophobicContact CG-CD1 4.46Å; R21-Y152 HydrophobicContact CG-CD2 4.11Å; R21-Y152 HydrophobicContact CG-CE2 4.46Å; R21-Y152 HydrophobicContact CG-CG 4.07Å; R21-Y152 VanDerWaalsContact NE-CE1 3.29Å; T148-Y152 PolarHBondContact O-N 2.55Å; E149-Y152 PolarHBondContact O-N 3.44Å; K150-Y152 VanDerWaalsContact C-N 3.35Å; Y152-M154 PolarHBondContact O-N 3.48Å; Y152-S155 WeakPolarHBondContact O-CA 3.26Å; Y152-S155 WeakPolarHBondContact O-CB 3.45Å; Y152-S155 PolarHBondContact O-N 3.09Å; Y152-S155 PolarHBondContact O-OG 3.07Å; Y152-T156 HydrophobicContact CD2-CG2 4.41Å; Y152-T156 HydrophobicContact CE1-CG2 4.13Å; Y152-T156 HydrophobicContact CE2-CG2 3.87Å; Y152-T156 PolarHBondContact O-N 2.83Å
153	Q	97.7	Very high	95.9	Very high	91 Å²	91	56.4 Å²	56.4	43%	0.425	28%	0.284	S	S	.	.	H	α-helix	trans	-63.1	-27.3	178.5	-68	-62.3	-25.2	0	0	112.6	E149 K150 T156 R157	E149-Q153 HydrophobicContact CG-CG 4.26Å; E149-Q153 WeakPolarHBondContact O-CB 3.49Å; E149-Q153 VanDerWaalsContact O-CG 3.26Å; E149-Q153 WeakPolarHBondContact O-CG 3.27Å; E149-Q153 PolarHBondContact O-N 3.3Å; E149-Q153 PolarHBondContact OE1-NE2 2.87Å; K150-Q153 PolarHBondContact O-N 3Å; Q153-T156 PolarHBondContact O-OG1 2.98Å; Q153-R157 WeakPolarHBondContact O-CG 3.44Å
154	M	97	Very high	96.2	Very high	37 Å²	37	56.1 Å²	56.1	18%	0.182	28%	0.281	C	S	.	.	H	α-helix	trans	-69.1	-42.9	169.5	-169.1	63.7	91.3	0	0	111.5	C46 D49 A50 K150 I151 Y152 T156 R157 I158	C46-M154 HydrophobicContact CB-CB 4.15Å; C46-M154 HydrophobicContact CB-CG 4.24Å; D49-M154 HydrophobicContact CB-CE 3.74Å; A50-M154 HydrophobicContact CB-CB 4.34Å; K150-M154 PolarHBondContact O-N 3.39Å; I151-M154 PolarHBondContact O-N 2.92Å; Y152-M154 PolarHBondContact O-N 3.48Å; M154-T156 PolarHBondContact O-N 3.15Å; M154-R157 WeakPolarHBondContact O-CG 3.47Å; M154-R157 PolarHBondContact O-N 3.13Å; M154-R157 VanDerWaalsContact O-N 3.11Å; M154-R157 HydrophobicContact SD-CG 4.28Å; M154-R157 PolarHBondContact SD-NE 2.89Å; M154-R157 VanDerWaalsContact SD-NE 3.43Å; M154-R157 PolarHBondContact SD-NH2 2.97Å; M154-R157 VanDerWaalsContact SD-NH2 3.43Å; M154-I158 PolarHBondContact O-N 3.31Å
155	S	97.7	Very high	96.4	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-24.6	-179.1	74	0	0	0	0	114.1	P16 Q20 C46 I151 Y152 R157 I158	P16-S155 WeakPolarHBondContact CB-O 3.41Å; Q20-S155 VanDerWaalsContact OE1-CB 3.31Å; C46-S155 VanDerWaalsContact SG-CA 3.52Å; C46-S155 PolarHBondContact SG-N 3.33Å; C46-S155 VanDerWaalsContact SG-N 3.44Å; I151-S155 PolarHBondContact O-N 2.8Å; I151-S155 VanDerWaalsContact O-N 3.08Å; Y152-S155 WeakPolarHBondContact O-CA 3.26Å; Y152-S155 WeakPolarHBondContact O-CB 3.45Å; Y152-S155 PolarHBondContact O-N 3.09Å; Y152-S155 PolarHBondContact O-OG 3.07Å; S155-R157 VanDerWaalsContact C-N 3.32Å; S155-I158 WeakPolarHBondContact O-CG2 3.5Å
156	T	97.9	Very high	96.8	Very high	60 Å²	60	56.4 Å²	56.4	37%	0.368	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-11.8	178.8	60.1	0	0	0	0	113.6	P16 Y152 Q153 M154	P16-T156 VanDerWaalsContact CG-O 3.23Å; P16-T156 WeakPolarHBondContact CG-O 3.45Å; Y152-T156 HydrophobicContact CD2-CG2 4.41Å; Y152-T156 HydrophobicContact CE1-CG2 4.13Å; Y152-T156 HydrophobicContact CE2-CG2 3.87Å; Y152-T156 PolarHBondContact O-N 2.83Å; Q153-T156 PolarHBondContact O-OG1 2.98Å; M154-T156 PolarHBondContact O-N 3.15Å
157	R	97.1	Very high	97.2	Very high	174 Å²	174	53.4 Å²	53.4	66%	0.657	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.3	-2	-175.6	68.3	-174.6	-177.6	152.3	1.4	114.5	Q153 M154 S155 S159	Q153-R157 WeakPolarHBondContact O-CG 3.44Å; M154-R157 WeakPolarHBondContact O-CG 3.47Å; M154-R157 PolarHBondContact O-N 3.13Å; M154-R157 VanDerWaalsContact O-N 3.11Å; M154-R157 HydrophobicContact SD-CG 4.28Å; M154-R157 PolarHBondContact SD-NE 2.89Å; M154-R157 VanDerWaalsContact SD-NE 3.43Å; M154-R157 PolarHBondContact SD-NH2 2.97Å; M154-R157 VanDerWaalsContact SD-NH2 3.43Å; S155-R157 VanDerWaalsContact C-N 3.32Å; R157-S159 PolarHBondContact O-N 2.93Å
158	I	98.2	Very high	97.4	Very high	11 Å²	11	60.5 Å²	60.5	6%	0.056	29%	0.292	C	S	.	.			trans	-61	133.7	-179.3	-170	170.4	0	0	0	111.1	T14 P16 N42 Q45 M154 S155 E160	T14-I158 HydrophobicContact CG2-CD1 4.44Å; T14-I158 HydrophobicContact CG2-CG1 4.05Å; T14-I158 HydrophobicContact CG2-CG2 4.38Å; P16-I158 VanDerWaalsContact CD-O 3.28Å; P16-I158 WeakPolarHBondContact CD-O 3.22Å; N42-I158 HydrophobicContact CB-CD1 4.29Å; N42-I158 WeakPolarHBondContact OD1-CG2 3.2Å; Q45-I158 HydrophobicContact CB-CD1 4Å; Q45-I158 HydrophobicContact CG-CD1 3.94Å; M154-I158 PolarHBondContact O-N 3.31Å; S155-I158 WeakPolarHBondContact O-CG2 3.5Å; I158-E160 VanDerWaalsContact CG1-O 3.31Å; I158-E160 WeakPolarHBondContact CG1-O 3.22Å
159	S	98.1	Very high	97.6	Very high	78 Å²	78	60.3 Å²	60.3	55%	0.545	29%	0.29	S	S	.	.			trans	-123	-13.6	178.6	58.7	0	0	0	0	113.3	T14 R157	T14-S159 PolarHBondContact N-O 3.15Å; T14-S159 VanDerWaalsContact O-O 3.14Å; R157-S159 PolarHBondContact O-N 2.93Å
160	E	98.6	Very high	97.7	Very high	88 Å²	88	59.9 Å²	59.9	41%	0.411	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	161.5	176.3	61.1	-174.9	-134.1	0	0	111.8	T11 V12 I158 H162	T11-E160 HydrophobicContact CG2-CB 3.85Å; T11-E160 VanDerWaalsContact CG2-CD 3.48Å; T11-E160 HydrophobicContact CG2-CG 4.12Å; V12-E160 WeakPolarHBondContact O-CA 3.23Å; V12-E160 WeakPolarHBondContact O-CB 3.29Å; I158-E160 VanDerWaalsContact CG1-O 3.31Å; I158-E160 WeakPolarHBondContact CG1-O 3.22Å; E160-H162 IonicContact OE1-CE1 3.05Å; E160-H162 PolarHBondContact OE1-CE1 2.81Å; E160-H162 VanDerWaalsContact OE1-CE1 3.27Å; E160-H162 IonicContact OE1-NE2 3.48Å
161	Y	98.7	Very high	97.8	Very high	11 Å²	11	54.8 Å²	54.8	4%	0.043	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	161.1	165.5	62.2	-94	0	0	0	110.1	V12 T14 N38 E41 L163	V12-Y161 HydrophobicContact CB-CD1 4.37Å; V12-Y161 HydrophobicContact CB-CD2 4.12Å; V12-Y161 HydrophobicContact CB-CE1 3.91Å; V12-Y161 HydrophobicContact CB-CE2 3.61Å; V12-Y161 HydrophobicContact CB-CG 4.48Å; V12-Y161 HydrophobicContact CG1-CE1 3.86Å; V12-Y161 HydrophobicContact CG1-CE2 4.14Å; V12-Y161 WeakPolarHBondContact CG1-OH 3.38Å; V12-Y161 HydrophobicContact CG2-CD2 4.38Å; V12-Y161 HydrophobicContact CG2-CE2 3.73Å; V12-Y161 PolarHBondContact N-O 2.67Å; V12-Y161 PolarHBondContact O-N 3.32Å; T14-Y161 HydrophobicContact CG2-CD1 4.13Å; N38-Y161 HydrophobicContact CB-CE1 3.98Å; N38-Y161 WeakPolarHBondContact OD1-CE1 3.45Å; N38-Y161 PolarHBondContact OD1-OH 2.92Å; E41-Y161 HydrophobicContact CB-CD1 4.09Å; E41-Y161 HydrophobicContact CB-CD2 4.02Å; E41-Y161 HydrophobicContact CB-CE1 3.84Å; E41-Y161 HydrophobicContact CB-CE2 3.76Å; E41-Y161 HydrophobicContact CB-CG 4.17Å; E41-Y161 HydrophobicContact CG-CE2 3.95Å; Y161-L163 HydrophobicContact CD2-CD2 4.3Å; Y161-L163 HydrophobicContact CD2-CG 4.46Å; Y161-L163 HydrophobicContact CE2-CD2 3.61Å; Y161-L163 HydrophobicContact CE2-CG 4.11Å
162	H	98.7	Very high	97.7	Very high	49 Å²	49	59.9 Å²	59.9	23%	0.227	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.4	-178.5	-51.6	-76.1	0	0	0	110.6	V9 V10 T11 Q45 I81 A84 E160	V9-H162 HydrophobicContact CG1-CB 3.83Å; V10-H162 WeakPolarHBondContact O-CA 3.33Å; T11-H162 PolarHBondContact OG1-CE1 3.17Å; T11-H162 PolarHBondContact OG1-ND1 3.1Å; Q45-H162 VanDerWaalsContact OE1-N 3.16Å; I81-H162 WeakPolarHBondContact CA-O 3.25Å; A84-H162 HydrophobicContact CB-CB 3.94Å; A84-H162 WeakPolarHBondContact CB-O 3.47Å; E160-H162 IonicContact OE1-CE1 3.05Å; E160-H162 PolarHBondContact OE1-CE1 2.81Å; E160-H162 VanDerWaalsContact OE1-CE1 3.27Å; E160-H162 IonicContact OE1-NE2 3.48Å
163	L	98.6	Very high	97.7	Very high	22 Å²	22	60.3 Å²	60.3	12%	0.115	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	160.6	175.2	65.4	67.6	0	0	0	113	V10 V12 K80 I81 A84 Y161 P165	V10-L163 PolarHBondContact N-O 3.07Å; V10-L163 PolarHBondContact O-N 2.8Å; V12-L163 HydrophobicContact CG2-CG 4.41Å; K80-L163 HydrophobicContact CB-CB 4.05Å; K80-L163 WeakPolarHBondContact O-CA 3.49Å; I81-L163 HydrophobicContact CG1-CB 3.95Å; A84-L163 VanDerWaalsContact CB-CA 3.46Å; Y161-L163 HydrophobicContact CD2-CD2 4.3Å; Y161-L163 HydrophobicContact CD2-CG 4.46Å; Y161-L163 HydrophobicContact CE2-CD2 3.61Å; Y161-L163 HydrophobicContact CE2-CG 4.11Å; L163-P165 HydrophobicContact CD1-CB 3.84Å; L163-P165 HydrophobicContact CD1-CG 4.3Å; L163-P165 WeakPolarHBondContact O-CD 3.34Å
164	C	98.4	Very high	97.8	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.007	32%	0.324	C	S	.	.			trans	-99.5	98.2	169.4	-62.4	0	0	0	0	109.1	L7 K80 D166 L167	L7-C164 HydrophobicContact CB-CB 4.47Å; K80-C164 WeakPolarHBondContact CG-O 3.4Å; K80-C164 PolarHBondContact O-N 3.27Å; C164-D166 VanDerWaalsContact C-N 3.3Å; C164-D166 PolarHBondContact O-N 2.82Å; C164-L167 HydrophobicContact CB-CB 3.97Å; C164-L167 WeakPolarHBondContact O-CB 3.38Å; C164-L167 PolarHBondContact O-N 3.04Å
165	P	96.9	Very high	97.8	Very high	49 Å²	49	60.1 Å²	60.1	32%	0.318	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-35.3	-167.7	24.7	-33.5	0	0	0	113.4	V10 K80 L163 L167	V10-P165 HydrophobicContact CG2-CG 3.82Å; K80-P165 WeakPolarHBondContact CE-O 3.49Å; K80-P165 PolarHBondContact NZ-O 2.87Å; L163-P165 HydrophobicContact CD1-CB 3.84Å; L163-P165 HydrophobicContact CD1-CG 4.3Å; L163-P165 WeakPolarHBondContact O-CD 3.34Å; P165-L167 VanDerWaalsContact C-N 3.34Å
166	D	96.3	Very high	97.9	Very high	122 Å²	122	66.7 Å²	66.7	65%	0.652	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-3.9	-175.9	-56.6	-43.8	0	0	0	113.7	L7 C164 K168	L7-D166 HydrophobicContact CD2-CB 4.05Å; C164-D166 VanDerWaalsContact C-N 3.3Å; C164-D166 PolarHBondContact O-N 2.82Å; D166-K168 PolarHBondContact O-N 3.35Å
167	L	98	Very high	97.9	Very high	11 Å²	11	66.7 Å²	66.7	6%	0.058	35%	0.352	C	S	.	.			trans	-68.3	127.7	179.9	177.4	60.1	0	0	0	110.8	L7 F79 K80 A83 C164 P165 I169 V179 M187	L7-L167 HydrophobicContact CD1-CB 3.96Å; L7-L167 HydrophobicContact CD1-CD1 3.66Å; L7-L167 HydrophobicContact CD1-CG 4.33Å; F79-L167 HydrophobicContact CB-CD2 4.14Å; F79-L167 WeakPolarHBondContact O-CD2 3.37Å; K80-L167 WeakPolarHBondContact CE-O 3.39Å; K80-L167 HydrophobicContact CG-CB 4.13Å; A83-L167 HydrophobicContact CB-CD2 3.66Å; C164-L167 HydrophobicContact CB-CB 3.97Å; C164-L167 WeakPolarHBondContact O-CB 3.38Å; C164-L167 PolarHBondContact O-N 3.04Å; P165-L167 VanDerWaalsContact C-N 3.34Å; L167-I169 HydrophobicContact CD1-CD1 3.77Å; L167-I169 HydrophobicContact CD1-CG1 4.11Å; L167-I169 HydrophobicContact CD2-CG1 4.49Å; L167-I169 HydrophobicContact CG-CD1 4.41Å; L167-I169 HydrophobicContact CG-CG1 4.22Å; L167-V179 HydrophobicContact CD1-CB 4.41Å; L167-V179 HydrophobicContact CD1-CG1 3.56Å; L167-V179 HydrophobicContact CD1-CG2 3.88Å; L167-V179 HydrophobicContact CD2-CG1 4.21Å; L167-M187 HydrophobicContact CD2-CE 4.26Å
168	K	97.1	Very high	97.9	Very high	185 Å²	185	63.5 Å²	63.5	80%	0.804	34%	0.344	S	S	*	.			trans	-128.3	133.8	169.3	-63.5	-175.6	179.8	-177.7	0	109.1	D166	D166-K168 PolarHBondContact O-N 3.35Å
169	I	97.9	Very high	97.9	Very high	19 Å²	19	63.4 Å²	63.4	10%	0.097	34%	0.344	C	S	.	.			trans	-122.4	126.2	179.7	-65.7	-59	0	0	0	107.7	F79 L167 Y171 V179 V189	F79-I169 HydrophobicContact CB-CG1 4.03Å; F79-I169 HydrophobicContact CD1-CG1 4.28Å; F79-I169 HydrophobicContact CD2-CB 3.81Å; F79-I169 HydrophobicContact CD2-CG1 4.04Å; F79-I169 HydrophobicContact CD2-CG2 4.24Å; F79-I169 HydrophobicContact CE1-CG2 4.24Å; F79-I169 HydrophobicContact CE2-CB 3.97Å; F79-I169 HydrophobicContact CE2-CG2 3.96Å; F79-I169 HydrophobicContact CG-CB 4.15Å; F79-I169 HydrophobicContact CG-CG1 3.87Å; F79-I169 HydrophobicContact CZ-CB 4.42Å; F79-I169 HydrophobicContact CZ-CG2 3.95Å; L167-I169 HydrophobicContact CD1-CD1 3.77Å; L167-I169 HydrophobicContact CD1-CG1 4.11Å; L167-I169 HydrophobicContact CD2-CG1 4.49Å; L167-I169 HydrophobicContact CG-CD1 4.41Å; L167-I169 HydrophobicContact CG-CG1 4.22Å; I169-Y171 HydrophobicContact CG2-CD1 4.36Å; I169-Y171 WeakPolarHBondContact O-CD1 3.5Å; I169-V179 HydrophobicContact CD1-CG2 3.64Å; I169-V189 HydrophobicContact CD1-CB 4.44Å; I169-V189 HydrophobicContact CD1-CG2 3.79Å; I169-V189 HydrophobicContact CG1-CG2 4.23Å; I169-V189 HydrophobicContact CG2-CB 4.37Å; I169-V189 HydrophobicContact CG2-CG1 3.84Å; I169-V189 HydrophobicContact CG2-CG2 4.44Å
170	A	97.8	Very high	97.9	Very high	61 Å²	61	65.6 Å²	65.6	50%	0.504	34%	0.344	S	S	.	.			trans	-84.9	133.8	169.3	0	0	0	0	0	109.5	Q177	A170-Q177 PolarHBondContact O-NE2 3.3Å
171	Y	97.6	Very high	97.8	Very high	25 Å²	25	61.7 Å²	61.7	10%	0.098	33%	0.326	C	S	.	.			trans	-136.2	16	-179.5	52.7	-93	0	0	0	113.9	D72 L75 F79 I92 K95 I169 A173	D72-Y171 PolarHBondContact OD1-OH 3.43Å; L75-Y171 HydrophobicContact CD1-CE2 3.89Å; F79-Y171 AromaticContact CE2-CD1 3.74Å; F79-Y171 HydrophobicContact CE2-CD1 3.74Å; F79-Y171 AromaticContact CE2-CE1 3.85Å; F79-Y171 HydrophobicContact CE2-CE1 3.85Å; F79-Y171 HydrophobicContact CZ-CD1 4.1Å; I92-Y171 HydrophobicContact CD1-CG 4.44Å; K95-Y171 WeakPolarHBondContact CA-O 3.26Å; K95-Y171 PolarHBondContact N-O 2.67Å; I169-Y171 HydrophobicContact CG2-CD1 4.36Å; I169-Y171 WeakPolarHBondContact O-CD1 3.5Å; Y171-A173 VanDerWaalsContact C-N 3.34Å; Y171-A173 PolarHBondContact O-N 3.28Å
172	D	97	Very high	97.7	Very high	108 Å²	108	63.6 Å²	63.6	58%	0.578	34%	0.337	S	S	*	.	S	Bend	trans	-73.5	-24.2	-179.8	-61.6	-55.7	0	0	0	114.2	K94	K94-D172 VanDerWaalsContact CE-O 3.28Å; K94-D172 WeakPolarHBondContact CE-O 3.22Å; K94-D172 WeakPolarHBondContact CG-O 3.18Å
173	A	97.2	Very high	97.4	Very high	64 Å²	64	68.5 Å²	68.5	53%	0.529	37%	0.365	S	S	.	.	S	Bend	trans	-133.4	151	-176.6	0	0	0	0	0	111	Y171 G175 V191	Y171-A173 VanDerWaalsContact C-N 3.34Å; Y171-A173 PolarHBondContact O-N 3.28Å; A173-G175 PolarHBondContact O-N 3.01Å; A173-V191 WeakPolarHBondContact O-CB 3.43Å; A173-V191 VanDerWaalsContact O-CG1 3.28Å; A173-V191 WeakPolarHBondContact O-CG1 3.29Å
174	V	98.5	Very high	97.3	Very high	92 Å²	92	70.2 Å²	70.2	56%	0.558	38%	0.377	S	S	*	.	S	Bend	trans	-56.3	134.7	173	172.7	0	0	0	0	109.3	V191 D193	V174-V191 VanDerWaalsContact CA-O 3.31Å; V174-V191 WeakPolarHBondContact CA-O 3.49Å; V174-V191 WeakPolarHBondContact CG1-O 3.42Å; V174-D193 HydrophobicContact CG2-CB 4.21Å
175	G	98.1	Very high	97.2	Very high	32 Å²	32	72 Å²	72	33%	0.33	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	166.5	173.7	-176	0	0	0	0	0	112.8	A173 V191	A173-G175 PolarHBondContact O-N 3.01Å; G175-V191 PolarHBondContact N-O 3.24Å; G175-V191 PolarHBondContact O-N 2.87Å
176	R	98.5	Very high	97.2	Very high	138 Å²	138	73 Å²	73	52%	0.521	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.4	-176.4	-174	177.2	176.1	-80.4	-2.2	110.4	E178 V188 V189	R176-E178 IonicContact CZ-OE1 3.27Å; R176-E178 VanDerWaalsContact CZ-OE1 3.29Å; R176-E178 IonicContact NH1-OE1 3.61Å; R176-E178 PolarHBondContact NH1-OE1 3.36Å; R176-E178 IonicContact NH2-OE1 3.8Å; R176-E178 PolarHBondContact NH2-OE1 3.08Å; R176-V188 HydrophobicContact CG-CG1 3.84Å; R176-V188 VanDerWaalsContact NH2-CG2 3.27Å; R176-V189 CarbonylContact C-O 3.39Å; R176-V189 WeakPolarHBondContact CA-O 3.4Å
177	Q	98.2	Very high	97.3	Very high	61 Å²	61	67.4 Å²	67.4	29%	0.285	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.6	178	-72.3	160.6	94	0	0	109.6	A170 V188 V189	A170-Q177 PolarHBondContact O-NE2 3.3Å; Q177-V188 WeakPolarHBondContact O-CA 3.49Å; Q177-V189 PolarHBondContact N-O 3.02Å; Q177-V189 PolarHBondContact O-N 3.07Å
178	E	98.1	Very high	97.4	Very high	106 Å²	106	67.8 Å²	67.8	50%	0.495	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.6	171.8	-65.4	-169.3	172.5	0	0	110.2	R176 T186	R176-E178 IonicContact CZ-OE1 3.27Å; R176-E178 VanDerWaalsContact CZ-OE1 3.29Å; R176-E178 IonicContact NH1-OE1 3.61Å; R176-E178 PolarHBondContact NH1-OE1 3.36Å; R176-E178 IonicContact NH2-OE1 3.8Å; R176-E178 PolarHBondContact NH2-OE1 3.08Å; E178-T186 HydrophobicContact CB-CG2 4.23Å
179	V	97.4	Very high	97.4	Very high	9 Å²	9	59 Å²	59	6%	0.055	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	111.2	-177.5	-177	0	0	0	0	108.4	L7 L167 I169 V181 T186 M187 V189	L7-V179 HydrophobicContact CD1-CG1 3.52Å; L167-V179 HydrophobicContact CD1-CB 4.41Å; L167-V179 HydrophobicContact CD1-CG1 3.56Å; L167-V179 HydrophobicContact CD1-CG2 3.88Å; L167-V179 HydrophobicContact CD2-CG1 4.21Å; I169-V179 HydrophobicContact CD1-CG2 3.64Å; V179-V181 HydrophobicContact CG1-CG2 4.1Å; V179-T186 CarbonylContact O-C 3.56Å; V179-T186 VanDerWaalsContact O-CA 3.31Å; V179-T186 WeakPolarHBondContact O-CA 3.13Å; V179-M187 HydrophobicContact CB-CB 4.36Å; V179-M187 HydrophobicContact CB-CE 4.48Å; V179-M187 WeakPolarHBondContact CB-O 3.44Å; V179-M187 HydrophobicContact CG2-CE 4.3Å; V179-M187 PolarHBondContact N-O 3.1Å; V179-M187 PolarHBondContact O-N 2.95Å; V179-V189 HydrophobicContact CG2-CG2 4.4Å
180	K	97.8	Very high	97.5	Very high	124 Å²	124	61.3 Å²	61.3	54%	0.539	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.7	177.5	-65.8	177.4	-177.9	170.7	0	109.9	K6 L7 T186	K6-K180 HydrophobicContact CG-CB 4.46Å; L7-K180 PolarHBondContact N-O 2.9Å; K180-T186 HydrophobicContact CG-CG2 4.43Å
181	V	97.9	Very high	97.5	Very high	6 Å²	6	58.5 Å²	58.5	4%	0.036	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.1	179.9	-175.3	0	0	0	0	109.3	V9 A83 V179 N183 V184 G185	V9-V181 HydrophobicContact CG2-CG1 3.54Å; A83-V181 HydrophobicContact CB-CG2 3.98Å; V179-V181 HydrophobicContact CG1-CG2 4.1Å; V181-N183 PolarHBondContact O-N 2.71Å; V181-V184 HydrophobicContact CB-CB 3.98Å; V181-V184 HydrophobicContact CG1-CB 3.77Å; V181-V184 HydrophobicContact CG1-CG2 3.8Å; V181-V184 PolarHBondContact O-N 3.34Å; V181-G185 PolarHBondContact N-O 3.3Å; V181-G185 PolarHBondContact O-N 2.91Å; V181-G185 VanDerWaalsContact O-N 3.14Å
182	D	95.2	Very high	97.6	Very high	51 Å²	51	58.1 Å²	58.1	27%	0.273	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	134.8	-177.1	-163.5	33.5	0	0	0	111.4	K6 L7 V184	K6-D182 HydrophobicContact CB-CB 3.82Å; K6-D182 HydrophobicContact CD-CB 4.21Å; K6-D182 WeakPolarHBondContact CD-OD1 3.41Å; K6-D182 IonicContact NZ-OD1 3.58Å; L7-D182 PolarHBondContact O-N 3.28Å; D182-V184 PolarHBondContact O-N 3.46Å
183	N	93.4	Very high	97.7	Very high	152 Å²	152	56 Å²	56	81%	0.813	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	12.7	-176	-52.8	-54.6	0	0	0	116.3	V181	V181-N183 PolarHBondContact O-N 2.71Å
184	V	96.6	Very high	97.7	Very high	59 Å²	59	53 Å²	53	36%	0.358	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-53.4	177.5	178.3	0	0	0	0	111.7	V9 V181 D182	V9-V184 HydrophobicContact CG2-CG2 3.75Å; V181-V184 HydrophobicContact CB-CB 3.98Å; V181-V184 HydrophobicContact CG1-CB 3.77Å; V181-V184 HydrophobicContact CG1-CG2 3.8Å; V181-V184 PolarHBondContact O-N 3.34Å; D182-V184 PolarHBondContact O-N 3.46Å
185	G	95.5	Very high	97.8	Very high	39 Å²	39	49.9 Å²	49.9	40%	0.402	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	142.1	-158.7	-177.3	0	0	0	0	0	113.5	V181	V181-G185 PolarHBondContact N-O 3.3Å; V181-G185 PolarHBondContact O-N 2.91Å; V181-G185 VanDerWaalsContact O-N 3.14Å
186	T	97.9	Very high	97.8	Very high	70 Å²	70	50.6 Å²	50.6	43%	0.429	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.8	176.6	-56.9	0	0	0	0	109.6	E178 V179 K180	E178-T186 HydrophobicContact CB-CG2 4.23Å; V179-T186 CarbonylContact O-C 3.56Å; V179-T186 VanDerWaalsContact O-CA 3.31Å; V179-T186 WeakPolarHBondContact O-CA 3.13Å; K180-T186 HydrophobicContact CG-CG2 4.43Å
187	M	98.5	Very high	97.8	Very high	3 Å²	3	45 Å²	45	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.8	168.3	-177.8	178.3	73.5	0	0	108.9	A82 A83 V87 G88 I90 L167 V179 V189	A82-M187 HydrophobicContact CB-SD 4.16Å; A83-M187 HydrophobicContact CB-CE 3.66Å; A83-M187 HydrophobicContact CB-SD 4.08Å; V87-M187 HydrophobicContact CB-SD 4.33Å; V87-M187 HydrophobicContact CG1-SD 4.44Å; V87-M187 VanDerWaalsContact O-CB 3.26Å; V87-M187 WeakPolarHBondContact O-CB 3.24Å; V87-M187 WeakPolarHBondContact O-CG 3.44Å; G88-M187 WeakPolarHBondContact O-CA 3.49Å; I90-M187 HydrophobicContact CD1-CE 4.03Å; I90-M187 HydrophobicContact CD1-SD 3.57Å; I90-M187 VanDerWaalsContact CD1-SD 3.57Å; I90-M187 HydrophobicContact CG1-SD 3.97Å; L167-M187 HydrophobicContact CD2-CE 4.26Å; V179-M187 HydrophobicContact CB-CB 4.36Å; V179-M187 HydrophobicContact CB-CE 4.48Å; V179-M187 WeakPolarHBondContact CB-O 3.44Å; V179-M187 HydrophobicContact CG2-CE 4.3Å; V179-M187 PolarHBondContact N-O 3.1Å; V179-M187 PolarHBondContact O-N 2.95Å; M187-V189 HydrophobicContact CE-CG2 3.81Å
188	V	98.7	Very high	97.8	Very high	19 Å²	19	42.1 Å²	42.1	12%	0.115	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	132.7	171	180	0	0	0	0	108.6	G88 H89 I90 R176 Q177	G88-V188 PolarHBondContact O-N 3.33Å; H89-V188 CarbonylContact C-O 3.57Å; H89-V188 VanDerWaalsContact CA-O 3.27Å; H89-V188 WeakPolarHBondContact CA-O 3.24Å; H89-V188 PolarHBondContact CD2-O 3.47Å; I90-V188 PolarHBondContact N-O 3.31Å; R176-V188 HydrophobicContact CG-CG1 3.84Å; R176-V188 VanDerWaalsContact NH2-CG2 3.27Å; Q177-V188 WeakPolarHBondContact O-CA 3.49Å
189	V	98.8	Very high	97.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.1	165.8	-172.4	0	0	0	0	108.5	F79 I90 I92 I169 R176 Q177 V179 M187	F79-V189 HydrophobicContact CE1-CG1 4.26Å; I90-V189 HydrophobicContact CB-CG1 4.47Å; I90-V189 HydrophobicContact CB-CG2 4.49Å; I90-V189 CarbonylContact O-C 3.54Å; I90-V189 WeakPolarHBondContact O-CA 3.3Å; I92-V189 HydrophobicContact CG2-CG1 4.13Å; I169-V189 HydrophobicContact CD1-CB 4.44Å; I169-V189 HydrophobicContact CD1-CG2 3.79Å; I169-V189 HydrophobicContact CG1-CG2 4.23Å; I169-V189 HydrophobicContact CG2-CB 4.37Å; I169-V189 HydrophobicContact CG2-CG1 3.84Å; I169-V189 HydrophobicContact CG2-CG2 4.44Å; R176-V189 CarbonylContact C-O 3.39Å; R176-V189 WeakPolarHBondContact CA-O 3.4Å; Q177-V189 PolarHBondContact N-O 3.02Å; Q177-V189 PolarHBondContact O-N 3.07Å; V179-V189 HydrophobicContact CG2-CG2 4.4Å; M187-V189 HydrophobicContact CE-CG2 3.81Å
190	E	98.8	Very high	97.9	Very high	68 Å²	68	40.2 Å²	40.2	32%	0.318	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	113.8	179.4	-176	172.4	165.7	0	0	109.6	H89 I90 L91 I92	H89-E190 IonicContact CE1-OE2 2.91Å; H89-E190 PolarHBondContact CE1-OE2 3.09Å; H89-E190 WeakPolarHBondContact NE2-CB 3.41Å; H89-E190 IonicContact NE2-OE2 3.29Å; H89-E190 PolarHBondContact NE2-OE2 3.02Å; I90-E190 PolarHBondContact O-N 3.43Å; L91-E190 WeakPolarHBondContact CA-O 3.4Å; L91-E190 HydrophobicContact CD2-CB 3.96Å; L91-E190 HydrophobicContact CD2-CG 4.1Å; I92-E190 PolarHBondContact N-O 3.47Å
191	V	98.9	Very high	98	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	123.5	175.1	-171.4	0	0	0	0	107.5	I92 K94 A173 V174 G175	I92-V191 HydrophobicContact CG2-CB 4.33Å; I92-V191 HydrophobicContact CG2-CG2 3.86Å; I92-V191 CarbonylContact O-C 3.45Å; I92-V191 VanDerWaalsContact O-CA 3.27Å; I92-V191 WeakPolarHBondContact O-CA 3.17Å; K94-V191 HydrophobicContact CB-CG1 4.5Å; A173-V191 WeakPolarHBondContact O-CB 3.43Å; A173-V191 VanDerWaalsContact O-CG1 3.28Å; A173-V191 WeakPolarHBondContact O-CG1 3.29Å; V174-V191 VanDerWaalsContact CA-O 3.31Å; V174-V191 WeakPolarHBondContact CA-O 3.49Å; V174-V191 WeakPolarHBondContact CG1-O 3.42Å; G175-V191 PolarHBondContact N-O 3.24Å; G175-V191 PolarHBondContact O-N 2.87Å
192	F	98.7	Very high	98	Very high	17 Å²	17	37.2 Å²	37.2	8%	0.075	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	166	-177.4	72.5	-80.5	0	0	0	111.8	L91 I92 K94 M98 A106 F110 S194 Q197	L91-F192 HydrophobicContact CB-CD1 4.34Å; L91-F192 HydrophobicContact CB-CE1 3.97Å; L91-F192 HydrophobicContact CD2-CD1 4.34Å; I92-F192 VanDerWaalsContact O-CD1 3.23Å; I92-F192 WeakPolarHBondContact O-CD1 3.38Å; I92-F192 PolarHBondContact O-N 3.34Å; K94-F192 PolarHBondContact N-O 3.08Å; M98-F192 HydrophobicContact CE-CE1 4.48Å; M98-F192 HydrophobicContact CE-CE2 4.45Å; M98-F192 HydrophobicContact CE-CZ 3.67Å; M98-F192 HydrophobicContact SD-CZ 4.23Å; A106-F192 HydrophobicContact CB-CZ 3.93Å; F110-F192 HydrophobicContact CE2-CD2 4.18Å; F110-F192 HydrophobicContact CE2-CE1 4.36Å; F110-F192 AromaticContact CE2-CE2 3.88Å; F110-F192 HydrophobicContact CE2-CE2 3.88Å; F110-F192 AromaticContact CE2-CZ 3.98Å; F110-F192 HydrophobicContact CE2-CZ 3.98Å; F110-F192 HydrophobicContact CZ-CD2 4.34Å; F110-F192 HydrophobicContact CZ-CE2 4.44Å; F192-S194 PolarHBondContact O-N 2.93Å; F192-Q197 VanDerWaalsContact CE2-OE1 3.25Å
193	D	98.6	Very high	98.1	Very high	64 Å²	64	38.4 Å²	38.4	34%	0.342	21%	0.213	S	C	.	.			trans	-85.1	89.9	176.8	-170.8	-10.7	0	0	0	110.6	V174 V195 S196 Q197	V174-D193 HydrophobicContact CG2-CB 4.21Å; D193-V195 VanDerWaalsContact C-N 3.25Å; D193-V195 PolarHBondContact O-N 3.12Å; D193-V195 WeakPolarHBondContact OD1-CB 3.47Å; D193-V195 PolarHBondContact OD1-N 3.01Å; D193-V195 VanDerWaalsContact OD1-N 3.1Å; D193-S196 VanDerWaalsContact CG-CB 3.47Å; D193-S196 VanDerWaalsContact CG-OG 3.22Å; D193-S196 PolarHBondContact OD1-N 2.97Å; D193-S196 WeakPolarHBondContact OD2-CB 3.35Å; D193-S196 PolarHBondContact OD2-OG 3.39Å; D193-Q197 PolarHBondContact O-N 3.5Å; D193-Q197 VanDerWaalsContact O-N 3.09Å
194	S	98.6	Very high	98.2	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.014	20%	0.204	C	C	.	.	H	α-helix	trans	-63.8	-29.2	177	48.6	0	0	0	0	113.2	L97 F192 Y198 Y238	L97-S194 PolarHBondContact O-OG 2.86Å; L97-S194 VanDerWaalsContact O-OG 3.12Å; F192-S194 PolarHBondContact O-N 2.93Å; S194-Y198 VanDerWaalsContact O-CB 3.28Å; S194-Y198 WeakPolarHBondContact O-CB 3.22Å; S194-Y198 PolarHBondContact O-N 2.87Å; S194-Y198 VanDerWaalsContact O-N 3.08Å; S194-Y238 WeakPolarHBondContact CB-OH 3.25Å; S194-Y238 PolarHBondContact OG-OH 2.97Å
195	V	98.8	Very high	98.2	Very high	26 Å²	26	34.8 Å²	34.8	16%	0.158	19%	0.188	C	C	.	.	H	α-helix	trans	-69.7	-50.4	178.9	177.1	0	0	0	0	109.8	D193 Y198 A199 P237 Y238 A241	D193-V195 VanDerWaalsContact C-N 3.25Å; D193-V195 PolarHBondContact O-N 3.12Å; D193-V195 WeakPolarHBondContact OD1-CB 3.47Å; D193-V195 PolarHBondContact OD1-N 3.01Å; D193-V195 VanDerWaalsContact OD1-N 3.1Å; V195-Y198 PolarHBondContact O-N 3.46Å; V195-A199 VanDerWaalsContact O-CB 3.3Å; V195-A199 WeakPolarHBondContact O-CB 3.27Å; V195-A199 PolarHBondContact O-N 2.96Å; V195-P237 HydrophobicContact CG2-CB 3.88Å; V195-Y238 HydrophobicContact CB-CD1 4.49Å; V195-Y238 HydrophobicContact CB-CE1 4.4Å; V195-Y238 HydrophobicContact CG1-CD1 4.48Å; V195-Y238 HydrophobicContact CG2-CD1 4.36Å; V195-Y238 HydrophobicContact CG2-CD2 4.11Å; V195-Y238 HydrophobicContact CG2-CE1 4.11Å; V195-Y238 HydrophobicContact CG2-CE2 3.81Å; V195-Y238 HydrophobicContact CG2-CG 4.35Å; V195-A241 HydrophobicContact CG1-CB 3.6Å
196	S	98.7	Very high	98.3	Very high	46 Å²	46	33.4 Å²	33.4	32%	0.322	17%	0.171	S	C	.	.	H	α-helix	trans	-63.2	-44.8	178.2	-67	0	0	0	0	111.9	D193 Y198 A199 D200	D193-S196 VanDerWaalsContact CG-CB 3.47Å; D193-S196 VanDerWaalsContact CG-OG 3.22Å; D193-S196 PolarHBondContact OD1-N 2.97Å; D193-S196 WeakPolarHBondContact OD2-CB 3.35Å; D193-S196 PolarHBondContact OD2-OG 3.39Å; S196-Y198 PolarHBondContact O-N 3.48Å; S196-A199 PolarHBondContact O-N 3.34Å; S196-D200 WeakPolarHBondContact O-CB 3.27Å; S196-D200 PolarHBondContact O-N 3.24Å
197	Q	98.7	Very high	98.3	Very high	21 Å²	21	32.8 Å²	32.8	10%	0.098	17%	0.165	C	C	.	.	H	α-helix	trans	-54.7	-50.6	175.4	178.8	-170	44.9	0	0	111.7	L105 E109 F110 F192 D193 D200 R201	L105-Q197 HydrophobicContact CD2-CG 4.28Å; E109-Q197 WeakPolarHBondContact OE2-CG 3.31Å; E109-Q197 PolarHBondContact OE2-NE2 3.08Å; F110-Q197 VanDerWaalsContact CZ-NE2 3.26Å; F192-Q197 VanDerWaalsContact CE2-OE1 3.25Å; D193-Q197 PolarHBondContact O-N 3.5Å; D193-Q197 VanDerWaalsContact O-N 3.09Å; Q197-D200 PolarHBondContact O-N 2.86Å; Q197-R201 PolarHBondContact O-N 3.11Å; Q197-R201 VanDerWaalsContact O-N 3.13Å
198	Y	98.9	Very high	98.3	Very high	1 Å²	1	33 Å²	33	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-66	-42.9	-178.1	-179	-85.8	0	0	0	111.7	P101 L105 S194 V195 S196 D200 R201 M202 Y238 I242 D397 I399	P101-Y198 HydrophobicContact CB-CE2 4.33Å; L105-Y198 HydrophobicContact CD2-CD2 4.02Å; S194-Y198 VanDerWaalsContact O-CB 3.28Å; S194-Y198 WeakPolarHBondContact O-CB 3.22Å; S194-Y198 PolarHBondContact O-N 2.87Å; S194-Y198 VanDerWaalsContact O-N 3.08Å; V195-Y198 PolarHBondContact O-N 3.46Å; S196-Y198 PolarHBondContact O-N 3.48Å; Y198-D200 PolarHBondContact O-N 2.88Å; Y198-R201 WeakPolarHBondContact O-CB 3.5Å; Y198-R201 PolarHBondContact O-N 2.91Å; Y198-M202 HydrophobicContact CD1-CG 3.93Å; Y198-M202 HydrophobicContact CE1-CE 4.26Å; Y198-M202 HydrophobicContact CE1-CG 3.4Å; Y198-M202 HydrophobicContact CE1-SD 4Å; Y198-M202 HydrophobicContact CE2-CE 4.03Å; Y198-M202 WeakPolarHBondContact O-CG 3.44Å; Y198-M202 PolarHBondContact O-N 3.19Å; Y198-M202 PolarHBondContact OH-SD 3.2Å; Y198-Y238 AromaticContact CD1-CD1 3.69Å; Y198-Y238 HydrophobicContact CD1-CD1 3.69Å; Y198-Y238 HydrophobicContact CD1-CE1 4.38Å; Y198-Y238 AromaticContact CG-CD1 3.85Å; Y198-Y238 HydrophobicContact CG-CD1 3.85Å; Y198-Y238 HydrophobicContact CG-CE1 4.08Å; Y198-I242 HydrophobicContact CD1-CD1 3.88Å; Y198-I242 HydrophobicContact CE1-CD1 3.77Å; Y198-D397 WeakPolarHBondContact CE2-OD2 3.4Å; Y198-D397 PolarHBondContact OH-OD1 3.17Å; Y198-D397 PolarHBondContact OH-OD2 3.27Å; Y198-I399 HydrophobicContact CE1-CB 4.19Å; Y198-I399 HydrophobicContact CE1-CD1 4.32Å; Y198-I399 HydrophobicContact CE1-CG2 4.03Å
199	A	98.9	Very high	98.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.3	-39.4	178.8	0	0	0	0	0	112.2	V195 S196 R201 M202 E203 I242 R246	V195-A199 VanDerWaalsContact O-CB 3.3Å; V195-A199 WeakPolarHBondContact O-CB 3.27Å; V195-A199 PolarHBondContact O-N 2.96Å; S196-A199 PolarHBondContact O-N 3.34Å; A199-R201 VanDerWaalsContact C-N 3.3Å; A199-R201 PolarHBondContact O-N 2.98Å; A199-M202 PolarHBondContact O-N 3.38Å; A199-E203 PolarHBondContact O-N 3.14Å; A199-I242 HydrophobicContact CB-CD1 4.29Å; A199-I242 HydrophobicContact CB-CG1 3.68Å; A199-R246 VanDerWaalsContact CB-CZ 3.45Å; A199-R246 PolarHBondContact O-NH1 3.34Å
200	D	98.8	Very high	98.3	Very high	75 Å²	75	43.3 Å²	43.3	40%	0.401	21%	0.205	S	C	.	.	H	α-helix	trans	-59.5	-42.6	172.9	-71.4	-15.9	0	0	0	111.4	S196 Q197 Y198 E203 Q204 R246	S196-D200 WeakPolarHBondContact O-CB 3.27Å; S196-D200 PolarHBondContact O-N 3.24Å; Q197-D200 PolarHBondContact O-N 2.86Å; Y198-D200 PolarHBondContact O-N 2.88Å; D200-E203 PolarHBondContact O-N 3.14Å; D200-Q204 VanDerWaalsContact O-CG 3.28Å; D200-Q204 WeakPolarHBondContact O-CG 3.2Å; D200-Q204 PolarHBondContact O-N 2.85Å; D200-R246 IonicContact OD1-CZ 3.73Å; D200-R246 IonicContact OD1-NH1 2.73Å; D200-R246 PolarHBondContact OD1-NH1 3.16Å; D200-R246 IonicContact OD1-NH2 3.18Å; D200-R246 PolarHBondContact OD1-NH2 3.09Å
201	R	98.4	Very high	98.3	Very high	67 Å²	67	40.1 Å²	40.1	25%	0.253	19%	0.19	S	C	.	.	H	α-helix	trans	-63.5	-42.4	176	178.8	59.3	67.8	149.6	-1.9	111.9	L105 E109 Q197 Y198 A199 E203 Q204 M205 Y392	L105-R201 HydrophobicContact CD1-CB 4.43Å; L105-R201 HydrophobicContact CD1-CG 3.87Å; L105-R201 HydrophobicContact CD2-CB 3.8Å; L105-R201 HydrophobicContact CD2-CG 4.03Å; E109-R201 IonicContact OE1-CZ 3.32Å; E109-R201 IonicContact OE1-NE 3.78Å; E109-R201 PolarHBondContact OE1-NE 3.39Å; E109-R201 IonicContact OE1-NH2 2.78Å; E109-R201 PolarHBondContact OE1-NH2 2.84Å; Q197-R201 PolarHBondContact O-N 3.11Å; Q197-R201 VanDerWaalsContact O-N 3.13Å; Y198-R201 WeakPolarHBondContact O-CB 3.5Å; Y198-R201 PolarHBondContact O-N 2.91Å; A199-R201 VanDerWaalsContact C-N 3.3Å; A199-R201 PolarHBondContact O-N 2.98Å; R201-E203 VanDerWaalsContact C-N 3.34Å; R201-E203 PolarHBondContact O-N 3.02Å; R201-Q204 PolarHBondContact O-N 2.94Å; R201-M205 HydrophobicContact CG-SD 3.92Å; R201-M205 VanDerWaalsContact O-CG 3.3Å; R201-M205 WeakPolarHBondContact O-CG 3.32Å; R201-M205 PolarHBondContact O-N 2.85Å; R201-M205 VanDerWaalsContact O-N 3.13Å; R201-Y392 HydrophobicContact CG-CD2 4.18Å; R201-Y392 HydrophobicContact CG-CE2 4.07Å
202	M	98.6	Very high	98.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.7	-41.9	177.3	-69.6	-55.4	101.7	0	0	111.7	Y198 A199 Q204 M205 F206 F208 I242 Y392 W400 L403	Y198-M202 HydrophobicContact CD1-CG 3.93Å; Y198-M202 HydrophobicContact CE1-CE 4.26Å; Y198-M202 HydrophobicContact CE1-CG 3.4Å; Y198-M202 HydrophobicContact CE1-SD 4Å; Y198-M202 HydrophobicContact CE2-CE 4.03Å; Y198-M202 WeakPolarHBondContact O-CG 3.44Å; Y198-M202 PolarHBondContact O-N 3.19Å; Y198-M202 PolarHBondContact OH-SD 3.2Å; A199-M202 PolarHBondContact O-N 3.38Å; M202-Q204 VanDerWaalsContact C-N 3.3Å; M202-Q204 PolarHBondContact O-N 3Å; M202-M205 HydrophobicContact CE-SD 3.93Å; M202-M205 PolarHBondContact O-N 2.99Å; M202-M205 VanDerWaalsContact O-N 3.13Å; M202-F206 WeakPolarHBondContact O-CD2 3.42Å; M202-F206 PolarHBondContact O-N 2.72Å; M202-F206 HydrophobicContact SD-CD2 4.46Å; M202-F206 HydrophobicContact SD-CE2 3.96Å; M202-F208 HydrophobicContact CB-CE2 4.5Å; M202-F208 HydrophobicContact CB-CZ 4.19Å; M202-I242 HydrophobicContact CB-CD1 4.25Å; M202-I242 HydrophobicContact CG-CD1 3.88Å; M202-Y392 HydrophobicContact CE-CE2 3.78Å; M202-Y392 VanDerWaalsContact CE-OH 3.31Å; M202-Y392 WeakPolarHBondContact CE-OH 3.21Å; M202-W400 HydrophobicContact SD-CB 4.18Å; M202-L403 HydrophobicContact CB-CD1 3.78Å; M202-L403 HydrophobicContact CG-CD1 3.84Å; M202-L403 HydrophobicContact SD-CD1 3.88Å
203	E	97.7	Very high	98.3	Very high	76 Å²	76	44.1 Å²	44.1	36%	0.355	21%	0.209	S	C	.	.	H	α-helix	trans	-66.2	-30	177.4	-173.7	160.4	-155.4	0	0	113.2	A199 D200 R201 F206 F208 R246	A199-E203 PolarHBondContact O-N 3.14Å; D200-E203 PolarHBondContact O-N 3.14Å; R201-E203 VanDerWaalsContact C-N 3.34Å; R201-E203 PolarHBondContact O-N 3.02Å; E203-F206 VanDerWaalsContact O-O 3.06Å; E203-F208 HydrophobicContact CB-CD1 3.89Å; E203-F208 HydrophobicContact CB-CD2 4.35Å; E203-F208 HydrophobicContact CB-CE1 3.75Å; E203-F208 HydrophobicContact CB-CE2 4.23Å; E203-F208 HydrophobicContact CB-CG 4.2Å; E203-F208 HydrophobicContact CB-CZ 3.92Å; E203-F208 HydrophobicContact CG-CB 4.23Å; E203-F208 HydrophobicContact CG-CD1 3.63Å; E203-F208 HydrophobicContact CG-CD2 4.36Å; E203-F208 HydrophobicContact CG-CE1 4.03Å; E203-F208 HydrophobicContact CG-CG 3.82Å; E203-R246 IonicContact OE2-CZ 2.63Å; E203-R246 IonicContact OE2-NH1 3Å; E203-R246 PolarHBondContact OE2-NH1 2.85Å
204	Q	96	Very high	98.3	Very high	130 Å²	130	41.1 Å²	41.1	61%	0.607	19%	0.193	S	C	*	.	H	α-helix	trans	-73.3	-29	172	-69.9	168	20.7	0	0	113.2	D200 R201 M202	D200-Q204 VanDerWaalsContact O-CG 3.28Å; D200-Q204 WeakPolarHBondContact O-CG 3.2Å; D200-Q204 PolarHBondContact O-N 2.85Å; R201-Q204 PolarHBondContact O-N 2.94Å; M202-Q204 VanDerWaalsContact C-N 3.3Å; M202-Q204 PolarHBondContact O-N 3Å
205	M	96.5	Very high	98.2	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.025	20%	0.196	C	C	.	.	H	α-helix	trans	-87.9	-28.5	-174.3	-73.5	179.1	68.5	0	0	113.7	R201 M202 Y328 Y392	R201-M205 HydrophobicContact CG-SD 3.92Å; R201-M205 VanDerWaalsContact O-CG 3.3Å; R201-M205 WeakPolarHBondContact O-CG 3.32Å; R201-M205 PolarHBondContact O-N 2.85Å; R201-M205 VanDerWaalsContact O-N 3.13Å; M202-M205 HydrophobicContact CE-SD 3.93Å; M202-M205 PolarHBondContact O-N 2.99Å; M202-M205 VanDerWaalsContact O-N 3.13Å; M205-Y328 HydrophobicContact CE-CD1 4.28Å; M205-Y328 HydrophobicContact CE-CD2 3.97Å; M205-Y328 HydrophobicContact CE-CE2 4.37Å; M205-Y328 HydrophobicContact CE-CG 3.92Å; M205-Y328 HydrophobicContact CG-CD2 4.06Å; M205-Y328 HydrophobicContact CG-CG 4.5Å; M205-Y392 HydrophobicContact CE-CD1 3.52Å; M205-Y392 HydrophobicContact CE-CD2 3.96Å; M205-Y392 HydrophobicContact CE-CE1 3.83Å; M205-Y392 HydrophobicContact CE-CE2 4.31Å; M205-Y392 HydrophobicContact CE-CG 3.53Å; M205-Y392 HydrophobicContact SD-CD1 4.17Å; M205-Y392 HydrophobicContact SD-CD2 3.47Å; M205-Y392 WeakPolarHBondContact SD-CD2 3.28Å; M205-Y392 HydrophobicContact SD-CE1 4.31Å; M205-Y392 HydrophobicContact SD-CE2 3.72Å; M205-Y392 HydrophobicContact SD-CG 3.71Å
206	F	97.6	Very high	98.2	Very high	9 Å²	9	44.1 Å²	44.1	4%	0.039	21%	0.214	C	C	.	.	S	Bend	trans	-118	154.9	-176.6	-63.5	-74.4	0	0	0	111.9	M202 E203 F208 L211 W400 L403 A404 T407	M202-F206 WeakPolarHBondContact O-CD2 3.42Å; M202-F206 PolarHBondContact O-N 2.72Å; M202-F206 HydrophobicContact SD-CD2 4.46Å; M202-F206 HydrophobicContact SD-CE2 3.96Å; E203-F206 VanDerWaalsContact O-O 3.06Å; F206-F208 HydrophobicContact CB-CD2 4.04Å; F206-F208 HydrophobicContact CB-CE2 4.03Å; F206-F208 PolarHBondContact O-N 3.29Å; F206-L211 HydrophobicContact CB-CD1 4.3Å; F206-W400 AromaticContact CE2-CD1 3.57Å; F206-W400 HydrophobicContact CE2-CG 4.28Å; F206-W400 AromaticContact CE2-NE1 3.94Å; F206-W400 AromaticContact CZ-CD1 3.44Å; F206-W400 VanDerWaalsContact CZ-CD1 3.44Å; F206-W400 HydrophobicContact CZ-CD2 4.36Å; F206-W400 AromaticContact CZ-CE2 4Å; F206-W400 HydrophobicContact CZ-CG 4.01Å; F206-W400 AromaticContact CZ-NE1 3.41Å; F206-W400 WeakPolarHBondContact CZ-O 3.48Å; F206-L403 HydrophobicContact CD1-CB 4.39Å; F206-L403 HydrophobicContact CD2-CB 3.76Å; F206-L403 HydrophobicContact CD2-CD1 3.81Å; F206-L403 HydrophobicContact CD2-CG 4.42Å; F206-L403 HydrophobicContact CE1-CB 4.19Å; F206-L403 HydrophobicContact CE2-CB 3.51Å; F206-L403 HydrophobicContact CE2-CD1 3.84Å; F206-L403 HydrophobicContact CE2-CG 4.35Å; F206-L403 HydrophobicContact CG-CB 4.19Å; F206-L403 HydrophobicContact CZ-CB 3.73Å; F206-A404 HydrophobicContact CE1-CB 3.96Å; F206-A404 HydrophobicContact CZ-CB 4.12Å; F206-T407 VanDerWaalsContact CD1-OG1 3.31Å; F206-T407 WeakPolarHBondContact CD1-OG1 3.35Å
207	D	97.6	Very high	98.1	Very high	58 Å²	58	42.2 Å²	42.2	31%	0.31	20%	0.202	S	C	.	.			trans	-81	87.2	174.2	-171.9	-16.6	0	0	0	110.5	R209 L210 L211 P327	D207-R209 PolarHBondContact O-N 3.13Å; D207-R209 VanDerWaalsContact O-N 3.16Å; D207-R209 WeakPolarHBondContact OD1-CB 3.43Å; D207-R209 PolarHBondContact OD1-N 2.97Å; D207-L210 HydrophobicContact CB-CB 3.9Å; D207-L210 WeakPolarHBondContact O-CB 3.27Å; D207-L210 PolarHBondContact O-N 2.88Å; D207-L210 PolarHBondContact OD1-N 3.02Å; D207-L210 VanDerWaalsContact OD1-N 3.09Å; D207-L211 WeakPolarHBondContact O-CG 3.48Å; D207-L211 PolarHBondContact O-N 3.32Å; D207-P327 HydrophobicContact CB-CG 4.39Å
208	F	98.4	Very high	98.1	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.035	23%	0.234	C	C	.	.	H	α-helix	trans	-62.2	-21.9	-179.8	-88.2	-144.6	0	0	0	113.1	M202 E203 F206 L211 K212 I242 R246 L247	M202-F208 HydrophobicContact CB-CE2 4.5Å; M202-F208 HydrophobicContact CB-CZ 4.19Å; E203-F208 HydrophobicContact CB-CD1 3.89Å; E203-F208 HydrophobicContact CB-CD2 4.35Å; E203-F208 HydrophobicContact CB-CE1 3.75Å; E203-F208 HydrophobicContact CB-CE2 4.23Å; E203-F208 HydrophobicContact CB-CG 4.2Å; E203-F208 HydrophobicContact CB-CZ 3.92Å; E203-F208 HydrophobicContact CG-CB 4.23Å; E203-F208 HydrophobicContact CG-CD1 3.63Å; E203-F208 HydrophobicContact CG-CD2 4.36Å; E203-F208 HydrophobicContact CG-CE1 4.03Å; E203-F208 HydrophobicContact CG-CG 3.82Å; F206-F208 HydrophobicContact CB-CD2 4.04Å; F206-F208 HydrophobicContact CB-CE2 4.03Å; F206-F208 PolarHBondContact O-N 3.29Å; F208-L211 HydrophobicContact CD2-CD1 4.32Å; F208-K212 VanDerWaalsContact O-CB 3.28Å; F208-K212 WeakPolarHBondContact O-CB 3.47Å; F208-K212 WeakPolarHBondContact O-CD 2.66Å; F208-K212 WeakPolarHBondContact O-CG 3.36Å; F208-K212 PolarHBondContact O-N 2.88Å; F208-I242 HydrophobicContact CE1-CG2 4.44Å; F208-I242 HydrophobicContact CZ-CG2 4.01Å; F208-R246 HydrophobicContact CD1-CB 4.16Å; F208-R246 HydrophobicContact CE1-CB 3.87Å; F208-L247 HydrophobicContact CB-CD2 4.03Å; F208-L247 HydrophobicContact CD1-CD2 3.59Å; F208-L247 HydrophobicContact CD1-CG 4.17Å; F208-L247 HydrophobicContact CD2-CD2 4.12Å; F208-L247 HydrophobicContact CE1-CD2 4.01Å; F208-L247 HydrophobicContact CE1-CG 4.13Å; F208-L247 HydrophobicContact CE2-CD2 4.49Å; F208-L247 HydrophobicContact CG-CD2 3.64Å; F208-L247 HydrophobicContact CZ-CD2 4.45Å
209	R	98.4	Very high	98.1	Very high	200 Å²	200	51.3 Å²	51.3	76%	0.755	25%	0.246	S	C	*	.	H	α-helix	trans	-71	-42.9	173.6	-62.2	-177.5	-64.5	173.9	-1.2	110.7	D207 K212 S213	D207-R209 PolarHBondContact O-N 3.13Å; D207-R209 VanDerWaalsContact O-N 3.16Å; D207-R209 WeakPolarHBondContact OD1-CB 3.43Å; D207-R209 PolarHBondContact OD1-N 2.97Å; R209-K212 PolarHBondContact O-N 3.38Å; R209-S213 PolarHBondContact O-N 2.73Å
210	L	98.5	Very high	98	Very high	34 Å²	34	54.3 Å²	54.3	18%	0.178	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-42.6	173.7	178.9	64.4	0	0	0	111.5	D207 S213 L214 L219 A410	D207-L210 HydrophobicContact CB-CB 3.9Å; D207-L210 WeakPolarHBondContact O-CB 3.27Å; D207-L210 PolarHBondContact O-N 2.88Å; D207-L210 PolarHBondContact OD1-N 3.02Å; D207-L210 VanDerWaalsContact OD1-N 3.09Å; L210-S213 PolarHBondContact O-N 2.73Å; L210-S213 PolarHBondContact O-OG 2.85Å; L210-L214 PolarHBondContact O-N 2.93Å; L210-L219 HydrophobicContact CD1-CD1 4.25Å; L210-L219 HydrophobicContact CD1-CD2 3.79Å; L210-A410 HydrophobicContact CD1-CB 4.01Å; L210-A410 HydrophobicContact CD2-CB 3.87Å; L210-A410 HydrophobicContact CG-CB 3.65Å
211	L	98.7	Very high	97.8	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-66.2	-41.5	178.3	-59.8	-169.2	0	0	0	111.6	F206 D207 F208 S213 L214 L215 L247 L403 L406 A410	F206-L211 HydrophobicContact CB-CD1 4.3Å; D207-L211 WeakPolarHBondContact O-CG 3.48Å; D207-L211 PolarHBondContact O-N 3.32Å; F208-L211 HydrophobicContact CD2-CD1 4.32Å; L211-S213 VanDerWaalsContact C-N 3.34Å; L211-S213 PolarHBondContact O-N 3.32Å; L211-L214 WeakPolarHBondContact O-CB 3.43Å; L211-L214 PolarHBondContact O-N 2.96Å; L211-L215 WeakPolarHBondContact O-CG 2.95Å; L211-L215 PolarHBondContact O-N 2.84Å; L211-L247 HydrophobicContact CB-CD2 3.73Å; L211-L247 HydrophobicContact CD1-CD1 4.37Å; L211-L247 HydrophobicContact CD1-CD2 4.42Å; L211-L403 HydrophobicContact CD1-CD2 4.05Å; L211-L406 HydrophobicContact CD1-CB 4.48Å; L211-L406 HydrophobicContact CD2-CB 3.83Å; L211-A410 HydrophobicContact CD2-CB 4.44Å
212	K	98.7	Very high	97.7	Very high	87 Å²	87	56.5 Å²	56.5	38%	0.378	29%	0.294	S	S	.	.	H	α-helix	trans	-58.7	-43	172.3	-78.5	169	178.5	-177.6	0	112.4	F208 R209 L214 L215 S216 R246 L247	F208-K212 VanDerWaalsContact O-CB 3.28Å; F208-K212 WeakPolarHBondContact O-CB 3.47Å; F208-K212 WeakPolarHBondContact O-CD 2.66Å; F208-K212 WeakPolarHBondContact O-CG 3.36Å; F208-K212 PolarHBondContact O-N 2.88Å; R209-K212 PolarHBondContact O-N 3.38Å; K212-L214 VanDerWaalsContact C-N 3.32Å; K212-L214 PolarHBondContact O-N 2.82Å; K212-L215 PolarHBondContact O-N 2.76Å; K212-S216 VanDerWaalsContact O-CB 3.31Å; K212-S216 WeakPolarHBondContact O-CB 3.33Å; K212-S216 PolarHBondContact O-N 2.79Å; K212-S216 PolarHBondContact O-OG 3.32Å; K212-R246 WeakPolarHBondContact CE-O 3.42Å; K212-R246 PolarHBondContact NZ-O 3.18Å; K212-L247 HydrophobicContact CG-CD2 4.22Å
213	S	98.6	Very high	97.4	Very high	16 Å²	16	58.8 Å²	58.8	11%	0.112	31%	0.313	C	S	.	.	H	α-helix	trans	-68.5	-33	179.9	71.8	0	0	0	0	112	R209 L210 L211 S216 G217 Q218 L219	R209-S213 PolarHBondContact O-N 2.73Å; L210-S213 PolarHBondContact O-N 2.73Å; L210-S213 PolarHBondContact O-OG 2.85Å; L211-S213 VanDerWaalsContact C-N 3.34Å; L211-S213 PolarHBondContact O-N 3.32Å; S213-S216 PolarHBondContact O-OG 2.78Å; S213-G217 CarbonylContact O-C 3.59Å; S213-G217 PolarHBondContact O-N 2.85Å; S213-Q218 PolarHBondContact O-N 3.18Å; S213-L219 WeakPolarHBondContact O-CB 3.13Å; S213-L219 PolarHBondContact O-N 2.93Å
214	L	98.5	Very high	97.5	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-62.7	-56	169	177.6	67.8	0	0	0	111.4	L210 L211 K212 S216 G217 L219 T220 F224 L406 L409 A410	L210-L214 PolarHBondContact O-N 2.93Å; L211-L214 WeakPolarHBondContact O-CB 3.43Å; L211-L214 PolarHBondContact O-N 2.96Å; K212-L214 VanDerWaalsContact C-N 3.32Å; K212-L214 PolarHBondContact O-N 2.82Å; L214-S216 PolarHBondContact O-N 2.96Å; L214-G217 PolarHBondContact O-N 2.96Å; L214-G217 VanDerWaalsContact O-N 3.08Å; L214-L219 HydrophobicContact CB-CD2 4.11Å; L214-L219 HydrophobicContact CD1-CD2 4.35Å; L214-T220 HydrophobicContact CD1-CG2 4.2Å; L214-F224 HydrophobicContact CD1-CB 4.01Å; L214-F224 HydrophobicContact CD1-CD2 3.97Å; L214-F224 HydrophobicContact CD1-CG 3.96Å; L214-F224 HydrophobicContact CD2-CD1 4.15Å; L214-F224 HydrophobicContact CD2-CE1 4.46Å; L214-F224 HydrophobicContact CD2-CG 4.31Å; L214-F224 HydrophobicContact CG-CB 3.9Å; L214-F224 HydrophobicContact CG-CD1 4.22Å; L214-F224 HydrophobicContact CG-CD2 4.44Å; L214-F224 HydrophobicContact CG-CG 3.94Å; L214-F224 VanDerWaalsContact O-CB 3.25Å; L214-F224 WeakPolarHBondContact O-CB 3.37Å; L214-L406 HydrophobicContact CD2-CD2 4.46Å; L214-L409 HydrophobicContact CD2-CB 4.18Å; L214-A410 HydrophobicContact CB-CB 4.17Å; L214-A410 HydrophobicContact CD2-CB 4Å; L214-A410 HydrophobicContact CG-CB 4.5Å
215	L	98.4	Very high	97.5	Very high	14 Å²	14	55.2 Å²	55.2	7%	0.073	29%	0.291	C	S	.	.	H	α-helix	trans	-64.4	-42.7	-173.6	-64.1	-175.6	0	0	0	112.8	L211 K212 G217 A223 F224 V226 L247 A249 L406	L211-L215 WeakPolarHBondContact O-CG 2.95Å; L211-L215 PolarHBondContact O-N 2.84Å; K212-L215 PolarHBondContact O-N 2.76Å; L215-G217 PolarHBondContact O-N 3.13Å; L215-A223 WeakPolarHBondContact O-CA 3.31Å; L215-F224 HydrophobicContact CD2-CD1 4.14Å; L215-F224 PolarHBondContact O-N 3.46Å; L215-F224 VanDerWaalsContact O-N 3.14Å; L215-V226 HydrophobicContact CD2-CG1 3.63Å; L215-L247 HydrophobicContact CD1-CB 3.83Å; L215-L247 HydrophobicContact CD1-CD1 4.43Å; L215-A249 HydrophobicContact CD1-CB 4.29Å; L215-L406 HydrophobicContact CD2-CD1 4.43Å
216	S	97.8	Very high	97.6	Very high	76 Å²	76	55 Å²	55	53%	0.531	29%	0.291	S	S	.	.	H	α-helix	trans	-68.4	-18.1	175.6	60.7	0	0	0	0	113.5	K212 S213 L214 Q218	K212-S216 VanDerWaalsContact O-CB 3.31Å; K212-S216 WeakPolarHBondContact O-CB 3.33Å; K212-S216 PolarHBondContact O-N 2.79Å; K212-S216 PolarHBondContact O-OG 3.32Å; S213-S216 PolarHBondContact O-OG 2.78Å; L214-S216 PolarHBondContact O-N 2.96Å; S216-Q218 VanDerWaalsContact C-N 3.32Å; S216-Q218 PolarHBondContact OG-N 2.72Å
217	G	97.7	Very high	97.7	Very high	7 Å²	7	54.6 Å²	54.6	7%	0.072	29%	0.289	C	S	.	.	S	Bend	trans	83.8	2	-174.4	0	0	0	0	0	114.4	S213 L214 L215 L219 T220 G221 K222	S213-G217 CarbonylContact O-C 3.59Å; S213-G217 PolarHBondContact O-N 2.85Å; L214-G217 PolarHBondContact O-N 2.96Å; L214-G217 VanDerWaalsContact O-N 3.08Å; L215-G217 PolarHBondContact O-N 3.13Å; G217-L219 PolarHBondContact O-N 3.47Å; G217-T220 PolarHBondContact O-N 3.44Å; G217-G221 CarbonylContact O-C 3.56Å; G217-G221 VanDerWaalsContact O-CA 3.25Å; G217-G221 WeakPolarHBondContact O-CA 3.4Å; G217-G221 PolarHBondContact O-N 3.13Å; G217-K222 WeakPolarHBondContact CA-O 3.45Å
218	Q	98.1	Very high	97.7	Very high	165 Å²	165	51.9 Å²	51.9	77%	0.771	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-34.7	173.1	-178.9	-174.9	-16.7	0	0	112	S213 S216	S213-Q218 PolarHBondContact O-N 3.18Å; S216-Q218 VanDerWaalsContact C-N 3.32Å; S216-Q218 PolarHBondContact OG-N 2.72Å
219	L	97.9	Very high	97.7	Very high	48 Å²	48	51.7 Å²	51.7	25%	0.251	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-35.8	-177	-174.8	61.4	0	0	0	113.5	L210 S213 L214 G217 A410	L210-L219 HydrophobicContact CD1-CD1 4.25Å; L210-L219 HydrophobicContact CD1-CD2 3.79Å; S213-L219 WeakPolarHBondContact O-CB 3.13Å; S213-L219 PolarHBondContact O-N 2.93Å; L214-L219 HydrophobicContact CB-CD2 4.11Å; L214-L219 HydrophobicContact CD1-CD2 4.35Å; G217-L219 PolarHBondContact O-N 3.47Å; L219-A410 HydrophobicContact CD2-CB 3.94Å; L219-A410 WeakPolarHBondContact CD2-O 3.45Å
220	T	96.5	Very high	97.8	Very high	62 Å²	62	42.2 Å²	42.2	38%	0.38	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-5.2	-167.9	58.1	0	0	0	0	113.7	L214 G217 K222 Q413	L214-T220 HydrophobicContact CD1-CG2 4.2Å; G217-T220 PolarHBondContact O-N 3.44Å; T220-K222 VanDerWaalsContact C-N 3.26Å; T220-K222 PolarHBondContact O-N 3.02Å; T220-K222 PolarHBondContact OG1-O 3.35Å; T220-Q413 HydrophobicContact CG2-CB 4.42Å; T220-Q413 HydrophobicContact CG2-CG 4.29Å
221	G	96.1	Very high	97.7	Very high	78 Å²	78	41.1 Å²	41.1	80%	0.804	23%	0.232	S	C	*	.	S	Bend	trans	80.4	-3.8	-173.2	0	0	0	0	0	114.8	G217	G217-G221 CarbonylContact O-C 3.56Å; G217-G221 VanDerWaalsContact O-CA 3.25Å; G217-G221 WeakPolarHBondContact O-CA 3.4Å; G217-G221 PolarHBondContact O-N 3.13Å
222	K	94.9	Very high	97.7	Very high	110 Å²	110	42.2 Å²	42.2	48%	0.478	24%	0.237	S	C	.	.	S	Bend	trans	-137.1	128.6	179.1	-178.5	-162.3	172.7	-154.5	0	109.6	G217 T220 F224 D288	G217-K222 WeakPolarHBondContact CA-O 3.45Å; T220-K222 VanDerWaalsContact C-N 3.26Å; T220-K222 PolarHBondContact O-N 3.02Å; T220-K222 PolarHBondContact OG1-O 3.35Å; K222-F224 PolarHBondContact O-N 3.34Å; K222-D288 IonicContact NZ-OD1 2.91Å; K222-D288 PolarHBondContact NZ-OD1 3.02Å
223	A	93.8	Very high	97.7	Very high	49 Å²	49	38.1 Å²	38.1	41%	0.405	22%	0.219	S	C	.	.			trans	-54.8	126.4	174.8	0	0	0	0	0	111	L215	L215-A223 WeakPolarHBondContact O-CA 3.31Å
224	F	98	Very high	97.7	Very high	26 Å²	26	37.3 Å²	37.3	11%	0.114	21%	0.214	C	C	.	.			trans	-89.6	112.2	-179	-167.4	-91	0	0	0	109.6	L214 L215 K222 V226 D288 F289 L406 L409	L214-F224 HydrophobicContact CD1-CB 4.01Å; L214-F224 HydrophobicContact CD1-CD2 3.97Å; L214-F224 HydrophobicContact CD1-CG 3.96Å; L214-F224 HydrophobicContact CD2-CD1 4.15Å; L214-F224 HydrophobicContact CD2-CE1 4.46Å; L214-F224 HydrophobicContact CD2-CG 4.31Å; L214-F224 HydrophobicContact CG-CB 3.9Å; L214-F224 HydrophobicContact CG-CD1 4.22Å; L214-F224 HydrophobicContact CG-CD2 4.44Å; L214-F224 HydrophobicContact CG-CG 3.94Å; L214-F224 VanDerWaalsContact O-CB 3.25Å; L214-F224 WeakPolarHBondContact O-CB 3.37Å; L215-F224 HydrophobicContact CD2-CD1 4.14Å; L215-F224 PolarHBondContact O-N 3.46Å; L215-F224 VanDerWaalsContact O-N 3.14Å; K222-F224 PolarHBondContact O-N 3.34Å; F224-V226 HydrophobicContact CD1-CG1 4.23Å; F224-V226 HydrophobicContact CE1-CG1 4.36Å; F224-D288 HydrophobicContact CD1-CB 4.42Å; F224-D288 HydrophobicContact CD2-CB 3.82Å; F224-D288 HydrophobicContact CE1-CB 4.17Å; F224-D288 HydrophobicContact CE2-CB 3.52Å; F224-D288 HydrophobicContact CG-CB 4.27Å; F224-D288 HydrophobicContact CZ-CB 3.7Å; F224-F289 HydrophobicContact CE1-CB 3.51Å; F224-F289 HydrophobicContact CE1-CG 4.42Å; F224-F289 HydrophobicContact CZ-CB 3.85Å; F224-L406 HydrophobicContact CE1-CD2 4.08Å; F224-L409 HydrophobicContact CE1-CD1 4.16Å; F224-L409 HydrophobicContact CZ-CD1 3.87Å; F224-L409 HydrophobicContact CZ-CD2 4.26Å; F224-L409 HydrophobicContact CZ-CG 4.48Å
225	R	97.4	Very high	97.7	Very high	104 Å²	104	37.2 Å²	37.2	39%	0.392	21%	0.214	S	C	.	.			trans	-93	111.2	-170.7	-73	177.3	-98.2	172.9	-18.9	110.6	L286 H287 D288 F289	R225-L286 VanDerWaalsContact CD-O 3.29Å; R225-L286 WeakPolarHBondContact CD-O 3.37Å; R225-L286 PolarHBondContact NE-O 2.86Å; R225-L286 PolarHBondContact NH1-O 2.87Å; R225-H287 HydrophobicContact CB-CB 4.46Å; R225-H287 CarbonylContact O-C 3.39Å; R225-D288 PolarHBondContact N-OD2 2.9Å; R225-D288 PolarHBondContact O-N 2.91Å; R225-F289 PolarHBondContact O-N 3.34Å
226	V	98.6	Very high	97.8	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	152.5	170.9	-60.7	0	0	0	0	110.6	L215 F224 A249 N253 F254 F289 L406	L215-V226 HydrophobicContact CD2-CG1 3.63Å; F224-V226 HydrophobicContact CD1-CG1 4.23Å; F224-V226 HydrophobicContact CE1-CG1 4.36Å; V226-A249 HydrophobicContact CG2-CB 4.01Å; V226-N253 WeakPolarHBondContact O-CB 3.33Å; V226-N253 VanDerWaalsContact O-CG 3.24Å; V226-N253 PolarHBondContact O-ND2 3.19Å; V226-F254 HydrophobicContact CG2-CE1 4.45Å; V226-F289 CarbonylContact C-O 3.55Å; V226-F289 VanDerWaalsContact CA-O 3.23Å; V226-F289 WeakPolarHBondContact CA-O 3.49Å; V226-F289 HydrophobicContact CB-CD1 4.3Å; V226-F289 HydrophobicContact CG1-CB 4.4Å; V226-F289 HydrophobicContact CG1-CD1 3.95Å; V226-L406 HydrophobicContact CG1-CD1 4.47Å; V226-L406 HydrophobicContact CG1-CD2 4.03Å
227	L	98.7	Very high	97.8	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	117.1	168.1	180	61	0	0	0	108.7	N253 R255 L278 E281 M282 H287 F289 G290 A291	L227-N253 VanDerWaalsContact CA-O 3.32Å; L227-N253 WeakPolarHBondContact CA-O 3.3Å; L227-N253 WeakPolarHBondContact CD1-O 3.36Å; L227-R255 HydrophobicContact CD1-CG 4.1Å; L227-L278 HydrophobicContact CB-CD1 4.24Å; L227-L278 HydrophobicContact CD2-CD1 3.56Å; L227-L278 HydrophobicContact CG-CD1 3.58Å; L227-E281 HydrophobicContact CD2-CB 3.52Å; L227-E281 HydrophobicContact CD2-CG 4.35Å; L227-M282 HydrophobicContact CB-SD 4.03Å; L227-M282 HydrophobicContact CD2-SD 4.1Å; L227-H287 HydrophobicContact CB-CB 4.1Å; L227-F289 PolarHBondContact N-O 2.83Å; L227-G290 CarbonylContact O-C 3.53Å; L227-G290 VanDerWaalsContact O-CA 3.22Å; L227-G290 WeakPolarHBondContact O-CA 3.2Å; L227-A291 PolarHBondContact O-N 3.26Å
228	I	98.8	Very high	97.9	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125	-173.4	-55.5	-179.4	0	0	0	110.1	V239 Y243 N253 F254 R255 A291 F293	I228-V239 HydrophobicContact CB-CG1 4.11Å; I228-V239 HydrophobicContact CD1-CG1 4.2Å; I228-V239 HydrophobicContact CG2-CG1 3.7Å; I228-V239 HydrophobicContact CG2-CG2 3.96Å; I228-Y243 HydrophobicContact CD1-CD1 3.52Å; I228-Y243 HydrophobicContact CD1-CD2 3.45Å; I228-Y243 VanDerWaalsContact CD1-CD2 3.45Å; I228-Y243 HydrophobicContact CD1-CE1 3.57Å; I228-Y243 HydrophobicContact CD1-CE2 3.5Å; I228-Y243 VanDerWaalsContact CD1-CE2 3.5Å; I228-Y243 HydrophobicContact CD1-CG 3.45Å; I228-Y243 VanDerWaalsContact CD1-CG 3.45Å; I228-N253 PolarHBondContact N-O 2.79Å; I228-F254 HydrophobicContact CB-CD1 3.8Å; I228-F254 HydrophobicContact CB-CE1 4.26Å; I228-F254 HydrophobicContact CD1-CD1 4.43Å; I228-F254 HydrophobicContact CD1-CE1 4.03Å; I228-F254 HydrophobicContact CG1-CD1 4.23Å; I228-F254 HydrophobicContact CG1-CE1 4.22Å; I228-F254 CarbonylContact O-C 3.6Å; I228-F254 VanDerWaalsContact O-CA 3.27Å; I228-F254 WeakPolarHBondContact O-CA 3.17Å; I228-R255 PolarHBondContact O-N 3.25Å; I228-A291 WeakPolarHBondContact CA-O 3.47Å; I228-F293 HydrophobicContact CG2-CD2 4.21Å; I228-F293 HydrophobicContact CG2-CE2 3.47Å; I228-F293 VanDerWaalsContact CG2-CE2 3.47Å; I228-F293 HydrophobicContact CG2-CZ 4.24Å
229	D	98.7	Very high	97.9	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.027	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.5	176.1	-159.4	-27.6	0	0	0	110.7	L231 R255 H256 L278 A291 A292 F293	D229-L231 VanDerWaalsContact C-N 3.31Å; D229-L231 HydrophobicContact CB-CD2 4.43Å; D229-L231 WeakPolarHBondContact OD1-CA 3.4Å; D229-L231 PolarHBondContact OD1-N 3.04Å; D229-R255 HydrophobicContact CB-CB 4.11Å; D229-H256 WeakPolarHBondContact OD1-CB 3.43Å; D229-H256 IonicContact OD1-CG 3.07Å; D229-H256 IonicContact OD1-ND1 2.6Å; D229-H256 PolarHBondContact OD1-ND1 3.33Å; D229-H256 IonicContact OD2-CE1 2.6Å; D229-H256 IonicContact OD2-ND1 2.78Å; D229-H256 PolarHBondContact OD2-ND1 2.96Å; D229-H256 VanDerWaalsContact OD2-ND1 3.14Å; D229-L278 HydrophobicContact CB-CB 4.47Å; D229-L278 HydrophobicContact CB-CD2 4.36Å; D229-A291 PolarHBondContact N-O 3.17Å; D229-A292 HydrophobicContact CB-CB 4.35Å; D229-A292 VanDerWaalsContact O-CA 3.23Å; D229-A292 WeakPolarHBondContact O-CA 3.34Å; D229-F293 PolarHBondContact O-N 3.01Å
230	S	98.6	Very high	97.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.154	C	C	.	.			trans	-87	-2	176.6	-77	0	0	0	0	113.2	H232 G233 T235 G236 R255 H256	S230-H232 PolarHBondContact O-N 2.99Å; S230-H232 VanDerWaalsContact O-N 3.11Å; S230-G233 WeakPolarHBondContact O-CA 3.44Å; S230-G233 PolarHBondContact O-N 3.16Å; S230-T235 WeakPolarHBondContact CB-OG1 3.46Å; S230-T235 PolarHBondContact OG-OG1 3.06Å; S230-G236 WeakPolarHBondContact OG-CA 3.42Å; S230-G236 PolarHBondContact OG-N 3.1Å; S230-R255 PolarHBondContact N-O 2.91Å; S230-R255 VanDerWaalsContact N-O 3.1Å; S230-H256 WeakPolarHBondContact CB-O 3.27Å
231	L	98.2	Very high	98	Very high	12 Å²	12	23.2 Å²	23.2	6%	0.063	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	36.3	179.5	-57.7	-179	0	0	0	113.4	D229 G233 P268 P270 A275 F293	D229-L231 VanDerWaalsContact C-N 3.31Å; D229-L231 HydrophobicContact CB-CD2 4.43Å; D229-L231 WeakPolarHBondContact OD1-CA 3.4Å; D229-L231 PolarHBondContact OD1-N 3.04Å; L231-G233 PolarHBondContact O-N 3.16Å; L231-P268 HydrophobicContact CB-CB 4.4Å; L231-P270 HydrophobicContact CD1-CB 4.49Å; L231-A275 HydrophobicContact CD2-CB 4.47Å; L231-F293 WeakPolarHBondContact CD1-O 3.31Å
232	H	98.5	Very high	98.2	Very high	24 Å²	24	19.5 Å²	19.5	11%	0.111	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	14.7	-173.1	-65.3	-61.8	0	0	0	114.9	S230 H256 N258 T259 L260 F263	S230-H232 PolarHBondContact O-N 2.99Å; S230-H232 VanDerWaalsContact O-N 3.11Å; H232-H256 WeakPolarHBondContact CA-O 3.49Å; H232-H256 AromaticContact CD2-CD2 3.9Å; H232-H256 AromaticContact CD2-CG 3.95Å; H232-H256 AromaticContact CE1-CD2 3.55Å; H232-H256 AromaticContact CE1-CG 3.92Å; H232-H256 PolarHBondContact N-O 3.12Å; H232-H256 AromaticContact NE2-CD2 3.14Å; H232-H256 PolarHBondContact NE2-CD2 3.45Å; H232-H256 AromaticContact NE2-CG 3.61Å; H232-N258 WeakPolarHBondContact CA-O 3.24Å; H232-N258 PolarHBondContact CE1-ND2 3.22Å; H232-N258 PolarHBondContact CE1-OD1 3.1Å; H232-N258 PolarHBondContact ND1-ND2 2.94Å; H232-N258 PolarHBondContact ND1-O 2.9Å; H232-N258 PolarHBondContact ND1-OD1 2.79Å; H232-N258 VanDerWaalsContact ND1-OD1 3.14Å; H232-T259 WeakPolarHBondContact O-CA 3.46Å; H232-L260 HydrophobicContact CB-CB 4.15Å; H232-L260 HydrophobicContact CB-CD1 4.4Å; H232-L260 HydrophobicContact CB-CG 4.32Å; H232-L260 PolarHBondContact O-N 3.33Å; H232-F263 HydrophobicContact CB-CB 4.28Å
233	G	98.5	Very high	98.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-77.1	179.4	174.8	0	0	0	0	0	113.2	S230 L231 T235 G236 T259 G295	S230-G233 WeakPolarHBondContact O-CA 3.44Å; S230-G233 PolarHBondContact O-N 3.16Å; L231-G233 PolarHBondContact O-N 3.16Å; G233-T235 PolarHBondContact O-N 3.2Å; G233-G236 PolarHBondContact O-N 3.05Å; G233-T259 PolarHBondContact O-OG1 3.18Å; G233-G295 WeakPolarHBondContact CA-O 3.05Å
234	V	98.7	Very high	98.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-9.4	-174.7	75	0	0	0	0	113.5	D66 L97 T99 G236 P237 Y238 T259 G295	D66-V234 HydrophobicContact CB-CB 4.17Å; D66-V234 HydrophobicContact CB-CG1 4.07Å; L97-V234 HydrophobicContact CB-CG2 3.9Å; L97-V234 HydrophobicContact CD2-CG2 4.23Å; T99-V234 HydrophobicContact CG2-CG1 3.64Å; V234-G236 PolarHBondContact O-N 2.76Å; V234-P237 WeakPolarHBondContact O-CD 3.44Å; V234-Y238 WeakPolarHBondContact O-CD2 3.47Å; V234-Y238 WeakPolarHBondContact O-CE2 3.36Å; V234-T259 HydrophobicContact CB-CG2 4.5Å; V234-G295 WeakPolarHBondContact CG1-O 3.25Å; V234-G295 PolarHBondContact N-O 3.35Å
235	T	98.8	Very high	98.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.3	-21	174.6	55.7	0	0	0	0	113.3	T99 S230 G233 Y238 V239 F293 I399	T99-T235 HydrophobicContact CG2-CG2 3.91Å; S230-T235 WeakPolarHBondContact CB-OG1 3.46Å; S230-T235 PolarHBondContact OG-OG1 3.06Å; G233-T235 PolarHBondContact O-N 3.2Å; T235-Y238 CarbonylContact O-C 3.58Å; T235-Y238 WeakPolarHBondContact O-CA 3.38Å; T235-Y238 WeakPolarHBondContact O-CB 3.41Å; T235-Y238 PolarHBondContact O-N 3.08Å; T235-V239 WeakPolarHBondContact O-CG2 3.48Å; T235-V239 PolarHBondContact O-N 3.26Å; T235-F293 HydrophobicContact CG2-CB 3.77Å; T235-F293 HydrophobicContact CG2-CD2 4.21Å; T235-F293 HydrophobicContact CG2-CG 4.1Å; T235-I399 HydrophobicContact CG2-CD1 4.18Å; T235-I399 HydrophobicContact CG2-CG1 4.4Å
236	G	98.7	Very high	98.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-49.7	-56.2	-174.2	0	0	0	0	0	115	S230 G233 V234 Y238 V239 V240 Y257	S230-G236 WeakPolarHBondContact OG-CA 3.42Å; S230-G236 PolarHBondContact OG-N 3.1Å; G233-G236 PolarHBondContact O-N 3.05Å; V234-G236 PolarHBondContact O-N 2.76Å; G236-Y238 VanDerWaalsContact C-N 3.27Å; G236-Y238 PolarHBondContact O-N 3.46Å; G236-V239 PolarHBondContact O-N 2.8Å; G236-V240 WeakPolarHBondContact O-CG2 3.21Å; G236-V240 PolarHBondContact O-N 3.4Å; G236-Y257 VanDerWaalsContact CA-O 3.23Å; G236-Y257 WeakPolarHBondContact CA-O 3.22Å
237	P	98.7	Very high	98.7	Very high	47 Å²	47	18.1 Å²	18.1	31%	0.305	9%	0.09	S	C	.	.	H	α-helix	trans	-57.2	-36.3	174.6	-27.7	35.9	0	0	0	114.2	V195 V234 A241	V195-P237 HydrophobicContact CG2-CB 3.88Å; V234-P237 WeakPolarHBondContact O-CD 3.44Å; P237-A241 WeakPolarHBondContact O-CB 3.36Å; P237-A241 PolarHBondContact O-N 2.67Å
238	Y	98.9	Very high	98.6	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.008	12%	0.117	C	C	.	.	H	α-helix	trans	-70.7	-40.8	178.7	-59.8	-104.5	0	0	0	111.4	M98 T99 S102 S194 V195 Y198 V234 T235 G236 A241 I242 I399	M98-Y238 WeakPolarHBondContact CA-OH 3.29Å; T99-Y238 HydrophobicContact CG2-CD2 3.83Å; T99-Y238 HydrophobicContact CG2-CE2 3.77Å; T99-Y238 HydrophobicContact CG2-CG 4.28Å; S102-Y238 PolarHBondContact OG-OH 2.8Å; S194-Y238 WeakPolarHBondContact CB-OH 3.25Å; S194-Y238 PolarHBondContact OG-OH 2.97Å; V195-Y238 HydrophobicContact CB-CD1 4.49Å; V195-Y238 HydrophobicContact CB-CE1 4.4Å; V195-Y238 HydrophobicContact CG1-CD1 4.48Å; V195-Y238 HydrophobicContact CG2-CD1 4.36Å; V195-Y238 HydrophobicContact CG2-CD2 4.11Å; V195-Y238 HydrophobicContact CG2-CE1 4.11Å; V195-Y238 HydrophobicContact CG2-CE2 3.81Å; V195-Y238 HydrophobicContact CG2-CG 4.35Å; Y198-Y238 AromaticContact CD1-CD1 3.69Å; Y198-Y238 HydrophobicContact CD1-CD1 3.69Å; Y198-Y238 HydrophobicContact CD1-CE1 4.38Å; Y198-Y238 AromaticContact CG-CD1 3.85Å; Y198-Y238 HydrophobicContact CG-CD1 3.85Å; Y198-Y238 HydrophobicContact CG-CE1 4.08Å; V234-Y238 WeakPolarHBondContact O-CD2 3.47Å; V234-Y238 WeakPolarHBondContact O-CE2 3.36Å; T235-Y238 CarbonylContact O-C 3.58Å; T235-Y238 WeakPolarHBondContact O-CA 3.38Å; T235-Y238 WeakPolarHBondContact O-CB 3.41Å; T235-Y238 PolarHBondContact O-N 3.08Å; G236-Y238 VanDerWaalsContact C-N 3.27Å; G236-Y238 PolarHBondContact O-N 3.46Å; Y238-A241 PolarHBondContact O-N 3.48Å; Y238-I242 WeakPolarHBondContact O-CB 3.34Å; Y238-I242 WeakPolarHBondContact O-CG1 3.41Å; Y238-I242 PolarHBondContact O-N 3.14Å; Y238-I399 VanDerWaalsContact CB-CD1 3.48Å; Y238-I399 HydrophobicContact CG-CD1 4.37Å
239	V	98.8	Very high	98.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.6	-45.3	175.3	168.3	0	0	0	0	110.4	I228 T235 G236 I242 Y243 F254 F293 I399	I228-V239 HydrophobicContact CB-CG1 4.11Å; I228-V239 HydrophobicContact CD1-CG1 4.2Å; I228-V239 HydrophobicContact CG2-CG1 3.7Å; I228-V239 HydrophobicContact CG2-CG2 3.96Å; T235-V239 WeakPolarHBondContact O-CG2 3.48Å; T235-V239 PolarHBondContact O-N 3.26Å; G236-V239 PolarHBondContact O-N 2.8Å; V239-I242 PolarHBondContact O-N 2.66Å; V239-Y243 HydrophobicContact CB-CD2 4.41Å; V239-Y243 HydrophobicContact CG1-CD2 4Å; V239-Y243 WeakPolarHBondContact O-CB 3.49Å; V239-Y243 PolarHBondContact O-N 2.83Å; V239-F254 HydrophobicContact CG1-CD1 4.14Å; V239-F254 HydrophobicContact CG1-CD2 4.03Å; V239-F254 HydrophobicContact CG1-CE1 4.31Å; V239-F254 HydrophobicContact CG1-CE2 4.12Å; V239-F254 HydrophobicContact CG1-CG 4.08Å; V239-F254 HydrophobicContact CG1-CZ 4.34Å; V239-F293 HydrophobicContact CG2-CD2 4.04Å; V239-F293 HydrophobicContact CG2-CE2 3.58Å; V239-I399 HydrophobicContact CG2-CD1 4.28Å
240	V	98.8	Very high	98.5	Very high	22 Å²	22	23.3 Å²	23.3	13%	0.133	13%	0.134	C	C	.	.	I	π-helix	trans	-60.9	-50	177	173.3	0	0	0	0	110.8	G236 I242 H244 E245 I251 F254 Y257	G236-V240 WeakPolarHBondContact O-CG2 3.21Å; G236-V240 PolarHBondContact O-N 3.4Å; V240-I242 VanDerWaalsContact C-N 3.35Å; V240-I242 PolarHBondContact O-N 3.42Å; V240-H244 WeakPolarHBondContact O-CA 3.28Å; V240-H244 WeakPolarHBondContact O-CB 3.24Å; V240-H244 PolarHBondContact O-N 3.02Å; V240-H244 VanDerWaalsContact O-N 3.08Å; V240-E245 HydrophobicContact CG1-CG 4.43Å; V240-E245 PolarHBondContact O-N 3.21Å; V240-I251 HydrophobicContact CG1-CD1 4.41Å; V240-I251 HydrophobicContact CG2-CD1 4.1Å; V240-F254 HydrophobicContact CG2-CD2 4.38Å; V240-Y257 HydrophobicContact CG2-CD2 3.7Å; V240-Y257 HydrophobicContact CG2-CE2 4.29Å; V240-Y257 HydrophobicContact CG2-CG 4.06Å
241	A	98.8	Very high	98.5	Very high	7 Å²	7	26 Å²	26	6%	0.058	15%	0.149	C	C	.	.	I	π-helix	trans	-60.9	-41.3	-179.8	0	0	0	0	0	112.9	V195 P237 Y238 R246	V195-A241 HydrophobicContact CG1-CB 3.6Å; P237-A241 WeakPolarHBondContact O-CB 3.36Å; P237-A241 PolarHBondContact O-N 2.67Å; Y238-A241 PolarHBondContact O-N 3.48Å; A241-R246 VanDerWaalsContact O-CG 3.29Å; A241-R246 WeakPolarHBondContact O-CG 3.46Å; A241-R246 PolarHBondContact O-N 2.73Å; A241-R246 VanDerWaalsContact O-N 3.12Å
242	I	98.9	Very high	98.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.	I	π-helix	trans	-82	-56.7	-176.8	-68.1	165.2	0	0	0	111.2	Y198 A199 M202 F208 Y238 V239 V240 R246 L247 I399 L403	Y198-I242 HydrophobicContact CD1-CD1 3.88Å; Y198-I242 HydrophobicContact CE1-CD1 3.77Å; A199-I242 HydrophobicContact CB-CD1 4.29Å; A199-I242 HydrophobicContact CB-CG1 3.68Å; M202-I242 HydrophobicContact CB-CD1 4.25Å; M202-I242 HydrophobicContact CG-CD1 3.88Å; F208-I242 HydrophobicContact CE1-CG2 4.44Å; F208-I242 HydrophobicContact CZ-CG2 4.01Å; Y238-I242 WeakPolarHBondContact O-CB 3.34Å; Y238-I242 WeakPolarHBondContact O-CG1 3.41Å; Y238-I242 PolarHBondContact O-N 3.14Å; V239-I242 PolarHBondContact O-N 2.66Å; V240-I242 VanDerWaalsContact C-N 3.35Å; V240-I242 PolarHBondContact O-N 3.42Å; I242-R246 WeakPolarHBondContact O-CB 3.42Å; I242-L247 HydrophobicContact CG2-CD1 4.16Å; I242-L247 WeakPolarHBondContact O-CB 3.1Å; I242-L247 WeakPolarHBondContact O-CG 3.46Å; I242-L247 PolarHBondContact O-N 3.15Å; I242-I399 HydrophobicContact CD1-CG2 3.8Å; I242-L403 HydrophobicContact CG2-CD1 4.16Å; I242-L403 HydrophobicContact CG2-CD2 4.02Å
243	Y	98.8	Very high	98.3	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	I	π-helix	trans	-81.1	-42.2	-169.3	-71.5	-86.4	0	0	0	112.5	I228 V239 L247 G248 A249 F254 I399 S402 L403 L406	I228-Y243 HydrophobicContact CD1-CD1 3.52Å; I228-Y243 HydrophobicContact CD1-CD2 3.45Å; I228-Y243 VanDerWaalsContact CD1-CD2 3.45Å; I228-Y243 HydrophobicContact CD1-CE1 3.57Å; I228-Y243 HydrophobicContact CD1-CE2 3.5Å; I228-Y243 VanDerWaalsContact CD1-CE2 3.5Å; I228-Y243 HydrophobicContact CD1-CG 3.45Å; I228-Y243 VanDerWaalsContact CD1-CG 3.45Å; V239-Y243 HydrophobicContact CB-CD2 4.41Å; V239-Y243 HydrophobicContact CG1-CD2 4Å; V239-Y243 WeakPolarHBondContact O-CB 3.49Å; V239-Y243 PolarHBondContact O-N 2.83Å; Y243-L247 HydrophobicContact CD1-CD1 3.97Å; Y243-L247 HydrophobicContact CE1-CD1 4.29Å; Y243-L247 CarbonylContact O-C 3.24Å; Y243-L247 WeakPolarHBondContact O-CB 3.4Å; Y243-G248 PolarHBondContact O-N 2.84Å; Y243-G248 VanDerWaalsContact O-N 3.16Å; Y243-A249 VanDerWaalsContact O-CB 3.24Å; Y243-A249 WeakPolarHBondContact O-CB 3.09Å; Y243-A249 PolarHBondContact O-N 2.91Å; Y243-F254 HydrophobicContact CG-CZ 4.41Å; Y243-I399 HydrophobicContact CE2-CG2 4.36Å; Y243-S402 VanDerWaalsContact OH-CB 3.3Å; Y243-S402 WeakPolarHBondContact OH-CB 3.4Å; Y243-S402 PolarHBondContact OH-OG 3.3Å; Y243-L403 HydrophobicContact CE1-CD2 3.94Å; Y243-L403 HydrophobicContact CE2-CD2 4.44Å; Y243-L406 HydrophobicContact CD1-CD1 4.41Å; Y243-L406 HydrophobicContact CE1-CD1 3.67Å
244	H	98.6	Very high	98.3	Very high	71 Å²	71	31.3 Å²	31.3	33%	0.329	17%	0.173	S	C	.	.	I	π-helix	trans	-83.5	-59.2	180	175.6	64.2	0	0	0	111.9	V240 G248 A249 I251 F254	V240-H244 WeakPolarHBondContact O-CA 3.28Å; V240-H244 WeakPolarHBondContact O-CB 3.24Å; V240-H244 PolarHBondContact O-N 3.02Å; V240-H244 VanDerWaalsContact O-N 3.08Å; H244-G248 VanDerWaalsContact O-CA 3.29Å; H244-G248 WeakPolarHBondContact O-CA 3.23Å; H244-G248 PolarHBondContact O-N 3Å; H244-G248 VanDerWaalsContact O-N 3.1Å; H244-A249 WeakPolarHBondContact CA-O 3.2Å; H244-A249 PolarHBondContact ND1-O 3.46Å; H244-I251 HydrophobicContact CB-CD1 4.39Å; H244-F254 HydrophobicContact CB-CE2 3.56Å; H244-F254 HydrophobicContact CB-CZ 4.15Å
245	E	98.7	Very high	98.2	Very high	138 Å²	138	35.1 Å²	35.1	65%	0.645	19%	0.188	S	C	*	.	I	π-helix	trans	-72.1	-44.2	-171.2	-60.9	174.1	177.7	0	0	112.2	V240	V240-E245 HydrophobicContact CG1-CG 4.43Å; V240-E245 PolarHBondContact O-N 3.21Å
246	R	98.7	Very high	98.2	Very high	45 Å²	45	39.2 Å²	39.2	17%	0.17	21%	0.207	C	C	.	.	I	π-helix	trans	-87.4	-47.9	-178.6	-68	176.8	-168.4	-137.4	6.7	113.2	A199 D200 E203 F208 K212 A241 I242	A199-R246 VanDerWaalsContact CB-CZ 3.45Å; A199-R246 PolarHBondContact O-NH1 3.34Å; D200-R246 IonicContact OD1-CZ 3.73Å; D200-R246 IonicContact OD1-NH1 2.73Å; D200-R246 PolarHBondContact OD1-NH1 3.16Å; D200-R246 IonicContact OD1-NH2 3.18Å; D200-R246 PolarHBondContact OD1-NH2 3.09Å; E203-R246 IonicContact OE2-CZ 2.63Å; E203-R246 IonicContact OE2-NH1 3Å; E203-R246 PolarHBondContact OE2-NH1 2.85Å; F208-R246 HydrophobicContact CD1-CB 4.16Å; F208-R246 HydrophobicContact CE1-CB 3.87Å; K212-R246 WeakPolarHBondContact CE-O 3.42Å; K212-R246 PolarHBondContact NZ-O 3.18Å; A241-R246 VanDerWaalsContact O-CG 3.29Å; A241-R246 WeakPolarHBondContact O-CG 3.46Å; A241-R246 PolarHBondContact O-N 2.73Å; A241-R246 VanDerWaalsContact O-N 3.12Å; I242-R246 WeakPolarHBondContact O-CB 3.42Å
247	L	98.6	Very high	98.1	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.031	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-12.7	-174.9	-66.2	175.7	0	0	0	114.6	F208 L211 K212 L215 I242 Y243 L403	F208-L247 HydrophobicContact CB-CD2 4.03Å; F208-L247 HydrophobicContact CD1-CD2 3.59Å; F208-L247 HydrophobicContact CD1-CG 4.17Å; F208-L247 HydrophobicContact CD2-CD2 4.12Å; F208-L247 HydrophobicContact CE1-CD2 4.01Å; F208-L247 HydrophobicContact CE1-CG 4.13Å; F208-L247 HydrophobicContact CE2-CD2 4.49Å; F208-L247 HydrophobicContact CG-CD2 3.64Å; F208-L247 HydrophobicContact CZ-CD2 4.45Å; L211-L247 HydrophobicContact CB-CD2 3.73Å; L211-L247 HydrophobicContact CD1-CD1 4.37Å; L211-L247 HydrophobicContact CD1-CD2 4.42Å; K212-L247 HydrophobicContact CG-CD2 4.22Å; L215-L247 HydrophobicContact CD1-CB 3.83Å; L215-L247 HydrophobicContact CD1-CD1 4.43Å; I242-L247 HydrophobicContact CG2-CD1 4.16Å; I242-L247 WeakPolarHBondContact O-CB 3.1Å; I242-L247 WeakPolarHBondContact O-CG 3.46Å; I242-L247 PolarHBondContact O-N 3.15Å; Y243-L247 HydrophobicContact CD1-CD1 3.97Å; Y243-L247 HydrophobicContact CE1-CD1 4.29Å; Y243-L247 CarbonylContact O-C 3.24Å; Y243-L247 WeakPolarHBondContact O-CB 3.4Å; L247-L403 HydrophobicContact CD1-CD2 3.89Å
248	G	97.7	Very high	98.1	Very high	57 Å²	57	45.1 Å²	45.1	59%	0.588	23%	0.229	S	C	*	.			trans	80	17.6	175.4	0	0	0	0	0	115.2	Y243 H244	Y243-G248 PolarHBondContact O-N 2.84Å; Y243-G248 VanDerWaalsContact O-N 3.16Å; H244-G248 VanDerWaalsContact O-CA 3.29Å; H244-G248 WeakPolarHBondContact O-CA 3.23Å; H244-G248 PolarHBondContact O-N 3Å; H244-G248 VanDerWaalsContact O-N 3.1Å
249	A	98	Very high	98.1	Very high	3 Å²	3	46.6 Å²	46.6	3%	0.025	24%	0.239	C	C	.	.			trans	-66.8	138.5	171.3	0	0	0	0	0	110.3	L215 V226 Y243 H244 F254	L215-A249 HydrophobicContact CD1-CB 4.29Å; V226-A249 HydrophobicContact CG2-CB 4.01Å; Y243-A249 VanDerWaalsContact O-CB 3.24Å; Y243-A249 WeakPolarHBondContact O-CB 3.09Å; Y243-A249 PolarHBondContact O-N 2.91Å; H244-A249 WeakPolarHBondContact CA-O 3.2Å; H244-A249 PolarHBondContact ND1-O 3.46Å; A249-F254 HydrophobicContact CB-CE1 4.31Å; A249-F254 HydrophobicContact CB-CZ 3.94Å
250	P	97.2	Very high	98.1	Very high	55 Å²	55	49.3 Å²	49.3	36%	0.357	25%	0.253	S	S	.	.			trans	-61.9	140.9	178.1	-20.6	30.1	0	0	0	112.7	E252 N253	P250-E252 HydrophobicContact CB-CG 4.07Å; P250-E252 WeakPolarHBondContact CB-OE1 3.43Å; P250-E252 WeakPolarHBondContact CB-OE2 3.41Å; P250-E252 PolarHBondContact O-N 3.1Å; P250-N253 VanDerWaalsContact O-CB 3.27Å; P250-N253 WeakPolarHBondContact O-CB 3.36Å; P250-N253 PolarHBondContact O-N 2.99Å
251	I	97.7	Very high	98	Very high	58 Å²	58	51.3 Å²	51.3	30%	0.297	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-64.7	-28.9	-175.5	-169.6	63.1	0	0	0	112.2	V240 H244 N253 F254 Y257	V240-I251 HydrophobicContact CG1-CD1 4.41Å; V240-I251 HydrophobicContact CG2-CD1 4.1Å; H244-I251 HydrophobicContact CB-CD1 4.39Å; I251-N253 PolarHBondContact O-N 3.33Å; I251-N253 VanDerWaalsContact O-N 3.12Å; I251-F254 HydrophobicContact CD1-CD2 3.87Å; I251-F254 HydrophobicContact CD1-CE2 4.33Å; I251-F254 PolarHBondContact O-N 3.2Å; I251-F254 VanDerWaalsContact O-N 3.08Å; I251-Y257 HydrophobicContact CD1-CE1 4.47Å
252	E	96.5	Very high	98	Very high	123 Å²	123	54.1 Å²	54.1	58%	0.575	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-65.7	-8.3	175.4	67.1	-90.1	-152.5	0	0	113.8	P250 F254 R255	P250-E252 HydrophobicContact CB-CG 4.07Å; P250-E252 WeakPolarHBondContact CB-OE1 3.43Å; P250-E252 WeakPolarHBondContact CB-OE2 3.41Å; P250-E252 PolarHBondContact O-N 3.1Å; E252-F254 VanDerWaalsContact C-N 3.29Å; E252-R255 PolarHBondContact O-NH1 3.1Å; E252-R255 PolarHBondContact O-NH2 2.81Å
253	N	96	Very high	98	Very high	17 Å²	17	54.1 Å²	54.1	9%	0.091	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-86.2	0.6	173	-73.3	-3.4	0	0	0	113	V226 L227 I228 P250 I251	V226-N253 WeakPolarHBondContact O-CB 3.33Å; V226-N253 VanDerWaalsContact O-CG 3.24Å; V226-N253 PolarHBondContact O-ND2 3.19Å; L227-N253 VanDerWaalsContact CA-O 3.32Å; L227-N253 WeakPolarHBondContact CA-O 3.3Å; L227-N253 WeakPolarHBondContact CD1-O 3.36Å; I228-N253 PolarHBondContact N-O 2.79Å; P250-N253 VanDerWaalsContact O-CB 3.27Å; P250-N253 WeakPolarHBondContact O-CB 3.36Å; P250-N253 PolarHBondContact O-N 2.99Å; I251-N253 PolarHBondContact O-N 3.33Å; I251-N253 VanDerWaalsContact O-N 3.12Å
254	F	98.2	Very high	97.9	Very high	7 Å²	7	56 Å²	56	3%	0.031	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	145.9	179.5	-51.1	-29.2	0	0	0	111.9	V226 I228 V239 V240 Y243 H244 A249 I251 E252 Y257	V226-F254 HydrophobicContact CG2-CE1 4.45Å; I228-F254 HydrophobicContact CB-CD1 3.8Å; I228-F254 HydrophobicContact CB-CE1 4.26Å; I228-F254 HydrophobicContact CD1-CD1 4.43Å; I228-F254 HydrophobicContact CD1-CE1 4.03Å; I228-F254 HydrophobicContact CG1-CD1 4.23Å; I228-F254 HydrophobicContact CG1-CE1 4.22Å; I228-F254 CarbonylContact O-C 3.6Å; I228-F254 VanDerWaalsContact O-CA 3.27Å; I228-F254 WeakPolarHBondContact O-CA 3.17Å; V239-F254 HydrophobicContact CG1-CD1 4.14Å; V239-F254 HydrophobicContact CG1-CD2 4.03Å; V239-F254 HydrophobicContact CG1-CE1 4.31Å; V239-F254 HydrophobicContact CG1-CE2 4.12Å; V239-F254 HydrophobicContact CG1-CG 4.08Å; V239-F254 HydrophobicContact CG1-CZ 4.34Å; V240-F254 HydrophobicContact CG2-CD2 4.38Å; Y243-F254 HydrophobicContact CG-CZ 4.41Å; H244-F254 HydrophobicContact CB-CE2 3.56Å; H244-F254 HydrophobicContact CB-CZ 4.15Å; A249-F254 HydrophobicContact CB-CE1 4.31Å; A249-F254 HydrophobicContact CB-CZ 3.94Å; I251-F254 HydrophobicContact CD1-CD2 3.87Å; I251-F254 HydrophobicContact CD1-CE2 4.33Å; I251-F254 PolarHBondContact O-N 3.2Å; I251-F254 VanDerWaalsContact O-N 3.08Å; E252-F254 VanDerWaalsContact C-N 3.29Å; F254-Y257 HydrophobicContact CB-CD1 3.88Å
255	R	97.9	Very high	97.7	Very high	80 Å²	80	55.8 Å²	55.8	30%	0.302	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	142.4	178.6	-60.8	-67.1	174.3	-85.3	-3.1	109	L227 I228 D229 S230 E252 Y257	L227-R255 HydrophobicContact CD1-CG 4.1Å; I228-R255 PolarHBondContact O-N 3.25Å; D229-R255 HydrophobicContact CB-CB 4.11Å; S230-R255 PolarHBondContact N-O 2.91Å; S230-R255 VanDerWaalsContact N-O 3.1Å; E252-R255 PolarHBondContact O-NH1 3.1Å; E252-R255 PolarHBondContact O-NH2 2.81Å; R255-Y257 PolarHBondContact O-N 3.11Å
256	H	97.8	Very high	97.4	Very high	85 Å²	85	52.7 Å²	52.7	39%	0.394	31%	0.309	S	S	.	.	S	Bend	trans	48.3	38.6	172.1	-46.4	119.5	0	0	0	114.1	D229 S230 H232 N258	D229-H256 WeakPolarHBondContact OD1-CB 3.43Å; D229-H256 IonicContact OD1-CG 3.07Å; D229-H256 IonicContact OD1-ND1 2.6Å; D229-H256 PolarHBondContact OD1-ND1 3.33Å; D229-H256 IonicContact OD2-CE1 2.6Å; D229-H256 IonicContact OD2-ND1 2.78Å; D229-H256 PolarHBondContact OD2-ND1 2.96Å; D229-H256 VanDerWaalsContact OD2-ND1 3.14Å; S230-H256 WeakPolarHBondContact CB-O 3.27Å; H232-H256 WeakPolarHBondContact CA-O 3.49Å; H232-H256 AromaticContact CD2-CD2 3.9Å; H232-H256 AromaticContact CD2-CG 3.95Å; H232-H256 AromaticContact CE1-CD2 3.55Å; H232-H256 AromaticContact CE1-CG 3.92Å; H232-H256 PolarHBondContact N-O 3.12Å; H232-H256 AromaticContact NE2-CD2 3.14Å; H232-H256 PolarHBondContact NE2-CD2 3.45Å; H232-H256 AromaticContact NE2-CG 3.61Å; H256-N258 VanDerWaalsContact C-N 3.26Å; H256-N258 PolarHBondContact O-N 3.14Å
257	Y	97.6	Very high	97.2	Very high	97 Å²	97	52.3 Å²	52.3	38%	0.38	31%	0.309	S	S	.	.			trans	-81.5	-4.1	-179.9	64.7	-94.9	0	0	0	113	G236 V240 I251 F254 R255	G236-Y257 VanDerWaalsContact CA-O 3.23Å; G236-Y257 WeakPolarHBondContact CA-O 3.22Å; V240-Y257 HydrophobicContact CG2-CD2 3.7Å; V240-Y257 HydrophobicContact CG2-CE2 4.29Å; V240-Y257 HydrophobicContact CG2-CG 4.06Å; I251-Y257 HydrophobicContact CD1-CE1 4.47Å; F254-Y257 HydrophobicContact CB-CD1 3.88Å; R255-Y257 PolarHBondContact O-N 3.11Å
258	N	97.8	Very high	97.1	Very high	74 Å²	74	52.1 Å²	52.1	40%	0.396	31%	0.308	S	S	.	.	S	Bend	trans	-80	121.2	167.2	60.6	-62.2	0	0	0	109.7	H232 H256 L260	H232-N258 WeakPolarHBondContact CA-O 3.24Å; H232-N258 PolarHBondContact CE1-ND2 3.22Å; H232-N258 PolarHBondContact CE1-OD1 3.1Å; H232-N258 PolarHBondContact ND1-ND2 2.94Å; H232-N258 PolarHBondContact ND1-O 2.9Å; H232-N258 PolarHBondContact ND1-OD1 2.79Å; H232-N258 VanDerWaalsContact ND1-OD1 3.14Å; H256-N258 VanDerWaalsContact C-N 3.26Å; H256-N258 PolarHBondContact O-N 3.14Å; N258-L260 WeakPolarHBondContact ND2-CG 3.39Å; N258-L260 PolarHBondContact O-N 3.06Å
259	T	98.3	Very high	97	Very high	34 Å²	34	49.7 Å²	49.7	21%	0.209	28%	0.282	C	S	.	.			trans	-71.1	126.3	177.1	-53	0	0	0	0	110.5	D66 L97 H232 G233 V234	D66-T259 WeakPolarHBondContact O-CG2 3.47Å; L97-T259 HydrophobicContact CD2-CG2 4.32Å; H232-T259 WeakPolarHBondContact O-CA 3.46Å; G233-T259 PolarHBondContact O-OG1 3.18Å; V234-T259 HydrophobicContact CB-CG2 4.5Å
260	L	98.6	Very high	96.9	Very high	56 Å²	56	49.5 Å²	49.5	29%	0.293	28%	0.281	S	S	.	.			trans	-125.2	139.4	179.2	-64.5	179.1	0	0	0	111.2	H232 N258 D262 F263	H232-L260 HydrophobicContact CB-CB 4.15Å; H232-L260 HydrophobicContact CB-CD1 4.4Å; H232-L260 HydrophobicContact CB-CG 4.32Å; H232-L260 PolarHBondContact O-N 3.33Å; N258-L260 WeakPolarHBondContact ND2-CG 3.39Å; N258-L260 PolarHBondContact O-N 3.06Å; L260-D262 PolarHBondContact O-N 2.84Å; L260-F263 PolarHBondContact O-N 3.36Å
261	P	98.1	Very high	96.8	Very high	64 Å²	64	46.9 Å²	46.9	42%	0.416	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.1	-177.4	-24.7	34.3	0	0	0	115.8	G67 R68 Y69 G126	G67-P261 WeakPolarHBondContact O-CA 3.29Å; R68-P261 CarbonylContact C-O 3.54Å; R68-P261 WeakPolarHBondContact CA-O 3.38Å; Y69-P261 PolarHBondContact N-O 2.99Å; G126-P261 PolarHBondContact N-O 2.93Å; G126-P261 VanDerWaalsContact N-O 3.16Å
262	D	98.3	Very high	96.6	Very high	67 Å²	67	47 Å²	47	36%	0.358	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	8.1	177.8	67.7	-6.9	0	0	0	113.3	L260 G264 G265	L260-D262 PolarHBondContact O-N 2.84Å; D262-G264 PolarHBondContact O-N 2.73Å; D262-G264 PolarHBondContact OD1-N 3.34Å; D262-G265 PolarHBondContact O-N 2.78Å
263	F	98.1	Very high	96.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	54	31.2	-176.2	-46.2	-70.1	0	0	0	113.7	R68 H232 L260 G265 C266 P268	R68-F263 HydrophobicContact CB-CE2 4.25Å; R68-F263 HydrophobicContact CB-CZ 3.95Å; H232-F263 HydrophobicContact CB-CB 4.28Å; L260-F263 PolarHBondContact O-N 3.36Å; F263-G265 PolarHBondContact O-N 3.02Å; F263-C266 PolarHBondContact O-N 2.9Å; F263-P268 HydrophobicContact CB-CB 4.11Å; F263-P268 HydrophobicContact CB-CG 4.29Å; F263-P268 HydrophobicContact CD1-CB 4.1Å; F263-P268 HydrophobicContact CD1-CG 4.23Å; F263-P268 HydrophobicContact CD2-CB 4.18Å; F263-P268 HydrophobicContact CD2-CG 3.53Å; F263-P268 HydrophobicContact CE1-CG 4.48Å; F263-P268 HydrophobicContact CE2-CG 3.81Å; F263-P268 HydrophobicContact CG-CB 3.86Å; F263-P268 HydrophobicContact CG-CG 3.75Å; F263-P268 HydrophobicContact CZ-CG 4.28Å
264	G	96.6	Very high	96.2	Very high	39 Å²	39	46.7 Å²	46.7	40%	0.402	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	72.1	17.4	-176.2	0	0	0	0	0	113.8	D262 C266	D262-G264 PolarHBondContact O-N 2.73Å; D262-G264 PolarHBondContact OD1-N 3.34Å; G264-C266 PolarHBondContact O-N 3.47Å
265	G	95.5	Very high	96.1	Very high	67 Å²	67	46.5 Å²	46.5	69%	0.691	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	77.9	5.2	-174.2	0	0	0	0	0	114	D262 F263	D262-G265 PolarHBondContact O-N 2.78Å; F263-G265 PolarHBondContact O-N 3.02Å
266	C	92.2	Very high	95.9	Very high	73 Å²	73	45 Å²	45	49%	0.493	27%	0.27	S	S	.	.	S	Bend	trans	-89.8	164.2	178	-63	0	0	0	0	111.8	F263 G264 P268	F263-C266 PolarHBondContact O-N 2.9Å; G264-C266 PolarHBondContact O-N 3.47Å; C266-P268 WeakPolarHBondContact O-CD 3.49Å
267	H	94.2	Very high	95.8	Very high	37 Å²	37	43.4 Å²	43.4	17%	0.171	28%	0.275	C	S	.	.			trans	-85.6	113.3	168.9	-165.3	-50.7	0	0	0	108.3	H122 P124 D269 Y274	H122-H267 PolarHBondContact O-CE1 3.5Å; H122-H267 PolarHBondContact O-ND1 3.37Å; P124-H267 HydrophobicContact CG-CB 4.34Å; P124-H267 VanDerWaalsContact CG-CD2 3.49Å; P124-H267 WeakPolarHBondContact CG-CD2 3.48Å; H267-D269 WeakPolarHBondContact ND1-CB 3.28Å; H267-D269 PolarHBondContact O-N 2.65Å; H267-Y274 HydrophobicContact CB-CD1 3.59Å; H267-Y274 HydrophobicContact CB-CD2 4.15Å; H267-Y274 HydrophobicContact CB-CE1 3.78Å; H267-Y274 HydrophobicContact CB-CE2 4.33Å; H267-Y274 HydrophobicContact CB-CG 3.78Å; H267-Y274 AromaticContact CD2-CE2 3.91Å; H267-Y274 AromaticContact CD2-CZ 3.63Å; H267-Y274 AromaticContact CG-CD2 3.98Å; H267-Y274 AromaticContact CG-CE1 3.98Å; H267-Y274 AromaticContact CG-CE2 3.82Å; H267-Y274 AromaticContact CG-CZ 3.81Å; H267-Y274 AromaticContact ND1-CE2 3.96Å
268	P	96.8	Very high	95.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	26%	0.258	C	S	.	.			trans	-83	54.8	-173.9	38.1	-40.9	0	0	0	111.1	H122 L231 F263 C266 D294 G295	H122-P268 WeakPolarHBondContact CA-O 3.41Å; H122-P268 VanDerWaalsContact O-CD 3.29Å; H122-P268 WeakPolarHBondContact O-CD 3.02Å; H122-P268 WeakPolarHBondContact O-CG 3.42Å; L231-P268 HydrophobicContact CB-CB 4.4Å; F263-P268 HydrophobicContact CB-CB 4.11Å; F263-P268 HydrophobicContact CB-CG 4.29Å; F263-P268 HydrophobicContact CD1-CB 4.1Å; F263-P268 HydrophobicContact CD1-CG 4.23Å; F263-P268 HydrophobicContact CD2-CB 4.18Å; F263-P268 HydrophobicContact CD2-CG 3.53Å; F263-P268 HydrophobicContact CE1-CG 4.48Å; F263-P268 HydrophobicContact CE2-CG 3.81Å; F263-P268 HydrophobicContact CG-CB 3.86Å; F263-P268 HydrophobicContact CG-CG 3.75Å; F263-P268 HydrophobicContact CZ-CG 4.28Å; C266-P268 WeakPolarHBondContact O-CD 3.49Å; P268-D294 WeakPolarHBondContact O-CA 3.43Å; P268-D294 WeakPolarHBondContact O-CB 3.33Å; P268-G295 PolarHBondContact O-N 3.04Å
269	D	95.6	Very high	95.8	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.032	25%	0.245	C	C	.	.			trans	-113.1	121.4	174.2	-167.8	32.7	0	0	0	109.5	H122 H267 N271 Y274 R299	H122-D269 HydrophobicContact CB-CB 3.7Å; H122-D269 WeakPolarHBondContact CB-OD1 3.02Å; H122-D269 VanDerWaalsContact CD2-CG 3.46Å; H122-D269 IonicContact CD2-OD1 3.05Å; H122-D269 PolarHBondContact CD2-OD1 3.26Å; H122-D269 IonicContact CD2-OD2 3.3Å; H122-D269 IonicContact CG-OD1 3.22Å; H267-D269 WeakPolarHBondContact ND1-CB 3.28Å; H267-D269 PolarHBondContact O-N 2.65Å; D269-N271 VanDerWaalsContact C-N 3.29Å; D269-N271 PolarHBondContact O-N 3.4Å; D269-N271 PolarHBondContact OD2-ND2 2.92Å; D269-Y274 HydrophobicContact CB-CD2 3.84Å; D269-Y274 HydrophobicContact CB-CE2 4.35Å; D269-Y274 WeakPolarHBondContact O-CB 3.3Å; D269-R299 IonicContact OD1-CZ 2.72Å; D269-R299 IonicContact OD1-NH1 2.87Å; D269-R299 PolarHBondContact OD1-NH1 3.44Å; D269-R299 IonicContact OD2-NH1 2.67Å
270	P	96.2	Very high	95.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	25%	0.252	C	S	.	.			trans	-78.2	82	-175.9	33	-37.1	0	0	0	109.2	L231 A292 D294 R299 M301 F386	L231-P270 HydrophobicContact CD1-CB 4.49Å; P270-A292 HydrophobicContact CB-CB 3.74Å; P270-A292 WeakPolarHBondContact CB-O 3.36Å; P270-D294 VanDerWaalsContact CD-CB 3.5Å; P270-D294 HydrophobicContact CG-CB 4.24Å; P270-R299 HydrophobicContact CG-CB 3.69Å; P270-M301 HydrophobicContact CB-CB 3.84Å; P270-M301 WeakPolarHBondContact O-CB 3.35Å; P270-F386 HydrophobicContact CG-CB 4.47Å; P270-F386 WeakPolarHBondContact O-CD2 3.2Å; P270-F386 WeakPolarHBondContact O-CE1 3.48Å; P270-F386 WeakPolarHBondContact O-CE2 3.48Å; P270-F386 WeakPolarHBondContact O-CZ 3.48Å
271	N	94.1	Very high	95.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-136.8	168.8	173.6	73	45.1	0	0	0	110.7	D269 T273 Y274 A275 F386	D269-N271 VanDerWaalsContact C-N 3.29Å; D269-N271 PolarHBondContact O-N 3.4Å; D269-N271 PolarHBondContact OD2-ND2 2.92Å; N271-T273 PolarHBondContact O-N 3.31Å; N271-T273 VanDerWaalsContact O-N 3.12Å; N271-T273 WeakPolarHBondContact OD1-CA 3.26Å; N271-T273 VanDerWaalsContact OD1-CB 3.24Å; N271-T273 WeakPolarHBondContact OD1-CB 3.47Å; N271-T273 PolarHBondContact OD1-N 2.89Å; N271-Y274 WeakPolarHBondContact ND2-CD2 3.37Å; N271-Y274 WeakPolarHBondContact ND2-CE2 3.3Å; N271-Y274 PolarHBondContact O-N 2.83Å; N271-Y274 WeakPolarHBondContact OD1-CD2 3.36Å; N271-Y274 PolarHBondContact OD1-N 3.48Å; N271-A275 WeakPolarHBondContact O-CB 3.41Å; N271-A275 PolarHBondContact O-N 3.03Å; N271-F386 HydrophobicContact CB-CE2 3.6Å; N271-F386 HydrophobicContact CB-CZ 3.84Å
272	L	93.5	Very high	95.7	Very high	59 Å²	59	33.7 Å²	33.7	31%	0.309	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26	-175.5	-64.6	177.7	0	0	0	113.9	V279 M301 F309	L272-V279 HydrophobicContact CD2-CG2 3.74Å; L272-M301 HydrophobicContact CD2-SD 4.15Å; L272-F309 HydrophobicContact CD1-CB 4.48Å; L272-F309 HydrophobicContact CD1-CD1 3.88Å; L272-F309 HydrophobicContact CD1-CD2 4.32Å; L272-F309 HydrophobicContact CD1-CE1 4.09Å; L272-F309 HydrophobicContact CD1-CG 3.99Å; L272-F309 HydrophobicContact CD1-CZ 4.41Å; L272-F309 HydrophobicContact CD2-CB 4.14Å; L272-F309 HydrophobicContact CD2-CD2 3.64Å; L272-F309 HydrophobicContact CD2-CE2 4.13Å; L272-F309 HydrophobicContact CD2-CG 3.89Å; L272-F309 HydrophobicContact CG-CD1 4.47Å; L272-F309 HydrophobicContact CG-CD2 4.07Å; L272-F309 HydrophobicContact CG-CE2 4.13Å; L272-F309 HydrophobicContact CG-CG 4.23Å; L272-F309 HydrophobicContact CG-CZ 4.37Å
273	T	92.3	Very high	95.7	Very high	68 Å²	68	36.2 Å²	36.2	42%	0.417	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-50.9	179.1	-56.2	0	0	0	0	111.5	N271	N271-T273 PolarHBondContact O-N 3.31Å; N271-T273 VanDerWaalsContact O-N 3.12Å; N271-T273 WeakPolarHBondContact OD1-CA 3.26Å; N271-T273 VanDerWaalsContact OD1-CB 3.24Å; N271-T273 WeakPolarHBondContact OD1-CB 3.47Å; N271-T273 PolarHBondContact OD1-N 2.89Å
274	Y	93	Very high	95.7	Very high	67 Å²	67	42.1 Å²	42.1	26%	0.263	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-27.2	-172.1	-56.6	-59.6	0	0	0	113.6	H267 D269 N271 A276 V567	H267-Y274 HydrophobicContact CB-CD1 3.59Å; H267-Y274 HydrophobicContact CB-CD2 4.15Å; H267-Y274 HydrophobicContact CB-CE1 3.78Å; H267-Y274 HydrophobicContact CB-CE2 4.33Å; H267-Y274 HydrophobicContact CB-CG 3.78Å; H267-Y274 AromaticContact CD2-CE2 3.91Å; H267-Y274 AromaticContact CD2-CZ 3.63Å; H267-Y274 AromaticContact CG-CD2 3.98Å; H267-Y274 AromaticContact CG-CE1 3.98Å; H267-Y274 AromaticContact CG-CE2 3.82Å; H267-Y274 AromaticContact CG-CZ 3.81Å; H267-Y274 AromaticContact ND1-CE2 3.96Å; D269-Y274 HydrophobicContact CB-CD2 3.84Å; D269-Y274 HydrophobicContact CB-CE2 4.35Å; D269-Y274 WeakPolarHBondContact O-CB 3.3Å; N271-Y274 WeakPolarHBondContact ND2-CD2 3.37Å; N271-Y274 WeakPolarHBondContact ND2-CE2 3.3Å; N271-Y274 PolarHBondContact O-N 2.83Å; N271-Y274 WeakPolarHBondContact OD1-CD2 3.36Å; N271-Y274 PolarHBondContact OD1-N 3.48Å; Y274-A276 VanDerWaalsContact C-N 3.27Å; Y274-A276 PolarHBondContact O-N 3.43Å; Y274-V567 HydrophobicContact CE2-CG2 4.15Å
275	A	95	Very high	95.6	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.017	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	30.3	171.7	0	0	0	0	0	112	L231 N271 G277 L278 V279 A292 M301	L231-A275 HydrophobicContact CD2-CB 4.47Å; N271-A275 WeakPolarHBondContact O-CB 3.41Å; N271-A275 PolarHBondContact O-N 3.03Å; A275-G277 PolarHBondContact O-N 3.05Å; A275-L278 HydrophobicContact CB-CB 4.48Å; A275-L278 WeakPolarHBondContact O-CB 3.43Å; A275-L278 PolarHBondContact O-N 2.84Å; A275-V279 PolarHBondContact O-N 2.89Å; A275-V279 VanDerWaalsContact O-N 3.12Å; A275-A292 HydrophobicContact CB-CB 4.31Å; A275-M301 HydrophobicContact CB-CE 3.45Å; A275-M301 VanDerWaalsContact CB-CE 3.45Å
276	A	94.3	Very high	95.6	Very high	50 Å²	50	43.4 Å²	43.4	41%	0.413	26%	0.257	S	S	.	.	H	α-helix	trans	-57.7	-31.5	-178.9	0	0	0	0	0	113.1	Y274 V279 A280	Y274-A276 VanDerWaalsContact C-N 3.27Å; Y274-A276 PolarHBondContact O-N 3.43Å; A276-V279 PolarHBondContact O-N 3.01Å; A276-A280 WeakPolarHBondContact O-CB 3.3Å; A276-A280 PolarHBondContact O-N 2.85Å
277	G	95.3	Very high	95.8	Very high	50 Å²	50	40.7 Å²	40.7	52%	0.515	24%	0.237	S	C	.	.	H	α-helix	trans	-60.1	-47.4	173.3	0	0	0	0	0	112.4	A275 V279 A280 E281	A275-G277 PolarHBondContact O-N 3.05Å; G277-V279 PolarHBondContact O-N 3.34Å; G277-A280 PolarHBondContact O-N 2.8Å; G277-E281 WeakPolarHBondContact O-CG 3.41Å; G277-E281 PolarHBondContact O-N 3.3Å
278	L	97.4	Very high	96.1	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-45.1	174.2	175.5	65.4	0	0	0	111.2	L227 D229 A275 A280 E281 M282 A291 A292 M301 I303	L227-L278 HydrophobicContact CB-CD1 4.24Å; L227-L278 HydrophobicContact CD2-CD1 3.56Å; L227-L278 HydrophobicContact CG-CD1 3.58Å; D229-L278 HydrophobicContact CB-CB 4.47Å; D229-L278 HydrophobicContact CB-CD2 4.36Å; A275-L278 HydrophobicContact CB-CB 4.48Å; A275-L278 WeakPolarHBondContact O-CB 3.43Å; A275-L278 PolarHBondContact O-N 2.84Å; L278-A280 VanDerWaalsContact C-N 3.34Å; L278-A280 PolarHBondContact O-N 2.96Å; L278-E281 PolarHBondContact O-N 2.76Å; L278-M282 HydrophobicContact CD1-CG 4.16Å; L278-M282 HydrophobicContact CG-CG 4.42Å; L278-M282 WeakPolarHBondContact O-CG 3.42Å; L278-M282 PolarHBondContact O-N 3.02Å; L278-A291 WeakPolarHBondContact CD2-O 3.4Å; L278-A292 HydrophobicContact CD2-CB 3.69Å; L278-M301 HydrophobicContact CD2-CE 4.03Å; L278-I303 HydrophobicContact CD2-CD1 4.31Å; L278-I303 HydrophobicContact CG-CD1 4.33Å
279	V	97.4	Very high	96.1	Very high	20 Å²	20	40 Å²	40	12%	0.121	24%	0.235	C	C	.	.	H	α-helix	trans	-57.3	-48.4	178.1	179.5	0	0	0	0	110.6	L272 A275 A276 G277 E281 M282 Q283 I303	L272-V279 HydrophobicContact CD2-CG2 3.74Å; A275-V279 PolarHBondContact O-N 2.89Å; A275-V279 VanDerWaalsContact O-N 3.12Å; A276-V279 PolarHBondContact O-N 3.01Å; G277-V279 PolarHBondContact O-N 3.34Å; V279-E281 PolarHBondContact O-N 2.8Å; V279-M282 PolarHBondContact O-N 2.8Å; V279-Q283 HydrophobicContact CG1-CG 4.47Å; V279-Q283 VanDerWaalsContact O-CG 3.3Å; V279-Q283 WeakPolarHBondContact O-CG 3.29Å; V279-Q283 PolarHBondContact O-N 2.98Å; V279-I303 HydrophobicContact CB-CD1 4.42Å; V279-I303 HydrophobicContact CG2-CD1 3.65Å
280	A	97.9	Very high	96.3	Very high	45 Å²	45	39.8 Å²	39.8	37%	0.372	23%	0.233	S	C	.	.	H	α-helix	trans	-62.7	-39.9	179.7	0	0	0	0	0	112.3	A276 G277 L278 Q283 K284	A276-A280 WeakPolarHBondContact O-CB 3.3Å; A276-A280 PolarHBondContact O-N 2.85Å; G277-A280 PolarHBondContact O-N 2.8Å; L278-A280 VanDerWaalsContact C-N 3.34Å; L278-A280 PolarHBondContact O-N 2.96Å; A280-Q283 PolarHBondContact O-N 2.93Å; A280-K284 PolarHBondContact O-N 2.92Å
281	E	97.9	Very high	96.4	Very high	55 Å²	55	39.8 Å²	39.8	26%	0.257	23%	0.233	S	C	.	.	H	α-helix	trans	-65.9	-41	174.4	-69.8	-54.4	136.8	0	0	112.4	L227 G277 L278 V279 Q283 K284	L227-E281 HydrophobicContact CD2-CB 3.52Å; L227-E281 HydrophobicContact CD2-CG 4.35Å; G277-E281 WeakPolarHBondContact O-CG 3.41Å; G277-E281 PolarHBondContact O-N 3.3Å; L278-E281 PolarHBondContact O-N 2.76Å; V279-E281 PolarHBondContact O-N 2.8Å; E281-Q283 VanDerWaalsContact C-N 3.32Å; E281-Q283 PolarHBondContact O-N 2.94Å; E281-K284 WeakPolarHBondContact O-CB 3.38Å; E281-K284 PolarHBondContact O-N 3.3Å; E281-K284 WeakPolarHBondContact OE1-CE 3.3Å; E281-K284 IonicContact OE1-NZ 3.64Å; E281-K284 PolarHBondContact OE1-NZ 3.37Å; E281-K284 WeakPolarHBondContact OE2-CE 3.46Å; E281-K284 IonicContact OE2-NZ 2.75Å; E281-K284 PolarHBondContact OE2-NZ 3.2Å
282	M	98.2	Very high	96.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.1	-35.6	176.4	-70.6	-57.3	-60.5	0	0	112.1	L227 L278 V279 K284 G285 H287 I303 G304 K306 G307	L227-M282 HydrophobicContact CB-SD 4.03Å; L227-M282 HydrophobicContact CD2-SD 4.1Å; L278-M282 HydrophobicContact CD1-CG 4.16Å; L278-M282 HydrophobicContact CG-CG 4.42Å; L278-M282 WeakPolarHBondContact O-CG 3.42Å; L278-M282 PolarHBondContact O-N 3.02Å; V279-M282 PolarHBondContact O-N 2.8Å; M282-K284 PolarHBondContact O-N 2.88Å; M282-G285 PolarHBondContact O-N 3.07Å; M282-H287 HydrophobicContact CE-CB 4.1Å; M282-H287 HydrophobicContact SD-CB 3.69Å; M282-I303 HydrophobicContact CB-CG2 3.79Å; M282-I303 HydrophobicContact CE-CG2 4.47Å; M282-I303 HydrophobicContact CG-CB 4.26Å; M282-I303 HydrophobicContact CG-CG2 3.84Å; M282-G304 VanDerWaalsContact CE-O 3.25Å; M282-G304 WeakPolarHBondContact CE-O 3.48Å; M282-K306 WeakPolarHBondContact O-CA 3.49Å; M282-K306 PolarHBondContact O-N 3.13Å; M282-G307 PolarHBondContact O-N 3.47Å
283	Q	97.9	Very high	96.9	Very high	120 Å²	120	37 Å²	37	56%	0.561	22%	0.218	S	C	*	.	H	α-helix	trans	-63	-24.5	176.5	-76.7	172.9	-15.4	0	0	113.4	V279 A280 E281 G285	V279-Q283 HydrophobicContact CG1-CG 4.47Å; V279-Q283 VanDerWaalsContact O-CG 3.3Å; V279-Q283 WeakPolarHBondContact O-CG 3.29Å; V279-Q283 PolarHBondContact O-N 2.98Å; A280-Q283 PolarHBondContact O-N 2.93Å; E281-Q283 VanDerWaalsContact C-N 3.32Å; E281-Q283 PolarHBondContact O-N 2.94Å; Q283-G285 PolarHBondContact O-N 3.38Å
284	K	97.7	Very high	97.2	Very high	123 Å²	123	33.7 Å²	33.7	54%	0.535	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.9	173.9	-60	176.2	-170.6	171.7	0	113.1	A280 E281 M282 L286	A280-K284 PolarHBondContact O-N 2.92Å; E281-K284 WeakPolarHBondContact O-CB 3.38Å; E281-K284 PolarHBondContact O-N 3.3Å; E281-K284 WeakPolarHBondContact OE1-CE 3.3Å; E281-K284 IonicContact OE1-NZ 3.64Å; E281-K284 PolarHBondContact OE1-NZ 3.37Å; E281-K284 WeakPolarHBondContact OE2-CE 3.46Å; E281-K284 IonicContact OE2-NZ 2.75Å; E281-K284 PolarHBondContact OE2-NZ 3.2Å; M282-K284 PolarHBondContact O-N 2.88Å; K284-L286 VanDerWaalsContact C-N 3.3Å; K284-L286 HydrophobicContact CB-CG 4.32Å; K284-L286 PolarHBondContact O-N 3.07Å
285	G	94.4	Very high	97.4	Very high	40 Å²	40	30.5 Å²	30.5	41%	0.412	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	17.1	176.1	0	0	0	0	0	114.8	M282 Q283	M282-G285 PolarHBondContact O-N 3.07Å; Q283-G285 PolarHBondContact O-N 3.38Å
286	L	95.4	Very high	97.6	Very high	93 Å²	93	30.4 Å²	30.4	49%	0.487	19%	0.185	S	C	.	.			trans	-84.7	-20	178.5	-63	179.1	0	0	0	113.6	R225 K284	R225-L286 VanDerWaalsContact CD-O 3.29Å; R225-L286 WeakPolarHBondContact CD-O 3.37Å; R225-L286 PolarHBondContact NE-O 2.86Å; R225-L286 PolarHBondContact NH1-O 2.87Å; K284-L286 VanDerWaalsContact C-N 3.3Å; K284-L286 HydrophobicContact CB-CG 4.32Å; K284-L286 PolarHBondContact O-N 3.07Å
287	H	98.3	Very high	97.8	Very high	16 Å²	16	28.1 Å²	28.1	7%	0.074	17%	0.166	C	C	.	.			trans	-120.1	144.2	-178.9	-53.9	91.3	0	0	0	109.6	R225 L227 M282	R225-H287 HydrophobicContact CB-CB 4.46Å; R225-H287 CarbonylContact O-C 3.39Å; L227-H287 HydrophobicContact CB-CB 4.1Å; M282-H287 HydrophobicContact CE-CB 4.1Å; M282-H287 HydrophobicContact SD-CB 3.69Å
288	D	98.5	Very high	97.9	Very high	25 Å²	25	25.8 Å²	25.8	13%	0.134	14%	0.142	C	C	.	.	S	Bend	trans	-90.1	-25.8	-176.7	-51.5	-80.5	0	0	0	111.5	K222 F224 R225 E305	K222-D288 IonicContact NZ-OD1 2.91Å; K222-D288 PolarHBondContact NZ-OD1 3.02Å; F224-D288 HydrophobicContact CD1-CB 4.42Å; F224-D288 HydrophobicContact CD2-CB 3.82Å; F224-D288 HydrophobicContact CE1-CB 4.17Å; F224-D288 HydrophobicContact CE2-CB 3.52Å; F224-D288 HydrophobicContact CG-CB 4.27Å; F224-D288 HydrophobicContact CZ-CB 3.7Å; R225-D288 PolarHBondContact N-OD2 2.9Å; R225-D288 PolarHBondContact O-N 2.91Å; D288-E305 PolarHBondContact O-N 2.98Å
289	F	98.8	Very high	98	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	135.4	-179.9	174	-92.9	0	0	0	111.7	F224 R225 V226 L227 A291 I302 I303 W405 L406 L409 V416	F224-F289 HydrophobicContact CE1-CB 3.51Å; F224-F289 HydrophobicContact CE1-CG 4.42Å; F224-F289 HydrophobicContact CZ-CB 3.85Å; R225-F289 PolarHBondContact O-N 3.34Å; V226-F289 CarbonylContact C-O 3.55Å; V226-F289 VanDerWaalsContact CA-O 3.23Å; V226-F289 WeakPolarHBondContact CA-O 3.49Å; V226-F289 HydrophobicContact CB-CD1 4.3Å; V226-F289 HydrophobicContact CG1-CB 4.4Å; V226-F289 HydrophobicContact CG1-CD1 3.95Å; L227-F289 PolarHBondContact N-O 2.83Å; F289-A291 HydrophobicContact CE1-CB 3.85Å; F289-A291 HydrophobicContact CZ-CB 4.16Å; F289-I302 HydrophobicContact CD2-CG2 4.34Å; F289-I302 HydrophobicContact CE2-CD1 4.07Å; F289-I302 HydrophobicContact CE2-CG2 3.65Å; F289-I302 HydrophobicContact CZ-CD1 3.75Å; F289-I302 HydrophobicContact CZ-CG2 4.38Å; F289-I303 CarbonylContact C-O 3.57Å; F289-W405 HydrophobicContact CE2-CB 3.78Å; F289-W405 HydrophobicContact CE2-CG 4.27Å; F289-W405 HydrophobicContact CZ-CB 4.05Å; F289-L406 HydrophobicContact CD1-CD2 4.03Å; F289-L406 HydrophobicContact CE1-CD2 4.21Å; F289-L406 HydrophobicContact CG-CD2 4.21Å; F289-L409 HydrophobicContact CD2-CD1 3.67Å; F289-L409 HydrophobicContact CE2-CD1 4.17Å; F289-L409 HydrophobicContact CG-CD1 4.29Å; F289-V416 HydrophobicContact CD2-CG2 3.91Å
290	G	98.7	Very high	98	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	139.9	177.3	0	0	0	0	0	111.3	L227 I303	L227-G290 CarbonylContact O-C 3.53Å; L227-G290 VanDerWaalsContact O-CA 3.22Å; L227-G290 WeakPolarHBondContact O-CA 3.2Å; G290-I303 PolarHBondContact N-O 3.29Å; G290-I303 PolarHBondContact O-N 3.36Å
291	A	98.8	Very high	98	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	146.5	172.8	0	0	0	0	0	112.2	L227 I228 D229 L278 F289 F293 M301 I302	L227-A291 PolarHBondContact O-N 3.26Å; I228-A291 WeakPolarHBondContact CA-O 3.47Å; D229-A291 PolarHBondContact N-O 3.17Å; L278-A291 WeakPolarHBondContact CD2-O 3.4Å; F289-A291 HydrophobicContact CE1-CB 3.85Å; F289-A291 HydrophobicContact CZ-CB 4.16Å; A291-F293 HydrophobicContact CB-CZ 4.29Å; A291-M301 WeakPolarHBondContact CA-O 3.23Å; A291-I302 HydrophobicContact CB-CD1 4.29Å
292	A	98.7	Very high	98.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	151.2	169.1	0	0	0	0	0	111.4	D229 P270 A275 L278 N300 M301	D229-A292 HydrophobicContact CB-CB 4.35Å; D229-A292 VanDerWaalsContact O-CA 3.23Å; D229-A292 WeakPolarHBondContact O-CA 3.34Å; P270-A292 HydrophobicContact CB-CB 3.74Å; P270-A292 WeakPolarHBondContact CB-O 3.36Å; A275-A292 HydrophobicContact CB-CB 4.31Å; L278-A292 HydrophobicContact CD2-CB 3.69Å; A292-N300 CarbonylContact O-C 3.52Å; A292-N300 VanDerWaalsContact O-CA 3.28Å; A292-N300 WeakPolarHBondContact O-CA 3.47Å; A292-M301 HydrophobicContact CB-CB 4.45Å; A292-M301 HydrophobicContact CB-CE 4.13Å; A292-M301 PolarHBondContact N-O 3.05Å; A292-M301 VanDerWaalsContact N-O 3.11Å; A292-M301 PolarHBondContact O-N 3.41Å
293	F	98.8	Very high	98.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	154.6	178.6	-48.6	-64.3	0	0	0	111.8	I228 D229 L231 T235 V239 A291 R299 N300 G398 I399 S402	I228-F293 HydrophobicContact CG2-CD2 4.21Å; I228-F293 HydrophobicContact CG2-CE2 3.47Å; I228-F293 VanDerWaalsContact CG2-CE2 3.47Å; I228-F293 HydrophobicContact CG2-CZ 4.24Å; D229-F293 PolarHBondContact O-N 3.01Å; L231-F293 WeakPolarHBondContact CD1-O 3.31Å; T235-F293 HydrophobicContact CG2-CB 3.77Å; T235-F293 HydrophobicContact CG2-CD2 4.21Å; T235-F293 HydrophobicContact CG2-CG 4.1Å; V239-F293 HydrophobicContact CG2-CD2 4.04Å; V239-F293 HydrophobicContact CG2-CE2 3.58Å; A291-F293 HydrophobicContact CB-CZ 4.29Å; F293-R299 WeakPolarHBondContact CA-O 3.16Å; F293-R299 WeakPolarHBondContact CD1-O 3.21Å; F293-N300 HydrophobicContact CD1-CB 4.1Å; F293-N300 HydrophobicContact CE1-CB 4.13Å; F293-G398 VanDerWaalsContact CE1-O 3.25Å; F293-G398 WeakPolarHBondContact CE1-O 3.36Å; F293-I399 HydrophobicContact CD2-CG1 4.49Å; F293-I399 HydrophobicContact CE1-CG1 4.32Å; F293-I399 HydrophobicContact CE2-CG1 4.13Å; F293-I399 HydrophobicContact CZ-CG1 4.04Å; F293-S402 WeakPolarHBondContact CZ-OG 3.23Å
294	D	98.2	Very high	98.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.			trans	-80.5	178.2	174.5	75.4	-33.6	0	0	0	112.8	S121 H122 P268 P270 D296 G297 D298 R299	S121-D294 PolarHBondContact OG-OD2 2.91Å; H122-D294 HydrophobicContact CB-CB 4.08Å; H122-D294 PolarHBondContact N-OD2 3.42Å; P268-D294 WeakPolarHBondContact O-CA 3.43Å; P268-D294 WeakPolarHBondContact O-CB 3.33Å; P270-D294 VanDerWaalsContact CD-CB 3.5Å; P270-D294 HydrophobicContact CG-CB 4.24Å; D294-D296 VanDerWaalsContact C-N 3.28Å; D294-D296 PolarHBondContact O-N 3.42Å; D294-D296 VanDerWaalsContact OD2-OD1 3.07Å; D294-G297 PolarHBondContact O-N 2.8Å; D294-G297 VanDerWaalsContact O-N 3.11Å; D294-G297 WeakPolarHBondContact OD1-CA 3.39Å; D294-G297 PolarHBondContact OD1-N 2.99Å; D294-G297 VanDerWaalsContact OD1-N 3.15Å; D294-D298 PolarHBondContact OD1-N 3.41Å; D294-R299 HydrophobicContact CB-CB 3.94Å; D294-R299 HydrophobicContact CB-CG 4.17Å; D294-R299 PolarHBondContact OD1-N 3.2Å; D294-R299 IonicContact OD2-NE 3.48Å
295	G	97.9	Very high	98.1	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-41.6	-174.3	0	0	0	0	0	114.5	D66 G233 V234 P268	D66-G295 WeakPolarHBondContact CB-O 3.02Å; G233-G295 WeakPolarHBondContact CA-O 3.05Å; V234-G295 WeakPolarHBondContact CG1-O 3.25Å; V234-G295 PolarHBondContact N-O 3.35Å; P268-G295 PolarHBondContact O-N 3.04Å
296	D	98.6	Very high	98.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	3.6	-179.5	70	-11.7	0	0	0	115	D66 T99 T100 T119 K134 D294 D298	D66-D296 HydrophobicContact CB-CB 4.12Å; T99-D296 CarbonylContact C-O 3.55Å; T99-D296 VanDerWaalsContact CA-O 3.22Å; T99-D296 WeakPolarHBondContact CA-O 3.4Å; T99-D296 VanDerWaalsContact CB-O 3.27Å; T99-D296 WeakPolarHBondContact CB-O 3.36Å; T100-D296 PolarHBondContact N-O 3.49Å; T100-D296 WeakPolarHBondContact OG1-CB 3.44Å; T100-D296 PolarHBondContact OG1-OD2 3.02Å; T119-D296 HydrophobicContact CG2-CB 4.13Å; T119-D296 WeakPolarHBondContact CG2-OD2 3.43Å; T119-D296 WeakPolarHBondContact OG1-CB 3.45Å; T119-D296 PolarHBondContact OG1-OD2 3.33Å; K134-D296 IonicContact NZ-OD2 3.34Å; K134-D296 PolarHBondContact NZ-OD2 2.94Å; D294-D296 VanDerWaalsContact C-N 3.28Å; D294-D296 PolarHBondContact O-N 3.42Å; D294-D296 VanDerWaalsContact OD2-OD1 3.07Å; D296-D298 VanDerWaalsContact C-N 3.33Å; D296-D298 PolarHBondContact O-N 3.39Å; D296-D298 VanDerWaalsContact OD1-CG 3.31Å
297	G	98.6	Very high	98.2	Very high	1 Å²	1	14 Å²	14	1%	0.01	7%	0.069	C	C	.	.	S	Bend	trans	76.4	14.5	173.8	0	0	0	0	0	115.5	D294 R299 G398	D294-G297 PolarHBondContact O-N 2.8Å; D294-G297 VanDerWaalsContact O-N 3.11Å; D294-G297 WeakPolarHBondContact OD1-CA 3.39Å; D294-G297 PolarHBondContact OD1-N 2.99Å; D294-G297 VanDerWaalsContact OD1-N 3.15Å; G297-R299 VanDerWaalsContact C-N 3.35Å; G297-G398 PolarHBondContact O-N 2.78Å; G297-G398 VanDerWaalsContact O-N 3.11Å
298	D	98.2	Very high	98.2	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	8%	0.076	C	C	.	.			trans	-87.4	-5.2	178.8	88.2	21.7	0	0	0	112.6	K134 D294 D296 K396	K134-D298 IonicContact NZ-OD2 3.33Å; K134-D298 PolarHBondContact NZ-OD2 3.08Å; D294-D298 PolarHBondContact OD1-N 3.41Å; D296-D298 VanDerWaalsContact C-N 3.33Å; D296-D298 PolarHBondContact O-N 3.39Å; D296-D298 VanDerWaalsContact OD1-CG 3.31Å; D298-K396 HydrophobicContact CB-CB 4.1Å; D298-K396 WeakPolarHBondContact O-CB 3.27Å; D298-K396 WeakPolarHBondContact OD1-CE 3.5Å; D298-K396 IonicContact OD1-NZ 3.87Å; D298-K396 PolarHBondContact OD1-NZ 3.47Å; D298-K396 WeakPolarHBondContact OD2-CE 3.3Å; D298-K396 IonicContact OD2-NZ 3.17Å; D298-K396 PolarHBondContact OD2-NZ 3.2Å
299	R	98.3	Very high	98.1	Very high	11 Å²	11	16.3 Å²	16.3	4%	0.042	8%	0.078	C	C	.	.			trans	-121	157.3	175.6	-58	-176.8	-172.1	-163.7	-0.7	113.5	H122 D269 P270 F293 D294 G297 S385 F386	H122-R299 PolarHBondContact CD2-NH1 3.41Å; H122-R299 PolarHBondContact CE1-NH2 3.47Å; H122-R299 VanDerWaalsContact CG-CZ 3.42Å; H122-R299 VanDerWaalsContact CG-NH1 3.33Å; H122-R299 PolarHBondContact ND1-NH2 3.38Å; H122-R299 VanDerWaalsContact ND1-NH2 3.12Å; H122-R299 PolarHBondContact NE2-NH1 3.06Å; H122-R299 PolarHBondContact NE2-NH2 3.12Å; D269-R299 IonicContact OD1-CZ 2.72Å; D269-R299 IonicContact OD1-NH1 2.87Å; D269-R299 PolarHBondContact OD1-NH1 3.44Å; D269-R299 IonicContact OD2-NH1 2.67Å; P270-R299 HydrophobicContact CG-CB 3.69Å; F293-R299 WeakPolarHBondContact CA-O 3.16Å; F293-R299 WeakPolarHBondContact CD1-O 3.21Å; D294-R299 HydrophobicContact CB-CB 3.94Å; D294-R299 HydrophobicContact CB-CG 4.17Å; D294-R299 PolarHBondContact OD1-N 3.2Å; D294-R299 IonicContact OD2-NE 3.48Å; G297-R299 VanDerWaalsContact C-N 3.35Å; R299-S385 VanDerWaalsContact CD-O 3.27Å; R299-S385 WeakPolarHBondContact CD-O 3.46Å; R299-F386 CarbonylContact C-O 3.56Å; R299-F386 VanDerWaalsContact CA-O 3.24Å; R299-F386 WeakPolarHBondContact CA-O 3.48Å; R299-F386 HydrophobicContact CB-CB 3.9Å; R299-F386 HydrophobicContact CG-CB 4.4Å
300	N	98.3	Very high	98.1	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.021	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	135.1	172.8	66.6	107.7	0	0	0	113.1	A292 F293 F386 S401	A292-N300 CarbonylContact O-C 3.52Å; A292-N300 VanDerWaalsContact O-CA 3.28Å; A292-N300 WeakPolarHBondContact O-CA 3.47Å; F293-N300 HydrophobicContact CD1-CB 4.1Å; F293-N300 HydrophobicContact CE1-CB 4.13Å; N300-F386 PolarHBondContact N-O 3.23Å; N300-F386 PolarHBondContact ND2-O 3Å; N300-F386 VanDerWaalsContact ND2-O 3.1Å; N300-F386 VanDerWaalsContact O-CB 3.29Å; N300-F386 WeakPolarHBondContact O-CB 3.35Å; N300-F386 WeakPolarHBondContact O-CD1 3.12Å; N300-S401 VanDerWaalsContact CG-CB 3.46Å; N300-S401 WeakPolarHBondContact ND2-CB 3.43Å; N300-S401 PolarHBondContact ND2-OG 2.65Å; N300-S401 WeakPolarHBondContact OD1-CB 3.39Å
301	M	98.5	Very high	98	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	140.7	162.7	-179.3	172.6	65.6	0	0	110	P270 L272 A275 L278 A291 A292 I303 F309 F386	P270-M301 HydrophobicContact CB-CB 3.84Å; P270-M301 WeakPolarHBondContact O-CB 3.35Å; L272-M301 HydrophobicContact CD2-SD 4.15Å; A275-M301 HydrophobicContact CB-CE 3.45Å; A275-M301 VanDerWaalsContact CB-CE 3.45Å; L278-M301 HydrophobicContact CD2-CE 4.03Å; A291-M301 WeakPolarHBondContact CA-O 3.23Å; A292-M301 HydrophobicContact CB-CB 4.45Å; A292-M301 HydrophobicContact CB-CE 4.13Å; A292-M301 PolarHBondContact N-O 3.05Å; A292-M301 VanDerWaalsContact N-O 3.11Å; A292-M301 PolarHBondContact O-N 3.41Å; M301-I303 HydrophobicContact CE-CD1 3.56Å; M301-I303 HydrophobicContact CE-CG1 4.22Å; M301-I303 HydrophobicContact CG-CD1 4.49Å; M301-I303 HydrophobicContact CG-CG1 4.18Å; M301-I303 HydrophobicContact SD-CD1 4.08Å; M301-I303 HydrophobicContact SD-CG1 4.35Å; M301-F309 HydrophobicContact CG-CD2 4.25Å; M301-F309 HydrophobicContact CG-CE2 3.85Å; M301-F309 HydrophobicContact SD-CD2 4.29Å; M301-F309 HydrophobicContact SD-CE2 3.97Å; M301-F386 HydrophobicContact CB-CD1 4.09Å; M301-F386 HydrophobicContact CB-CE1 4.06Å; M301-F386 HydrophobicContact CG-CE1 4.03Å
302	I	98.7	Very high	97.9	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.01	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.9	178.8	-55	-65	0	0	0	109.7	F289 A291 V310 W405	F289-I302 HydrophobicContact CD2-CG2 4.34Å; F289-I302 HydrophobicContact CE2-CD1 4.07Å; F289-I302 HydrophobicContact CE2-CG2 3.65Å; F289-I302 HydrophobicContact CZ-CD1 3.75Å; F289-I302 HydrophobicContact CZ-CG2 4.38Å; A291-I302 HydrophobicContact CB-CD1 4.29Å; I302-V310 HydrophobicContact CB-CB 4.24Å; I302-V310 HydrophobicContact CB-CG2 4.42Å; I302-V310 HydrophobicContact CG2-CB 4.37Å; I302-V310 HydrophobicContact CG2-CG2 4.03Å; I302-V310 PolarHBondContact O-N 3.03Å; I302-V310 VanDerWaalsContact O-N 3.08Å; I302-W405 HydrophobicContact CD1-CG 4.3Å; I302-W405 HydrophobicContact CG1-CG 4.37Å; I302-W405 HydrophobicContact CG2-CD2 4.16Å; I302-W405 HydrophobicContact CG2-CG 4.32Å
303	I	98.6	Very high	97.9	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.6	179	-57.5	179.9	0	0	0	108.8	L278 V279 M282 F289 G290 M301 F308	L278-I303 HydrophobicContact CD2-CD1 4.31Å; L278-I303 HydrophobicContact CG-CD1 4.33Å; V279-I303 HydrophobicContact CB-CD1 4.42Å; V279-I303 HydrophobicContact CG2-CD1 3.65Å; M282-I303 HydrophobicContact CB-CG2 3.79Å; M282-I303 HydrophobicContact CE-CG2 4.47Å; M282-I303 HydrophobicContact CG-CB 4.26Å; M282-I303 HydrophobicContact CG-CG2 3.84Å; F289-I303 CarbonylContact C-O 3.57Å; G290-I303 PolarHBondContact N-O 3.29Å; G290-I303 PolarHBondContact O-N 3.36Å; M301-I303 HydrophobicContact CE-CD1 3.56Å; M301-I303 HydrophobicContact CE-CG1 4.22Å; M301-I303 HydrophobicContact CG-CD1 4.49Å; M301-I303 HydrophobicContact CG-CG1 4.18Å; M301-I303 HydrophobicContact SD-CD1 4.08Å; M301-I303 HydrophobicContact SD-CG1 4.35Å; I303-F308 CarbonylContact C-O 3.57Å; I303-F308 WeakPolarHBondContact CA-O 3.49Å
304	G	98.6	Very high	97.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-179.5	172	0	0	0	0	0	113.6	M282 G307 F308	M282-G304 VanDerWaalsContact CE-O 3.25Å; M282-G304 WeakPolarHBondContact CE-O 3.48Å; G304-G307 PolarHBondContact O-N 3.13Å; G304-F308 PolarHBondContact N-O 3.38Å; G304-F308 PolarHBondContact O-N 2.78Å
305	E	97.3	Very high	97.9	Very high	63 Å²	63	17.6 Å²	17.6	29%	0.294	9%	0.086	S	C	.	.	G	3₁₀ helix	trans	-46.1	146.3	171	64	176.3	149.1	0	0	112.8	D288 G307 F308 S415	D288-E305 PolarHBondContact O-N 2.98Å; E305-G307 PolarHBondContact O-N 3.5Å; E305-G307 VanDerWaalsContact O-N 3.07Å; E305-F308 PolarHBondContact O-N 3.07Å; E305-S415 WeakPolarHBondContact OE1-CB 3.39Å; E305-S415 PolarHBondContact OE1-OG 2.78Å
306	K	96.1	Very high	97.9	Very high	152 Å²	152	17.7 Å²	17.7	66%	0.661	9%	0.086	S	C	*	.	G	3₁₀ helix	trans	56.4	24.7	178.2	-53.7	175.9	-175.2	172.3	0	113.7	M282	M282-K306 WeakPolarHBondContact O-CA 3.49Å; M282-K306 PolarHBondContact O-N 3.13Å
307	G	96.2	Very high	98	Very high	18 Å²	18	17.7 Å²	17.7	19%	0.186	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	79	24.3	177.2	0	0	0	0	0	114.6	M282 G304 E305 F309	M282-G307 PolarHBondContact O-N 3.47Å; G304-G307 PolarHBondContact O-N 3.13Å; E305-G307 PolarHBondContact O-N 3.5Å; E305-G307 VanDerWaalsContact O-N 3.07Å; G307-F309 PolarHBondContact O-N 3Å
308	F	97.2	Very high	98	Very high	50 Å²	50	17.7 Å²	17.7	22%	0.219	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	98.9	177.6	-170.8	-81.8	0	0	0	110.9	I303 G304 E305 V310 V420 W424	I303-F308 CarbonylContact C-O 3.57Å; I303-F308 WeakPolarHBondContact CA-O 3.49Å; G304-F308 PolarHBondContact N-O 3.38Å; G304-F308 PolarHBondContact O-N 2.78Å; E305-F308 PolarHBondContact O-N 3.07Å; F308-V310 HydrophobicContact CD1-CG2 4.41Å; F308-V420 HydrophobicContact CE1-CB 3.76Å; F308-V420 HydrophobicContact CE1-CG1 3.76Å; F308-V420 HydrophobicContact CE1-CG2 3.93Å; F308-V420 HydrophobicContact CZ-CB 4.09Å; F308-V420 HydrophobicContact CZ-CG1 3.86Å; F308-W424 AromaticContact CZ-CH2 3.91Å; F308-W424 HydrophobicContact CZ-CH2 3.91Å; F308-W424 HydrophobicContact CZ-CZ3 4.29Å
309	F	96.8	Very high	98	Very high	40 Å²	40	17.6 Å²	17.6	18%	0.175	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	135.5	179.1	175.3	-118.4	0	0	0	112.1	L272 M301 G307 T311 F386	L272-F309 HydrophobicContact CD1-CB 4.48Å; L272-F309 HydrophobicContact CD1-CD1 3.88Å; L272-F309 HydrophobicContact CD1-CD2 4.32Å; L272-F309 HydrophobicContact CD1-CE1 4.09Å; L272-F309 HydrophobicContact CD1-CG 3.99Å; L272-F309 HydrophobicContact CD1-CZ 4.41Å; L272-F309 HydrophobicContact CD2-CB 4.14Å; L272-F309 HydrophobicContact CD2-CD2 3.64Å; L272-F309 HydrophobicContact CD2-CE2 4.13Å; L272-F309 HydrophobicContact CD2-CG 3.89Å; L272-F309 HydrophobicContact CG-CD1 4.47Å; L272-F309 HydrophobicContact CG-CD2 4.07Å; L272-F309 HydrophobicContact CG-CE2 4.13Å; L272-F309 HydrophobicContact CG-CG 4.23Å; L272-F309 HydrophobicContact CG-CZ 4.37Å; M301-F309 HydrophobicContact CG-CD2 4.25Å; M301-F309 HydrophobicContact CG-CE2 3.85Å; M301-F309 HydrophobicContact SD-CD2 4.29Å; M301-F309 HydrophobicContact SD-CE2 3.97Å; G307-F309 PolarHBondContact O-N 3Å; F309-T311 HydrophobicContact CD1-CG2 4.44Å; F309-T311 HydrophobicContact CE1-CG2 4.07Å; F309-F386 AromaticContact CE2-CE1 3.9Å; F309-F386 HydrophobicContact CE2-CE1 3.9Å; F309-F386 HydrophobicContact CE2-CZ 4.28Å; F309-F386 AromaticContact CZ-CE1 3.92Å; F309-F386 HydrophobicContact CZ-CE1 3.92Å; F309-F386 HydrophobicContact CZ-CZ 4.05Å
310	V	98.1	Very high	98	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.018	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	120.9	171.6	-170.5	0	0	0	0	109.1	I302 F308 D314 W405 V416 V420	I302-V310 HydrophobicContact CB-CB 4.24Å; I302-V310 HydrophobicContact CB-CG2 4.42Å; I302-V310 HydrophobicContact CG2-CB 4.37Å; I302-V310 HydrophobicContact CG2-CG2 4.03Å; I302-V310 PolarHBondContact O-N 3.03Å; I302-V310 VanDerWaalsContact O-N 3.08Å; F308-V310 HydrophobicContact CD1-CG2 4.41Å; V310-D314 HydrophobicContact CG1-CB 3.89Å; V310-W405 HydrophobicContact CG1-CH2 4.23Å; V310-W405 HydrophobicContact CG1-CZ2 3.83Å; V310-W405 HydrophobicContact CG2-CH2 4.42Å; V310-V416 HydrophobicContact CG2-CG1 3.4Å; V310-V420 HydrophobicContact CG1-CG2 4.19Å; V310-V420 HydrophobicContact CG2-CG2 4.04Å
311	T	97.1	Very high	98	Very high	12 Å²	12	18 Å²	18	7%	0.074	9%	0.09	C	C	.	.			trans	-64.3	150.3	177	73.5	0	0	0	0	110.2	F309 S313 D314 S315	F309-T311 HydrophobicContact CD1-CG2 4.44Å; F309-T311 HydrophobicContact CE1-CG2 4.07Å; T311-S313 PolarHBondContact O-N 3.45Å; T311-S313 VanDerWaalsContact O-N 3.14Å; T311-D314 PolarHBondContact O-N 3.39Å; T311-D314 VanDerWaalsContact O-N 3.13Å; T311-D314 WeakPolarHBondContact OG1-CB 3.4Å; T311-D314 VanDerWaalsContact OG1-CG 3.23Å; T311-D314 PolarHBondContact OG1-N 3.49Å; T311-D314 VanDerWaalsContact OG1-N 3.07Å; T311-D314 PolarHBondContact OG1-OD2 3.15Å; T311-S315 WeakPolarHBondContact O-CB 2.9Å; T311-S315 PolarHBondContact O-N 2.94Å
312	P	97.6	Very high	98	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.032	10%	0.101	C	C	.	.	H	α-helix	trans	-56.2	-32.6	176.3	-32.1	41.5	0	0	0	113.2	L316 E384 F386	P312-L316 WeakPolarHBondContact O-CB 3.31Å; P312-L316 PolarHBondContact O-N 3.3Å; P312-E384 WeakPolarHBondContact CB-O 3.19Å; P312-E384 VanDerWaalsContact CG-O 3.29Å; P312-E384 WeakPolarHBondContact CG-O 3.46Å; P312-F386 HydrophobicContact CG-CD1 3.39Å; P312-F386 HydrophobicContact CG-CD2 4.4Å; P312-F386 HydrophobicContact CG-CE1 3.54Å; P312-F386 HydrophobicContact CG-CG 3.87Å; P312-F386 HydrophobicContact CG-CZ 4.13Å
313	S	97.9	Very high	98	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.007	10%	0.1	C	C	.	.	H	α-helix	trans	-70.9	-43.3	177.5	-52.7	0	0	0	0	112.6	T311 S315 A317 T344 A345	T311-S313 PolarHBondContact O-N 3.45Å; T311-S313 VanDerWaalsContact O-N 3.14Å; S313-S315 VanDerWaalsContact C-N 3.33Å; S313-A317 WeakPolarHBondContact O-CB 3.48Å; S313-A317 PolarHBondContact O-N 2.96Å; S313-A317 VanDerWaalsContact O-N 3.08Å; S313-T344 WeakPolarHBondContact OG-CG2 3.3Å; S313-A345 VanDerWaalsContact CB-CB 3.41Å; S313-A345 VanDerWaalsContact OG-CB 3.26Å; S313-A345 WeakPolarHBondContact OG-CB 3.44Å; S313-A345 PolarHBondContact OG-N 3.13Å
314	D	98.5	Very high	97.8	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-64	-41.6	172.9	-71	-52	0	0	0	110.7	V310 T311 A317 I318 W424	V310-D314 HydrophobicContact CG1-CB 3.89Å; T311-D314 PolarHBondContact O-N 3.39Å; T311-D314 VanDerWaalsContact O-N 3.13Å; T311-D314 WeakPolarHBondContact OG1-CB 3.4Å; T311-D314 VanDerWaalsContact OG1-CG 3.23Å; T311-D314 PolarHBondContact OG1-N 3.49Å; T311-D314 VanDerWaalsContact OG1-N 3.07Å; T311-D314 PolarHBondContact OG1-OD2 3.15Å; D314-A317 PolarHBondContact O-N 3.39Å; D314-I318 WeakPolarHBondContact O-CB 3.38Å; D314-I318 VanDerWaalsContact O-CG1 3.26Å; D314-I318 WeakPolarHBondContact O-CG1 3.32Å; D314-I318 PolarHBondContact O-N 2.86Å; D314-W424 PolarHBondContact OD1-NE1 2.6Å
315	S	98.8	Very high	97.6	Very high	2 Å²	2	25 Å²	25	1%	0.014	13%	0.128	C	C	.	.	H	α-helix	trans	-56.4	-53	176.9	-175.5	0	0	0	0	111.5	T311 S313 A317 I318 L319 W405	T311-S315 WeakPolarHBondContact O-CB 2.9Å; T311-S315 PolarHBondContact O-N 2.94Å; S313-S315 VanDerWaalsContact C-N 3.33Å; S315-A317 VanDerWaalsContact C-N 3.35Å; S315-A317 PolarHBondContact O-N 2.87Å; S315-I318 PolarHBondContact O-N 3Å; S315-L319 WeakPolarHBondContact O-CG 3.49Å; S315-L319 PolarHBondContact O-N 2.83Å; S315-W405 PolarHBondContact OG-NE1 3.12Å
316	L	98.9	Very high	97.5	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-56.1	-47.6	175.7	174.8	60.2	0	0	0	112.1	P312 I318 L319 A320 R340 T344 V348 I380 T388	P312-L316 WeakPolarHBondContact O-CB 3.31Å; P312-L316 PolarHBondContact O-N 3.3Å; L316-I318 PolarHBondContact O-N 3.23Å; L316-L319 PolarHBondContact O-N 3.07Å; L316-A320 VanDerWaalsContact O-CB 3.26Å; L316-A320 WeakPolarHBondContact O-CB 3.33Å; L316-A320 PolarHBondContact O-N 2.66Å; L316-R340 HydrophobicContact CD2-CB 3.88Å; L316-T344 HydrophobicContact CD2-CG2 4.34Å; L316-V348 HydrophobicContact CD2-CB 4.24Å; L316-V348 HydrophobicContact CD2-CG1 3.95Å; L316-V348 HydrophobicContact CG-CB 4.16Å; L316-V348 HydrophobicContact CG-CG1 4.41Å; L316-V348 HydrophobicContact CG-CG2 4.23Å; L316-I380 HydrophobicContact CD1-CG2 3.74Å; L316-T388 HydrophobicContact CD1-CG2 4.23Å
317	A	98.9	Very high	97.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-65.4	-39.7	-177.5	0	0	0	0	0	112.5	S313 D314 S315 A320 C321 A347 V348 V351	S313-A317 WeakPolarHBondContact O-CB 3.48Å; S313-A317 PolarHBondContact O-N 2.96Å; S313-A317 VanDerWaalsContact O-N 3.08Å; D314-A317 PolarHBondContact O-N 3.39Å; S315-A317 VanDerWaalsContact C-N 3.35Å; S315-A317 PolarHBondContact O-N 2.87Å; A317-A320 PolarHBondContact O-N 2.72Å; A317-C321 VanDerWaalsContact O-CB 3.3Å; A317-C321 WeakPolarHBondContact O-CB 3.49Å; A317-C321 PolarHBondContact O-N 3.13Å; A317-A347 HydrophobicContact CB-CB 3.6Å; A317-V348 HydrophobicContact CB-CB 4.31Å; A317-V351 HydrophobicContact CB-CG2 4.14Å
318	I	98.9	Very high	97.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-67.8	-48	177.6	-69.6	165.6	0	0	0	110.1	D314 S315 L316 A320 C321 H322 W405 V408 I419 V420 H423	D314-I318 WeakPolarHBondContact O-CB 3.38Å; D314-I318 VanDerWaalsContact O-CG1 3.26Å; D314-I318 WeakPolarHBondContact O-CG1 3.32Å; D314-I318 PolarHBondContact O-N 2.86Å; S315-I318 PolarHBondContact O-N 3Å; L316-I318 PolarHBondContact O-N 3.23Å; I318-A320 VanDerWaalsContact C-N 3.28Å; I318-A320 PolarHBondContact O-N 2.83Å; I318-C321 WeakPolarHBondContact O-CB 3.4Å; I318-C321 PolarHBondContact O-N 3.12Å; I318-C321 VanDerWaalsContact O-N 3.1Å; I318-H322 PolarHBondContact O-CD2 2.6Å; I318-H322 VanDerWaalsContact O-CD2 3.25Å; I318-H322 PolarHBondContact O-N 3.45Å; I318-H322 VanDerWaalsContact O-N 3.08Å; I318-W405 HydrophobicContact CB-CH2 4.19Å; I318-W405 HydrophobicContact CB-CZ2 4.18Å; I318-W405 HydrophobicContact CD1-CH2 3.64Å; I318-W405 HydrophobicContact CD1-CZ2 4.07Å; I318-W405 HydrophobicContact CG2-CH2 3.77Å; I318-W405 HydrophobicContact CG2-CZ2 4.09Å; I318-W405 HydrophobicContact CG2-CZ3 4.18Å; I318-V408 HydrophobicContact CG2-CG1 4.32Å; I318-I419 HydrophobicContact CG2-CG2 3.88Å; I318-V420 HydrophobicContact CD1-CB 4.25Å; I318-V420 HydrophobicContact CD1-CG2 3.54Å; I318-H423 HydrophobicContact CD1-CB 4.28Å; I318-H423 HydrophobicContact CG1-CB 3.95Å
319	L	98.9	Very high	97.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.4	-39.8	176.6	-64.3	-175.3	0	0	0	111.7	S315 L316 H322 A323 F326 T388 W400 A404 W405 V408	S315-L319 WeakPolarHBondContact O-CG 3.49Å; S315-L319 PolarHBondContact O-N 2.83Å; L316-L319 PolarHBondContact O-N 3.07Å; L319-H322 CarbonylContact O-C 3.55Å; L319-H322 PolarHBondContact O-N 2.93Å; L319-A323 PolarHBondContact O-N 3.03Å; L319-F326 HydrophobicContact CD2-CZ 4.23Å; L319-T388 HydrophobicContact CD1-CG2 4.03Å; L319-W400 HydrophobicContact CD1-CZ3 4.28Å; L319-A404 HydrophobicContact CD1-CB 4.13Å; L319-A404 HydrophobicContact CD2-CB 3.78Å; L319-W405 HydrophobicContact CD2-CD2 4.41Å; L319-W405 HydrophobicContact CD2-CG 4.1Å; L319-V408 HydrophobicContact CD2-CG2 4.05Å
320	A	98.8	Very high	97.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.4	-45	172.7	0	0	0	0	0	112.5	L316 A317 I318 H322 A323 Y338 V348 V351	L316-A320 VanDerWaalsContact O-CB 3.26Å; L316-A320 WeakPolarHBondContact O-CB 3.33Å; L316-A320 PolarHBondContact O-N 2.66Å; A317-A320 PolarHBondContact O-N 2.72Å; I318-A320 VanDerWaalsContact C-N 3.28Å; I318-A320 PolarHBondContact O-N 2.83Å; A320-H322 PolarHBondContact O-N 2.99Å; A320-A323 VanDerWaalsContact O-CB 3.26Å; A320-A323 WeakPolarHBondContact O-CB 3.18Å; A320-A323 PolarHBondContact O-N 3.48Å; A320-Y338 HydrophobicContact CB-CD1 3.7Å; A320-Y338 HydrophobicContact CB-CE1 3.51Å; A320-Y338 HydrophobicContact CB-CE2 4.41Å; A320-Y338 HydrophobicContact CB-CG 4.22Å; A320-Y338 PolarHBondContact O-OH 2.6Å; A320-V348 HydrophobicContact CB-CG2 3.72Å; A320-V351 HydrophobicContact CB-CG1 4.09Å
321	C	98.7	Very high	96.9	Very high	24 Å²	24	26.3 Å²	26.3	16%	0.162	14%	0.137	C	C	.	.	H	α-helix	trans	-64.3	-27.9	-179.2	-174.4	0	0	0	0	112.8	A317 I318 V351 F355	A317-C321 VanDerWaalsContact O-CB 3.3Å; A317-C321 WeakPolarHBondContact O-CB 3.49Å; A317-C321 PolarHBondContact O-N 3.13Å; I318-C321 WeakPolarHBondContact O-CB 3.4Å; I318-C321 PolarHBondContact O-N 3.12Å; I318-C321 VanDerWaalsContact O-N 3.1Å; C321-V351 HydrophobicContact CB-CG1 3.86Å; C321-V351 HydrophobicContact CB-CG2 4.24Å; C321-F355 HydrophobicContact CB-CE2 4.41Å
322	H	98.3	Very high	96.7	Very high	48 Å²	48	28.2 Å²	28.2	22%	0.222	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	8.1	-179.6	-70.4	-88.2	0	0	0	113.6	I318 L319 A320 D324 S325 V408 C412	I318-H322 PolarHBondContact O-CD2 2.6Å; I318-H322 VanDerWaalsContact O-CD2 3.25Å; I318-H322 PolarHBondContact O-N 3.45Å; I318-H322 VanDerWaalsContact O-N 3.08Å; L319-H322 CarbonylContact O-C 3.55Å; L319-H322 PolarHBondContact O-N 2.93Å; A320-H322 PolarHBondContact O-N 2.99Å; H322-D324 VanDerWaalsContact C-N 3.26Å; H322-D324 PolarHBondContact O-N 2.82Å; H322-D324 VanDerWaalsContact O-N 3.17Å; H322-S325 VanDerWaalsContact O-CB 3.31Å; H322-S325 WeakPolarHBondContact O-CB 3.45Å; H322-S325 PolarHBondContact O-N 3.49Å; H322-S325 PolarHBondContact O-OG 3.11Å; H322-V408 HydrophobicContact CB-CG1 4.31Å; H322-V408 HydrophobicContact CB-CG2 3.58Å; H322-C412 PolarHBondContact CE1-SG 2.9Å
323	A	97.6	Very high	96.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-55.5	-37.5	-173.6	0	0	0	0	0	113.5	L319 A320 S325 F326 F329 V335 Y338 I380	L319-A323 PolarHBondContact O-N 3.03Å; A320-A323 VanDerWaalsContact O-CB 3.26Å; A320-A323 WeakPolarHBondContact O-CB 3.18Å; A320-A323 PolarHBondContact O-N 3.48Å; A323-S325 PolarHBondContact O-N 2.91Å; A323-S325 VanDerWaalsContact O-N 3.1Å; A323-F326 PolarHBondContact O-N 3.15Å; A323-F329 HydrophobicContact CB-CD2 4.21Å; A323-F329 HydrophobicContact CB-CE2 4.27Å; A323-F329 WeakPolarHBondContact O-CD2 3.45Å; A323-V335 HydrophobicContact CB-CG1 4.35Å; A323-V335 HydrophobicContact CB-CG2 3.56Å; A323-Y338 HydrophobicContact CB-CE1 4.42Å; A323-I380 HydrophobicContact CB-CD1 3.62Å
324	D	94.8	Very high	96.4	Very high	69 Å²	69	32.9 Å²	32.9	37%	0.369	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-64.7	-15	178.3	-63.8	-64.3	0	0	0	114	H322 K330 R357	H322-D324 VanDerWaalsContact C-N 3.26Å; H322-D324 PolarHBondContact O-N 2.82Å; H322-D324 VanDerWaalsContact O-N 3.17Å; D324-K330 WeakPolarHBondContact O-CE 3.34Å; D324-R357 IonicContact OD1-CZ 2.84Å; D324-R357 IonicContact OD1-NH1 2.72Å; D324-R357 IonicContact OD1-NH2 3.73Å; D324-R357 PolarHBondContact OD1-NH2 2.89Å; D324-R357 IonicContact OD2-CZ 3.28Å; D324-R357 VanDerWaalsContact OD2-CZ 3.26Å; D324-R357 IonicContact OD2-NH1 2.82Å; D324-R357 PolarHBondContact OD2-NH1 3.34Å; D324-R357 IonicContact OD2-NH2 2.99Å; D324-R357 PolarHBondContact OD2-NH2 3.3Å
325	S	94.4	Very high	96.3	Very high	32 Å²	32	33.6 Å²	33.6	22%	0.224	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-80.7	-17.6	175.6	76.1	0	0	0	0	113.2	H322 A323 N411	H322-S325 VanDerWaalsContact O-CB 3.31Å; H322-S325 WeakPolarHBondContact O-CB 3.45Å; H322-S325 PolarHBondContact O-N 3.49Å; H322-S325 PolarHBondContact O-OG 3.11Å; A323-S325 PolarHBondContact O-N 2.91Å; A323-S325 VanDerWaalsContact O-N 3.1Å; S325-N411 WeakPolarHBondContact CB-ND2 3.2Å; S325-N411 PolarHBondContact OG-ND2 2.84Å
326	F	95.4	Very high	96.2	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.013	22%	0.218	C	C	.	.	S	Bend	trans	-79.7	127	-176.1	-53.2	-28.9	0	0	0	111.3	L319 A323 Y328 F329 K330 I380 A404 T407 V408	L319-F326 HydrophobicContact CD2-CZ 4.23Å; A323-F326 PolarHBondContact O-N 3.15Å; F326-Y328 PolarHBondContact O-N 3.11Å; F326-F329 HydrophobicContact CB-CD2 3.98Å; F326-F329 AromaticContact CD2-CD2 3.83Å; F326-F329 HydrophobicContact CD2-CD2 3.83Å; F326-F329 AromaticContact CD2-CE2 3.7Å; F326-F329 HydrophobicContact CD2-CE2 3.7Å; F326-F329 HydrophobicContact CE2-CE2 4.46Å; F326-F329 HydrophobicContact CG-CD2 4.4Å; F326-F329 PolarHBondContact O-N 2.86Å; F326-K330 PolarHBondContact O-N 3.18Å; F326-I380 HydrophobicContact CE2-CD1 4.12Å; F326-A404 HydrophobicContact CE1-CB 4.44Å; F326-A404 HydrophobicContact CE2-CB 4.26Å; F326-A404 HydrophobicContact CZ-CB 3.95Å; F326-T407 HydrophobicContact CD1-CG2 3.66Å; F326-T407 HydrophobicContact CE1-CG2 3.94Å; F326-V408 HydrophobicContact CE1-CG2 3.96Å; F326-V408 HydrophobicContact CZ-CG2 4.03Å
327	P	94.8	Very high	96.2	Very high	36 Å²	36	37.3 Å²	37.3	23%	0.234	22%	0.217	C	C	.	.	H	α-helix	trans	-54.5	-38.5	-179.6	-27.4	34.9	0	0	0	113.6	D207 F329 K330 N331	D207-P327 HydrophobicContact CB-CG 4.39Å; P327-F329 PolarHBondContact O-N 2.89Å; P327-K330 WeakPolarHBondContact O-CB 3.41Å; P327-K330 PolarHBondContact O-N 3.48Å; P327-N331 PolarHBondContact O-N 3.03Å; P327-N331 VanDerWaalsContact O-N 3.08Å; P327-N331 PolarHBondContact O-ND2 2.78Å
328	Y	96.4	Very high	96.2	Very high	37 Å²	37	37.3 Å²	37.3	15%	0.145	22%	0.217	C	C	.	.	H	α-helix	trans	-51.3	-53.2	177.4	174.4	-102.8	0	0	0	112.8	M205 F326 K330 N331 T332 D391 Y392	M205-Y328 HydrophobicContact CE-CD1 4.28Å; M205-Y328 HydrophobicContact CE-CD2 3.97Å; M205-Y328 HydrophobicContact CE-CE2 4.37Å; M205-Y328 HydrophobicContact CE-CG 3.92Å; M205-Y328 HydrophobicContact CG-CD2 4.06Å; M205-Y328 HydrophobicContact CG-CG 4.5Å; F326-Y328 PolarHBondContact O-N 3.11Å; Y328-K330 VanDerWaalsContact C-N 3.31Å; Y328-K330 PolarHBondContact O-N 3.4Å; Y328-N331 CarbonylContact O-C 3.5Å; Y328-N331 PolarHBondContact O-N 2.79Å; Y328-T332 HydrophobicContact CD2-CG2 4Å; Y328-T332 HydrophobicContact CE1-CG2 4.35Å; Y328-T332 HydrophobicContact CE2-CG2 3.55Å; Y328-T332 WeakPolarHBondContact O-CG2 3.36Å; Y328-T332 PolarHBondContact O-N 2.78Å; Y328-T332 PolarHBondContact O-OG1 2.97Å; Y328-D391 WeakPolarHBondContact CE1-OD1 3.46Å; Y328-Y392 WeakPolarHBondContact OH-CA 3.41Å; Y328-Y392 PolarHBondContact OH-N 2.72Å
329	F	96.2	Very high	96.2	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.013	22%	0.217	C	C	.	.	H	α-helix	trans	-67.5	-32	-177.3	-67.4	-55.1	0	0	0	112.5	A323 F326 P327 N331 T332 G334 V335 I380 C390 D391	A323-F329 HydrophobicContact CB-CD2 4.21Å; A323-F329 HydrophobicContact CB-CE2 4.27Å; A323-F329 WeakPolarHBondContact O-CD2 3.45Å; F326-F329 HydrophobicContact CB-CD2 3.98Å; F326-F329 AromaticContact CD2-CD2 3.83Å; F326-F329 HydrophobicContact CD2-CD2 3.83Å; F326-F329 AromaticContact CD2-CE2 3.7Å; F326-F329 HydrophobicContact CD2-CE2 3.7Å; F326-F329 HydrophobicContact CE2-CE2 4.46Å; F326-F329 HydrophobicContact CG-CD2 4.4Å; F326-F329 PolarHBondContact O-N 2.86Å; P327-F329 PolarHBondContact O-N 2.89Å; F329-N331 VanDerWaalsContact C-N 3.26Å; F329-N331 PolarHBondContact O-N 2.66Å; F329-T332 PolarHBondContact O-N 3.45Å; F329-G334 WeakPolarHBondContact O-CA 3.4Å; F329-G334 PolarHBondContact O-N 3.29Å; F329-V335 HydrophobicContact CB-CG2 4.15Å; F329-V335 HydrophobicContact CD2-CG2 4.29Å; F329-V335 HydrophobicContact CG-CG2 4.12Å; F329-I380 HydrophobicContact CE2-CD1 3.72Å; F329-I380 HydrophobicContact CE2-CG1 3.75Å; F329-I380 HydrophobicContact CZ-CD1 4.07Å; F329-I380 HydrophobicContact CZ-CG1 3.55Å; F329-C390 HydrophobicContact CE1-CB 4.35Å; F329-C390 HydrophobicContact CZ-CB 3.7Å; F329-D391 WeakPolarHBondContact CE1-OD1 3.43Å
330	K	91.4	Very high	96.1	Very high	141 Å²	141	37.6 Å²	37.6	61%	0.613	22%	0.219	S	C	*	.	H	α-helix	trans	-61.7	-37.9	172.1	-63.2	-179.6	-177.2	175.5	0	111.5	D324 F326 P327 Y328	D324-K330 WeakPolarHBondContact O-CE 3.34Å; F326-K330 PolarHBondContact O-N 3.18Å; P327-K330 WeakPolarHBondContact O-CB 3.41Å; P327-K330 PolarHBondContact O-N 3.48Å; Y328-K330 VanDerWaalsContact C-N 3.31Å; Y328-K330 PolarHBondContact O-N 3.4Å
331	N	92	Very high	96.1	Very high	134 Å²	134	37.6 Å²	37.6	72%	0.717	22%	0.219	S	C	*	.	H	α-helix	trans	-84.7	-10.7	-177.4	-65.2	-20.5	0	0	0	114	P327 Y328 F329	P327-N331 PolarHBondContact O-N 3.03Å; P327-N331 VanDerWaalsContact O-N 3.08Å; P327-N331 PolarHBondContact O-ND2 2.78Å; Y328-N331 CarbonylContact O-C 3.5Å; Y328-N331 PolarHBondContact O-N 2.79Å; F329-N331 VanDerWaalsContact C-N 3.26Å; F329-N331 PolarHBondContact O-N 2.66Å
332	T	93.2	Very high	96	Very high	52 Å²	52	36.6 Å²	36.6	32%	0.319	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	19	-176.8	58.2	0	0	0	0	114.5	Y328 F329	Y328-T332 HydrophobicContact CD2-CG2 4Å; Y328-T332 HydrophobicContact CE1-CG2 4.35Å; Y328-T332 HydrophobicContact CE2-CG2 3.55Å; Y328-T332 WeakPolarHBondContact O-CG2 3.36Å; Y328-T332 PolarHBondContact O-N 2.78Å; Y328-T332 PolarHBondContact O-OG1 2.97Å; F329-T332 PolarHBondContact O-N 3.45Å
333	G	92.8	Very high	96	Very high	79 Å²	79	34.4 Å²	34.4	81%	0.814	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.1	14.9	174.3	0	0	0	0	0	114.9
334	G	95.8	Very high	96	Very high	24 Å²	24	34.5 Å²	34.5	25%	0.247	20%	0.202	C	C	.	.	S	Bend	trans	89.3	-179.2	178.7	0	0	0	0	0	113.9	F329	F329-G334 WeakPolarHBondContact O-CA 3.4Å; F329-G334 PolarHBondContact O-N 3.29Å
335	V	97.9	Very high	96.1	Very high	19 Å²	19	31.2 Å²	31.2	12%	0.115	18%	0.184	C	C	.	.			trans	-80.3	120.3	179.8	-177.7	0	0	0	0	109.7	A323 F329 Y338	A323-V335 HydrophobicContact CB-CG1 4.35Å; A323-V335 HydrophobicContact CB-CG2 3.56Å; F329-V335 HydrophobicContact CB-CG2 4.15Å; F329-V335 HydrophobicContact CD2-CG2 4.29Å; F329-V335 HydrophobicContact CG-CG2 4.12Å; V335-Y338 HydrophobicContact CG1-CD1 4.46Å; V335-Y338 HydrophobicContact CG1-CE1 3.64Å
336	K	96.1	Very high	96.3	Very high	82 Å²	82	30.3 Å²	30.3	36%	0.357	18%	0.179	S	C	.	.			trans	-84.4	-38.1	-174.6	-62.2	153.8	-178.3	172.6	0	112.9	G376 S379 D391	K336-G376 WeakPolarHBondContact CD-O 3.28Å; K336-G376 WeakPolarHBondContact CG-O 3.23Å; K336-S379 PolarHBondContact N-OG 3.26Å; K336-D391 IonicContact NZ-OD2 3.25Å; K336-D391 PolarHBondContact NZ-OD2 3.04Å
337	G	98.2	Very high	96.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.7	177.3	-176.7	0	0	0	0	0	112	E358 R377 S379 I380	G337-E358 CarbonylContact C-O 3.53Å; G337-E358 WeakPolarHBondContact CA-O 3.42Å; G337-R377 WeakPolarHBondContact CA-O 3.25Å; G337-S379 PolarHBondContact O-N 3.31Å; G337-I380 PolarHBondContact O-N 3.32Å
338	Y	98.8	Very high	96.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	161.2	-179.4	-52.6	-61.2	0	0	0	111.4	A320 A323 V335 V348 V351 A352 R357 E358 C359 F360 I380	A320-Y338 HydrophobicContact CB-CD1 3.7Å; A320-Y338 HydrophobicContact CB-CE1 3.51Å; A320-Y338 HydrophobicContact CB-CE2 4.41Å; A320-Y338 HydrophobicContact CB-CG 4.22Å; A320-Y338 PolarHBondContact O-OH 2.6Å; A323-Y338 HydrophobicContact CB-CE1 4.42Å; V335-Y338 HydrophobicContact CG1-CD1 4.46Å; V335-Y338 HydrophobicContact CG1-CE1 3.64Å; Y338-V348 HydrophobicContact CG-CG2 4.19Å; Y338-V351 HydrophobicContact CE2-CG1 4.39Å; Y338-A352 HydrophobicContact CD2-CB 3.74Å; Y338-A352 HydrophobicContact CE2-CB 4.36Å; Y338-R357 HydrophobicContact CD2-CB 4.07Å; Y338-R357 HydrophobicContact CE2-CB 3.8Å; Y338-R357 VanDerWaalsContact CE2-CD 3.41Å; Y338-R357 HydrophobicContact CE2-CG 4.21Å; Y338-R357 WeakPolarHBondContact OH-CD 3.18Å; Y338-R357 PolarHBondContact OH-NH1 3.4Å; Y338-E358 PolarHBondContact N-O 3.48Å; Y338-C359 CarbonylContact O-C 3.59Å; Y338-C359 VanDerWaalsContact O-CA 3.25Å; Y338-C359 WeakPolarHBondContact O-CA 3.41Å; Y338-F360 PolarHBondContact O-N 2.99Å; Y338-I380 VanDerWaalsContact CA-O 3.29Å; Y338-I380 WeakPolarHBondContact CA-O 3.41Å; Y338-I380 HydrophobicContact CD1-CB 4.14Å; Y338-I380 HydrophobicContact CE1-CB 4.49Å
339	A	98.8	Very high	96.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	153.3	171	0	0	0	0	0	111.7	F360 F369 L372 L378 I380 C381 G382	A339-F360 CarbonylContact C-O 3.55Å; A339-F360 WeakPolarHBondContact CA-O 3.32Å; A339-F360 HydrophobicContact CB-CB 3.89Å; A339-F369 HydrophobicContact CB-CD1 3.55Å; A339-F369 HydrophobicContact CB-CE1 3.48Å; A339-F369 VanDerWaalsContact CB-CE1 3.48Å; A339-L372 HydrophobicContact CB-CD1 4.29Å; A339-L378 HydrophobicContact CB-CD1 3.54Å; A339-L378 HydrophobicContact CB-CD2 3.81Å; A339-L378 HydrophobicContact CB-CG 4.34Å; A339-L378 VanDerWaalsContact N-CD1 3.31Å; A339-I380 PolarHBondContact N-O 3.2Å; A339-I380 VanDerWaalsContact N-O 3.15Å; A339-C381 HydrophobicContact CB-CB 3.95Å; A339-C381 WeakPolarHBondContact O-CA 3.37Å; A339-C381 VanDerWaalsContact O-CB 3.23Å; A339-C381 WeakPolarHBondContact O-CB 3.5Å; A339-G382 PolarHBondContact O-N 3.45Å
340	R	98.6	Very high	96.8	Very high	7 Å²	7	31.9 Å²	31.9	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	155.1	171.5	61.9	167.4	177.8	79.3	8.9	110.6	L316 M342 T344 A345 V348 D349 F360 E361 V362 G382	L316-R340 HydrophobicContact CD2-CB 3.88Å; R340-M342 PolarHBondContact NH1-O 3.07Å; R340-T344 HydrophobicContact CB-CG2 4.1Å; R340-T344 PolarHBondContact NH1-O 3.37Å; R340-T344 VanDerWaalsContact NH1-O 3.13Å; R340-A345 WeakPolarHBondContact CD-O 3.28Å; R340-V348 HydrophobicContact CB-CG1 3.95Å; R340-V348 HydrophobicContact CG-CG1 3.96Å; R340-D349 IonicContact CZ-OD1 2.6Å; R340-D349 IonicContact CZ-OD2 2.78Å; R340-D349 IonicContact NE-OD1 3.6Å; R340-D349 PolarHBondContact NE-OD1 2.92Å; R340-D349 IonicContact NE-OD2 2.8Å; R340-D349 PolarHBondContact NE-OD2 2.86Å; R340-D349 IonicContact NH2-OD1 3.67Å; R340-D349 IonicContact NH2-OD2 2.66Å; R340-D349 PolarHBondContact NH2-OD2 3.26Å; R340-F360 PolarHBondContact N-O 3.21Å; R340-E361 IonicContact CZ-OE1 3.37Å; R340-E361 IonicContact NH1-OE1 3.2Å; R340-E361 PolarHBondContact NH1-OE1 3.2Å; R340-E361 IonicContact NH2-OE1 3.34Å; R340-E361 PolarHBondContact NH2-OE1 3.22Å; R340-E361 WeakPolarHBondContact O-CA 3.4Å; R340-V362 PolarHBondContact O-N 3.02Å; R340-G382 WeakPolarHBondContact CA-O 3.37Å
341	S	98	Very high	97.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	151.9	169.2	65.2	0	0	0	0	110.1	P343 T344 V362 G382	S341-P343 VanDerWaalsContact C-CD 3.43Å; S341-P343 VanDerWaalsContact C-N 3.3Å; S341-T344 VanDerWaalsContact O-CB 3.22Å; S341-T344 WeakPolarHBondContact O-CB 3.38Å; S341-T344 PolarHBondContact O-N 2.91Å; S341-T344 PolarHBondContact O-OG1 2.82Å; S341-T344 PolarHBondContact OG-OG1 3.31Å; S341-V362 CarbonylContact C-O 3.53Å; S341-V362 VanDerWaalsContact CA-O 3.24Å; S341-V362 WeakPolarHBondContact CA-O 3.45Å; S341-G382 PolarHBondContact N-O 3.43Å
342	M	97.3	Very high	97.4	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.01	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-40.3	-177.8	179.4	-80.9	-69.9	0	0	113.4	R340 T344 E361 V362 F481 R498 V508	R340-M342 PolarHBondContact NH1-O 3.07Å; M342-T344 VanDerWaalsContact C-N 3.28Å; M342-T344 PolarHBondContact O-N 2.96Å; M342-E361 HydrophobicContact CB-CG 4.04Å; M342-E361 HydrophobicContact CG-CG 4.44Å; M342-V362 PolarHBondContact N-O 3.27Å; M342-F481 HydrophobicContact CB-CD1 3.86Å; M342-F481 HydrophobicContact CB-CE1 3.75Å; M342-F481 HydrophobicContact CB-CE2 4.44Å; M342-F481 HydrophobicContact CB-CG 4.29Å; M342-F481 HydrophobicContact CB-CZ 4.06Å; M342-F481 HydrophobicContact CE-CB 3.88Å; M342-F481 HydrophobicContact CE-CD1 4.31Å; M342-F481 HydrophobicContact CE-CG 4.22Å; M342-F481 HydrophobicContact CG-CB 4.27Å; M342-F481 HydrophobicContact CG-CD1 3.79Å; M342-F481 HydrophobicContact CG-CD2 3.81Å; M342-F481 HydrophobicContact CG-CE1 4.03Å; M342-F481 HydrophobicContact CG-CE2 4.02Å; M342-F481 HydrophobicContact CG-CG 3.7Å; M342-F481 HydrophobicContact CG-CZ 4.14Å; M342-R498 HydrophobicContact SD-CB 4.39Å; M342-V508 HydrophobicContact CE-CG1 3.62Å; M342-V508 HydrophobicContact SD-CB 4.25Å; M342-V508 HydrophobicContact SD-CG1 3.55Å; M342-V508 VanDerWaalsContact SD-CG1 3.55Å; M342-V508 HydrophobicContact SD-CG2 3.6Å
343	P	96.9	Very high	97.7	Very high	3 Å²	3	25 Å²	25	2%	0.019	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-16.3	176.6	-20.5	35.1	0	0	0	115.1	S341 E384 F432 V508 Y524	S341-P343 VanDerWaalsContact C-CD 3.43Å; S341-P343 VanDerWaalsContact C-N 3.3Å; P343-E384 HydrophobicContact CB-CG 4Å; P343-F432 WeakPolarHBondContact O-CE2 3.3Å; P343-V508 HydrophobicContact CG-CG1 4.46Å; P343-Y524 HydrophobicContact CB-CD1 3.69Å; P343-Y524 HydrophobicContact CB-CD2 4.04Å; P343-Y524 HydrophobicContact CB-CE1 3.56Å; P343-Y524 HydrophobicContact CB-CE2 3.96Å; P343-Y524 HydrophobicContact CB-CG 3.92Å; P343-Y524 HydrophobicContact CG-CE1 4.44Å; P343-Y524 HydrophobicContact CG-CE2 4.33Å
344	T	97.9	Very high	97.9	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	14%	0.136	C	C	.	.	S	Bend	trans	-71.9	140.1	-179.4	-52.2	0	0	0	0	110.6	S313 L316 R340 S341 M342 E383 E384 R506	S313-T344 WeakPolarHBondContact OG-CG2 3.3Å; L316-T344 HydrophobicContact CD2-CG2 4.34Å; R340-T344 HydrophobicContact CB-CG2 4.1Å; R340-T344 PolarHBondContact NH1-O 3.37Å; R340-T344 VanDerWaalsContact NH1-O 3.13Å; S341-T344 VanDerWaalsContact O-CB 3.22Å; S341-T344 WeakPolarHBondContact O-CB 3.38Å; S341-T344 PolarHBondContact O-N 2.91Å; S341-T344 PolarHBondContact O-OG1 2.82Å; S341-T344 PolarHBondContact OG-OG1 3.31Å; M342-T344 VanDerWaalsContact C-N 3.28Å; M342-T344 PolarHBondContact O-N 2.96Å; T344-E383 WeakPolarHBondContact OG1-CA 3.39Å; T344-E384 PolarHBondContact OG1-N 3.44Å; T344-R506 PolarHBondContact O-NH2 3.24Å
345	A	97.8	Very high	98	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.142	C	C	.	.			trans	-61	150.7	-178.5	0	0	0	0	0	111.3	S313 R340 A347 N430 F432 R506 D526	S313-A345 VanDerWaalsContact CB-CB 3.41Å; S313-A345 VanDerWaalsContact OG-CB 3.26Å; S313-A345 WeakPolarHBondContact OG-CB 3.44Å; S313-A345 PolarHBondContact OG-N 3.13Å; R340-A345 WeakPolarHBondContact CD-O 3.28Å; A345-A347 PolarHBondContact O-N 3.12Å; A345-N430 HydrophobicContact CB-CB 4.09Å; A345-F432 HydrophobicContact CB-CB 3.98Å; A345-F432 HydrophobicContact CB-CD2 3.76Å; A345-F432 HydrophobicContact CB-CG 4.1Å; A345-R506 VanDerWaalsContact CA-NH2 3.33Å; A345-D526 WeakPolarHBondContact CA-OD2 3.44Å; A345-D526 HydrophobicContact CB-CB 4.4Å
346	A	97	Very high	97.9	Very high	14 Å²	14	37.5 Å²	37.5	12%	0.116	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	19.2	-170.1	0	0	0	0	0	114.3	V348 D349 D526	A346-V348 VanDerWaalsContact C-N 3.34Å; A346-V348 PolarHBondContact O-N 3.27Å; A346-D349 WeakPolarHBondContact O-CB 3.28Å; A346-D349 PolarHBondContact O-N 2.76Å; A346-D526 PolarHBondContact N-OD2 3.27Å
347	A	98.5	Very high	98	Very high	4 Å²	4	36 Å²	36	3%	0.033	17%	0.168	C	C	.	.	H	α-helix	trans	-58.7	-43.8	-177.3	0	0	0	0	0	112.1	A317 A345 D349 R350 N430	A317-A347 HydrophobicContact CB-CB 3.6Å; A345-A347 PolarHBondContact O-N 3.12Å; A347-D349 VanDerWaalsContact C-N 3.29Å; A347-D349 PolarHBondContact O-N 2.76Å; A347-R350 WeakPolarHBondContact O-CB 3.41Å; A347-R350 PolarHBondContact O-N 2.96Å; A347-N430 HydrophobicContact CB-CB 4.15Å
348	V	98.7	Very high	97.9	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-67.8	-27.4	-180	69	0	0	0	0	113	L316 A317 A320 Y338 R340 A346 R350 V351 A352	L316-V348 HydrophobicContact CD2-CB 4.24Å; L316-V348 HydrophobicContact CD2-CG1 3.95Å; L316-V348 HydrophobicContact CG-CB 4.16Å; L316-V348 HydrophobicContact CG-CG1 4.41Å; L316-V348 HydrophobicContact CG-CG2 4.23Å; A317-V348 HydrophobicContact CB-CB 4.31Å; A320-V348 HydrophobicContact CB-CG2 3.72Å; Y338-V348 HydrophobicContact CG-CG2 4.19Å; R340-V348 HydrophobicContact CB-CG1 3.95Å; R340-V348 HydrophobicContact CG-CG1 3.96Å; A346-V348 VanDerWaalsContact C-N 3.34Å; A346-V348 PolarHBondContact O-N 3.27Å; V348-R350 PolarHBondContact O-N 2.87Å; V348-V351 WeakPolarHBondContact O-CB 3.27Å; V348-V351 PolarHBondContact O-N 3.35Å; V348-A352 WeakPolarHBondContact O-CB 3.47Å; V348-A352 PolarHBondContact O-N 3.36Å
349	D	98.6	Very high	97.9	Very high	50 Å²	50	41.8 Å²	41.8	27%	0.267	20%	0.198	S	C	.	.	H	α-helix	trans	-61.9	-34.6	177.4	-56.5	-0.9	0	0	0	110.6	R340 A346 A347 A352 K353 C359	R340-D349 IonicContact CZ-OD1 2.6Å; R340-D349 IonicContact CZ-OD2 2.78Å; R340-D349 IonicContact NE-OD1 3.6Å; R340-D349 PolarHBondContact NE-OD1 2.92Å; R340-D349 IonicContact NE-OD2 2.8Å; R340-D349 PolarHBondContact NE-OD2 2.86Å; R340-D349 IonicContact NH2-OD1 3.67Å; R340-D349 IonicContact NH2-OD2 2.66Å; R340-D349 PolarHBondContact NH2-OD2 3.26Å; A346-D349 WeakPolarHBondContact O-CB 3.28Å; A346-D349 PolarHBondContact O-N 2.76Å; A347-D349 VanDerWaalsContact C-N 3.29Å; A347-D349 PolarHBondContact O-N 2.76Å; D349-A352 PolarHBondContact O-N 2.75Å; D349-K353 WeakPolarHBondContact O-CB 3.35Å; D349-K353 PolarHBondContact O-N 2.98Å; D349-C359 PolarHBondContact OD1-SG 3.38Å; D349-C359 VanDerWaalsContact OD1-SG 3.39Å
350	R	98	Very high	97.9	Very high	56 Å²	56	42.7 Å²	42.7	21%	0.211	20%	0.202	C	C	.	.	H	α-helix	trans	-70.8	-39.4	178.6	-57.6	175.9	174.1	-77.8	-11.8	111.5	A347 V348 K353 K354 F427 N430 Y528	A347-R350 WeakPolarHBondContact O-CB 3.41Å; A347-R350 PolarHBondContact O-N 2.96Å; V348-R350 PolarHBondContact O-N 2.87Å; R350-K353 PolarHBondContact O-N 3.4Å; R350-K354 WeakPolarHBondContact O-CB 3.5Å; R350-K354 PolarHBondContact O-N 3.47Å; R350-F427 HydrophobicContact CB-CB 4.31Å; R350-F427 HydrophobicContact CB-CD1 4.14Å; R350-F427 VanDerWaalsContact CD-O 3.29Å; R350-F427 WeakPolarHBondContact CD-O 3.28Å; R350-N430 PolarHBondContact NE-OD1 2.83Å; R350-Y528 VanDerWaalsContact NE-CE2 3.3Å; R350-Y528 PolarHBondContact NH1-OH 3Å; R350-Y528 VanDerWaalsContact NH1-OH 3.14Å
351	V	98.7	Very high	97.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-50	172.6	177.2	0	0	0	0	109.8	A317 A320 C321 Y338 V348 K353 K354 F355 F427	A317-V351 HydrophobicContact CB-CG2 4.14Å; A320-V351 HydrophobicContact CB-CG1 4.09Å; C321-V351 HydrophobicContact CB-CG1 3.86Å; C321-V351 HydrophobicContact CB-CG2 4.24Å; Y338-V351 HydrophobicContact CE2-CG1 4.39Å; V348-V351 WeakPolarHBondContact O-CB 3.27Å; V348-V351 PolarHBondContact O-N 3.35Å; V351-K353 VanDerWaalsContact C-N 3.32Å; V351-K353 PolarHBondContact O-N 2.95Å; V351-K354 WeakPolarHBondContact O-CB 3.48Å; V351-K354 PolarHBondContact O-N 3.38Å; V351-K354 VanDerWaalsContact O-N 3.09Å; V351-F355 HydrophobicContact CG1-CD2 3.73Å; V351-F355 HydrophobicContact CG1-CE2 3.9Å; V351-F355 VanDerWaalsContact O-CD2 3.26Å; V351-F355 WeakPolarHBondContact O-CD2 3.46Å; V351-F355 PolarHBondContact O-N 2.95Å; V351-F427 HydrophobicContact CG2-CD1 4.39Å; V351-F427 HydrophobicContact CG2-CD2 4.49Å; V351-F427 HydrophobicContact CG2-CE1 4.15Å; V351-F427 HydrophobicContact CG2-CE2 4.29Å; V351-F427 HydrophobicContact CG2-CZ 4.12Å
352	A	98.7	Very high	97.9	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-56	-46.7	178.3	0	0	0	0	0	112	Y338 V348 D349 K354 F355 N356 R357 C359	Y338-A352 HydrophobicContact CD2-CB 3.74Å; Y338-A352 HydrophobicContact CE2-CB 4.36Å; V348-A352 WeakPolarHBondContact O-CB 3.47Å; V348-A352 PolarHBondContact O-N 3.36Å; D349-A352 PolarHBondContact O-N 2.75Å; A352-K354 PolarHBondContact O-N 3.11Å; A352-F355 CarbonylContact O-C 3.48Å; A352-F355 PolarHBondContact O-N 2.8Å; A352-N356 WeakPolarHBondContact O-CA 3.35Å; A352-N356 PolarHBondContact O-N 2.7Å; A352-R357 WeakPolarHBondContact CB-O 3.16Å; A352-R357 PolarHBondContact O-N 3.27Å; A352-C359 HydrophobicContact CB-CB 3.49Å; A352-C359 VanDerWaalsContact CB-CB 3.49Å
353	K	98.2	Very high	97.8	Very high	182 Å²	182	44.5 Å²	44.5	79%	0.791	21%	0.211	S	C	*	.	H	α-helix	trans	-59.6	-43.4	175.6	-174.3	177.6	-179.9	179.5	0	112.4	D349 R350 V351 F355 N356	D349-K353 WeakPolarHBondContact O-CB 3.35Å; D349-K353 PolarHBondContact O-N 2.98Å; R350-K353 PolarHBondContact O-N 3.4Å; V351-K353 VanDerWaalsContact C-N 3.32Å; V351-K353 PolarHBondContact O-N 2.95Å; K353-F355 VanDerWaalsContact C-N 3.34Å; K353-F355 PolarHBondContact O-N 3.38Å; K353-N356 PolarHBondContact O-N 2.77Å
354	K	97.8	Very high	97.6	Very high	150 Å²	150	45.3 Å²	45.3	65%	0.652	22%	0.216	S	C	*	.	H	α-helix	trans	-63.6	-38.4	179.3	177.8	64.9	174.7	-173.9	0	112.8	R350 V351 A352 F427	R350-K354 WeakPolarHBondContact O-CB 3.5Å; R350-K354 PolarHBondContact O-N 3.47Å; V351-K354 WeakPolarHBondContact O-CB 3.48Å; V351-K354 PolarHBondContact O-N 3.38Å; V351-K354 VanDerWaalsContact O-N 3.09Å; A352-K354 PolarHBondContact O-N 3.11Å; K354-F427 HydrophobicContact CB-CE1 3.61Å; K354-F427 HydrophobicContact CB-CZ 4.42Å; K354-F427 HydrophobicContact CG-CE1 3.81Å; K354-F427 HydrophobicContact CG-CZ 4.26Å
355	F	96.8	Very high	97.3	Very high	81 Å²	81	45.4 Å²	45.4	36%	0.355	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	4.9	179.7	-69.2	-76.2	0	0	0	113.6	C321 V351 A352 K353 R357	C321-F355 HydrophobicContact CB-CE2 4.41Å; V351-F355 HydrophobicContact CG1-CD2 3.73Å; V351-F355 HydrophobicContact CG1-CE2 3.9Å; V351-F355 VanDerWaalsContact O-CD2 3.26Å; V351-F355 WeakPolarHBondContact O-CD2 3.46Å; V351-F355 PolarHBondContact O-N 2.95Å; A352-F355 CarbonylContact O-C 3.48Å; A352-F355 PolarHBondContact O-N 2.8Å; K353-F355 VanDerWaalsContact C-N 3.34Å; K353-F355 PolarHBondContact O-N 3.38Å; F355-R357 VanDerWaalsContact C-N 3.25Å; F355-R357 HydrophobicContact CB-CG 4.1Å; F355-R357 PolarHBondContact O-N 3.07Å
356	N	97.2	Very high	97.2	Very high	154 Å²	154	45.7 Å²	45.7	82%	0.824	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	45.9	-174.4	-167.1	49	0	0	0	112.6	A352 K353	A352-N356 WeakPolarHBondContact O-CA 3.35Å; A352-N356 PolarHBondContact O-N 2.7Å; K353-N356 PolarHBondContact O-N 2.77Å
357	R	97.2	Very high	97	Very high	51 Å²	51	46.1 Å²	46.1	19%	0.192	22%	0.218	C	C	.	.			trans	-108.4	148.7	178.9	-72.9	174.1	174.2	155.7	3.7	110	D324 Y338 A352 F355	D324-R357 IonicContact OD1-CZ 2.84Å; D324-R357 IonicContact OD1-NH1 2.72Å; D324-R357 IonicContact OD1-NH2 3.73Å; D324-R357 PolarHBondContact OD1-NH2 2.89Å; D324-R357 IonicContact OD2-CZ 3.28Å; D324-R357 VanDerWaalsContact OD2-CZ 3.26Å; D324-R357 IonicContact OD2-NH1 2.82Å; D324-R357 PolarHBondContact OD2-NH1 3.34Å; D324-R357 IonicContact OD2-NH2 2.99Å; D324-R357 PolarHBondContact OD2-NH2 3.3Å; Y338-R357 HydrophobicContact CD2-CB 4.07Å; Y338-R357 HydrophobicContact CE2-CB 3.8Å; Y338-R357 VanDerWaalsContact CE2-CD 3.41Å; Y338-R357 HydrophobicContact CE2-CG 4.21Å; Y338-R357 WeakPolarHBondContact OH-CD 3.18Å; Y338-R357 PolarHBondContact OH-NH1 3.4Å; A352-R357 WeakPolarHBondContact CB-O 3.16Å; A352-R357 PolarHBondContact O-N 3.27Å; F355-R357 VanDerWaalsContact C-N 3.25Å; F355-R357 HydrophobicContact CB-CG 4.1Å; F355-R357 PolarHBondContact O-N 3.07Å
358	E	97.4	Very high	96.8	Very high	79 Å²	79	46.6 Å²	46.6	37%	0.369	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	140.4	173.8	-172.2	159.9	-139.7	0	0	110.8	G337 Y338 F360 R377	G337-E358 CarbonylContact C-O 3.53Å; G337-E358 WeakPolarHBondContact CA-O 3.42Å; Y338-E358 PolarHBondContact N-O 3.48Å; E358-F360 HydrophobicContact CB-CE2 4.41Å; E358-F360 HydrophobicContact CG-CD2 4.2Å; E358-F360 HydrophobicContact CG-CE1 4.09Å; E358-F360 HydrophobicContact CG-CE2 3.57Å; E358-F360 HydrophobicContact CG-CZ 3.53Å; E358-F360 WeakPolarHBondContact OE1-CZ 3.31Å; E358-F360 WeakPolarHBondContact OE2-CZ 3.42Å; E358-R377 IonicContact OE1-CZ 3.87Å; E358-R377 IonicContact OE1-NH2 2.72Å; E358-R377 PolarHBondContact OE1-NH2 3.47Å; E358-R377 IonicContact OE2-CZ 3.17Å; E358-R377 VanDerWaalsContact OE2-CZ 3.28Å; E358-R377 IonicContact OE2-NE 2.79Å; E358-R377 PolarHBondContact OE2-NE 3.31Å; E358-R377 IonicContact OE2-NH2 3.99Å; E358-R377 PolarHBondContact OE2-NH2 3.4Å
359	C	98.7	Very high	96.8	Very high	41 Å²	41	46.6 Å²	46.6	28%	0.277	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	122.4	175	-161.3	0	0	0	0	110.3	Y338 D349 A352	Y338-C359 CarbonylContact O-C 3.59Å; Y338-C359 VanDerWaalsContact O-CA 3.25Å; Y338-C359 WeakPolarHBondContact O-CA 3.41Å; D349-C359 PolarHBondContact OD1-SG 3.38Å; D349-C359 VanDerWaalsContact OD1-SG 3.39Å; A352-C359 HydrophobicContact CB-CB 3.49Å; A352-C359 VanDerWaalsContact CB-CB 3.49Å
360	F	98.6	Very high	96.7	Very high	19 Å²	19	44.3 Å²	44.3	8%	0.083	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	137.6	178.4	-57.7	-86.1	0	0	0	111.8	Y338 A339 R340 E358 V362 L372 R377 P486	Y338-F360 PolarHBondContact O-N 2.99Å; A339-F360 CarbonylContact C-O 3.55Å; A339-F360 WeakPolarHBondContact CA-O 3.32Å; A339-F360 HydrophobicContact CB-CB 3.89Å; R340-F360 PolarHBondContact N-O 3.21Å; E358-F360 HydrophobicContact CB-CE2 4.41Å; E358-F360 HydrophobicContact CG-CD2 4.2Å; E358-F360 HydrophobicContact CG-CE1 4.09Å; E358-F360 HydrophobicContact CG-CE2 3.57Å; E358-F360 HydrophobicContact CG-CZ 3.53Å; E358-F360 WeakPolarHBondContact OE1-CZ 3.31Å; E358-F360 WeakPolarHBondContact OE2-CZ 3.42Å; F360-V362 HydrophobicContact CB-CG1 4.11Å; F360-L372 HydrophobicContact CB-CD1 3.75Å; F360-L372 HydrophobicContact CD1-CD1 4.34Å; F360-L372 HydrophobicContact CD1-CD2 4.04Å; F360-L372 HydrophobicContact CD2-CD1 3.77Å; F360-L372 HydrophobicContact CD2-CD2 4.18Å; F360-L372 HydrophobicContact CE1-CD2 3.96Å; F360-L372 HydrophobicContact CE2-CD1 4.42Å; F360-L372 HydrophobicContact CE2-CD2 4.08Å; F360-L372 HydrophobicContact CG-CD1 3.7Å; F360-L372 HydrophobicContact CG-CD2 4.13Å; F360-L372 HydrophobicContact CZ-CD2 3.94Å; F360-R377 HydrophobicContact CE2-CB 4.04Å; F360-R377 HydrophobicContact CZ-CB 4.11Å; F360-P486 HydrophobicContact CD1-CG 4.14Å; F360-P486 HydrophobicContact CE1-CB 4.44Å; F360-P486 HydrophobicContact CE1-CG 3.75Å
361	E	98.2	Very high	96.6	Very high	46 Å²	46	43.4 Å²	43.4	22%	0.215	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	115.9	164.9	-177.2	179.6	-118.9	0	0	108.7	R340 M342 F481 R498 R506	R340-E361 IonicContact CZ-OE1 3.37Å; R340-E361 IonicContact NH1-OE1 3.2Å; R340-E361 PolarHBondContact NH1-OE1 3.2Å; R340-E361 IonicContact NH2-OE1 3.34Å; R340-E361 PolarHBondContact NH2-OE1 3.22Å; R340-E361 WeakPolarHBondContact O-CA 3.4Å; M342-E361 HydrophobicContact CB-CG 4.04Å; M342-E361 HydrophobicContact CG-CG 4.44Å; E361-F481 HydrophobicContact CG-CE2 4.4Å; E361-F481 HydrophobicContact CG-CZ 4.1Å; E361-F481 WeakPolarHBondContact OE2-CE2 3.27Å; E361-R498 VanDerWaalsContact CD-NH1 3.27Å; E361-R498 IonicContact OE1-NH1 2.73Å; E361-R498 PolarHBondContact OE1-NH1 2.97Å; E361-R498 IonicContact OE2-CZ 2.7Å; E361-R498 IonicContact OE2-NH1 2.77Å; E361-R498 PolarHBondContact OE2-NH1 3.43Å; E361-R506 IonicContact OE1-NH1 2.67Å; E361-R506 PolarHBondContact OE1-NH1 2.96Å
362	V	97.9	Very high	96.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	165.9	-175.1	-53.5	0	0	0	0	111.4	R340 S341 M342 F360 F368 F369 L372 Y483	R340-V362 PolarHBondContact O-N 3.02Å; S341-V362 CarbonylContact C-O 3.53Å; S341-V362 VanDerWaalsContact CA-O 3.24Å; S341-V362 WeakPolarHBondContact CA-O 3.45Å; M342-V362 PolarHBondContact N-O 3.27Å; F360-V362 HydrophobicContact CB-CG1 4.11Å; V362-F368 HydrophobicContact CB-CB 3.86Å; V362-F368 HydrophobicContact CG1-CB 4.33Å; V362-F368 HydrophobicContact CG2-CB 4.01Å; V362-F369 HydrophobicContact CB-CE1 4.46Å; V362-F369 HydrophobicContact CG2-CD1 3.64Å; V362-F369 HydrophobicContact CG2-CE1 3.15Å; V362-F369 HydrophobicContact CG2-CE2 4.28Å; V362-F369 HydrophobicContact CG2-CG 4.4Å; V362-F369 HydrophobicContact CG2-CZ 3.52Å; V362-L372 HydrophobicContact CG1-CD1 3.88Å; V362-Y483 HydrophobicContact CB-CE2 4.19Å; V362-Y483 HydrophobicContact CG1-CD2 4.5Å; V362-Y483 HydrophobicContact CG1-CE2 3.72Å
363	P	95.1	Very high	96.5	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	21%	0.207	C	C	.	.			trans	-66.5	167	171.9	-16	30.3	0	0	0	112.2	G365 F368 F481 Y483 Q495	P363-G365 PolarHBondContact O-N 3.2Å; P363-F368 HydrophobicContact CB-CD2 3.95Å; P363-F368 HydrophobicContact CB-CE2 3.59Å; P363-F368 HydrophobicContact CB-CZ 4.05Å; P363-F368 HydrophobicContact CG-CD1 4.43Å; P363-F368 HydrophobicContact CG-CD2 4.11Å; P363-F368 HydrophobicContact CG-CE1 4.17Å; P363-F368 HydrophobicContact CG-CE2 3.86Å; P363-F368 HydrophobicContact CG-CG 4.41Å; P363-F368 HydrophobicContact CG-CZ 3.89Å; P363-F481 HydrophobicContact CG-CE1 4.17Å; P363-Y483 VanDerWaalsContact CD-CG 3.43Å; P363-Y483 VanDerWaalsContact CG-CB 3.47Å; P363-Y483 HydrophobicContact CG-CD1 3.95Å; P363-Y483 HydrophobicContact CG-CG 3.86Å; P363-Q495 HydrophobicContact CB-CB 4.15Å; P363-Q495 HydrophobicContact CB-CG 3.81Å; P363-Q495 VanDerWaalsContact CB-OE1 3.28Å; P363-Q495 HydrophobicContact CG-CG 3.89Å
364	T	92.5	Very high	96.5	Very high	21 Å²	21	38.4 Å²	38.4	13%	0.129	19%	0.188	C	C	.	.	S	Bend	trans	-68.7	130.9	172.7	-62.2	0	0	0	0	110.7	E383 R510	T364-E383 WeakPolarHBondContact CA-OE1 3.46Å; T364-E383 WeakPolarHBondContact CG2-OE1 3.09Å; T364-R510 VanDerWaalsContact CB-NH1 3.29Å; T364-R510 PolarHBondContact OG1-NH1 3.45Å
365	G	91.4	Very high	96.4	Very high	2 Å²	2	33.4 Å²	33.4	2%	0.021	17%	0.174	C	C	.	.	S	Bend	trans	132.7	121.5	-177.6	0	0	0	0	0	111.3	P363 K367 F368 E383	P363-G365 PolarHBondContact O-N 3.2Å; G365-K367 PolarHBondContact O-N 2.92Å; G365-F368 VanDerWaalsContact O-CD2 3.28Å; G365-F368 WeakPolarHBondContact O-CD2 3.22Å; G365-F368 PolarHBondContact O-N 3.08Å; G365-E383 PolarHBondContact N-OE1 3.37Å
366	W	95.4	Very high	96.4	Very high	6 Å²	6	31.1 Å²	31.1	2%	0.023	17%	0.174	C	C	.	.	H	α-helix	trans	-64.5	-15.1	-173.7	-149.3	-97.1	0	0	0	115	P142 F368 F369 G370 M373 C381 E383 E395 K396	P142-W366 HydrophobicContact CG-CB 4.24Å; W366-F368 VanDerWaalsContact C-N 3.27Å; W366-F368 PolarHBondContact O-N 3.13Å; W366-F369 AromaticContact CD2-CD2 3.59Å; W366-F369 HydrophobicContact CD2-CD2 3.59Å; W366-F369 HydrophobicContact CD2-CE2 4.28Å; W366-F369 AromaticContact CE3-CD2 3.32Å; W366-F369 HydrophobicContact CE3-CD2 3.32Å; W366-F369 AromaticContact CE3-CE2 3.54Å; W366-F369 HydrophobicContact CE3-CE2 3.54Å; W366-F369 HydrophobicContact CG-CD2 4.14Å; W366-F369 HydrophobicContact CH2-CD2 4.34Å; W366-F369 AromaticContact CZ3-CD2 3.72Å; W366-F369 HydrophobicContact CZ3-CD2 3.72Å; W366-F369 AromaticContact CZ3-CE2 3.67Å; W366-F369 HydrophobicContact CZ3-CE2 3.67Å; W366-F369 PolarHBondContact O-N 3.42Å; W366-G370 PolarHBondContact O-N 2.7Å; W366-M373 HydrophobicContact CZ2-CE 4.34Å; W366-C381 HydrophobicContact CH2-CB 4.5Å; W366-C381 WeakPolarHBondContact CH2-O 3.4Å; W366-C381 WeakPolarHBondContact CH2-SG 3.39Å; W366-C381 WeakPolarHBondContact CZ2-SG 3.14Å; W366-E383 HydrophobicContact CE3-CG 4.11Å; W366-E383 HydrophobicContact CZ3-CG 4.05Å; W366-E395 VanDerWaalsContact CE2-C 3.44Å; W366-E395 VanDerWaalsContact NE1-CA 3.35Å; W366-E395 PolarHBondContact NE1-O 3.24Å; W366-K396 HydrophobicContact CD2-CG 3.58Å; W366-K396 HydrophobicContact CE3-CB 4.43Å; W366-K396 HydrophobicContact CE3-CD 3.97Å; W366-K396 HydrophobicContact CE3-CG 3.18Å; W366-K396 HydrophobicContact CG-CG 4.38Å; W366-K396 HydrophobicContact CH2-CB 4.36Å; W366-K396 HydrophobicContact CH2-CG 3.72Å; W366-K396 HydrophobicContact CZ2-CB 4.47Å; W366-K396 HydrophobicContact CZ2-CG 4.08Å; W366-K396 HydrophobicContact CZ3-CB 4.37Å; W366-K396 HydrophobicContact CZ3-CD 4.22Å; W366-K396 HydrophobicContact CZ3-CG 3.29Å
367	K	93.3	Very high	96.5	Very high	24 Å²	24	27.6 Å²	27.6	10%	0.104	15%	0.149	C	C	.	.	H	α-helix	trans	-57.4	-35.8	174.8	69.5	-172.6	79.5	-164.2	0	113.2	T24 A143 E145 G365 G370 N371	T24-K367 WeakPolarHBondContact O-CE 3.19Å; T24-K367 PolarHBondContact O-NZ 2.79Å; A143-K367 PolarHBondContact O-NZ 3.11Å; E145-K367 HydrophobicContact CG-CD 4.08Å; G365-K367 PolarHBondContact O-N 2.92Å; K367-G370 PolarHBondContact O-N 2.95Å; K367-N371 PolarHBondContact O-N 3.38Å; K367-N371 VanDerWaalsContact O-N 3.16Å
368	F	95.1	Very high	96.5	Very high	14 Å²	14	25.2 Å²	25.2	6%	0.061	14%	0.14	C	C	.	.	H	α-helix	trans	-70	-41.9	179	-59.6	-70.3	0	0	0	111.4	V362 P363 G365 W366 G370 N371 L372 Y483 S492	V362-F368 HydrophobicContact CB-CB 3.86Å; V362-F368 HydrophobicContact CG1-CB 4.33Å; V362-F368 HydrophobicContact CG2-CB 4.01Å; P363-F368 HydrophobicContact CB-CD2 3.95Å; P363-F368 HydrophobicContact CB-CE2 3.59Å; P363-F368 HydrophobicContact CB-CZ 4.05Å; P363-F368 HydrophobicContact CG-CD1 4.43Å; P363-F368 HydrophobicContact CG-CD2 4.11Å; P363-F368 HydrophobicContact CG-CE1 4.17Å; P363-F368 HydrophobicContact CG-CE2 3.86Å; P363-F368 HydrophobicContact CG-CG 4.41Å; P363-F368 HydrophobicContact CG-CZ 3.89Å; G365-F368 VanDerWaalsContact O-CD2 3.28Å; G365-F368 WeakPolarHBondContact O-CD2 3.22Å; G365-F368 PolarHBondContact O-N 3.08Å; W366-F368 VanDerWaalsContact C-N 3.27Å; W366-F368 PolarHBondContact O-N 3.13Å; F368-G370 VanDerWaalsContact C-N 3.3Å; F368-G370 PolarHBondContact O-N 3.42Å; F368-N371 PolarHBondContact O-N 3Å; F368-L372 PolarHBondContact O-N 3.45Å; F368-Y483 AromaticContact CD1-CD1 3.98Å; F368-Y483 HydrophobicContact CD1-CD1 3.98Å; F368-Y483 AromaticContact CD1-CE1 3.73Å; F368-Y483 HydrophobicContact CD1-CE1 3.73Å; F368-Y483 HydrophobicContact CE1-CD1 4.21Å; F368-Y483 HydrophobicContact CE1-CE1 4.37Å; F368-Y483 HydrophobicContact CG-CE1 4.44Å; F368-S492 WeakPolarHBondContact CE1-OG 3.41Å
369	F	97.7	Very high	96.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.4	-39.4	170.8	-58.1	-53.3	0	0	0	111.6	A339 V362 W366 N371 L372 M373 L378 C381 E383	A339-F369 HydrophobicContact CB-CD1 3.55Å; A339-F369 HydrophobicContact CB-CE1 3.48Å; A339-F369 VanDerWaalsContact CB-CE1 3.48Å; V362-F369 HydrophobicContact CB-CE1 4.46Å; V362-F369 HydrophobicContact CG2-CD1 3.64Å; V362-F369 HydrophobicContact CG2-CE1 3.15Å; V362-F369 HydrophobicContact CG2-CE2 4.28Å; V362-F369 HydrophobicContact CG2-CG 4.4Å; V362-F369 HydrophobicContact CG2-CZ 3.52Å; W366-F369 AromaticContact CD2-CD2 3.59Å; W366-F369 HydrophobicContact CD2-CD2 3.59Å; W366-F369 HydrophobicContact CD2-CE2 4.28Å; W366-F369 AromaticContact CE3-CD2 3.32Å; W366-F369 HydrophobicContact CE3-CD2 3.32Å; W366-F369 AromaticContact CE3-CE2 3.54Å; W366-F369 HydrophobicContact CE3-CE2 3.54Å; W366-F369 HydrophobicContact CG-CD2 4.14Å; W366-F369 HydrophobicContact CH2-CD2 4.34Å; W366-F369 AromaticContact CZ3-CD2 3.72Å; W366-F369 HydrophobicContact CZ3-CD2 3.72Å; W366-F369 AromaticContact CZ3-CE2 3.67Å; W366-F369 HydrophobicContact CZ3-CE2 3.67Å; W366-F369 PolarHBondContact O-N 3.42Å; F369-N371 VanDerWaalsContact C-N 3.27Å; F369-N371 PolarHBondContact O-N 3.12Å; F369-L372 PolarHBondContact O-N 2.73Å; F369-L372 VanDerWaalsContact O-N 3.12Å; F369-M373 HydrophobicContact CB-CE 4.3Å; F369-M373 VanDerWaalsContact O-CG 3.31Å; F369-M373 WeakPolarHBondContact O-CG 3.39Å; F369-M373 PolarHBondContact O-N 3.2Å; F369-L378 HydrophobicContact CB-CD2 3.75Å; F369-L378 HydrophobicContact CD1-CD2 3.85Å; F369-L378 HydrophobicContact CG-CD2 4.21Å; F369-C381 HydrophobicContact CB-CB 4.49Å; F369-C381 HydrophobicContact CD1-CB 3.59Å; F369-C381 HydrophobicContact CD2-CB 4.28Å; F369-C381 HydrophobicContact CE1-CB 3.71Å; F369-C381 HydrophobicContact CE2-CB 4.41Å; F369-C381 HydrophobicContact CG-CB 3.88Å; F369-C381 VanDerWaalsContact CG-SG 3.54Å; F369-C381 HydrophobicContact CZ-CB 4.14Å; F369-E383 HydrophobicContact CE2-CG 3.73Å; F369-E383 HydrophobicContact CZ-CG 4.29Å
370	G	96.9	Very high	96.6	Very high	2 Å²	2	19.5 Å²	19.5	2%	0.021	11%	0.109	C	C	.	.	H	α-helix	trans	-56.2	-41.8	178.7	0	0	0	0	0	112.8	W366 K367 F368 M373 D374	W366-G370 PolarHBondContact O-N 2.7Å; K367-G370 PolarHBondContact O-N 2.95Å; F368-G370 VanDerWaalsContact C-N 3.3Å; F368-G370 PolarHBondContact O-N 3.42Å; G370-M373 PolarHBondContact O-N 3.44Å; G370-D374 WeakPolarHBondContact O-CB 3.16Å; G370-D374 VanDerWaalsContact O-CG 3.31Å; G370-D374 PolarHBondContact O-N 3.17Å
371	N	95.8	Very high	96.6	Very high	38 Å²	38	18.6 Å²	18.6	20%	0.203	11%	0.105	C	C	.	.	H	α-helix	trans	-62.4	-44.1	176.6	-152.6	24.8	0	0	0	112.2	K367 F368 F369 M373 D374 A375 D485 D488	K367-N371 PolarHBondContact O-N 3.38Å; K367-N371 VanDerWaalsContact O-N 3.16Å; F368-N371 PolarHBondContact O-N 3Å; F369-N371 VanDerWaalsContact C-N 3.27Å; F369-N371 PolarHBondContact O-N 3.12Å; N371-M373 PolarHBondContact O-N 3.5Å; N371-D374 PolarHBondContact O-N 3.49Å; N371-A375 WeakPolarHBondContact O-CB 3.48Å; N371-A375 PolarHBondContact O-N 2.88Å; N371-D485 PolarHBondContact ND2-OD1 3.34Å; N371-D485 PolarHBondContact ND2-OD2 3.06Å; N371-D488 PolarHBondContact ND2-OD2 3Å
372	L	98	Very high	96.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.5	-37.2	176.5	-61.9	170.4	0	0	0	112.5	A339 F360 V362 F368 F369 A375 G376 R377 L378 P486 I487	A339-L372 HydrophobicContact CB-CD1 4.29Å; F360-L372 HydrophobicContact CB-CD1 3.75Å; F360-L372 HydrophobicContact CD1-CD1 4.34Å; F360-L372 HydrophobicContact CD1-CD2 4.04Å; F360-L372 HydrophobicContact CD2-CD1 3.77Å; F360-L372 HydrophobicContact CD2-CD2 4.18Å; F360-L372 HydrophobicContact CE1-CD2 3.96Å; F360-L372 HydrophobicContact CE2-CD1 4.42Å; F360-L372 HydrophobicContact CE2-CD2 4.08Å; F360-L372 HydrophobicContact CG-CD1 3.7Å; F360-L372 HydrophobicContact CG-CD2 4.13Å; F360-L372 HydrophobicContact CZ-CD2 3.94Å; V362-L372 HydrophobicContact CG1-CD1 3.88Å; F368-L372 PolarHBondContact O-N 3.45Å; F369-L372 PolarHBondContact O-N 2.73Å; F369-L372 VanDerWaalsContact O-N 3.12Å; L372-A375 PolarHBondContact O-N 2.89Å; L372-G376 PolarHBondContact O-N 3.49Å; L372-R377 PolarHBondContact O-N 2.89Å; L372-L378 HydrophobicContact CB-CB 3.74Å; L372-L378 HydrophobicContact CB-CD2 3.91Å; L372-L378 HydrophobicContact CB-CG 4.49Å; L372-L378 HydrophobicContact CD1-CD2 4.16Å; L372-L378 PolarHBondContact O-N 3.48Å; L372-P486 HydrophobicContact CD2-CG 3.63Å; L372-I487 HydrophobicContact CD2-CD1 4.25Å; L372-I487 HydrophobicContact CD2-CG1 4.11Å
373	M	97.9	Very high	96.6	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.02	10%	0.097	C	C	.	.	H	α-helix	trans	-68.6	-40.2	175.6	-67.8	172.4	179.5	0	0	111.6	W366 F369 G370 N371 A375 G376 L378 C381 D391 R394	W366-M373 HydrophobicContact CZ2-CE 4.34Å; F369-M373 HydrophobicContact CB-CE 4.3Å; F369-M373 VanDerWaalsContact O-CG 3.31Å; F369-M373 WeakPolarHBondContact O-CG 3.39Å; F369-M373 PolarHBondContact O-N 3.2Å; G370-M373 PolarHBondContact O-N 3.44Å; N371-M373 PolarHBondContact O-N 3.5Å; M373-A375 VanDerWaalsContact C-N 3.3Å; M373-G376 PolarHBondContact O-N 2.95Å; M373-G376 VanDerWaalsContact O-N 3.07Å; M373-L378 HydrophobicContact CE-CD2 4.13Å; M373-L378 HydrophobicContact CE-CG 4.41Å; M373-L378 HydrophobicContact CG-CB 4.07Å; M373-L378 HydrophobicContact CG-CD2 3.99Å; M373-L378 HydrophobicContact CG-CG 4.07Å; M373-C381 WeakPolarHBondContact CE-SG 3.39Å; M373-D391 HydrophobicContact CB-CB 4.14Å; M373-D391 HydrophobicContact CG-CB 3.83Å; M373-D391 HydrophobicContact SD-CB 4.29Å; M373-R394 VanDerWaalsContact CB-CZ 3.43Å; M373-R394 PolarHBondContact O-NH2 2.59Å
374	D	97	Very high	96.6	Very high	74 Å²	74	16.8 Å²	16.8	40%	0.396	10%	0.097	S	C	.	.	H	α-helix	trans	-66.1	-33.7	176.3	-72.9	-22.6	0	0	0	111.8	N139 G370 N371 G376 R394	N139-D374 WeakPolarHBondContact CB-OD2 3.36Å; N139-D374 PolarHBondContact ND2-OD2 3.3Å; G370-D374 WeakPolarHBondContact O-CB 3.16Å; G370-D374 VanDerWaalsContact O-CG 3.31Å; G370-D374 PolarHBondContact O-N 3.17Å; N371-D374 PolarHBondContact O-N 3.49Å; D374-G376 PolarHBondContact O-N 3.29Å; D374-R394 IonicContact OD1-CZ 2.65Å; D374-R394 IonicContact OD1-NE 3.58Å; D374-R394 PolarHBondContact OD1-NE 3.05Å; D374-R394 IonicContact OD1-NH2 3.26Å; D374-R394 PolarHBondContact OD1-NH2 2.82Å; D374-R394 IonicContact OD2-NE 3.86Å
375	A	97.5	Very high	96.6	Very high	44 Å²	44	16.2 Å²	16.2	36%	0.364	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-1.7	171.2	0	0	0	0	0	114.5	N371 L372 M373 R377 I487	N371-A375 WeakPolarHBondContact O-CB 3.48Å; N371-A375 PolarHBondContact O-N 2.88Å; L372-A375 PolarHBondContact O-N 2.89Å; M373-A375 VanDerWaalsContact C-N 3.3Å; A375-R377 VanDerWaalsContact C-N 3.33Å; A375-R377 HydrophobicContact CB-CG 4.41Å; A375-R377 PolarHBondContact O-N 3.28Å; A375-I487 HydrophobicContact CB-CB 4.44Å; A375-I487 HydrophobicContact CB-CD1 3.34Å; A375-I487 HydrophobicContact CB-CG1 3.7Å; A375-I487 HydrophobicContact CB-CG2 3.86Å
376	G	96.6	Very high	96.9	Very high	33 Å²	33	16.2 Å²	16.2	34%	0.34	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	25.5	179	0	0	0	0	0	114.7	K336 L372 M373 D374	K336-G376 WeakPolarHBondContact CD-O 3.28Å; K336-G376 WeakPolarHBondContact CG-O 3.23Å; L372-G376 PolarHBondContact O-N 3.49Å; M373-G376 PolarHBondContact O-N 2.95Å; M373-G376 VanDerWaalsContact O-N 3.07Å; D374-G376 PolarHBondContact O-N 3.29Å
377	R	97.7	Very high	97	Very high	81 Å²	81	16 Å²	16	31%	0.306	9%	0.092	S	C	.	.			trans	-105.9	-6.2	-178.8	-62.4	-176.2	72.3	177.3	3.9	114.3	G337 E358 F360 L372 A375	G337-R377 WeakPolarHBondContact CA-O 3.25Å; E358-R377 IonicContact OE1-CZ 3.87Å; E358-R377 IonicContact OE1-NH2 2.72Å; E358-R377 PolarHBondContact OE1-NH2 3.47Å; E358-R377 IonicContact OE2-CZ 3.17Å; E358-R377 VanDerWaalsContact OE2-CZ 3.28Å; E358-R377 IonicContact OE2-NE 2.79Å; E358-R377 PolarHBondContact OE2-NE 3.31Å; E358-R377 IonicContact OE2-NH2 3.99Å; E358-R377 PolarHBondContact OE2-NH2 3.4Å; F360-R377 HydrophobicContact CE2-CB 4.04Å; F360-R377 HydrophobicContact CZ-CB 4.11Å; L372-R377 PolarHBondContact O-N 2.89Å; A375-R377 VanDerWaalsContact C-N 3.33Å; A375-R377 HydrophobicContact CB-CG 4.41Å; A375-R377 PolarHBondContact O-N 3.28Å
378	L	98.4	Very high	97.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.087	C	C	.	.			trans	-128.4	135	-175	-179.7	56.4	0	0	0	110.7	A339 F369 L372 M373 I380 C381 D391	A339-L378 HydrophobicContact CB-CD1 3.54Å; A339-L378 HydrophobicContact CB-CD2 3.81Å; A339-L378 HydrophobicContact CB-CG 4.34Å; A339-L378 VanDerWaalsContact N-CD1 3.31Å; F369-L378 HydrophobicContact CB-CD2 3.75Å; F369-L378 HydrophobicContact CD1-CD2 3.85Å; F369-L378 HydrophobicContact CG-CD2 4.21Å; L372-L378 HydrophobicContact CB-CB 3.74Å; L372-L378 HydrophobicContact CB-CD2 3.91Å; L372-L378 HydrophobicContact CB-CG 4.49Å; L372-L378 HydrophobicContact CD1-CD2 4.16Å; L372-L378 PolarHBondContact O-N 3.48Å; M373-L378 HydrophobicContact CE-CD2 4.13Å; M373-L378 HydrophobicContact CE-CG 4.41Å; M373-L378 HydrophobicContact CG-CB 4.07Å; M373-L378 HydrophobicContact CG-CD2 3.99Å; M373-L378 HydrophobicContact CG-CG 4.07Å; L378-I380 WeakPolarHBondContact CD1-O 3.38Å; L378-C381 HydrophobicContact CD1-CB 4.12Å; L378-C381 HydrophobicContact CD2-CB 3.9Å; L378-C381 HydrophobicContact CG-CB 4.38Å; L378-D391 VanDerWaalsContact O-CB 3.27Å; L378-D391 WeakPolarHBondContact O-CB 3.42Å
379	S	98.5	Very high	97.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-115.2	-49.3	174.7	-74.2	0	0	0	0	112.6	K336 G337 C390 D391	K336-S379 PolarHBondContact N-OG 3.26Å; G337-S379 PolarHBondContact O-N 3.31Å; S379-C390 CarbonylContact O-C 3.6Å; S379-C390 WeakPolarHBondContact O-CA 3.38Å; S379-C390 WeakPolarHBondContact O-CB 3.35Å; S379-D391 PolarHBondContact O-N 3.12Å; S379-D391 VanDerWaalsContact O-N 3.15Å
380	I	98.7	Very high	97.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.9	178.2	-58.7	-179.7	0	0	0	109.4	L316 A323 F326 F329 G337 Y338 A339 L378 C390 W400	L316-I380 HydrophobicContact CD1-CG2 3.74Å; A323-I380 HydrophobicContact CB-CD1 3.62Å; F326-I380 HydrophobicContact CE2-CD1 4.12Å; F329-I380 HydrophobicContact CE2-CD1 3.72Å; F329-I380 HydrophobicContact CE2-CG1 3.75Å; F329-I380 HydrophobicContact CZ-CD1 4.07Å; F329-I380 HydrophobicContact CZ-CG1 3.55Å; G337-I380 PolarHBondContact O-N 3.32Å; Y338-I380 VanDerWaalsContact CA-O 3.29Å; Y338-I380 WeakPolarHBondContact CA-O 3.41Å; Y338-I380 HydrophobicContact CD1-CB 4.14Å; Y338-I380 HydrophobicContact CE1-CB 4.49Å; A339-I380 PolarHBondContact N-O 3.2Å; A339-I380 VanDerWaalsContact N-O 3.15Å; L378-I380 WeakPolarHBondContact CD1-O 3.38Å; I380-C390 HydrophobicContact CG1-CB 4.33Å; I380-W400 HydrophobicContact CD1-CH2 4.36Å; I380-W400 HydrophobicContact CG1-CH2 4.38Å
381	C	98.8	Very high	97.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	166.6	172.8	57.9	0	0	0	0	113	A339 W366 F369 M373 L378 T388 G389	A339-C381 HydrophobicContact CB-CB 3.95Å; A339-C381 WeakPolarHBondContact O-CA 3.37Å; A339-C381 VanDerWaalsContact O-CB 3.23Å; A339-C381 WeakPolarHBondContact O-CB 3.5Å; W366-C381 HydrophobicContact CH2-CB 4.5Å; W366-C381 WeakPolarHBondContact CH2-O 3.4Å; W366-C381 WeakPolarHBondContact CH2-SG 3.39Å; W366-C381 WeakPolarHBondContact CZ2-SG 3.14Å; F369-C381 HydrophobicContact CB-CB 4.49Å; F369-C381 HydrophobicContact CD1-CB 3.59Å; F369-C381 HydrophobicContact CD2-CB 4.28Å; F369-C381 HydrophobicContact CE1-CB 3.71Å; F369-C381 HydrophobicContact CE2-CB 4.41Å; F369-C381 HydrophobicContact CG-CB 3.88Å; F369-C381 VanDerWaalsContact CG-SG 3.54Å; F369-C381 HydrophobicContact CZ-CB 4.14Å; M373-C381 WeakPolarHBondContact CE-SG 3.39Å; L378-C381 HydrophobicContact CD1-CB 4.12Å; L378-C381 HydrophobicContact CD2-CB 3.9Å; L378-C381 HydrophobicContact CG-CB 4.38Å; C381-T388 WeakPolarHBondContact O-CA 3.03Å; C381-G389 PolarHBondContact N-O 3.16Å; C381-G389 VanDerWaalsContact N-O 3.13Å; C381-G389 PolarHBondContact O-N 2.83Å; C381-G389 VanDerWaalsContact O-N 3.12Å
382	G	98.5	Very high	97.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	164.4	176.3	0	0	0	0	0	114.6	A339 R340 S341 G387	A339-G382 PolarHBondContact O-N 3.45Å; R340-G382 WeakPolarHBondContact CA-O 3.37Å; S341-G382 PolarHBondContact N-O 3.43Å; G382-G387 CarbonylContact C-O 3.4Å; G382-G387 WeakPolarHBondContact CA-O 3.05Å
383	E	97.5	Very high	97.6	Very high	8 Å²	8	13.2 Å²	13.2	4%	0.037	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	143.3	174.3	-58.2	-171.3	118	0	0	109.2	T344 T364 G365 W366 F369 S385 F386 G387	T344-E383 WeakPolarHBondContact OG1-CA 3.39Å; T364-E383 WeakPolarHBondContact CA-OE1 3.46Å; T364-E383 WeakPolarHBondContact CG2-OE1 3.09Å; G365-E383 PolarHBondContact N-OE1 3.37Å; W366-E383 HydrophobicContact CE3-CG 4.11Å; W366-E383 HydrophobicContact CZ3-CG 4.05Å; F369-E383 HydrophobicContact CE2-CG 3.73Å; F369-E383 HydrophobicContact CZ-CG 4.29Å; E383-S385 PolarHBondContact O-N 3.49Å; E383-F386 PolarHBondContact O-N 3.3Å; E383-G387 PolarHBondContact N-O 2.89Å; E383-G387 PolarHBondContact O-N 2.87Å
384	E	95.2	Very high	97.6	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.009	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-20.1	176.5	67.5	75.2	-146	0	0	114.2	P312 P343 T344 F386 F432 R434 Y524	P312-E384 WeakPolarHBondContact CB-O 3.19Å; P312-E384 VanDerWaalsContact CG-O 3.29Å; P312-E384 WeakPolarHBondContact CG-O 3.46Å; P343-E384 HydrophobicContact CB-CG 4Å; T344-E384 PolarHBondContact OG1-N 3.44Å; E384-F386 PolarHBondContact O-N 3.06Å; E384-F432 HydrophobicContact CB-CE1 4.28Å; E384-F432 HydrophobicContact CB-CZ 3.8Å; E384-F432 HydrophobicContact CG-CZ 4.28Å; E384-R434 IonicContact OE1-NH1 3.72Å; E384-R434 PolarHBondContact OE1-NH1 2.92Å; E384-R434 VanDerWaalsContact OE2-CD 3.24Å; E384-R434 WeakPolarHBondContact OE2-CD 3.28Å; E384-R434 IonicContact OE2-CZ 3.63Å; E384-R434 IonicContact OE2-NE 2.81Å; E384-R434 IonicContact OE2-NH1 3.2Å; E384-R434 PolarHBondContact OE2-NH1 2.67Å; E384-Y524 VanDerWaalsContact CD-CE1 3.4Å; E384-Y524 HydrophobicContact CG-CD1 4.1Å; E384-Y524 HydrophobicContact CG-CE1 3.78Å; E384-Y524 WeakPolarHBondContact OE1-CE1 3.35Å
385	S	93.9	Very high	97.7	Very high	8 Å²	8	10.1 Å²	10.1	6%	0.056	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	41.2	174.6	59.4	0	0	0	0	112.8	R299 E383 G387	R299-S385 VanDerWaalsContact CD-O 3.27Å; R299-S385 WeakPolarHBondContact CD-O 3.46Å; E383-S385 PolarHBondContact O-N 3.49Å; S385-G387 PolarHBondContact O-N 2.67Å; S385-G387 VanDerWaalsContact O-N 3.1Å
386	F	97.1	Very high	97.7	Very high	3 Å²	3	8.9 Å²	8.9	1%	0.013	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	17.7	179.2	-62.2	-80.5	0	0	0	114.6	P270 N271 R299 N300 M301 F309 P312 E383 E384 T569	P270-F386 HydrophobicContact CG-CB 4.47Å; P270-F386 WeakPolarHBondContact O-CD2 3.2Å; P270-F386 WeakPolarHBondContact O-CE1 3.48Å; P270-F386 WeakPolarHBondContact O-CE2 3.48Å; P270-F386 WeakPolarHBondContact O-CZ 3.48Å; N271-F386 HydrophobicContact CB-CE2 3.6Å; N271-F386 HydrophobicContact CB-CZ 3.84Å; R299-F386 CarbonylContact C-O 3.56Å; R299-F386 VanDerWaalsContact CA-O 3.24Å; R299-F386 WeakPolarHBondContact CA-O 3.48Å; R299-F386 HydrophobicContact CB-CB 3.9Å; R299-F386 HydrophobicContact CG-CB 4.4Å; N300-F386 PolarHBondContact N-O 3.23Å; N300-F386 PolarHBondContact ND2-O 3Å; N300-F386 VanDerWaalsContact ND2-O 3.1Å; N300-F386 VanDerWaalsContact O-CB 3.29Å; N300-F386 WeakPolarHBondContact O-CB 3.35Å; N300-F386 WeakPolarHBondContact O-CD1 3.12Å; M301-F386 HydrophobicContact CB-CD1 4.09Å; M301-F386 HydrophobicContact CB-CE1 4.06Å; M301-F386 HydrophobicContact CG-CE1 4.03Å; F309-F386 AromaticContact CE2-CE1 3.9Å; F309-F386 HydrophobicContact CE2-CE1 3.9Å; F309-F386 HydrophobicContact CE2-CZ 4.28Å; F309-F386 AromaticContact CZ-CE1 3.92Å; F309-F386 HydrophobicContact CZ-CE1 3.92Å; F309-F386 HydrophobicContact CZ-CZ 4.05Å; P312-F386 HydrophobicContact CG-CD1 3.39Å; P312-F386 HydrophobicContact CG-CD2 4.4Å; P312-F386 HydrophobicContact CG-CE1 3.54Å; P312-F386 HydrophobicContact CG-CG 3.87Å; P312-F386 HydrophobicContact CG-CZ 4.13Å; E383-F386 PolarHBondContact O-N 3.3Å; E384-F386 PolarHBondContact O-N 3.06Å; F386-T569 HydrophobicContact CE1-CG2 4.49Å; F386-T569 HydrophobicContact CE2-CG2 3.68Å; F386-T569 HydrophobicContact CZ-CG2 3.52Å
387	G	97.6	Very high	97.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124.9	179.6	0	0	0	0	0	110.6	G382 E383 S385	G382-G387 CarbonylContact C-O 3.4Å; G382-G387 WeakPolarHBondContact CA-O 3.05Å; E383-G387 PolarHBondContact N-O 2.89Å; E383-G387 PolarHBondContact O-N 2.87Å; S385-G387 PolarHBondContact O-N 2.67Å; S385-G387 VanDerWaalsContact O-N 3.1Å
388	T	98.7	Very high	97.8	Very high	1 Å²	1	3.5 Å²	3.5	1%	0.006	2%	0.016	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	149.1	173.1	-58.5	0	0	0	0	108.8	L316 L319 C381 D397 W400 S401	L316-T388 HydrophobicContact CD1-CG2 4.23Å; L319-T388 HydrophobicContact CD1-CG2 4.03Å; C381-T388 WeakPolarHBondContact O-CA 3.03Å; T388-D397 CarbonylContact O-C 3.5Å; T388-D397 PolarHBondContact O-N 3.45Å; T388-W400 HydrophobicContact CG2-CZ3 4.2Å; T388-S401 WeakPolarHBondContact CB-OG 3.12Å; T388-S401 PolarHBondContact O-OG 3.1Å
389	G	98.3	Very high	97.9	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.017	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	177.9	-178.7	0	0	0	0	0	112.6	C381	C381-G389 PolarHBondContact N-O 3.16Å; C381-G389 VanDerWaalsContact N-O 3.13Å; C381-G389 PolarHBondContact O-N 2.83Å; C381-G389 VanDerWaalsContact O-N 3.12Å
390	C	98.1	Very high	97.9	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.017	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	176.3	175.6	74.1	0	0	0	0	114.1	F329 S379 I380 Y392 W400	F329-C390 HydrophobicContact CE1-CB 4.35Å; F329-C390 HydrophobicContact CZ-CB 3.7Å; S379-C390 CarbonylContact O-C 3.6Å; S379-C390 WeakPolarHBondContact O-CA 3.38Å; S379-C390 WeakPolarHBondContact O-CB 3.35Å; I380-C390 HydrophobicContact CG1-CB 4.33Å; C390-Y392 PolarHBondContact O-N 2.85Å; C390-Y392 VanDerWaalsContact O-N 3.12Å; C390-Y392 WeakPolarHBondContact SG-CD1 3.46Å; C390-W400 HydrophobicContact CB-CH2 3.88Å; C390-W400 HydrophobicContact CB-CZ2 3.58Å; C390-W400 WeakPolarHBondContact SG-CZ2 3.49Å; C390-W400 PolarHBondContact SG-NE1 2.63Å; C390-W400 VanDerWaalsContact SG-NE1 3.39Å
391	D	97.7	Very high	97.9	Very high	7 Å²	7	3.8 Å²	3.8	4%	0.037	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	9.5	-167.8	68.8	-34.2	0	0	0	116.4	Y328 F329 K336 M373 L378 S379 R394	Y328-D391 WeakPolarHBondContact CE1-OD1 3.46Å; F329-D391 WeakPolarHBondContact CE1-OD1 3.43Å; K336-D391 IonicContact NZ-OD2 3.25Å; K336-D391 PolarHBondContact NZ-OD2 3.04Å; M373-D391 HydrophobicContact CB-CB 4.14Å; M373-D391 HydrophobicContact CG-CB 3.83Å; M373-D391 HydrophobicContact SD-CB 4.29Å; L378-D391 VanDerWaalsContact O-CB 3.27Å; L378-D391 WeakPolarHBondContact O-CB 3.42Å; S379-D391 PolarHBondContact O-N 3.12Å; S379-D391 VanDerWaalsContact O-N 3.15Å; D391-R394 PolarHBondContact O-NH1 3.42Å
392	Y	97.8	Very high	97.9	Very high	12 Å²	12	3.8 Å²	3.8	5%	0.047	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-32.7	171	81.8	-68.8	0	0	0	112.5	L105 R108 R201 M202 M205 Y328 C390 D397 W400	L105-Y392 HydrophobicContact CD1-CD2 4.4Å; L105-Y392 HydrophobicContact CD1-CE2 4.39Å; R108-Y392 PolarHBondContact NE-O 2.87Å; R201-Y392 HydrophobicContact CG-CD2 4.18Å; R201-Y392 HydrophobicContact CG-CE2 4.07Å; M202-Y392 HydrophobicContact CE-CE2 3.78Å; M202-Y392 VanDerWaalsContact CE-OH 3.31Å; M202-Y392 WeakPolarHBondContact CE-OH 3.21Å; M205-Y392 HydrophobicContact CE-CD1 3.52Å; M205-Y392 HydrophobicContact CE-CD2 3.96Å; M205-Y392 HydrophobicContact CE-CE1 3.83Å; M205-Y392 HydrophobicContact CE-CE2 4.31Å; M205-Y392 HydrophobicContact CE-CG 3.53Å; M205-Y392 HydrophobicContact SD-CD1 4.17Å; M205-Y392 HydrophobicContact SD-CD2 3.47Å; M205-Y392 WeakPolarHBondContact SD-CD2 3.28Å; M205-Y392 HydrophobicContact SD-CE1 4.31Å; M205-Y392 HydrophobicContact SD-CE2 3.72Å; M205-Y392 HydrophobicContact SD-CG 3.71Å; Y328-Y392 WeakPolarHBondContact OH-CA 3.41Å; Y328-Y392 PolarHBondContact OH-N 2.72Å; C390-Y392 PolarHBondContact O-N 2.85Å; C390-Y392 VanDerWaalsContact O-N 3.12Å; C390-Y392 WeakPolarHBondContact SG-CD1 3.46Å; Y392-D397 PolarHBondContact OH-OD2 2.92Å; Y392-W400 AromaticContact CE1-CD1 3.85Å; Y392-W400 HydrophobicContact CE1-CG 4.18Å
393	I	98.4	Very high	97.9	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.017	C	C	.	.	S	Bend	trans	-121.8	-175.6	172	61.5	173.4	0	0	0	110.5	P101 L105 E395 D397	P101-I393 HydrophobicContact CB-CD1 3.66Å; L105-I393 HydrophobicContact CB-CG2 4.01Å; L105-I393 HydrophobicContact CD1-CG2 4.11Å; I393-E395 HydrophobicContact CD1-CB 4.22Å; I393-D397 HydrophobicContact CD1-CB 4.11Å
394	R	97.9	Very high	98	Very high	12 Å²	12	3.4 Å²	3.4	5%	0.045	2%	0.016	C	C	.	.	S	Bend	trans	-124.1	38.5	178.7	-60.2	-61.5	-179.8	-95.3	4.5	110.8	S104 N139 G141 P142 M373 D374 D391	S104-R394 PolarHBondContact OG-N 3.41Å; S104-R394 VanDerWaalsContact OG-N 3.15Å; N139-R394 WeakPolarHBondContact O-CG 3.37Å; G141-R394 WeakPolarHBondContact CA-O 3.32Å; P142-R394 WeakPolarHBondContact CD-O 3.49Å; M373-R394 VanDerWaalsContact CB-CZ 3.43Å; M373-R394 PolarHBondContact O-NH2 2.59Å; D374-R394 IonicContact OD1-CZ 2.65Å; D374-R394 IonicContact OD1-NE 3.58Å; D374-R394 PolarHBondContact OD1-NE 3.05Å; D374-R394 IonicContact OD1-NH2 3.26Å; D374-R394 PolarHBondContact OD1-NH2 2.82Å; D374-R394 IonicContact OD2-NE 3.86Å; D391-R394 PolarHBondContact O-NH1 3.42Å
395	E	98	Very high	98.1	Very high	2 Å²	2	3.3 Å²	3.3	1%	0.009	2%	0.015	C	C	.	.	S	Bend	trans	-142.4	160.5	178.1	-167.9	53.4	-96.1	0	0	109.8	T100 W366 I393	T100-E395 HydrophobicContact CG2-CG 3.54Å; T100-E395 WeakPolarHBondContact CG2-OE2 3.38Å; W366-E395 VanDerWaalsContact CE2-C 3.44Å; W366-E395 VanDerWaalsContact NE1-CA 3.35Å; W366-E395 PolarHBondContact NE1-O 3.24Å; I393-E395 HydrophobicContact CD1-CB 4.22Å
396	K	98.2	Very high	98.4	Very high	17 Å²	17	2.9 Å²	2.9	7%	0.074	1%	0.013	C	C	.	.			trans	-63	149.9	165.1	-59.5	160.7	-78.1	162.6	0	109.7	D298 W366	D298-K396 HydrophobicContact CB-CB 4.1Å; D298-K396 WeakPolarHBondContact O-CB 3.27Å; D298-K396 WeakPolarHBondContact OD1-CE 3.5Å; D298-K396 IonicContact OD1-NZ 3.87Å; D298-K396 PolarHBondContact OD1-NZ 3.47Å; D298-K396 WeakPolarHBondContact OD2-CE 3.3Å; D298-K396 IonicContact OD2-NZ 3.17Å; D298-K396 PolarHBondContact OD2-NZ 3.2Å; W366-K396 HydrophobicContact CD2-CG 3.58Å; W366-K396 HydrophobicContact CE3-CB 4.43Å; W366-K396 HydrophobicContact CE3-CD 3.97Å; W366-K396 HydrophobicContact CE3-CG 3.18Å; W366-K396 HydrophobicContact CG-CG 4.38Å; W366-K396 HydrophobicContact CH2-CB 4.36Å; W366-K396 HydrophobicContact CH2-CG 3.72Å; W366-K396 HydrophobicContact CZ2-CB 4.47Å; W366-K396 HydrophobicContact CZ2-CG 4.08Å; W366-K396 HydrophobicContact CZ3-CB 4.37Å; W366-K396 HydrophobicContact CZ3-CD 4.22Å; W366-K396 HydrophobicContact CZ3-CG 3.29Å
397	D	98.7	Very high	98.4	Very high	1 Å²	1	2.9 Å²	2.9	1%	0.005	1%	0.013	C	C	.	.			trans	-141.8	105.6	179	-165.9	-39.7	0	0	0	111.8	P101 Y198 T388 Y392 I393 I399 W400 S401	P101-D397 HydrophobicContact CB-CB 3.95Å; P101-D397 WeakPolarHBondContact CB-OD2 3.16Å; P101-D397 HydrophobicContact CG-CB 4.42Å; Y198-D397 WeakPolarHBondContact CE2-OD2 3.4Å; Y198-D397 PolarHBondContact OH-OD1 3.17Å; Y198-D397 PolarHBondContact OH-OD2 3.27Å; T388-D397 CarbonylContact O-C 3.5Å; T388-D397 PolarHBondContact O-N 3.45Å; Y392-D397 PolarHBondContact OH-OD2 2.92Å; I393-D397 HydrophobicContact CD1-CB 4.11Å; D397-I399 PolarHBondContact OD1-N 3.15Å; D397-W400 HydrophobicContact CB-CB 3.69Å; D397-W400 WeakPolarHBondContact OD1-CB 3.46Å; D397-W400 PolarHBondContact OD1-N 2.94Å; D397-S401 WeakPolarHBondContact O-CB 3.2Å; D397-S401 PolarHBondContact O-N 3Å; D397-S401 VanDerWaalsContact O-N 3.09Å; D397-S401 PolarHBondContact O-OG 3.09Å
398	G	98.7	Very high	98.5	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-67.6	-44.6	-179.2	0	0	0	0	0	113.1	F293 G297 S401 S402	F293-G398 VanDerWaalsContact CE1-O 3.25Å; F293-G398 WeakPolarHBondContact CE1-O 3.36Å; G297-G398 PolarHBondContact O-N 2.78Å; G297-G398 VanDerWaalsContact O-N 3.11Å; G398-S401 WeakPolarHBondContact O-CB 3.47Å; G398-S401 PolarHBondContact O-N 2.88Å; G398-S402 PolarHBondContact O-N 2.97Å; G398-S402 PolarHBondContact O-OG 2.88Å
399	I	98.9	Very high	98.5	Very high	2 Å²	2	2.9 Å²	2.9	1%	0.01	1%	0.013	C	C	.	.	H	α-helix	trans	-67.6	-45.1	-177.9	-65.1	176.4	0	0	0	109.8	Y198 T235 Y238 V239 I242 Y243 F293 D397 S401 S402 L403	Y198-I399 HydrophobicContact CE1-CB 4.19Å; Y198-I399 HydrophobicContact CE1-CD1 4.32Å; Y198-I399 HydrophobicContact CE1-CG2 4.03Å; T235-I399 HydrophobicContact CG2-CD1 4.18Å; T235-I399 HydrophobicContact CG2-CG1 4.4Å; Y238-I399 VanDerWaalsContact CB-CD1 3.48Å; Y238-I399 HydrophobicContact CG-CD1 4.37Å; V239-I399 HydrophobicContact CG2-CD1 4.28Å; I242-I399 HydrophobicContact CD1-CG2 3.8Å; Y243-I399 HydrophobicContact CE2-CG2 4.36Å; F293-I399 HydrophobicContact CD2-CG1 4.49Å; F293-I399 HydrophobicContact CE1-CG1 4.32Å; F293-I399 HydrophobicContact CE2-CG1 4.13Å; F293-I399 HydrophobicContact CZ-CG1 4.04Å; D397-I399 PolarHBondContact OD1-N 3.15Å; I399-S401 PolarHBondContact O-N 2.88Å; I399-S402 WeakPolarHBondContact CA-OG 3.43Å; I399-S402 PolarHBondContact O-N 2.86Å; I399-S402 VanDerWaalsContact O-N 3.14Å; I399-S402 PolarHBondContact O-OG 3.1Å; I399-L403 HydrophobicContact CG2-CD1 4.13Å; I399-L403 HydrophobicContact CG2-CG 4.44Å; I399-L403 PolarHBondContact O-N 3.37Å
400	W	98.8	Very high	98.5	Very high	4 Å²	4	3 Å²	3	2%	0.015	1%	0.014	C	C	.	.	H	α-helix	trans	-53.5	-44.8	172.7	176.4	90	0	0	0	111.4	M202 F206 L319 I380 T388 C390 Y392 D397 S402 L403 A404	M202-W400 HydrophobicContact SD-CB 4.18Å; F206-W400 AromaticContact CE2-CD1 3.57Å; F206-W400 HydrophobicContact CE2-CG 4.28Å; F206-W400 AromaticContact CE2-NE1 3.94Å; F206-W400 AromaticContact CZ-CD1 3.44Å; F206-W400 VanDerWaalsContact CZ-CD1 3.44Å; F206-W400 HydrophobicContact CZ-CD2 4.36Å; F206-W400 AromaticContact CZ-CE2 4Å; F206-W400 HydrophobicContact CZ-CG 4.01Å; F206-W400 AromaticContact CZ-NE1 3.41Å; F206-W400 WeakPolarHBondContact CZ-O 3.48Å; L319-W400 HydrophobicContact CD1-CZ3 4.28Å; I380-W400 HydrophobicContact CD1-CH2 4.36Å; I380-W400 HydrophobicContact CG1-CH2 4.38Å; T388-W400 HydrophobicContact CG2-CZ3 4.2Å; C390-W400 HydrophobicContact CB-CH2 3.88Å; C390-W400 HydrophobicContact CB-CZ2 3.58Å; C390-W400 WeakPolarHBondContact SG-CZ2 3.49Å; C390-W400 PolarHBondContact SG-NE1 2.63Å; C390-W400 VanDerWaalsContact SG-NE1 3.39Å; Y392-W400 AromaticContact CE1-CD1 3.85Å; Y392-W400 HydrophobicContact CE1-CG 4.18Å; D397-W400 HydrophobicContact CB-CB 3.69Å; D397-W400 WeakPolarHBondContact OD1-CB 3.46Å; D397-W400 PolarHBondContact OD1-N 2.94Å; W400-S402 VanDerWaalsContact C-N 3.34Å; W400-S402 PolarHBondContact O-N 2.68Å; W400-L403 PolarHBondContact O-N 2.91Å; W400-A404 HydrophobicContact CH2-CB 4.25Å; W400-A404 HydrophobicContact CZ2-CB 4.32Å; W400-A404 HydrophobicContact CZ3-CB 4.36Å; W400-A404 WeakPolarHBondContact O-CB 3.13Å; W400-A404 PolarHBondContact O-N 3.39Å
401	S	98.8	Very high	98.5	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-62.2	-41.5	180	-60.6	0	0	0	0	111.9	N300 T388 D397 G398 I399 A404 W405	N300-S401 VanDerWaalsContact CG-CB 3.46Å; N300-S401 WeakPolarHBondContact ND2-CB 3.43Å; N300-S401 PolarHBondContact ND2-OG 2.65Å; N300-S401 WeakPolarHBondContact OD1-CB 3.39Å; T388-S401 WeakPolarHBondContact CB-OG 3.12Å; T388-S401 PolarHBondContact O-OG 3.1Å; D397-S401 WeakPolarHBondContact O-CB 3.2Å; D397-S401 PolarHBondContact O-N 3Å; D397-S401 VanDerWaalsContact O-N 3.09Å; D397-S401 PolarHBondContact O-OG 3.09Å; G398-S401 WeakPolarHBondContact O-CB 3.47Å; G398-S401 PolarHBondContact O-N 2.88Å; I399-S401 PolarHBondContact O-N 2.88Å; S401-A404 PolarHBondContact O-N 3.07Å; S401-W405 PolarHBondContact O-N 3.25Å
402	S	98.8	Very high	98.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-67	-37.8	176.1	62.2	0	0	0	0	113.4	Y243 F293 G398 I399 W400 W405 L406	Y243-S402 VanDerWaalsContact OH-CB 3.3Å; Y243-S402 WeakPolarHBondContact OH-CB 3.4Å; Y243-S402 PolarHBondContact OH-OG 3.3Å; F293-S402 WeakPolarHBondContact CZ-OG 3.23Å; G398-S402 PolarHBondContact O-N 2.97Å; G398-S402 PolarHBondContact O-OG 2.88Å; I399-S402 WeakPolarHBondContact CA-OG 3.43Å; I399-S402 PolarHBondContact O-N 2.86Å; I399-S402 VanDerWaalsContact O-N 3.14Å; I399-S402 PolarHBondContact O-OG 3.1Å; W400-S402 VanDerWaalsContact C-N 3.34Å; W400-S402 PolarHBondContact O-N 2.68Å; S402-W405 WeakPolarHBondContact O-CB 3.48Å; S402-W405 PolarHBondContact O-N 3.42Å; S402-L406 PolarHBondContact O-N 2.71Å
403	L	98.9	Very high	98.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-69.9	-35.8	174	-69.1	173	0	0	0	112.4	M202 F206 L211 I242 Y243 L247 I399 W400 W405 L406 T407	M202-L403 HydrophobicContact CB-CD1 3.78Å; M202-L403 HydrophobicContact CG-CD1 3.84Å; M202-L403 HydrophobicContact SD-CD1 3.88Å; F206-L403 HydrophobicContact CD1-CB 4.39Å; F206-L403 HydrophobicContact CD2-CB 3.76Å; F206-L403 HydrophobicContact CD2-CD1 3.81Å; F206-L403 HydrophobicContact CD2-CG 4.42Å; F206-L403 HydrophobicContact CE1-CB 4.19Å; F206-L403 HydrophobicContact CE2-CB 3.51Å; F206-L403 HydrophobicContact CE2-CD1 3.84Å; F206-L403 HydrophobicContact CE2-CG 4.35Å; F206-L403 HydrophobicContact CG-CB 4.19Å; F206-L403 HydrophobicContact CZ-CB 3.73Å; L211-L403 HydrophobicContact CD1-CD2 4.05Å; I242-L403 HydrophobicContact CG2-CD1 4.16Å; I242-L403 HydrophobicContact CG2-CD2 4.02Å; Y243-L403 HydrophobicContact CE1-CD2 3.94Å; Y243-L403 HydrophobicContact CE2-CD2 4.44Å; L247-L403 HydrophobicContact CD1-CD2 3.89Å; I399-L403 HydrophobicContact CG2-CD1 4.13Å; I399-L403 HydrophobicContact CG2-CG 4.44Å; I399-L403 PolarHBondContact O-N 3.37Å; W400-L403 PolarHBondContact O-N 2.91Å; L403-W405 VanDerWaalsContact C-N 3.31Å; L403-L406 PolarHBondContact O-N 3.21Å; L403-T407 PolarHBondContact O-N 2.92Å; L403-T407 PolarHBondContact O-OG1 3.11Å
404	A	98.8	Very high	98.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.7	-42.6	172.7	0	0	0	0	0	110.4	F206 L319 F326 W400 S401 T407 V408	F206-A404 HydrophobicContact CE1-CB 3.96Å; F206-A404 HydrophobicContact CZ-CB 4.12Å; L319-A404 HydrophobicContact CD1-CB 4.13Å; L319-A404 HydrophobicContact CD2-CB 3.78Å; F326-A404 HydrophobicContact CE1-CB 4.44Å; F326-A404 HydrophobicContact CE2-CB 4.26Å; F326-A404 HydrophobicContact CZ-CB 3.95Å; W400-A404 HydrophobicContact CH2-CB 4.25Å; W400-A404 HydrophobicContact CZ2-CB 4.32Å; W400-A404 HydrophobicContact CZ3-CB 4.36Å; W400-A404 WeakPolarHBondContact O-CB 3.13Å; W400-A404 PolarHBondContact O-N 3.39Å; S401-A404 PolarHBondContact O-N 3.07Å; A404-T407 WeakPolarHBondContact O-CB 3.13Å; A404-T407 PolarHBondContact O-N 3.23Å; A404-T407 VanDerWaalsContact O-N 3.15Å; A404-V408 WeakPolarHBondContact O-CG2 3.29Å; A404-V408 PolarHBondContact O-N 2.71Å
405	W	98.8	Very high	98.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.5	-46.3	171.9	-95.2	101.1	0	0	0	113.2	F289 I302 V310 S315 I318 L319 S401 S402 L403 T407 V408 L409 V416 I419 V420	F289-W405 HydrophobicContact CE2-CB 3.78Å; F289-W405 HydrophobicContact CE2-CG 4.27Å; F289-W405 HydrophobicContact CZ-CB 4.05Å; I302-W405 HydrophobicContact CD1-CG 4.3Å; I302-W405 HydrophobicContact CG1-CG 4.37Å; I302-W405 HydrophobicContact CG2-CD2 4.16Å; I302-W405 HydrophobicContact CG2-CG 4.32Å; V310-W405 HydrophobicContact CG1-CH2 4.23Å; V310-W405 HydrophobicContact CG1-CZ2 3.83Å; V310-W405 HydrophobicContact CG2-CH2 4.42Å; S315-W405 PolarHBondContact OG-NE1 3.12Å; I318-W405 HydrophobicContact CB-CH2 4.19Å; I318-W405 HydrophobicContact CB-CZ2 4.18Å; I318-W405 HydrophobicContact CD1-CH2 3.64Å; I318-W405 HydrophobicContact CD1-CZ2 4.07Å; I318-W405 HydrophobicContact CG2-CH2 3.77Å; I318-W405 HydrophobicContact CG2-CZ2 4.09Å; I318-W405 HydrophobicContact CG2-CZ3 4.18Å; L319-W405 HydrophobicContact CD2-CD2 4.41Å; L319-W405 HydrophobicContact CD2-CG 4.1Å; S401-W405 PolarHBondContact O-N 3.25Å; S402-W405 WeakPolarHBondContact O-CB 3.48Å; S402-W405 PolarHBondContact O-N 3.42Å; L403-W405 VanDerWaalsContact C-N 3.31Å; W405-T407 PolarHBondContact O-N 3Å; W405-V408 PolarHBondContact O-N 3.05Å; W405-V408 VanDerWaalsContact O-N 3.15Å; W405-L409 WeakPolarHBondContact O-CB 3.22Å; W405-L409 WeakPolarHBondContact O-CG 3.39Å; W405-L409 PolarHBondContact O-N 2.64Å; W405-V416 HydrophobicContact CH2-CG1 4.4Å; W405-V416 HydrophobicContact CZ3-CG1 4.17Å; W405-I419 HydrophobicContact CZ3-CG2 4.4Å; W405-V420 HydrophobicContact CH2-CG2 4.17Å
406	L	98.8	Very high	98.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.9	-33.7	175	-68.5	-169.7	0	0	0	112.4	L211 L214 L215 F224 V226 Y243 F289 S402 L403 L409 A410	L211-L406 HydrophobicContact CD1-CB 4.48Å; L211-L406 HydrophobicContact CD2-CB 3.83Å; L214-L406 HydrophobicContact CD2-CD2 4.46Å; L215-L406 HydrophobicContact CD2-CD1 4.43Å; F224-L406 HydrophobicContact CE1-CD2 4.08Å; V226-L406 HydrophobicContact CG1-CD1 4.47Å; V226-L406 HydrophobicContact CG1-CD2 4.03Å; Y243-L406 HydrophobicContact CD1-CD1 4.41Å; Y243-L406 HydrophobicContact CE1-CD1 3.67Å; F289-L406 HydrophobicContact CD1-CD2 4.03Å; F289-L406 HydrophobicContact CE1-CD2 4.21Å; F289-L406 HydrophobicContact CG-CD2 4.21Å; S402-L406 PolarHBondContact O-N 2.71Å; L403-L406 PolarHBondContact O-N 3.21Å; L406-L409 HydrophobicContact CD2-CD1 4.02Å; L406-L409 PolarHBondContact O-N 3.15Å; L406-A410 WeakPolarHBondContact O-CB 3.49Å; L406-A410 PolarHBondContact O-N 2.95Å
407	T	98.7	Very high	98.5	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.018	8%	0.081	C	C	.	.	H	α-helix	trans	-66.1	-43.3	174.8	-56.3	0	0	0	0	111.3	F206 F326 L403 A404 W405 A410 N411	F206-T407 VanDerWaalsContact CD1-OG1 3.31Å; F206-T407 WeakPolarHBondContact CD1-OG1 3.35Å; F326-T407 HydrophobicContact CD1-CG2 3.66Å; F326-T407 HydrophobicContact CE1-CG2 3.94Å; L403-T407 PolarHBondContact O-N 2.92Å; L403-T407 PolarHBondContact O-OG1 3.11Å; A404-T407 WeakPolarHBondContact O-CB 3.13Å; A404-T407 PolarHBondContact O-N 3.23Å; A404-T407 VanDerWaalsContact O-N 3.15Å; W405-T407 PolarHBondContact O-N 3Å; T407-A410 PolarHBondContact O-N 2.87Å; T407-N411 WeakPolarHBondContact O-CB 3.45Å; T407-N411 PolarHBondContact O-N 3.34Å; T407-N411 PolarHBondContact O-ND2 3.23Å; T407-N411 VanDerWaalsContact O-ND2 3.13Å
408	V	98.8	Very high	98.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.6	-46.2	173.7	-179.8	0	0	0	0	110.7	I318 L319 H322 F326 A404 W405 A410 N411 C412 I419	I318-V408 HydrophobicContact CG2-CG1 4.32Å; L319-V408 HydrophobicContact CD2-CG2 4.05Å; H322-V408 HydrophobicContact CB-CG1 4.31Å; H322-V408 HydrophobicContact CB-CG2 3.58Å; F326-V408 HydrophobicContact CE1-CG2 3.96Å; F326-V408 HydrophobicContact CZ-CG2 4.03Å; A404-V408 WeakPolarHBondContact O-CG2 3.29Å; A404-V408 PolarHBondContact O-N 2.71Å; W405-V408 PolarHBondContact O-N 3.05Å; W405-V408 VanDerWaalsContact O-N 3.15Å; V408-A410 PolarHBondContact O-N 2.79Å; V408-N411 PolarHBondContact O-N 2.72Å; V408-C412 WeakPolarHBondContact O-CB 3.16Å; V408-C412 PolarHBondContact O-N 3.45Å; V408-C412 PolarHBondContact O-SG 3.38Å; V408-I419 HydrophobicContact CG1-CD1 4.22Å; V408-I419 HydrophobicContact CG1-CG2 4.3Å
409	L	98.7	Very high	98.5	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-60.7	-43.6	178.6	-72.5	161	0	0	0	112	L214 F224 F289 W405 L406 C412 Q413 M414 V416 I419	L214-L409 HydrophobicContact CD2-CB 4.18Å; F224-L409 HydrophobicContact CE1-CD1 4.16Å; F224-L409 HydrophobicContact CZ-CD1 3.87Å; F224-L409 HydrophobicContact CZ-CD2 4.26Å; F224-L409 HydrophobicContact CZ-CG 4.48Å; F289-L409 HydrophobicContact CD2-CD1 3.67Å; F289-L409 HydrophobicContact CE2-CD1 4.17Å; F289-L409 HydrophobicContact CG-CD1 4.29Å; W405-L409 WeakPolarHBondContact O-CB 3.22Å; W405-L409 WeakPolarHBondContact O-CG 3.39Å; W405-L409 PolarHBondContact O-N 2.64Å; L406-L409 HydrophobicContact CD2-CD1 4.02Å; L406-L409 PolarHBondContact O-N 3.15Å; L409-C412 PolarHBondContact O-N 3.3Å; L409-Q413 WeakPolarHBondContact O-CA 3.37Å; L409-Q413 PolarHBondContact O-N 3Å; L409-M414 VanDerWaalsContact CD2-O 3.24Å; L409-M414 WeakPolarHBondContact CD2-O 3.09Å; L409-V416 HydrophobicContact CD1-CG2 4.11Å; L409-V416 HydrophobicContact CD2-CG2 3.83Å; L409-I419 HydrophobicContact CD2-CD1 3.59Å; L409-I419 HydrophobicContact CG-CD1 4.24Å
410	A	98.6	Very high	98.5	Very high	2 Å²	2	18.7 Å²	18.7	2%	0.017	10%	0.1	C	C	.	.	H	α-helix	trans	-65	-41.6	177.6	0	0	0	0	0	112.1	L210 L211 L214 L219 L406 T407 V408 Q413	L210-A410 HydrophobicContact CD1-CB 4.01Å; L210-A410 HydrophobicContact CD2-CB 3.87Å; L210-A410 HydrophobicContact CG-CB 3.65Å; L211-A410 HydrophobicContact CD2-CB 4.44Å; L214-A410 HydrophobicContact CB-CB 4.17Å; L214-A410 HydrophobicContact CD2-CB 4Å; L214-A410 HydrophobicContact CG-CB 4.5Å; L219-A410 HydrophobicContact CD2-CB 3.94Å; L219-A410 WeakPolarHBondContact CD2-O 3.45Å; L406-A410 WeakPolarHBondContact O-CB 3.49Å; L406-A410 PolarHBondContact O-N 2.95Å; T407-A410 PolarHBondContact O-N 2.87Å; V408-A410 PolarHBondContact O-N 2.79Å; A410-Q413 WeakPolarHBondContact O-CG 3.32Å
411	N	98.3	Very high	98.5	Very high	78 Å²	78	22.7 Å²	22.7	42%	0.417	12%	0.115	S	C	.	.	H	α-helix	trans	-71.3	-36.6	179	-74.6	-34.9	0	0	0	112.9	S325 T407 V408	S325-N411 WeakPolarHBondContact CB-ND2 3.2Å; S325-N411 PolarHBondContact OG-ND2 2.84Å; T407-N411 WeakPolarHBondContact O-CB 3.45Å; T407-N411 PolarHBondContact O-N 3.34Å; T407-N411 PolarHBondContact O-ND2 3.23Å; T407-N411 VanDerWaalsContact O-ND2 3.13Å; V408-N411 PolarHBondContact O-N 2.72Å
412	C	97.8	Very high	98.4	Very high	35 Å²	35	28.3 Å²	28.3	24%	0.236	14%	0.139	C	C	.	.	H	α-helix	trans	-85.9	-27.7	-179	-68.9	0	0	0	0	113.5	H322 V408 L409 M414 I419	H322-C412 PolarHBondContact CE1-SG 2.9Å; V408-C412 WeakPolarHBondContact O-CB 3.16Å; V408-C412 PolarHBondContact O-N 3.45Å; V408-C412 PolarHBondContact O-SG 3.38Å; L409-C412 PolarHBondContact O-N 3.3Å; C412-M414 HydrophobicContact CB-CB 4.25Å; C412-M414 HydrophobicContact CB-CG 4.35Å; C412-M414 HydrophobicContact CB-SD 4.36Å; C412-M414 WeakPolarHBondContact O-CG 3.1Å; C412-M414 PolarHBondContact O-N 3.35Å; C412-I419 HydrophobicContact CB-CD1 4.01Å; C412-I419 HydrophobicContact CB-CG1 4.18Å
413	Q	97.4	Very high	98.4	Very high	114 Å²	114	28.9 Å²	28.9	53%	0.533	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	38.3	-172.2	-55.9	-175.2	-7.6	0	0	112.8	T220 L409 A410	T220-Q413 HydrophobicContact CG2-CB 4.42Å; T220-Q413 HydrophobicContact CG2-CG 4.29Å; L409-Q413 WeakPolarHBondContact O-CA 3.37Å; L409-Q413 PolarHBondContact O-N 3Å; A410-Q413 WeakPolarHBondContact O-CG 3.32Å
414	M	97.4	Very high	98.4	Very high	58 Å²	58	29.5 Å²	29.5	29%	0.286	14%	0.144	S	C	.	.	S	Bend	trans	-122.4	158.5	-179.6	-71.3	171.9	69.6	0	0	109	L409 C412 D418 I419 K422	L409-M414 VanDerWaalsContact CD2-O 3.24Å; L409-M414 WeakPolarHBondContact CD2-O 3.09Å; C412-M414 HydrophobicContact CB-CB 4.25Å; C412-M414 HydrophobicContact CB-CG 4.35Å; C412-M414 HydrophobicContact CB-SD 4.36Å; C412-M414 WeakPolarHBondContact O-CG 3.1Å; C412-M414 PolarHBondContact O-N 3.35Å; M414-D418 HydrophobicContact CB-CB 4.27Å; M414-D418 HydrophobicContact CE-CB 3.58Å; M414-I419 HydrophobicContact CB-CD1 4.2Å; M414-I419 HydrophobicContact CB-CG1 3.71Å; M414-K422 HydrophobicContact CE-CB 4.32Å; M414-K422 HydrophobicContact CE-CD 4.02Å; M414-K422 HydrophobicContact SD-CD 4.19Å
415	S	98	Very high	98.4	Very high	21 Å²	21	32.4 Å²	32.4	15%	0.147	17%	0.165	C	C	.	.			trans	-71	160	171.1	82.5	0	0	0	0	111.2	E305 G417 D418 I419	E305-S415 WeakPolarHBondContact OE1-CB 3.39Å; E305-S415 PolarHBondContact OE1-OG 2.78Å; S415-G417 PolarHBondContact O-N 3.25Å; S415-D418 PolarHBondContact O-N 3.24Å; S415-D418 VanDerWaalsContact O-N 3.13Å; S415-D418 PolarHBondContact OG-N 3.27Å; S415-I419 WeakPolarHBondContact O-CG1 3.46Å; S415-I419 PolarHBondContact O-N 3.31Å
416	V	98.8	Very high	98.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-52.4	-46.1	176.1	173.8	0	0	0	0	110.8	F289 V310 W405 L409 D418 I419 V420	F289-V416 HydrophobicContact CD2-CG2 3.91Å; V310-V416 HydrophobicContact CG2-CG1 3.4Å; W405-V416 HydrophobicContact CH2-CG1 4.4Å; W405-V416 HydrophobicContact CZ3-CG1 4.17Å; L409-V416 HydrophobicContact CD1-CG2 4.11Å; L409-V416 HydrophobicContact CD2-CG2 3.83Å; V416-D418 VanDerWaalsContact C-N 3.35Å; V416-D418 PolarHBondContact O-N 3.01Å; V416-I419 PolarHBondContact O-N 3.16Å; V416-V420 HydrophobicContact CG1-CG2 4.44Å; V416-V420 VanDerWaalsContact O-CG2 3.26Å; V416-V420 WeakPolarHBondContact O-CG2 3.43Å; V416-V420 PolarHBondContact O-N 2.91Å
417	G	98.2	Very high	98.3	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-64	-38	-179.3	0	0	0	0	0	113	S415 R421	S415-G417 PolarHBondContact O-N 3.25Å; G417-R421 VanDerWaalsContact C-CZ 3.44Å; G417-R421 WeakPolarHBondContact O-CB 3.35Å; G417-R421 WeakPolarHBondContact O-CG 2.99Å; G417-R421 VanDerWaalsContact O-CZ 3.29Å; G417-R421 PolarHBondContact O-N 2.93Å; G417-R421 PolarHBondContact O-NE 3.38Å
418	D	98.6	Very high	98.3	Very high	69 Å²	69	37.7 Å²	37.7	37%	0.369	20%	0.196	S	C	.	.	H	α-helix	trans	-71	-37.7	177.6	-71.7	-24.1	0	0	0	112.3	M414 S415 V416 R421 K422	M414-D418 HydrophobicContact CB-CB 4.27Å; M414-D418 HydrophobicContact CE-CB 3.58Å; S415-D418 PolarHBondContact O-N 3.24Å; S415-D418 VanDerWaalsContact O-N 3.13Å; S415-D418 PolarHBondContact OG-N 3.27Å; V416-D418 VanDerWaalsContact C-N 3.35Å; V416-D418 PolarHBondContact O-N 3.01Å; D418-R421 PolarHBondContact O-N 3.02Å; D418-R421 IonicContact OD1-CZ 3.34Å; D418-R421 IonicContact OD1-NE 2.84Å; D418-R421 PolarHBondContact OD1-NE 3.49Å; D418-R421 IonicContact OD1-NH2 3.8Å; D418-R421 PolarHBondContact OD1-NH2 2.99Å; D418-K422 VanDerWaalsContact O-CB 3.24Å; D418-K422 WeakPolarHBondContact O-CB 3.41Å; D418-K422 PolarHBondContact O-N 2.92Å
419	I	98.8	Very high	98.2	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-62.1	-46.3	173.9	-67.8	166.4	0	0	0	110.1	I318 W405 V408 L409 C412 M414 S415 V416 K422 H423	I318-I419 HydrophobicContact CG2-CG2 3.88Å; W405-I419 HydrophobicContact CZ3-CG2 4.4Å; V408-I419 HydrophobicContact CG1-CD1 4.22Å; V408-I419 HydrophobicContact CG1-CG2 4.3Å; L409-I419 HydrophobicContact CD2-CD1 3.59Å; L409-I419 HydrophobicContact CG-CD1 4.24Å; C412-I419 HydrophobicContact CB-CD1 4.01Å; C412-I419 HydrophobicContact CB-CG1 4.18Å; M414-I419 HydrophobicContact CB-CD1 4.2Å; M414-I419 HydrophobicContact CB-CG1 3.71Å; S415-I419 WeakPolarHBondContact O-CG1 3.46Å; S415-I419 PolarHBondContact O-N 3.31Å; V416-I419 PolarHBondContact O-N 3.16Å; I419-K422 PolarHBondContact O-N 3.19Å; I419-H423 WeakPolarHBondContact O-CB 3.44Å; I419-H423 PolarHBondContact O-N 2.92Å
420	V	98.7	Very high	98.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-46.7	178.7	173.3	0	0	0	0	111.1	F308 V310 I318 W405 V416 K422 H423 W424	F308-V420 HydrophobicContact CE1-CB 3.76Å; F308-V420 HydrophobicContact CE1-CG1 3.76Å; F308-V420 HydrophobicContact CE1-CG2 3.93Å; F308-V420 HydrophobicContact CZ-CB 4.09Å; F308-V420 HydrophobicContact CZ-CG1 3.86Å; V310-V420 HydrophobicContact CG1-CG2 4.19Å; V310-V420 HydrophobicContact CG2-CG2 4.04Å; I318-V420 HydrophobicContact CD1-CB 4.25Å; I318-V420 HydrophobicContact CD1-CG2 3.54Å; W405-V420 HydrophobicContact CH2-CG2 4.17Å; V416-V420 HydrophobicContact CG1-CG2 4.44Å; V416-V420 VanDerWaalsContact O-CG2 3.26Å; V416-V420 WeakPolarHBondContact O-CG2 3.43Å; V416-V420 PolarHBondContact O-N 2.91Å; V420-K422 VanDerWaalsContact C-N 3.34Å; V420-K422 PolarHBondContact O-N 2.79Å; V420-H423 WeakPolarHBondContact O-CB 3.4Å; V420-H423 PolarHBondContact O-N 3.08Å; V420-W424 HydrophobicContact CG1-CD2 3.84Å; V420-W424 HydrophobicContact CG1-CE3 4.23Å; V420-W424 HydrophobicContact CG1-CH2 3.67Å; V420-W424 HydrophobicContact CG1-CZ2 3.21Å; V420-W424 HydrophobicContact CG1-CZ3 4.16Å; V420-W424 PolarHBondContact O-N 3.41Å
421	R	98.1	Very high	98.1	Very high	88 Å²	88	38.8 Å²	38.8	33%	0.332	20%	0.2	S	C	.	.	H	α-helix	trans	-61.8	-40.6	176.4	-76.7	-177	-73.1	-87.9	6.6	112.4	G417 D418 H423 W424 S425	G417-R421 VanDerWaalsContact C-CZ 3.44Å; G417-R421 WeakPolarHBondContact O-CB 3.35Å; G417-R421 WeakPolarHBondContact O-CG 2.99Å; G417-R421 VanDerWaalsContact O-CZ 3.29Å; G417-R421 PolarHBondContact O-N 2.93Å; G417-R421 PolarHBondContact O-NE 3.38Å; D418-R421 PolarHBondContact O-N 3.02Å; D418-R421 IonicContact OD1-CZ 3.34Å; D418-R421 IonicContact OD1-NE 2.84Å; D418-R421 PolarHBondContact OD1-NE 3.49Å; D418-R421 IonicContact OD1-NH2 3.8Å; D418-R421 PolarHBondContact OD1-NH2 2.99Å; R421-H423 VanDerWaalsContact C-N 3.35Å; R421-W424 HydrophobicContact CG-CE3 4.42Å; R421-W424 PolarHBondContact O-N 2.96Å; R421-S425 PolarHBondContact O-N 2.88Å
422	K	98.5	Very high	98.1	Very high	118 Å²	118	35.3 Å²	35.3	51%	0.513	18%	0.182	S	C	.	.	H	α-helix	trans	-63.1	-42.2	174.6	-178.2	176.4	178.4	179.2	0	111.3	M414 D418 I419 V420 S425 T426	M414-K422 HydrophobicContact CE-CB 4.32Å; M414-K422 HydrophobicContact CE-CD 4.02Å; M414-K422 HydrophobicContact SD-CD 4.19Å; D418-K422 VanDerWaalsContact O-CB 3.24Å; D418-K422 WeakPolarHBondContact O-CB 3.41Å; D418-K422 PolarHBondContact O-N 2.92Å; I419-K422 PolarHBondContact O-N 3.19Å; V420-K422 VanDerWaalsContact C-N 3.34Å; V420-K422 PolarHBondContact O-N 2.79Å; K422-S425 PolarHBondContact O-N 3.32Å; K422-S425 PolarHBondContact O-OG 3Å; K422-T426 PolarHBondContact O-N 3.4Å; K422-T426 VanDerWaalsContact O-N 3.16Å; K422-T426 PolarHBondContact O-OG1 2.83Å
423	H	98.6	Very high	98	Very high	11 Å²	11	34.1 Å²	34.1	5%	0.051	17%	0.173	C	C	.	.	H	α-helix	trans	-58.5	-51.7	174.5	-172.6	90.3	0	0	0	111	I318 I419 V420 R421 S425 T426 F427	I318-H423 HydrophobicContact CD1-CB 4.28Å; I318-H423 HydrophobicContact CG1-CB 3.95Å; I419-H423 WeakPolarHBondContact O-CB 3.44Å; I419-H423 PolarHBondContact O-N 2.92Å; V420-H423 WeakPolarHBondContact O-CB 3.4Å; V420-H423 PolarHBondContact O-N 3.08Å; R421-H423 VanDerWaalsContact C-N 3.35Å; H423-S425 VanDerWaalsContact C-N 3.33Å; H423-S425 PolarHBondContact O-N 3.11Å; H423-T426 PolarHBondContact O-N 2.65Å; H423-F427 AromaticContact CD2-CD2 3.97Å; H423-F427 AromaticContact CE1-CD2 3.46Å; H423-F427 VanDerWaalsContact CE1-CD2 3.46Å; H423-F427 WeakPolarHBondContact CE1-CD2 3.21Å; H423-F427 AromaticContact CE1-CE2 3.67Å; H423-F427 AromaticContact CG-CD2 3.9Å; H423-F427 AromaticContact ND1-CD2 3.58Å; H423-F427 AromaticContact ND1-CE2 3.66Å; H423-F427 AromaticContact NE2-CD2 3.7Å; H423-F427 WeakPolarHBondContact O-CD2 3.31Å; H423-F427 PolarHBondContact O-N 3.46Å
424	W	98.4	Very high	98	Very high	13 Å²	13	28.9 Å²	28.9	5%	0.049	15%	0.149	C	C	.	.	H	α-helix	trans	-59	-41.6	177.1	-62.6	-21.8	0	0	0	112.9	F308 D314 V420 R421 T426 F427 G428 R429 Q535	F308-W424 AromaticContact CZ-CH2 3.91Å; F308-W424 HydrophobicContact CZ-CH2 3.91Å; F308-W424 HydrophobicContact CZ-CZ3 4.29Å; D314-W424 PolarHBondContact OD1-NE1 2.6Å; V420-W424 HydrophobicContact CG1-CD2 3.84Å; V420-W424 HydrophobicContact CG1-CE3 4.23Å; V420-W424 HydrophobicContact CG1-CH2 3.67Å; V420-W424 HydrophobicContact CG1-CZ2 3.21Å; V420-W424 HydrophobicContact CG1-CZ3 4.16Å; V420-W424 PolarHBondContact O-N 3.41Å; R421-W424 HydrophobicContact CG-CE3 4.42Å; R421-W424 PolarHBondContact O-N 2.96Å; W424-T426 PolarHBondContact O-N 3.04Å; W424-F427 PolarHBondContact O-N 2.94Å; W424-G428 CarbonylContact O-C 3.51Å; W424-G428 WeakPolarHBondContact O-CA 3.38Å; W424-G428 PolarHBondContact O-N 3.35Å; W424-R429 HydrophobicContact CB-CB 4.14Å; W424-R429 HydrophobicContact CD2-CB 4.2Å; W424-R429 HydrophobicContact CD2-CG 3.81Å; W424-R429 HydrophobicContact CE3-CG 4.41Å; W424-R429 HydrophobicContact CG-CB 3.87Å; W424-R429 HydrophobicContact CG-CG 3.93Å; W424-R429 VanDerWaalsContact CH2-NE 3.34Å; W424-R429 HydrophobicContact CZ2-CG 4.25Å; W424-R429 VanDerWaalsContact CZ2-NE 3.31Å; W424-Q535 HydrophobicContact CB-CB 4.5Å; W424-Q535 PolarHBondContact O-NE2 3.03Å; W424-Q535 PolarHBondContact O-OE1 2.91Å
425	S	98.2	Very high	97.9	Very high	62 Å²	62	28 Å²	28	43%	0.434	14%	0.143	S	C	.	.	H	α-helix	trans	-62.8	-25.4	176.9	73	0	0	0	0	113.4	R421 K422 H423	R421-S425 PolarHBondContact O-N 2.88Å; K422-S425 PolarHBondContact O-N 3.32Å; K422-S425 PolarHBondContact O-OG 3Å; H423-S425 VanDerWaalsContact C-N 3.33Å; H423-S425 PolarHBondContact O-N 3.11Å
426	T	98	Very high	97.8	Very high	82 Å²	82	27.1 Å²	27.1	50%	0.503	14%	0.136	S	C	.	.	H	α-helix	trans	-88.9	-38.5	-178.6	-56.4	0	0	0	0	112.4	K422 H423 W424	K422-T426 PolarHBondContact O-N 3.4Å; K422-T426 VanDerWaalsContact O-N 3.16Å; K422-T426 PolarHBondContact O-OG1 2.83Å; H423-T426 PolarHBondContact O-N 2.65Å; W424-T426 PolarHBondContact O-N 3.04Å
427	F	98	Very high	97.6	Very high	23 Å²	23	27.2 Å²	27.2	10%	0.101	14%	0.137	C	C	.	.	H	α-helix	trans	-113	-8.4	-170.5	-62.8	-76.9	0	0	0	114	R350 V351 K354 H423 W424 Y528	R350-F427 HydrophobicContact CB-CB 4.31Å; R350-F427 HydrophobicContact CB-CD1 4.14Å; R350-F427 VanDerWaalsContact CD-O 3.29Å; R350-F427 WeakPolarHBondContact CD-O 3.28Å; V351-F427 HydrophobicContact CG2-CD1 4.39Å; V351-F427 HydrophobicContact CG2-CD2 4.49Å; V351-F427 HydrophobicContact CG2-CE1 4.15Å; V351-F427 HydrophobicContact CG2-CE2 4.29Å; V351-F427 HydrophobicContact CG2-CZ 4.12Å; K354-F427 HydrophobicContact CB-CE1 3.61Å; K354-F427 HydrophobicContact CB-CZ 4.42Å; K354-F427 HydrophobicContact CG-CE1 3.81Å; K354-F427 HydrophobicContact CG-CZ 4.26Å; H423-F427 AromaticContact CD2-CD2 3.97Å; H423-F427 AromaticContact CE1-CD2 3.46Å; H423-F427 VanDerWaalsContact CE1-CD2 3.46Å; H423-F427 WeakPolarHBondContact CE1-CD2 3.21Å; H423-F427 AromaticContact CE1-CE2 3.67Å; H423-F427 AromaticContact CG-CD2 3.9Å; H423-F427 AromaticContact ND1-CD2 3.58Å; H423-F427 AromaticContact ND1-CE2 3.66Å; H423-F427 AromaticContact NE2-CD2 3.7Å; H423-F427 WeakPolarHBondContact O-CD2 3.31Å; H423-F427 PolarHBondContact O-N 3.46Å; W424-F427 PolarHBondContact O-N 2.94Å; F427-Y528 PolarHBondContact O-OH 2.95Å
428	G	97.7	Very high	97.3	Very high	8 Å²	8	29 Å²	29	8%	0.082	15%	0.145	C	C	.	.			trans	78	169.6	-159.5	0	0	0	0	0	111.9	W424	W424-G428 CarbonylContact O-C 3.51Å; W424-G428 WeakPolarHBondContact O-CA 3.38Å; W424-G428 PolarHBondContact O-N 3.35Å
429	R	97.9	Very high	96.8	Very high	22 Å²	22	30 Å²	30	8%	0.083	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.8	178.7	-175.1	176.6	-178.7	-158.6	-2.1	110.6	W424 V431 E529 Q535 L537	W424-R429 HydrophobicContact CB-CB 4.14Å; W424-R429 HydrophobicContact CD2-CB 4.2Å; W424-R429 HydrophobicContact CD2-CG 3.81Å; W424-R429 HydrophobicContact CE3-CG 4.41Å; W424-R429 HydrophobicContact CG-CB 3.87Å; W424-R429 HydrophobicContact CG-CG 3.93Å; W424-R429 VanDerWaalsContact CH2-NE 3.34Å; W424-R429 HydrophobicContact CZ2-CG 4.25Å; W424-R429 VanDerWaalsContact CZ2-NE 3.31Å; R429-V431 HydrophobicContact CG-CG2 3.91Å; R429-V431 PolarHBondContact O-N 2.95Å; R429-E529 PolarHBondContact N-O 3.49Å; R429-E529 PolarHBondContact O-N 3.46Å; R429-Q535 HydrophobicContact CB-CB 4.21Å; R429-Q535 HydrophobicContact CB-CG 3.8Å; R429-Q535 WeakPolarHBondContact CD-O 3.09Å; R429-Q535 PolarHBondContact NH1-O 2.95Å; R429-L537 PolarHBondContact NH1-O 3.43Å
430	N	97.7	Very high	96.4	Very high	2 Å²	2	30 Å²	30	1%	0.011	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	96.2	161.5	-83.4	87	0	0	0	108	A345 A347 R350 F432 D526 S527	A345-N430 HydrophobicContact CB-CB 4.09Å; A347-N430 HydrophobicContact CB-CB 4.15Å; R350-N430 PolarHBondContact NE-OD1 2.83Å; N430-F432 PolarHBondContact O-N 2.98Å; N430-D526 PolarHBondContact ND2-OD1 2.9Å; N430-D526 PolarHBondContact ND2-OD2 3.39Å; N430-S527 CarbonylContact C-O 3.34Å
431	V	97.9	Very high	96.1	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	118.6	177.4	-162.7	0	0	0	0	107.4	R429 D526 S527 E529 L542 L543	R429-V431 HydrophobicContact CG-CG2 3.91Å; R429-V431 PolarHBondContact O-N 2.95Å; V431-D526 CarbonylContact O-C 3.52Å; V431-D526 WeakPolarHBondContact O-CA 3.23Å; V431-S527 PolarHBondContact N-O 3.46Å; V431-S527 PolarHBondContact O-N 3.09Å; V431-E529 HydrophobicContact CG2-CB 4.28Å; V431-L542 HydrophobicContact CG1-CB 4.2Å; V431-L542 HydrophobicContact CG1-CD1 4.35Å; V431-L542 HydrophobicContact CG2-CB 4.31Å; V431-L542 HydrophobicContact CG2-CD1 3.72Å; V431-L543 HydrophobicContact CB-CD1 4.48Å; V431-L543 HydrophobicContact CB-CD2 3.9Å; V431-L543 HydrophobicContact CB-CG 4.13Å; V431-L543 HydrophobicContact CG1-CD1 3.87Å; V431-L543 HydrophobicContact CG1-CD2 3.99Å; V431-L543 HydrophobicContact CG1-CG 3.63Å; V431-L543 WeakPolarHBondContact O-CD2 3.27Å
432	F	97.2	Very high	95.7	Very high	5 Å²	5	32.3 Å²	32.3	2%	0.022	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142.9	-172.2	177	-96.4	0	0	0	111.4	P343 A345 E384 N430 R434 Y524 V525 D526	P343-F432 WeakPolarHBondContact O-CE2 3.3Å; A345-F432 HydrophobicContact CB-CB 3.98Å; A345-F432 HydrophobicContact CB-CD2 3.76Å; A345-F432 HydrophobicContact CB-CG 4.1Å; E384-F432 HydrophobicContact CB-CE1 4.28Å; E384-F432 HydrophobicContact CB-CZ 3.8Å; E384-F432 HydrophobicContact CG-CZ 4.28Å; N430-F432 PolarHBondContact O-N 2.98Å; F432-R434 HydrophobicContact CE1-CB 4.29Å; F432-R434 HydrophobicContact CZ-CB 4.23Å; F432-Y524 HydrophobicContact CE2-CD1 4.4Å; F432-Y524 HydrophobicContact CZ-CD1 4.07Å; F432-V525 CarbonylContact C-O 3.58Å; F432-V525 VanDerWaalsContact CA-O 3.32Å; F432-V525 WeakPolarHBondContact CA-O 3.49Å; F432-D526 HydrophobicContact CD2-CB 4.32Å
433	T	97	Very high	95.4	Very high	10 Å²	10	30.1 Å²	30.1	6%	0.061	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	151.6	159.4	-165.4	0	0	0	0	111.2	Y435 V525 L543 I547 I568 T569	T433-Y435 HydrophobicContact CG2-CD1 4.18Å; T433-Y435 HydrophobicContact CG2-CE1 3.87Å; T433-V525 HydrophobicContact CG2-CB 4.08Å; T433-V525 HydrophobicContact CG2-CG2 4.45Å; T433-V525 PolarHBondContact N-O 2.98Å; T433-V525 PolarHBondContact O-N 2.8Å; T433-L543 HydrophobicContact CG2-CD1 3.7Å; T433-I547 HydrophobicContact CG2-CD1 4.11Å; T433-I547 HydrophobicContact CG2-CG1 4.44Å; T433-I568 WeakPolarHBondContact OG1-CG2 3.28Å; T433-T569 CarbonylContact C-O 3.59Å; T433-T569 WeakPolarHBondContact CA-O 3.22Å; T433-T569 WeakPolarHBondContact CB-O 3.39Å; T433-T569 PolarHBondContact OG1-O 3.33Å
434	R	96.2	Very high	95.2	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.015	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.3	168.5	-176.2	-173.3	76.8	-143.6	1.9	110.2	E384 F432 D436 V523 Y524 I568 T569	E384-R434 IonicContact OE1-NH1 3.72Å; E384-R434 PolarHBondContact OE1-NH1 2.92Å; E384-R434 VanDerWaalsContact OE2-CD 3.24Å; E384-R434 WeakPolarHBondContact OE2-CD 3.28Å; E384-R434 IonicContact OE2-CZ 3.63Å; E384-R434 IonicContact OE2-NE 2.81Å; E384-R434 IonicContact OE2-NH1 3.2Å; E384-R434 PolarHBondContact OE2-NH1 2.67Å; F432-R434 HydrophobicContact CE1-CB 4.29Å; F432-R434 HydrophobicContact CZ-CB 4.23Å; R434-D436 IonicContact CZ-OD1 2.8Å; R434-D436 IonicContact CZ-OD2 3.26Å; R434-D436 VanDerWaalsContact NE-CG 3.31Å; R434-D436 IonicContact NE-OD1 2.8Å; R434-D436 PolarHBondContact NE-OD1 2.87Å; R434-D436 IonicContact NE-OD2 3.7Å; R434-D436 PolarHBondContact NE-OD2 3.15Å; R434-D436 IonicContact NH2-OD1 3.12Å; R434-D436 IonicContact NH2-OD2 2.7Å; R434-D436 PolarHBondContact NH2-OD2 3.14Å; R434-V523 CarbonylContact C-O 3.58Å; R434-V523 WeakPolarHBondContact CA-O 3.33Å; R434-Y524 HydrophobicContact CB-CD1 4.03Å; R434-Y524 HydrophobicContact CB-CE1 4.46Å; R434-Y524 HydrophobicContact CG-CD1 3.63Å; R434-Y524 HydrophobicContact CG-CE1 3.69Å; R434-Y524 HydrophobicContact CG-CG 4.37Å; R434-I568 WeakPolarHBondContact O-CA 3.48Å; R434-T569 PolarHBondContact N-O 3.27Å; R434-T569 PolarHBondContact NH2-OG1 2.98Å; R434-T569 PolarHBondContact O-N 3.01Å
435	Y	96.2	Very high	95.1	Very high	40 Å²	40	30 Å²	30	16%	0.157	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	119.3	171	-76.7	15.5	0	0	0	109.5	T433 Y437 R522 V523 I547 P565 I568	T433-Y435 HydrophobicContact CG2-CD1 4.18Å; T433-Y435 HydrophobicContact CG2-CE1 3.87Å; Y435-Y437 HydrophobicContact CD2-CE2 4.37Å; Y435-R522 WeakPolarHBondContact O-CA 3.48Å; Y435-V523 PolarHBondContact N-O 3.14Å; Y435-V523 PolarHBondContact O-N 3.06Å; Y435-I547 HydrophobicContact CE2-CG2 3.94Å; Y435-P565 HydrophobicContact CD1-CG 4.21Å; Y435-P565 HydrophobicContact CD2-CB 4.2Å; Y435-P565 HydrophobicContact CD2-CG 3.73Å; Y435-P565 HydrophobicContact CE2-CG 4.08Å; Y435-P565 HydrophobicContact CG-CB 4.01Å; Y435-P565 HydrophobicContact CG-CG 3.79Å; Y435-I568 HydrophobicContact CD1-CB 4.41Å; Y435-I568 HydrophobicContact CD1-CD1 4.47Å; Y435-I568 HydrophobicContact CD1-CG1 3.93Å; Y435-I568 HydrophobicContact CD1-CG2 4Å; Y435-I568 HydrophobicContact CE1-CB 4.39Å; Y435-I568 HydrophobicContact CE1-CD1 3.94Å; Y435-I568 HydrophobicContact CE1-CG1 3.88Å; Y435-I568 HydrophobicContact CE1-CG2 3.72Å
436	D	94.8	Very high	94.9	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.011	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	125.6	172.2	-62.1	-71.5	0	0	0	110.5	R434 E438 T520 R522 T566 V567	R434-D436 IonicContact CZ-OD1 2.8Å; R434-D436 IonicContact CZ-OD2 3.26Å; R434-D436 VanDerWaalsContact NE-CG 3.31Å; R434-D436 IonicContact NE-OD1 2.8Å; R434-D436 PolarHBondContact NE-OD1 2.87Å; R434-D436 IonicContact NE-OD2 3.7Å; R434-D436 PolarHBondContact NE-OD2 3.15Å; R434-D436 IonicContact NH2-OD1 3.12Å; R434-D436 IonicContact NH2-OD2 2.7Å; R434-D436 PolarHBondContact NH2-OD2 3.14Å; D436-E438 HydrophobicContact CB-CG 4.21Å; D436-T520 HydrophobicContact CB-CG2 4.37Å; D436-R522 VanDerWaalsContact OD1-CD 3.28Å; D436-R522 WeakPolarHBondContact OD1-CD 3.22Å; D436-R522 WeakPolarHBondContact OD1-CG 3.49Å; D436-R522 IonicContact OD1-CZ 3.96Å; D436-R522 IonicContact OD1-NE 3.58Å; D436-R522 PolarHBondContact OD1-NE 2.84Å; D436-T566 PolarHBondContact O-N 3.49Å; D436-V567 HydrophobicContact CB-CB 4.16Å; D436-V567 PolarHBondContact N-O 3.27Å; D436-V567 PolarHBondContact O-N 3.49Å
437	Y	94.5	Very high	94.9	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	93.9	171.9	-67.2	-102	0	0	0	108.3	Y435 C440 T520 V521 V523 I556 R562 K564 P565	Y435-Y437 HydrophobicContact CD2-CE2 4.37Å; Y437-C440 PolarHBondContact O-SG 3.39Å; Y437-T520 VanDerWaalsContact O-CA 3.3Å; Y437-T520 WeakPolarHBondContact O-CA 3.4Å; Y437-V521 PolarHBondContact N-O 3.2Å; Y437-V521 PolarHBondContact O-N 3.22Å; Y437-V523 HydrophobicContact CE2-CG2 4.49Å; Y437-I556 HydrophobicContact CD1-CD1 3.9Å; Y437-I556 HydrophobicContact CD1-CG1 4.41Å; Y437-I556 HydrophobicContact CD2-CD1 3.37Å; Y437-I556 HydrophobicContact CE1-CD1 4.09Å; Y437-I556 HydrophobicContact CE1-CG1 4.49Å; Y437-I556 HydrophobicContact CE1-CG2 4.27Å; Y437-I556 HydrophobicContact CE2-CD1 3.6Å; Y437-I556 HydrophobicContact CG-CD1 3.52Å; Y437-I556 HydrophobicContact CG-CG1 4.45Å; Y437-R562 HydrophobicContact CD1-CB 3.68Å; Y437-R562 HydrophobicContact CD1-CG 4.19Å; Y437-R562 HydrophobicContact CE1-CB 3.97Å; Y437-K564 VanDerWaalsContact CE1-C 3.49Å; Y437-K564 WeakPolarHBondContact CE1-O 3.31Å; Y437-P565 HydrophobicContact CD2-CB 4.34Å; Y437-P565 HydrophobicContact CE1-CB 4.43Å; Y437-P565 HydrophobicContact CE2-CB 3.99Å
438	E	91.5	Very high	94.8	Very high	40 Å²	40	29.6 Å²	29.6	19%	0.187	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	160.6	-171.7	-59.2	-176.5	152.8	0	0	112.7	D436 C440 T520 R562 T566	D436-E438 HydrophobicContact CB-CG 4.21Å; E438-C440 PolarHBondContact O-N 3.46Å; E438-T520 HydrophobicContact CG-CG2 3.95Å; E438-R562 PolarHBondContact O-NH2 2.75Å; E438-T566 HydrophobicContact CB-CG2 4.34Å; E438-T566 HydrophobicContact CG-CG2 4.42Å; E438-T566 PolarHBondContact N-OG1 2.82Å
439	N	88	Confident	94.8	Very high	89 Å²	89	30.3 Å²	30.3	48%	0.476	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	49.9	43.8	176.4	-63.9	-41.1	0	0	0	112.6	T517 A519 R562	N439-T517 PolarHBondContact OD1-O 3.42Å; N439-T517 PolarHBondContact OD1-OG1 2.91Å; N439-A519 PolarHBondContact N-O 2.98Å; N439-R562 PolarHBondContact O-NH2 2.92Å
440	C	92.1	Very high	94.8	Very high	7 Å²	7	34 Å²	34	5%	0.047	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	161	174.8	-64.4	0	0	0	0	110.8	Y437 E438 G442 C445 A519 T560	Y437-C440 PolarHBondContact O-SG 3.39Å; E438-C440 PolarHBondContact O-N 3.46Å; C440-G442 PolarHBondContact O-N 3.49Å; C440-C445 WeakPolarHBondContact CB-SG 3.06Å; C440-A519 PolarHBondContact N-O 2.99Å; C440-A519 PolarHBondContact O-N 2.94Å; C440-T560 HydrophobicContact CB-CG2 4.24Å
441	D	91.4	Very high	94.9	Very high	102 Å²	102	37.4 Å²	37.4	55%	0.545	21%	0.211	S	C	.	.			trans	-64	126.9	174.3	177.8	-99.1	0	0	0	111	A443 A444 C445	D441-A443 PolarHBondContact O-N 2.95Å; D441-A443 PolarHBondContact OD1-N 2.92Å; D441-A443 VanDerWaalsContact OD1-N 3.11Å; D441-A444 HydrophobicContact CB-CB 4.12Å; D441-A444 WeakPolarHBondContact OD1-CB 3.46Å; D441-A444 PolarHBondContact OD1-N 3.38Å; D441-C445 WeakPolarHBondContact O-CB 3.18Å; D441-C445 PolarHBondContact O-N 3.38Å; D441-C445 PolarHBondContact O-SG 2.83Å
442	G	89.8	Confident	94.9	Very high	34 Å²	34	37.4 Å²	37.4	35%	0.351	21%	0.211	S	C	.	.	H	α-helix	trans	-67.1	-38.4	-173.3	0	0	0	0	0	113.6	C440 K446	C440-G442 PolarHBondContact O-N 3.49Å; G442-K446 WeakPolarHBondContact O-CB 3.4Å; G442-K446 PolarHBondContact O-N 3.32Å
443	A	92.6	Very high	95	Very high	71 Å²	71	40 Å²	40	59%	0.587	22%	0.223	S	C	*	.	H	α-helix	trans	-70.3	-43.2	-179.1	0	0	0	0	0	111	D441 K446 A447	D441-A443 PolarHBondContact O-N 2.95Å; D441-A443 PolarHBondContact OD1-N 2.92Å; D441-A443 VanDerWaalsContact OD1-N 3.11Å; A443-K446 WeakPolarHBondContact O-CB 3.42Å; A443-K446 PolarHBondContact O-N 2.99Å; A443-A447 PolarHBondContact O-N 3.28Å
444	A	95	Very high	95	Very high	23 Å²	23	46.6 Å²	46.6	19%	0.19	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-41.6	176.2	0	0	0	0	0	112.1	D441 K446 A447 M448 Y559	D441-A444 HydrophobicContact CB-CB 4.12Å; D441-A444 WeakPolarHBondContact OD1-CB 3.46Å; D441-A444 PolarHBondContact OD1-N 3.38Å; A444-K446 VanDerWaalsContact C-N 3.33Å; A444-K446 PolarHBondContact O-N 2.89Å; A444-A447 PolarHBondContact O-N 2.87Å; A444-M448 PolarHBondContact O-N 3.5Å; A444-Y559 VanDerWaalsContact CB-O 3.27Å; A444-Y559 WeakPolarHBondContact CB-O 3.41Å; A444-Y559 WeakPolarHBondContact O-CD1 3.47Å
445	C	95.2	Very high	95.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.4	-38.1	175	-66	0	0	0	0	112	C440 D441 M448 M449 L511 A519 V521	C440-C445 WeakPolarHBondContact CB-SG 3.06Å; D441-C445 WeakPolarHBondContact O-CB 3.18Å; D441-C445 PolarHBondContact O-N 3.38Å; D441-C445 PolarHBondContact O-SG 2.83Å; C445-M448 WeakPolarHBondContact O-CB 3.34Å; C445-M448 PolarHBondContact O-N 2.93Å; C445-M449 WeakPolarHBondContact O-CG 3.5Å; C445-M449 PolarHBondContact O-N 2.79Å; C445-M449 VanDerWaalsContact O-N 3.07Å; C445-L511 HydrophobicContact CB-CD1 3.59Å; C445-A519 HydrophobicContact CB-CB 4.22Å; C445-V521 HydrophobicContact CB-CG2 3.76Å; C445-V521 VanDerWaalsContact SG-CG2 3.51Å
446	K	94.5	Very high	95.2	Very high	118 Å²	118	46.7 Å²	46.7	51%	0.513	26%	0.256	S	S	.	.	H	α-helix	trans	-63.1	-46.6	174.9	-167.2	-170.5	-178.3	-130.5	0	111.2	G442 A443 A444 M448 M449 E450	G442-K446 WeakPolarHBondContact O-CB 3.4Å; G442-K446 PolarHBondContact O-N 3.32Å; A443-K446 WeakPolarHBondContact O-CB 3.42Å; A443-K446 PolarHBondContact O-N 2.99Å; A444-K446 VanDerWaalsContact C-N 3.33Å; A444-K446 PolarHBondContact O-N 2.89Å; K446-M448 VanDerWaalsContact C-N 3.29Å; K446-M448 PolarHBondContact O-N 3.11Å; K446-M449 PolarHBondContact O-N 3.36Å; K446-E450 WeakPolarHBondContact CE-OE1 3.18Å; K446-E450 IonicContact NZ-OE1 3.99Å; K446-E450 PolarHBondContact NZ-OE1 3.1Å; K446-E450 WeakPolarHBondContact O-CG 3.35Å; K446-E450 PolarHBondContact O-N 3.07Å
447	A	96.9	Very high	95.4	Very high	38 Å²	38	50.9 Å²	50.9	31%	0.314	28%	0.278	S	S	.	.	H	α-helix	trans	-61	-37.6	176.8	0	0	0	0	0	112.5	A443 A444 Q451 Y559	A443-A447 PolarHBondContact O-N 3.28Å; A444-A447 PolarHBondContact O-N 2.87Å; A447-Q451 WeakPolarHBondContact O-CB 3.35Å; A447-Q451 PolarHBondContact O-N 3.3Å; A447-Y559 HydrophobicContact CB-CD1 4.3Å; A447-Y559 HydrophobicContact CB-CE1 4.11Å
448	M	97.7	Very high	95.6	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-59.5	-49.7	173	-171	-159.1	73.1	0	0	111.3	A444 C445 K446 Q451 L452 V521 C554 I556 Y559	A444-M448 PolarHBondContact O-N 3.5Å; C445-M448 WeakPolarHBondContact O-CB 3.34Å; C445-M448 PolarHBondContact O-N 2.93Å; K446-M448 VanDerWaalsContact C-N 3.29Å; K446-M448 PolarHBondContact O-N 3.11Å; M448-Q451 PolarHBondContact O-N 2.96Å; M448-L452 WeakPolarHBondContact O-CB 3.44Å; M448-L452 PolarHBondContact O-N 3Å; M448-V521 HydrophobicContact CE-CB 4.46Å; M448-V521 HydrophobicContact CE-CG1 3.52Å; M448-V521 HydrophobicContact CE-CG2 4.06Å; M448-V521 HydrophobicContact SD-CG1 4.39Å; M448-C554 WeakPolarHBondContact CG-O 3.39Å; M448-C554 HydrophobicContact SD-CB 4.3Å; M448-I556 HydrophobicContact SD-CB 4.02Å; M448-I556 HydrophobicContact SD-CD1 4.28Å; M448-I556 HydrophobicContact SD-CG1 3.81Å; M448-Y559 HydrophobicContact CB-CD1 3.83Å; M448-Y559 HydrophobicContact CB-CD2 3.77Å; M448-Y559 HydrophobicContact CB-CE1 4.31Å; M448-Y559 HydrophobicContact CB-CE2 4.27Å; M448-Y559 HydrophobicContact CB-CG 3.53Å; M448-Y559 HydrophobicContact CG-CD2 3.57Å; M448-Y559 HydrophobicContact CG-CE2 4.08Å; M448-Y559 HydrophobicContact CG-CG 3.84Å
449	M	97.7	Very high	95.7	Very high	23 Å²	23	57.6 Å²	57.6	11%	0.113	33%	0.329	C	S	.	.	H	α-helix	trans	-65	-41.5	-179.9	-67.3	-60.7	-65.6	0	0	111.8	C445 K446 L452 E453 L497 Y509 L511	C445-M449 WeakPolarHBondContact O-CG 3.5Å; C445-M449 PolarHBondContact O-N 2.79Å; C445-M449 VanDerWaalsContact O-N 3.07Å; K446-M449 PolarHBondContact O-N 3.36Å; M449-L452 PolarHBondContact O-N 2.82Å; M449-E453 VanDerWaalsContact O-CB 3.3Å; M449-E453 WeakPolarHBondContact O-CB 3.39Å; M449-E453 PolarHBondContact O-N 3.46Å; M449-L497 HydrophobicContact CE-CB 4.4Å; M449-L497 HydrophobicContact CE-CD1 3.56Å; M449-L497 HydrophobicContact CE-CG 3.72Å; M449-L497 WeakPolarHBondContact O-CD1 2.99Å; M449-L497 HydrophobicContact SD-CD1 4.45Å; M449-Y509 WeakPolarHBondContact CE-O 3.29Å; M449-L511 HydrophobicContact CG-CB 4.44Å
450	E	97.8	Very high	96.2	Very high	100 Å²	100	57.6 Å²	57.6	47%	0.467	34%	0.337	S	S	.	.	H	α-helix	trans	-62.3	-43.6	176.8	-72.9	171	178.2	0	0	111.6	K446 K454	K446-E450 WeakPolarHBondContact CE-OE1 3.18Å; K446-E450 IonicContact NZ-OE1 3.99Å; K446-E450 PolarHBondContact NZ-OE1 3.1Å; K446-E450 WeakPolarHBondContact O-CG 3.35Å; K446-E450 PolarHBondContact O-N 3.07Å; E450-K454 PolarHBondContact O-N 3.32Å
451	Q	98.2	Very high	96.5	Very high	73 Å²	73	57.5 Å²	57.5	34%	0.341	34%	0.335	S	S	.	.	H	α-helix	trans	-67.7	-40.9	176.4	-179.9	54.9	48.3	0	0	111.9	A447 M448 K454 T455	A447-Q451 WeakPolarHBondContact O-CB 3.35Å; A447-Q451 PolarHBondContact O-N 3.3Å; M448-Q451 PolarHBondContact O-N 2.96Å; Q451-K454 PolarHBondContact O-N 2.95Å; Q451-T455 PolarHBondContact NE2-OG1 2.98Å; Q451-T455 PolarHBondContact O-N 3.43Å; Q451-T455 PolarHBondContact O-OG1 3.33Å
452	L	98.5	Very high	96.8	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.016	33%	0.333	C	S	.	.	H	α-helix	trans	-63.6	-44.4	176.3	178.9	59.5	0	0	0	111.3	M448 M449 K454 T455 I456 L497 Y509 L553 C554	M448-L452 WeakPolarHBondContact O-CB 3.44Å; M448-L452 PolarHBondContact O-N 3Å; M449-L452 PolarHBondContact O-N 2.82Å; L452-K454 VanDerWaalsContact C-N 3.34Å; L452-K454 PolarHBondContact O-N 3.2Å; L452-T455 WeakPolarHBondContact O-CB 3.29Å; L452-T455 PolarHBondContact O-N 3.33Å; L452-T455 VanDerWaalsContact O-N 3.13Å; L452-I456 HydrophobicContact CD1-CG2 3.77Å; L452-I456 HydrophobicContact CG-CG2 4.35Å; L452-I456 WeakPolarHBondContact O-CG2 3.42Å; L452-I456 PolarHBondContact O-N 3.05Å; L452-L497 HydrophobicContact CB-CD1 4.01Å; L452-L497 HydrophobicContact CD2-CD1 3.92Å; L452-L497 HydrophobicContact CG-CD1 3.82Å; L452-Y509 HydrophobicContact CD2-CD1 3.72Å; L452-Y509 HydrophobicContact CD2-CD2 3.59Å; L452-Y509 HydrophobicContact CD2-CE1 4.1Å; L452-Y509 HydrophobicContact CD2-CE2 3.97Å; L452-Y509 HydrophobicContact CD2-CG 3.44Å; L452-Y509 VanDerWaalsContact CD2-CG 3.44Å; L452-L553 HydrophobicContact CD1-CB 4.25Å; L452-L553 WeakPolarHBondContact CD1-O 3.23Å; L452-C554 HydrophobicContact CD2-CB 3.95Å
453	E	98.6	Very high	97.2	Very high	58 Å²	58	57.2 Å²	57.2	27%	0.271	34%	0.34	S	S	.	.	H	α-helix	trans	-57.9	-47.5	176.2	-175.7	164.3	-160.4	0	0	111	M449 T455 I456 L457 N480 L497	M449-E453 VanDerWaalsContact O-CB 3.3Å; M449-E453 WeakPolarHBondContact O-CB 3.39Å; M449-E453 PolarHBondContact O-N 3.46Å; E453-T455 VanDerWaalsContact C-N 3.29Å; E453-T455 PolarHBondContact O-N 3.08Å; E453-I456 PolarHBondContact O-N 3.2Å; E453-L457 HydrophobicContact CG-CD1 3.56Å; E453-L457 HydrophobicContact CG-CG 4.13Å; E453-L457 VanDerWaalsContact O-CB 3.3Å; E453-L457 WeakPolarHBondContact O-CB 3.43Å; E453-L457 VanDerWaalsContact O-CG 3.26Å; E453-L457 WeakPolarHBondContact O-CG 3.48Å; E453-L457 PolarHBondContact O-N 2.86Å; E453-N480 WeakPolarHBondContact OE1-CB 3.37Å; E453-N480 PolarHBondContact OE1-ND2 3.38Å; E453-L497 HydrophobicContact CB-CD1 3.86Å; E453-L497 HydrophobicContact CB-CD2 3.76Å; E453-L497 HydrophobicContact CB-CG 4.48Å; E453-L497 HydrophobicContact CG-CD2 3.75Å
454	K	98.4	Very high	97.5	Very high	149 Å²	149	59 Å²	59	65%	0.648	34%	0.335	S	S	*	.	H	α-helix	trans	-56.1	-44.1	174.4	-178.5	-179.1	177	-177.4	0	112.1	E450 Q451 L452 D458	E450-K454 PolarHBondContact O-N 3.32Å; Q451-K454 PolarHBondContact O-N 2.95Å; L452-K454 VanDerWaalsContact C-N 3.34Å; L452-K454 PolarHBondContact O-N 3.2Å; K454-D458 PolarHBondContact O-N 2.8Å
455	T	98.4	Very high	97.6	Very high	45 Å²	45	61.1 Å²	61.1	28%	0.276	35%	0.345	S	S	.	.	H	α-helix	trans	-65.3	-47	-179.7	-61	0	0	0	0	112.1	Q451 L452 E453 F461	Q451-T455 PolarHBondContact NE2-OG1 2.98Å; Q451-T455 PolarHBondContact O-N 3.43Å; Q451-T455 PolarHBondContact O-OG1 3.33Å; L452-T455 WeakPolarHBondContact O-CB 3.29Å; L452-T455 PolarHBondContact O-N 3.33Å; L452-T455 VanDerWaalsContact O-N 3.13Å; E453-T455 VanDerWaalsContact C-N 3.29Å; E453-T455 PolarHBondContact O-N 3.08Å; T455-F461 HydrophobicContact CG2-CD2 4.22Å; T455-F461 HydrophobicContact CG2-CE2 4.1Å; T455-F461 WeakPolarHBondContact O-CD2 3.4Å
456	I	98.4	Very high	97.8	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-78.8	-24.5	-173.4	73.6	169.4	0	0	0	113	L452 E453 F461 A478 L497 V499	L452-I456 HydrophobicContact CD1-CG2 3.77Å; L452-I456 HydrophobicContact CG-CG2 4.35Å; L452-I456 WeakPolarHBondContact O-CG2 3.42Å; L452-I456 PolarHBondContact O-N 3.05Å; E453-I456 PolarHBondContact O-N 3.2Å; I456-F461 HydrophobicContact CB-CD1 4.07Å; I456-F461 HydrophobicContact CB-CE1 3.91Å; I456-F461 HydrophobicContact CB-CZ 4.28Å; I456-F461 HydrophobicContact CG2-CD1 4.47Å; I456-F461 HydrophobicContact CG2-CE1 3.87Å; I456-F461 HydrophobicContact CG2-CE2 4.27Å; I456-F461 HydrophobicContact CG2-CZ 3.78Å; I456-F461 WeakPolarHBondContact O-CD1 3.47Å; I456-A478 HydrophobicContact CB-CB 3.94Å; I456-A478 HydrophobicContact CD1-CB 4.42Å; I456-A478 HydrophobicContact CG1-CB 4.37Å; I456-A478 VanDerWaalsContact O-CB 3.27Å; I456-A478 WeakPolarHBondContact O-CB 3.09Å; I456-L497 HydrophobicContact CD1-CB 3.77Å; I456-L497 HydrophobicContact CD1-CD2 4.25Å; I456-L497 HydrophobicContact CD1-CG 4.41Å; I456-V499 HydrophobicContact CB-CG2 4.3Å; I456-V499 HydrophobicContact CD1-CG2 4.38Å; I456-V499 HydrophobicContact CG2-CG2 3.83Å
457	L	97.9	Very high	97.9	Very high	90 Å²	90	61.6 Å²	61.6	47%	0.471	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.9	177.5	-62.1	-174.4	0	0	0	113.2	E453	E453-L457 HydrophobicContact CG-CD1 3.56Å; E453-L457 HydrophobicContact CG-CG 4.13Å; E453-L457 VanDerWaalsContact O-CB 3.3Å; E453-L457 WeakPolarHBondContact O-CB 3.43Å; E453-L457 VanDerWaalsContact O-CG 3.26Å; E453-L457 WeakPolarHBondContact O-CG 3.48Å; E453-L457 PolarHBondContact O-N 2.86Å
458	D	98.2	Very high	97.9	Very high	82 Å²	82	62.9 Å²	62.9	44%	0.439	35%	0.354	S	S	.	.	S	Bend	trans	-63.4	137.9	171.5	-174.1	-90	0	0	0	110.8	K454 S460 F461	K454-D458 PolarHBondContact O-N 2.8Å; D458-S460 PolarHBondContact O-N 3Å; D458-S460 VanDerWaalsContact O-N 3.13Å; D458-S460 VanDerWaalsContact OD1-CB 3.25Å; D458-S460 WeakPolarHBondContact OD1-CB 3.3Å; D458-S460 PolarHBondContact OD1-N 3.42Å; D458-S460 PolarHBondContact OD1-OG 3.48Å; D458-F461 WeakPolarHBondContact O-CB 3.21Å; D458-F461 PolarHBondContact O-N 3.43Å
459	A	95.4	Very high	97.8	Very high	101 Å²	101	66 Å²	66	84%	0.835	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.3	-175.8	0	0	0	0	0	113.3	F461	A459-F461 VanDerWaalsContact C-N 3.3Å
460	S	96.9	Very high	97.6	Very high	90 Å²	90	68.7 Å²	68.7	63%	0.629	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-6.5	177.3	73.6	0	0	0	0	113.9	D458	D458-S460 PolarHBondContact O-N 3Å; D458-S460 VanDerWaalsContact O-N 3.13Å; D458-S460 VanDerWaalsContact OD1-CB 3.25Å; D458-S460 WeakPolarHBondContact OD1-CB 3.3Å; D458-S460 PolarHBondContact OD1-N 3.42Å; D458-S460 PolarHBondContact OD1-OG 3.48Å
461	F	98.5	Very high	97.4	Very high	5 Å²	5	66.7 Å²	66.7	2%	0.022	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-40.8	-175.6	-167.6	-101.5	0	0	0	112.5	T455 I456 D458 A459 G463 K464 F466 V475 A478 V499 L553	T455-F461 HydrophobicContact CG2-CD2 4.22Å; T455-F461 HydrophobicContact CG2-CE2 4.1Å; T455-F461 WeakPolarHBondContact O-CD2 3.4Å; I456-F461 HydrophobicContact CB-CD1 4.07Å; I456-F461 HydrophobicContact CB-CE1 3.91Å; I456-F461 HydrophobicContact CB-CZ 4.28Å; I456-F461 HydrophobicContact CG2-CD1 4.47Å; I456-F461 HydrophobicContact CG2-CE1 3.87Å; I456-F461 HydrophobicContact CG2-CE2 4.27Å; I456-F461 HydrophobicContact CG2-CZ 3.78Å; I456-F461 WeakPolarHBondContact O-CD1 3.47Å; D458-F461 WeakPolarHBondContact O-CB 3.21Å; D458-F461 PolarHBondContact O-N 3.43Å; A459-F461 VanDerWaalsContact C-N 3.3Å; F461-G463 PolarHBondContact O-N 3.34Å; F461-K464 WeakPolarHBondContact O-CB 3.35Å; F461-K464 PolarHBondContact O-N 3.23Å; F461-K464 VanDerWaalsContact O-N 3.14Å; F461-F466 HydrophobicContact CE2-CE2 4.2Å; F461-F466 AromaticContact CE2-CZ 3.75Å; F461-F466 HydrophobicContact CE2-CZ 3.75Å; F461-F466 HydrophobicContact CZ-CE2 4.12Å; F461-F466 HydrophobicContact CZ-CZ 4.06Å; F461-V475 HydrophobicContact CD1-CG1 3.89Å; F461-V475 HydrophobicContact CD1-CG2 4.27Å; F461-V475 HydrophobicContact CE1-CB 4.45Å; F461-V475 HydrophobicContact CE1-CG1 3.91Å; F461-V475 HydrophobicContact CE1-CG2 3.8Å; F461-V475 HydrophobicContact CZ-CG2 4.18Å; F461-A478 HydrophobicContact CD1-CB 3.8Å; F461-A478 HydrophobicContact CE1-CB 3.99Å; F461-V499 HydrophobicContact CE1-CG1 3.87Å; F461-V499 HydrophobicContact CE1-CG2 3.93Å; F461-V499 HydrophobicContact CZ-CG1 4.41Å; F461-V499 HydrophobicContact CZ-CG2 4.3Å; F461-L553 HydrophobicContact CE2-CD2 3.81Å; F461-L553 HydrophobicContact CZ-CD1 4.32Å; F461-L553 HydrophobicContact CZ-CD2 3.9Å
462	V	98.3	Very high	97.4	Very high	81 Å²	81	66 Å²	66	49%	0.491	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	131.7	174.6	177.6	0	0	0	0	109.4	K464 V475 A476	V462-K464 VanDerWaalsContact C-N 3.31Å; V462-V475 HydrophobicContact CG2-CG1 4.4Å; V462-A476 WeakPolarHBondContact CG1-O 3.29Å
463	G	98.2	Very high	97.4	Very high	49 Å²	49	65.9 Å²	65.9	51%	0.505	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-13.3	-172.5	0	0	0	0	0	114.4	F461 V475	F461-G463 PolarHBondContact O-N 3.34Å; G463-V475 PolarHBondContact N-O 2.83Å
464	K	98.1	Very high	97.4	Very high	108 Å²	108	65.1 Å²	65.1	47%	0.47	40%	0.403	S	S	.	.			trans	-63.3	139	172.5	-171.1	170.4	177.8	176.3	0	110.2	F461 V462 F466 T474 V475	F461-K464 WeakPolarHBondContact O-CB 3.35Å; F461-K464 PolarHBondContact O-N 3.23Å; F461-K464 VanDerWaalsContact O-N 3.14Å; V462-K464 VanDerWaalsContact C-N 3.31Å; K464-F466 HydrophobicContact CB-CE2 4.35Å; K464-F466 HydrophobicContact CD-CE1 4.23Å; K464-F466 HydrophobicContact CD-CE2 4.19Å; K464-F466 HydrophobicContact CD-CZ 3.68Å; K464-F466 HydrophobicContact CG-CE2 4.07Å; K464-F466 HydrophobicContact CG-CZ 4.05Å; K464-T474 WeakPolarHBondContact O-CA 3.48Å; K464-V475 PolarHBondContact O-N 2.99Å
465	T	98.4	Very high	97.4	Very high	67 Å²	67	58.1 Å²	58.1	41%	0.411	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.1	177.8	-61.5	0	0	0	0	110.4	A472 F473 T474	T465-A472 HydrophobicContact CG2-CB 3.9Å; T465-F473 WeakPolarHBondContact CA-O 3.44Å; T465-T474 PolarHBondContact OG1-OG1 2.74Å
466	F	98.1	Very high	97.4	Very high	34 Å²	34	58.4 Å²	58.4	15%	0.149	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	130	174	-59.8	-91.5	0	0	0	109.3	F461 K464 A472 F473 V475 F501 V549 L553	F461-F466 HydrophobicContact CE2-CE2 4.2Å; F461-F466 AromaticContact CE2-CZ 3.75Å; F461-F466 HydrophobicContact CE2-CZ 3.75Å; F461-F466 HydrophobicContact CZ-CE2 4.12Å; F461-F466 HydrophobicContact CZ-CZ 4.06Å; K464-F466 HydrophobicContact CB-CE2 4.35Å; K464-F466 HydrophobicContact CD-CE1 4.23Å; K464-F466 HydrophobicContact CD-CE2 4.19Å; K464-F466 HydrophobicContact CD-CZ 3.68Å; K464-F466 HydrophobicContact CG-CE2 4.07Å; K464-F466 HydrophobicContact CG-CZ 4.05Å; F466-A472 CarbonylContact O-C 3.57Å; F466-A472 WeakPolarHBondContact O-CA 3.45Å; F466-F473 PolarHBondContact N-O 2.86Å; F466-F473 PolarHBondContact O-N 2.85Å; F466-V475 HydrophobicContact CD2-CG2 4.25Å; F466-V475 HydrophobicContact CE2-CG2 3.75Å; F466-F501 HydrophobicContact CD2-CE1 4.25Å; F466-V549 HydrophobicContact CB-CG1 3.91Å; F466-V549 HydrophobicContact CB-CG2 3.7Å; F466-V549 HydrophobicContact CD1-CG1 4.29Å; F466-V549 HydrophobicContact CD2-CG1 4.24Å; F466-V549 HydrophobicContact CG-CG1 3.89Å; F466-L553 HydrophobicContact CE1-CD2 3.83Å; F466-L553 HydrophobicContact CE1-CG 4.44Å; F466-L553 HydrophobicContact CZ-CD2 3.68Å; F466-L553 HydrophobicContact CZ-CG 4.47Å
467	T	97.6	Very high	97.4	Very high	95 Å²	95	62.9 Å²	62.9	58%	0.583	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.8	177.3	-56.5	0	0	0	0	109.8	R471	T467-R471 WeakPolarHBondContact CA-O 3.44Å
468	K	97.7	Very high	97.4	Very high	65 Å²	65	59.4 Å²	59.4	28%	0.283	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	140.1	-179.3	-74.8	-62	-173	171.1	0	109.7	G470 R471 P545 E548 V549 D552	K468-G470 PolarHBondContact O-N 3.34Å; K468-R471 PolarHBondContact N-O 2.96Å; K468-R471 PolarHBondContact O-N 3.33Å; K468-P545 HydrophobicContact CB-CB 4.49Å; K468-P545 VanDerWaalsContact CB-O 3.3Å; K468-P545 WeakPolarHBondContact CB-O 3.37Å; K468-P545 WeakPolarHBondContact O-CB 3.45Å; K468-E548 HydrophobicContact CB-CB 3.98Å; K468-E548 WeakPolarHBondContact CB-OE2 3.43Å; K468-E548 HydrophobicContact CD-CB 3.98Å; K468-E548 HydrophobicContact CG-CB 3.85Å; K468-V549 HydrophobicContact CB-CG2 4.03Å; K468-V549 HydrophobicContact CG-CG2 3.56Å; K468-D552 WeakPolarHBondContact CE-OD2 3.4Å; K468-D552 IonicContact NZ-OD2 3.57Å; K468-D552 PolarHBondContact NZ-OD2 3.45Å
469	S	95.1	Very high	97.4	Very high	65 Å²	65	56.8 Å²	56.8	46%	0.455	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.1	40.9	179.5	-70.5	0	0	0	0	113.9	R471 E548	S469-R471 VanDerWaalsContact C-N 3.35Å; S469-R471 PolarHBondContact O-N 2.74Å; S469-E548 PolarHBondContact N-OE2 3.25Å; S469-E548 VanDerWaalsContact OG-CD 3.3Å; S469-E548 PolarHBondContact OG-OE1 3.01Å; S469-E548 PolarHBondContact OG-OE2 3.45Å
470	G	92.5	Very high	97.6	Very high	81 Å²	81	53.3 Å²	53.3	84%	0.835	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-1.8	178.6	0	0	0	0	0	117	K468	K468-G470 PolarHBondContact O-N 3.34Å
471	R	95.2	Very high	97.6	Very high	58 Å²	58	49.6 Å²	49.6	22%	0.219	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.1	177.9	-172.5	169.6	174.3	177.7	3.6	110.9	T467 K468 S469 F473 D503 S527 Y528 P545	T467-R471 WeakPolarHBondContact CA-O 3.44Å; K468-R471 PolarHBondContact N-O 2.96Å; K468-R471 PolarHBondContact O-N 3.33Å; S469-R471 VanDerWaalsContact C-N 3.35Å; S469-R471 PolarHBondContact O-N 2.74Å; R471-F473 HydrophobicContact CB-CE2 4.11Å; R471-F473 HydrophobicContact CB-CZ 4.23Å; R471-F473 VanDerWaalsContact CD-CZ 3.44Å; R471-F473 HydrophobicContact CG-CE1 4.11Å; R471-F473 HydrophobicContact CG-CE2 3.92Å; R471-F473 HydrophobicContact CG-CZ 3.67Å; R471-D503 IonicContact CZ-OD2 2.68Å; R471-D503 IonicContact NE-OD2 3.47Å; R471-D503 IonicContact NH2-OD2 3.48Å; R471-D503 PolarHBondContact NH2-OD2 3.43Å; R471-S527 PolarHBondContact NH1-OG 2.92Å; R471-S527 VanDerWaalsContact NH1-OG 3.16Å; R471-S527 PolarHBondContact NH2-OG 2.8Å; R471-S527 VanDerWaalsContact NH2-OG 3.16Å; R471-Y528 PolarHBondContact NH2-O 3.37Å; R471-P545 HydrophobicContact CB-CB 3.93Å; R471-P545 HydrophobicContact CB-CG 4.14Å
472	A	97.5	Very high	97.5	Very high	57 Å²	57	52 Å²	52	47%	0.471	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	137.9	177.5	0	0	0	0	0	110.9	T465 F466	T465-A472 HydrophobicContact CG2-CB 3.9Å; F466-A472 CarbonylContact O-C 3.57Å; F466-A472 WeakPolarHBondContact O-CA 3.45Å
473	F	98.3	Very high	97.4	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	111.8	178.8	-58.7	-84.1	0	0	0	109.7	T465 F466 R471 F501 P545 L546 V549	T465-F473 WeakPolarHBondContact CA-O 3.44Å; F466-F473 PolarHBondContact N-O 2.86Å; F466-F473 PolarHBondContact O-N 2.85Å; R471-F473 HydrophobicContact CB-CE2 4.11Å; R471-F473 HydrophobicContact CB-CZ 4.23Å; R471-F473 VanDerWaalsContact CD-CZ 3.44Å; R471-F473 HydrophobicContact CG-CE1 4.11Å; R471-F473 HydrophobicContact CG-CE2 3.92Å; R471-F473 HydrophobicContact CG-CZ 3.67Å; F473-F501 HydrophobicContact CB-CD1 3.45Å; F473-F501 VanDerWaalsContact CB-CD1 3.45Å; F473-F501 HydrophobicContact CB-CE1 3.6Å; F473-F501 HydrophobicContact CB-CG 3.99Å; F473-F501 HydrophobicContact CB-CZ 4.28Å; F473-P545 HydrophobicContact CE2-CB 3.68Å; F473-P545 HydrophobicContact CZ-CB 3.93Å; F473-L546 HydrophobicContact CD1-CD1 3.92Å; F473-L546 HydrophobicContact CD2-CD1 4.26Å; F473-L546 HydrophobicContact CE1-CB 4.15Å; F473-L546 HydrophobicContact CE1-CD1 3.9Å; F473-L546 HydrophobicContact CE1-CD2 4.41Å; F473-L546 HydrophobicContact CE1-CG 4.36Å; F473-L546 HydrophobicContact CE2-CB 4.17Å; F473-L546 HydrophobicContact CE2-CD1 4.23Å; F473-L546 HydrophobicContact CG-CD1 4.09Å; F473-L546 HydrophobicContact CZ-CB 3.69Å; F473-L546 HydrophobicContact CZ-CD1 4.04Å; F473-L546 HydrophobicContact CZ-CG 4.34Å; F473-V549 HydrophobicContact CD2-CG2 4.01Å; F473-V549 HydrophobicContact CE2-CG2 4.42Å
474	T	98.7	Very high	97.3	Very high	43 Å²	43	50.4 Å²	50.4	26%	0.264	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.6	178.4	-54.5	0	0	0	0	110.2	K464 T465 A476 F501 T502	K464-T474 WeakPolarHBondContact O-CA 3.48Å; T465-T474 PolarHBondContact OG1-OG1 2.74Å; T474-A476 PolarHBondContact O-N 2.72Å; T474-F501 CarbonylContact O-C 3.55Å; T474-F501 VanDerWaalsContact O-CA 3.25Å; T474-F501 WeakPolarHBondContact O-CA 3.44Å; T474-F501 WeakPolarHBondContact O-CD1 3.37Å; T474-T502 HydrophobicContact CG2-CG2 4.38Å; T474-T502 PolarHBondContact O-N 3.47Å
475	V	98.8	Very high	97.2	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	119.5	-178.5	179.2	0	0	0	0	109.9	F461 V462 G463 K464 F466 V499 F501	F461-V475 HydrophobicContact CD1-CG1 3.89Å; F461-V475 HydrophobicContact CD1-CG2 4.27Å; F461-V475 HydrophobicContact CE1-CB 4.45Å; F461-V475 HydrophobicContact CE1-CG1 3.91Å; F461-V475 HydrophobicContact CE1-CG2 3.8Å; F461-V475 HydrophobicContact CZ-CG2 4.18Å; V462-V475 HydrophobicContact CG2-CG1 4.4Å; G463-V475 PolarHBondContact N-O 2.83Å; K464-V475 PolarHBondContact O-N 2.99Å; F466-V475 HydrophobicContact CD2-CG2 4.25Å; F466-V475 HydrophobicContact CE2-CG2 3.75Å; V475-V499 HydrophobicContact CG1-CG1 3.96Å; V475-V499 HydrophobicContact CG2-CG1 3.91Å; V475-F501 HydrophobicContact CG2-CD1 4.14Å; V475-F501 HydrophobicContact CG2-CE1 3.73Å
476	A	98.5	Very high	97.1	Very high	50 Å²	50	44.3 Å²	44.3	41%	0.413	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-36.3	174.1	0	0	0	0	0	111.9	V462 T474 C500 T502	V462-A476 WeakPolarHBondContact CG1-O 3.29Å; T474-A476 PolarHBondContact O-N 2.72Å; A476-C500 PolarHBondContact N-O 3.2Å; A476-T502 HydrophobicContact CB-CG2 3.88Å
477	K	98.1	Very high	97	Very high	97 Å²	97	45.4 Å²	45.4	42%	0.422	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	145.5	-178.5	-178.9	-177.8	175.6	-164.5	0	109.8	D479 C500	K477-D479 WeakPolarHBondContact CE-OD2 3.46Å; K477-D479 IonicContact NZ-OD2 3.19Å; K477-D479 PolarHBondContact NZ-OD2 2.96Å; K477-C500 HydrophobicContact CB-CB 4.26Å; K477-C500 PolarHBondContact N-O 3.45Å; K477-C500 VanDerWaalsContact N-O 3.11Å; K477-C500 PolarHBondContact O-N 3.38Å
478	A	98.6	Very high	96.8	Very high	17 Å²	17	44.8 Å²	44.8	14%	0.14	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.3	164.5	0	0	0	0	0	110.1	I456 F461 R498 V499	I456-A478 HydrophobicContact CB-CB 3.94Å; I456-A478 HydrophobicContact CD1-CB 4.42Å; I456-A478 HydrophobicContact CG1-CB 4.37Å; I456-A478 VanDerWaalsContact O-CB 3.27Å; I456-A478 WeakPolarHBondContact O-CB 3.09Å; F461-A478 HydrophobicContact CD1-CB 3.8Å; F461-A478 HydrophobicContact CE1-CB 3.99Å; A478-R498 CarbonylContact C-O 3.55Å; A478-R498 VanDerWaalsContact CA-O 3.22Å; A478-R498 WeakPolarHBondContact CA-O 3.26Å; A478-V499 HydrophobicContact CB-CG2 4.31Å
479	D	98.2	Very high	96.6	Very high	26 Å²	26	48.1 Å²	48.1	14%	0.139	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	159.8	-179.6	57	-1.2	0	0	0	112.3	K477 R498	K477-D479 WeakPolarHBondContact CE-OD2 3.46Å; K477-D479 IonicContact NZ-OD2 3.19Å; K477-D479 PolarHBondContact NZ-OD2 2.96Å; D479-R498 PolarHBondContact N-O 2.73Å; D479-R498 PolarHBondContact O-N 3.23Å; D479-R498 WeakPolarHBondContact OD1-CB 3.33Å; D479-R498 IonicContact OD1-CZ 3.14Å; D479-R498 IonicContact OD1-NE 2.97Å; D479-R498 PolarHBondContact OD1-NE 3.15Å; D479-R498 IonicContact OD1-NH2 3.63Å; D479-R498 PolarHBondContact OD1-NH2 3.46Å; D479-R498 IonicContact OD2-CZ 3.02Å; D479-R498 IonicContact OD2-NE 2.76Å; D479-R498 IonicContact OD2-NH2 3.29Å; D479-R498 PolarHBondContact OD2-NH2 3.05Å
480	N	97.7	Very high	96.5	Very high	29 Å²	29	47.5 Å²	47.5	16%	0.155	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	110.8	153.2	-167.5	-11.8	0	0	0	107.1	E453 S482 N494 G496 L497	E453-N480 WeakPolarHBondContact OE1-CB 3.37Å; E453-N480 PolarHBondContact OE1-ND2 3.38Å; N480-S482 PolarHBondContact O-N 3.36Å; N480-N494 VanDerWaalsContact OD1-CA 3.25Å; N480-N494 WeakPolarHBondContact OD1-CA 3.05Å; N480-G496 PolarHBondContact OD1-N 3.19Å; N480-G496 PolarHBondContact OD1-O 3.36Å; N480-L497 HydrophobicContact CB-CD2 3.77Å
481	F	97.4	Very high	96.5	Very high	11 Å²	11	47 Å²	47	5%	0.048	27%	0.271	C	S	.	.			trans	-56.9	128.2	-167.6	-174.6	-111.3	0	0	0	111.2	M342 E361 P363 N494 Q495 G496	M342-F481 HydrophobicContact CB-CD1 3.86Å; M342-F481 HydrophobicContact CB-CE1 3.75Å; M342-F481 HydrophobicContact CB-CE2 4.44Å; M342-F481 HydrophobicContact CB-CG 4.29Å; M342-F481 HydrophobicContact CB-CZ 4.06Å; M342-F481 HydrophobicContact CE-CB 3.88Å; M342-F481 HydrophobicContact CE-CD1 4.31Å; M342-F481 HydrophobicContact CE-CG 4.22Å; M342-F481 HydrophobicContact CG-CB 4.27Å; M342-F481 HydrophobicContact CG-CD1 3.79Å; M342-F481 HydrophobicContact CG-CD2 3.81Å; M342-F481 HydrophobicContact CG-CE1 4.03Å; M342-F481 HydrophobicContact CG-CE2 4.02Å; M342-F481 HydrophobicContact CG-CG 3.7Å; M342-F481 HydrophobicContact CG-CZ 4.14Å; E361-F481 HydrophobicContact CG-CE2 4.4Å; E361-F481 HydrophobicContact CG-CZ 4.1Å; E361-F481 WeakPolarHBondContact OE2-CE2 3.27Å; P363-F481 HydrophobicContact CG-CE1 4.17Å; F481-N494 PolarHBondContact O-N 3.15Å; F481-Q495 HydrophobicContact CB-CB 4.35Å; F481-Q495 HydrophobicContact CD1-CB 3.84Å; F481-Q495 HydrophobicContact CD1-CG 4.48Å; F481-Q495 WeakPolarHBondContact O-CB 3.27Å; F481-Q495 PolarHBondContact O-N 2.95Å; F481-G496 WeakPolarHBondContact CB-O 3.39Å; F481-G496 PolarHBondContact N-O 3Å
482	S	96.5	Very high	96.4	Very high	55 Å²	55	44.5 Å²	44.5	39%	0.385	26%	0.262	S	S	.	.			trans	-123.6	137	171.6	-175.9	0	0	0	0	108	N480 S492	N480-S482 PolarHBondContact O-N 3.36Å; S482-S492 WeakPolarHBondContact CA-O 3.19Å
483	Y	96.2	Very high	96.2	Very high	15 Å²	15	48.6 Å²	48.6	6%	0.059	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.9	178.1	171.4	-106.6	0	0	0	109.2	V362 P363 F368 D485 P486 V491 S492	V362-Y483 HydrophobicContact CB-CE2 4.19Å; V362-Y483 HydrophobicContact CG1-CD2 4.5Å; V362-Y483 HydrophobicContact CG1-CE2 3.72Å; P363-Y483 VanDerWaalsContact CD-CG 3.43Å; P363-Y483 VanDerWaalsContact CG-CB 3.47Å; P363-Y483 HydrophobicContact CG-CD1 3.95Å; P363-Y483 HydrophobicContact CG-CG 3.86Å; F368-Y483 AromaticContact CD1-CD1 3.98Å; F368-Y483 HydrophobicContact CD1-CD1 3.98Å; F368-Y483 AromaticContact CD1-CE1 3.73Å; F368-Y483 HydrophobicContact CD1-CE1 3.73Å; F368-Y483 HydrophobicContact CE1-CD1 4.21Å; F368-Y483 HydrophobicContact CE1-CE1 4.37Å; F368-Y483 HydrophobicContact CG-CE1 4.44Å; Y483-D485 HydrophobicContact CD1-CB 4.43Å; Y483-D485 HydrophobicContact CE1-CB 3.6Å; Y483-D485 WeakPolarHBondContact CE1-OD2 3.36Å; Y483-D485 PolarHBondContact OH-OD2 3Å; Y483-P486 WeakPolarHBondContact OH-CD 3.37Å; Y483-V491 CarbonylContact O-C 3.56Å; Y483-V491 WeakPolarHBondContact O-CA 3.41Å; Y483-S492 PolarHBondContact N-O 2.85Å; Y483-S492 PolarHBondContact O-N 3.12Å
484	T	97	Very high	95.9	Very high	83 Å²	83	54.2 Å²	54.2	51%	0.509	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118	167.1	-58.9	0	0	0	0	106.9	S490 V491	T484-S490 CarbonylContact C-O 3.53Å; T484-S490 WeakPolarHBondContact CA-O 3.46Å; T484-V491 HydrophobicContact CG2-CG2 4.19Å
485	D	95.6	Very high	95.7	Very high	2 Å²	2	54 Å²	54	1%	0.011	30%	0.296	C	S	.	.			trans	-67.2	130.1	-178.4	-166.9	-73.6	0	0	0	110.7	N371 Y483 I487 D488 H489 S490	N371-D485 PolarHBondContact ND2-OD1 3.34Å; N371-D485 PolarHBondContact ND2-OD2 3.06Å; Y483-D485 HydrophobicContact CD1-CB 4.43Å; Y483-D485 HydrophobicContact CE1-CB 3.6Å; Y483-D485 WeakPolarHBondContact CE1-OD2 3.36Å; Y483-D485 PolarHBondContact OH-OD2 3Å; D485-I487 PolarHBondContact O-N 3.14Å; D485-I487 WeakPolarHBondContact OD1-CA 3.41Å; D485-I487 VanDerWaalsContact OD1-CB 3.23Å; D485-I487 WeakPolarHBondContact OD1-CB 3.43Å; D485-I487 WeakPolarHBondContact OD1-CG1 3.07Å; D485-I487 PolarHBondContact OD1-N 3.07Å; D485-D488 WeakPolarHBondContact CB-OD1 3.3Å; D485-D488 PolarHBondContact OD1-N 3.47Å; D485-H489 WeakPolarHBondContact O-CA 3.4Å; D485-H489 PolarHBondContact O-N 3.46Å; D485-S490 PolarHBondContact N-O 3.34Å
486	P	96.7	Very high	95.6	Very high	44 Å²	44	54.3 Å²	54.3	29%	0.286	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-8.5	-176.1	32.7	-36.1	0	0	0	113.2	F360 L372 Y483	F360-P486 HydrophobicContact CD1-CG 4.14Å; F360-P486 HydrophobicContact CE1-CB 4.44Å; F360-P486 HydrophobicContact CE1-CG 3.75Å; L372-P486 HydrophobicContact CD2-CG 3.63Å; Y483-P486 WeakPolarHBondContact OH-CD 3.37Å
487	I	95.5	Very high	95.6	Very high	57 Å²	57	52 Å²	52	29%	0.292	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-51.9	-177.5	-49.4	-49.8	0	0	0	110.7	L372 A375 D485	L372-I487 HydrophobicContact CD2-CD1 4.25Å; L372-I487 HydrophobicContact CD2-CG1 4.11Å; A375-I487 HydrophobicContact CB-CB 4.44Å; A375-I487 HydrophobicContact CB-CD1 3.34Å; A375-I487 HydrophobicContact CB-CG1 3.7Å; A375-I487 HydrophobicContact CB-CG2 3.86Å; D485-I487 PolarHBondContact O-N 3.14Å; D485-I487 WeakPolarHBondContact OD1-CA 3.41Å; D485-I487 VanDerWaalsContact OD1-CB 3.23Å; D485-I487 WeakPolarHBondContact OD1-CB 3.43Å; D485-I487 WeakPolarHBondContact OD1-CG1 3.07Å; D485-I487 PolarHBondContact OD1-N 3.07Å
488	D	92.9	Very high	95.6	Very high	82 Å²	82	48.1 Å²	48.1	44%	0.439	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-2.1	-174.4	65.7	28.4	0	0	0	114.3	N371 D485 S490	N371-D488 PolarHBondContact ND2-OD2 3Å; D485-D488 WeakPolarHBondContact CB-OD1 3.3Å; D485-D488 PolarHBondContact OD1-N 3.47Å; D488-S490 PolarHBondContact O-N 2.87Å; D488-S490 VanDerWaalsContact O-N 3.11Å; D488-S490 WeakPolarHBondContact OD1-CB 3.42Å; D488-S490 PolarHBondContact OD1-N 2.99Å; D488-S490 PolarHBondContact OD1-OG 3.4Å
489	H	94.4	Very high	95.6	Very high	136 Å²	136	47.3 Å²	47.3	63%	0.63	26%	0.255	S	S	*	.			trans	61.1	14.3	179.3	-50.1	-53.1	0	0	0	115	D485	D485-H489 WeakPolarHBondContact O-CA 3.4Å; D485-H489 PolarHBondContact O-N 3.46Å
490	S	91.8	Very high	95.6	Very high	52 Å²	52	47.1 Å²	47.1	36%	0.364	26%	0.256	S	S	.	.			trans	-63.3	150	169.5	65.3	0	0	0	0	110.7	T484 D485 D488	T484-S490 CarbonylContact C-O 3.53Å; T484-S490 WeakPolarHBondContact CA-O 3.46Å; D485-S490 PolarHBondContact N-O 3.34Å; D488-S490 PolarHBondContact O-N 2.87Å; D488-S490 VanDerWaalsContact O-N 3.11Å; D488-S490 WeakPolarHBondContact OD1-CB 3.42Å; D488-S490 PolarHBondContact OD1-N 2.99Å; D488-S490 PolarHBondContact OD1-OG 3.4Å
491	V	93.7	Very high	95.7	Very high	71 Å²	71	46.1 Å²	46.1	43%	0.43	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.4	-175.7	-175.2	0	0	0	0	110.2	Y483 T484 K493	Y483-V491 CarbonylContact O-C 3.56Å; Y483-V491 WeakPolarHBondContact O-CA 3.41Å; T484-V491 HydrophobicContact CG2-CG2 4.19Å; V491-K493 HydrophobicContact CG1-CG 3.91Å
492	S	91.7	Very high	95.7	Very high	5 Å²	5	50 Å²	50	4%	0.035	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	109.9	172.2	-58.8	0	0	0	0	109.6	E145 F368 S482 Y483	E145-S492 PolarHBondContact OE2-OG 3.42Å; F368-S492 WeakPolarHBondContact CE1-OG 3.41Å; S482-S492 WeakPolarHBondContact CA-O 3.19Å; Y483-S492 PolarHBondContact N-O 2.85Å; Y483-S492 PolarHBondContact O-N 3.12Å
493	K	93.5	Very high	95.7	Very high	142 Å²	142	49.5 Å²	49.5	62%	0.617	27%	0.268	S	S	*	.			trans	-94.9	168.1	-179.5	-60	-175.7	179.8	179.6	0	111.6	V491 Q495	V491-K493 HydrophobicContact CG1-CG 3.91Å; K493-Q495 VanDerWaalsContact C-N 3.34Å; K493-Q495 PolarHBondContact O-N 3.47Å; K493-Q495 PolarHBondContact O-NE2 2.88Å
494	N	93.2	Very high	95.6	Very high	120 Å²	120	53.2 Å²	53.2	64%	0.642	29%	0.289	S	S	*	.			trans	59.7	38.2	169.1	-52.1	-21.9	0	0	0	114.3	N480 F481	N480-N494 VanDerWaalsContact OD1-CA 3.25Å; N480-N494 WeakPolarHBondContact OD1-CA 3.05Å; F481-N494 PolarHBondContact O-N 3.15Å
495	Q	93.9	Very high	95.7	Very high	39 Å²	39	49.3 Å²	49.3	18%	0.182	27%	0.265	C	S	.	.			trans	-85.6	-9.3	-170.4	-64.2	-61.4	-53.1	0	0	113.8	P363 F481 K493 R510	P363-Q495 HydrophobicContact CB-CB 4.15Å; P363-Q495 HydrophobicContact CB-CG 3.81Å; P363-Q495 VanDerWaalsContact CB-OE1 3.28Å; P363-Q495 HydrophobicContact CG-CG 3.89Å; F481-Q495 HydrophobicContact CB-CB 4.35Å; F481-Q495 HydrophobicContact CD1-CB 3.84Å; F481-Q495 HydrophobicContact CD1-CG 4.48Å; F481-Q495 WeakPolarHBondContact O-CB 3.27Å; F481-Q495 PolarHBondContact O-N 2.95Å; K493-Q495 VanDerWaalsContact C-N 3.34Å; K493-Q495 PolarHBondContact O-N 3.47Å; K493-Q495 PolarHBondContact O-NE2 2.88Å; Q495-R510 PolarHBondContact O-NE 3.44Å
496	G	96.1	Very high	95.8	Very high	7 Å²	7	50.2 Å²	50.2	7%	0.072	27%	0.268	C	S	.	.			trans	152.6	148	177.4	0	0	0	0	0	111.9	N480 F481	N480-G496 PolarHBondContact OD1-N 3.19Å; N480-G496 PolarHBondContact OD1-O 3.36Å; F481-G496 WeakPolarHBondContact CB-O 3.39Å; F481-G496 PolarHBondContact N-O 3Å
497	L	98.6	Very high	95.9	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	131.3	178.1	-56.4	-178.7	0	0	0	109.1	M449 L452 E453 I456 N480 V508 Y509	M449-L497 HydrophobicContact CE-CB 4.4Å; M449-L497 HydrophobicContact CE-CD1 3.56Å; M449-L497 HydrophobicContact CE-CG 3.72Å; M449-L497 WeakPolarHBondContact O-CD1 2.99Å; M449-L497 HydrophobicContact SD-CD1 4.45Å; L452-L497 HydrophobicContact CB-CD1 4.01Å; L452-L497 HydrophobicContact CD2-CD1 3.92Å; L452-L497 HydrophobicContact CG-CD1 3.82Å; E453-L497 HydrophobicContact CB-CD1 3.86Å; E453-L497 HydrophobicContact CB-CD2 3.76Å; E453-L497 HydrophobicContact CB-CG 4.48Å; E453-L497 HydrophobicContact CG-CD2 3.75Å; I456-L497 HydrophobicContact CD1-CB 3.77Å; I456-L497 HydrophobicContact CD1-CD2 4.25Å; I456-L497 HydrophobicContact CD1-CG 4.41Å; N480-L497 HydrophobicContact CB-CD2 3.77Å; L497-V508 CarbonylContact O-C 3.58Å; L497-V508 VanDerWaalsContact O-CA 3.27Å; L497-V508 WeakPolarHBondContact O-CA 3.34Å; L497-Y509 HydrophobicContact CB-CD2 4.49Å; L497-Y509 PolarHBondContact N-O 3.08Å; L497-Y509 PolarHBondContact O-N 3.23Å
498	R	98.3	Very high	96	Very high	14 Å²	14	45.6 Å²	45.6	5%	0.053	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	136.5	-177.2	175.1	179.1	65.7	175.9	-1	111	M342 E361 A478 D479 L507 V508	M342-R498 HydrophobicContact SD-CB 4.39Å; E361-R498 VanDerWaalsContact CD-NH1 3.27Å; E361-R498 IonicContact OE1-NH1 2.73Å; E361-R498 PolarHBondContact OE1-NH1 2.97Å; E361-R498 IonicContact OE2-CZ 2.7Å; E361-R498 IonicContact OE2-NH1 2.77Å; E361-R498 PolarHBondContact OE2-NH1 3.43Å; A478-R498 CarbonylContact C-O 3.55Å; A478-R498 VanDerWaalsContact CA-O 3.22Å; A478-R498 WeakPolarHBondContact CA-O 3.26Å; D479-R498 PolarHBondContact N-O 2.73Å; D479-R498 PolarHBondContact O-N 3.23Å; D479-R498 WeakPolarHBondContact OD1-CB 3.33Å; D479-R498 IonicContact OD1-CZ 3.14Å; D479-R498 IonicContact OD1-NE 2.97Å; D479-R498 PolarHBondContact OD1-NE 3.15Å; D479-R498 IonicContact OD1-NH2 3.63Å; D479-R498 PolarHBondContact OD1-NH2 3.46Å; D479-R498 IonicContact OD2-CZ 3.02Å; D479-R498 IonicContact OD2-NE 2.76Å; D479-R498 IonicContact OD2-NH2 3.29Å; D479-R498 PolarHBondContact OD2-NH2 3.05Å; R498-L507 CarbonylContact C-O 3.59Å; R498-L507 VanDerWaalsContact CA-O 3.31Å; R498-L507 WeakPolarHBondContact CA-O 3.48Å; R498-V508 HydrophobicContact CB-CG2 4.24Å; R498-V508 HydrophobicContact CG-CG2 4.05Å
499	V	98.7	Very high	96.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.4	171.5	-177	0	0	0	0	107.9	I456 F461 V475 A478 F501 R506 L507	I456-V499 HydrophobicContact CB-CG2 4.3Å; I456-V499 HydrophobicContact CD1-CG2 4.38Å; I456-V499 HydrophobicContact CG2-CG2 3.83Å; F461-V499 HydrophobicContact CE1-CG1 3.87Å; F461-V499 HydrophobicContact CE1-CG2 3.93Å; F461-V499 HydrophobicContact CZ-CG1 4.41Å; F461-V499 HydrophobicContact CZ-CG2 4.3Å; V475-V499 HydrophobicContact CG1-CG1 3.96Å; V475-V499 HydrophobicContact CG2-CG1 3.91Å; A478-V499 HydrophobicContact CB-CG2 4.31Å; V499-F501 HydrophobicContact CB-CE2 4.48Å; V499-F501 HydrophobicContact CG1-CE1 4.11Å; V499-F501 HydrophobicContact CG1-CE2 3.94Å; V499-F501 HydrophobicContact CG1-CZ 3.69Å; V499-R506 CarbonylContact O-C 3.59Å; V499-R506 VanDerWaalsContact O-CA 3.27Å; V499-R506 WeakPolarHBondContact O-CA 3.36Å; V499-L507 HydrophobicContact CB-CB 4.34Å; V499-L507 PolarHBondContact N-O 2.81Å; V499-L507 PolarHBondContact O-N 3.44Å
500	C	98.5	Very high	96.4	Very high	23 Å²	23	36.8 Å²	36.8	16%	0.155	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.1	175.4	-60	0	0	0	0	109.5	A476 K477 R506	A476-C500 PolarHBondContact N-O 3.2Å; K477-C500 HydrophobicContact CB-CB 4.26Å; K477-C500 PolarHBondContact N-O 3.45Å; K477-C500 VanDerWaalsContact N-O 3.11Å; K477-C500 PolarHBondContact O-N 3.38Å; C500-R506 HydrophobicContact CB-CG 4.48Å
501	F	98.6	Very high	96.3	Very high	7 Å²	7	37.7 Å²	37.7	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	160.4	178.5	-60.1	-83.7	0	0	0	111.4	F466 F473 T474 V475 V499 D503 N504 S505 L507 L546 V549	F466-F501 HydrophobicContact CD2-CE1 4.25Å; F473-F501 HydrophobicContact CB-CD1 3.45Å; F473-F501 VanDerWaalsContact CB-CD1 3.45Å; F473-F501 HydrophobicContact CB-CE1 3.6Å; F473-F501 HydrophobicContact CB-CG 3.99Å; F473-F501 HydrophobicContact CB-CZ 4.28Å; T474-F501 CarbonylContact O-C 3.55Å; T474-F501 VanDerWaalsContact O-CA 3.25Å; T474-F501 WeakPolarHBondContact O-CA 3.44Å; T474-F501 WeakPolarHBondContact O-CD1 3.37Å; V475-F501 HydrophobicContact CG2-CD1 4.14Å; V475-F501 HydrophobicContact CG2-CE1 3.73Å; V499-F501 HydrophobicContact CB-CE2 4.48Å; V499-F501 HydrophobicContact CG1-CE1 4.11Å; V499-F501 HydrophobicContact CG1-CE2 3.94Å; V499-F501 HydrophobicContact CG1-CZ 3.69Å; F501-D503 WeakPolarHBondContact CB-OD1 3.4Å; F501-D503 PolarHBondContact O-N 2.97Å; F501-N504 PolarHBondContact O-N 3.29Å; F501-S505 WeakPolarHBondContact CD2-O 3.49Å; F501-S505 PolarHBondContact N-O 2.94Å; F501-L507 HydrophobicContact CE2-CD1 3.86Å; F501-L507 HydrophobicContact CE2-CG 3.89Å; F501-L507 HydrophobicContact CZ-CD1 3.94Å; F501-L507 HydrophobicContact CZ-CG 4.48Å; F501-L546 HydrophobicContact CD2-CD1 4.22Å; F501-L546 HydrophobicContact CE2-CD1 3.74Å; F501-L546 HydrophobicContact CZ-CD1 4.2Å; F501-V549 HydrophobicContact CZ-CG1 4.29Å
502	T	98	Very high	95.7	Very high	94 Å²	94	35.1 Å²	35.1	58%	0.577	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.2	-178.6	51.8	0	0	0	0	113.8	T474 A476 N504	T474-T502 HydrophobicContact CG2-CG2 4.38Å; T474-T502 PolarHBondContact O-N 3.47Å; A476-T502 HydrophobicContact CB-CG2 3.88Å; T502-N504 VanDerWaalsContact C-N 3.26Å; T502-N504 PolarHBondContact O-N 3.42Å
503	D	95.9	Very high	94.7	Very high	43 Å²	43	37.9 Å²	37.9	23%	0.23	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	10.9	178.3	74.9	-17	0	0	0	113.5	R471 F501 S505	R471-D503 IonicContact CZ-OD2 2.68Å; R471-D503 IonicContact NE-OD2 3.47Å; R471-D503 IonicContact NH2-OD2 3.48Å; R471-D503 PolarHBondContact NH2-OD2 3.43Å; F501-D503 WeakPolarHBondContact CB-OD1 3.4Å; F501-D503 PolarHBondContact O-N 2.97Å; D503-S505 VanDerWaalsContact CG-OG 3.24Å; D503-S505 PolarHBondContact O-N 3.13Å; D503-S505 WeakPolarHBondContact OD1-CB 3.39Å; D503-S505 PolarHBondContact OD1-N 3.44Å; D503-S505 PolarHBondContact OD1-OG 3.33Å; D503-S505 PolarHBondContact OD2-OG 3.29Å; D503-S505 VanDerWaalsContact OD2-OG 3.07Å
504	N	95.9	Very high	93.2	Very high	94 Å²	94	32.3 Å²	32.3	50%	0.503	19%	0.19	S	C	.	.	S	Bend	trans	70.3	9.9	-172.9	-48.1	-80.2	0	0	0	115.1	F501 T502	F501-N504 PolarHBondContact O-N 3.29Å; T502-N504 VanDerWaalsContact C-N 3.26Å; T502-N504 PolarHBondContact O-N 3.42Å
505	S	97.9	Very high	91.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.176	C	C	.	.			trans	-72.8	154.2	167.3	-55.1	0	0	0	0	111.1	F501 D503 D526 S527	F501-S505 WeakPolarHBondContact CD2-O 3.49Å; F501-S505 PolarHBondContact N-O 2.94Å; D503-S505 VanDerWaalsContact CG-OG 3.24Å; D503-S505 PolarHBondContact O-N 3.13Å; D503-S505 WeakPolarHBondContact OD1-CB 3.39Å; D503-S505 PolarHBondContact OD1-N 3.44Å; D503-S505 PolarHBondContact OD1-OG 3.33Å; D503-S505 PolarHBondContact OD2-OG 3.29Å; D503-S505 VanDerWaalsContact OD2-OG 3.07Å; S505-D526 CarbonylContact C-O 3.38Å; S505-D526 WeakPolarHBondContact CA-O 3.43Å; S505-S527 PolarHBondContact OG-OG 3.08Å
506	R	98.1	Very high	90.5	Very high	22 Å²	22	28 Å²	28	8%	0.083	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	145	-177.8	-55.1	-178.3	-63.7	153.9	8.6	111.3	T344 A345 E361 V499 C500 D526	T344-R506 PolarHBondContact O-NH2 3.24Å; A345-R506 VanDerWaalsContact CA-NH2 3.33Å; E361-R506 IonicContact OE1-NH1 2.67Å; E361-R506 PolarHBondContact OE1-NH1 2.96Å; V499-R506 CarbonylContact O-C 3.59Å; V499-R506 VanDerWaalsContact O-CA 3.27Å; V499-R506 WeakPolarHBondContact O-CA 3.36Å; C500-R506 HydrophobicContact CB-CG 4.48Å; R506-D526 HydrophobicContact CB-CB 4.42Å; R506-D526 IonicContact CZ-OD2 2.76Å; R506-D526 PolarHBondContact N-O 3.02Å; R506-D526 IonicContact NE-OD2 2.89Å; R506-D526 PolarHBondContact NE-OD2 3.16Å; R506-D526 VanDerWaalsContact NE-OD2 3.12Å; R506-D526 IonicContact NH2-OD2 3.86Å; R506-D526 PolarHBondContact NH2-OD2 3.22Å; R506-D526 PolarHBondContact O-N 3.43Å
507	L	98.7	Very high	89.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136	167.3	-65.1	173.3	0	0	0	108.7	R498 V499 F501 Y509 Y524 V525 L546 V549 A550 L553	R498-L507 CarbonylContact C-O 3.59Å; R498-L507 VanDerWaalsContact CA-O 3.31Å; R498-L507 WeakPolarHBondContact CA-O 3.48Å; V499-L507 HydrophobicContact CB-CB 4.34Å; V499-L507 PolarHBondContact N-O 2.81Å; V499-L507 PolarHBondContact O-N 3.44Å; F501-L507 HydrophobicContact CE2-CD1 3.86Å; F501-L507 HydrophobicContact CE2-CG 3.89Å; F501-L507 HydrophobicContact CZ-CD1 3.94Å; F501-L507 HydrophobicContact CZ-CG 4.48Å; L507-Y509 HydrophobicContact CB-CE2 3.9Å; L507-Y524 WeakPolarHBondContact CA-O 3.43Å; L507-V525 HydrophobicContact CD2-CB 4.15Å; L507-V525 HydrophobicContact CD2-CG1 3.92Å; L507-V525 HydrophobicContact CD2-CG2 3.75Å; L507-L546 HydrophobicContact CD1-CD1 4.11Å; L507-L546 HydrophobicContact CD2-CD1 4.11Å; L507-L546 HydrophobicContact CD2-CD2 4.34Å; L507-L546 HydrophobicContact CD2-CG 3.85Å; L507-L546 HydrophobicContact CG-CD1 4.06Å; L507-L546 HydrophobicContact CG-CG 4.33Å; L507-V549 HydrophobicContact CD1-CG1 4.11Å; L507-A550 HydrophobicContact CD1-CB 3.93Å; L507-A550 HydrophobicContact CD2-CB 3.53Å; L507-A550 HydrophobicContact CG-CB 4.32Å; L507-L553 HydrophobicContact CD1-CD1 4Å
508	V	98.5	Very high	88.8	Confident	4 Å²	4	33.8 Å²	33.8	2%	0.024	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.4	174	179	0	0	0	0	108.9	M342 P343 L497 R498 R510 V523 Y524	M342-V508 HydrophobicContact CE-CG1 3.62Å; M342-V508 HydrophobicContact SD-CB 4.25Å; M342-V508 HydrophobicContact SD-CG1 3.55Å; M342-V508 VanDerWaalsContact SD-CG1 3.55Å; M342-V508 HydrophobicContact SD-CG2 3.6Å; P343-V508 HydrophobicContact CG-CG1 4.46Å; L497-V508 CarbonylContact O-C 3.58Å; L497-V508 VanDerWaalsContact O-CA 3.27Å; L497-V508 WeakPolarHBondContact O-CA 3.34Å; R498-V508 HydrophobicContact CB-CG2 4.24Å; R498-V508 HydrophobicContact CG-CG2 4.05Å; V508-R510 HydrophobicContact CG1-CG 4.09Å; V508-V523 WeakPolarHBondContact O-CA 3.47Å; V508-Y524 HydrophobicContact CB-CD2 3.68Å; V508-Y524 HydrophobicContact CB-CG 4.22Å; V508-Y524 HydrophobicContact CG1-CD2 3.7Å; V508-Y524 HydrophobicContact CG1-CE2 4.12Å; V508-Y524 PolarHBondContact N-O 3.36Å; V508-Y524 WeakPolarHBondContact O-CD2 3.25Å; V508-Y524 PolarHBondContact O-N 2.84Å
509	Y	98.4	Very high	88.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	131.1	176.8	-52.7	-98.6	0	0	0	109.7	M449 L452 L497 L507 R522 V523 A550 C554	M449-Y509 WeakPolarHBondContact CE-O 3.29Å; L452-Y509 HydrophobicContact CD2-CD1 3.72Å; L452-Y509 HydrophobicContact CD2-CD2 3.59Å; L452-Y509 HydrophobicContact CD2-CE1 4.1Å; L452-Y509 HydrophobicContact CD2-CE2 3.97Å; L452-Y509 HydrophobicContact CD2-CG 3.44Å; L452-Y509 VanDerWaalsContact CD2-CG 3.44Å; L497-Y509 HydrophobicContact CB-CD2 4.49Å; L497-Y509 PolarHBondContact N-O 3.08Å; L497-Y509 PolarHBondContact O-N 3.23Å; L507-Y509 HydrophobicContact CB-CE2 3.9Å; Y509-R522 WeakPolarHBondContact CA-O 3.3Å; Y509-V523 HydrophobicContact CD1-CB 4.41Å; Y509-V523 HydrophobicContact CD1-CG1 4.03Å; Y509-V523 HydrophobicContact CD1-CG2 3.91Å; Y509-V523 HydrophobicContact CE1-CG1 3.71Å; Y509-V523 HydrophobicContact CE1-CG2 4.15Å; Y509-A550 WeakPolarHBondContact OH-CA 3.38Å; Y509-A550 PolarHBondContact OH-O 2.97Å; Y509-C554 HydrophobicContact CD1-CB 3.95Å; Y509-C554 HydrophobicContact CE1-CB 3.63Å
510	R	95.9	Very high	88	Confident	32 Å²	32	34 Å²	34	12%	0.121	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143.8	179.3	-63.1	-175.4	68.5	-141.5	3.9	111.4	T364 Q495 V508 R522 Y524	T364-R510 VanDerWaalsContact CB-NH1 3.29Å; T364-R510 PolarHBondContact OG1-NH1 3.45Å; Q495-R510 PolarHBondContact O-NE 3.44Å; V508-R510 HydrophobicContact CG1-CG 4.09Å; R510-R522 PolarHBondContact N-O 2.95Å; R510-R522 PolarHBondContact O-N 2.6Å; R510-Y524 HydrophobicContact CB-CE2 4.09Å; R510-Y524 HydrophobicContact CG-CE2 3.92Å
511	L	90.7	Very high	87.9	Confident	71 Å²	71	33 Å²	33	37%	0.372	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	108.9	164.6	-164.6	64.3	0	0	0	107.8	C445 M449 A519 V521	C445-L511 HydrophobicContact CB-CD1 3.59Å; M449-L511 HydrophobicContact CG-CB 4.44Å; L511-A519 HydrophobicContact CD1-CB 3.89Å; L511-V521 HydrophobicContact CD1-CG2 3.82Å
512	S	81.5	Confident	87.8	Confident	17 Å²	17	33.3 Å²	33.3	12%	0.119	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	138.1	-177.5	-174.2	0	0	0	0	111.5	T514 T520	S512-T514 PolarHBondContact OG-N 3.18Å; S512-T514 PolarHBondContact OG-OG1 3.14Å; S512-T520 PolarHBondContact N-O 2.95Å
513	G	69.2	Low	87.8	Confident	63 Å²	63	28.9 Å²	28.9	65%	0.649	20%	0.196	S	C	*	.	S	Bend	trans	-98.6	16	171.8	0	0	0	0	0	114.1
514	T	63.5	Low	87.9	Confident	25 Å²	25	27 Å²	27	15%	0.153	19%	0.185	C	C	.	.			trans	-90.7	-18.1	-175.1	60.1	0	0	0	0	114.6	N123 S512	N123-T514 PolarHBondContact ND2-O 3.18Å; S512-T514 PolarHBondContact OG-N 3.18Å; S512-T514 PolarHBondContact OG-OG1 3.14Å
515	G	64.4	Low	88	Confident	35 Å²	35	22.6 Å²	22.6	36%	0.361	16%	0.162	S	C	.	.			trans	-76.1	146	176.8	0	0	0	0	0	111.7
516	S	65.8	Low	88	Confident	33 Å²	33	22.8 Å²	22.8	23%	0.231	16%	0.163	C	C	.	.	S	Bend	trans	-84.8	-25.4	175	58.9	0	0	0	0	112.9	D130	D130-S516 VanDerWaalsContact CG-CB 3.49Å; D130-S516 WeakPolarHBondContact OD1-CB 3.24Å; D130-S516 PolarHBondContact OD1-OG 3.3Å; D130-S516 WeakPolarHBondContact OD2-CB 3.48Å; D130-S516 PolarHBondContact OD2-OG 2.85Å
517	T	74.4	Confident	88	Confident	74 Å²	74	21.8 Å²	21.8	45%	0.454	16%	0.159	S	C	.	.	S	Bend	trans	-126.8	136.3	-179	54.2	0	0	0	0	111.7	N439	N439-T517 PolarHBondContact OD1-O 3.42Å; N439-T517 PolarHBondContact OD1-OG1 2.91Å
518	G	83.5	Confident	87.9	Confident	59 Å²	59	23.2 Å²	23.2	61%	0.608	17%	0.165	S	C	*	.	S	Bend	trans	60.3	-168.3	-178.7	0	0	0	0	0	113.7
519	A	88.6	Confident	87.8	Confident	11 Å²	11	23.8 Å²	23.8	9%	0.091	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	152.4	172.8	0	0	0	0	0	111.1	N439 C440 C445 L511	N439-A519 PolarHBondContact N-O 2.98Å; C440-A519 PolarHBondContact N-O 2.99Å; C440-A519 PolarHBondContact O-N 2.94Å; C445-A519 HydrophobicContact CB-CB 4.22Å; L511-A519 HydrophobicContact CD1-CB 3.89Å
520	T	92.5	Very high	87.6	Confident	8 Å²	8	30.5 Å²	30.5	5%	0.049	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.9	172.1	-61.4	0	0	0	0	109.8	D436 Y437 E438 S512 R522	D436-T520 HydrophobicContact CB-CG2 4.37Å; Y437-T520 VanDerWaalsContact O-CA 3.3Å; Y437-T520 WeakPolarHBondContact O-CA 3.4Å; E438-T520 HydrophobicContact CG-CG2 3.95Å; S512-T520 PolarHBondContact N-O 2.95Å; T520-R522 HydrophobicContact CG2-CG 4.14Å
521	V	95.4	Very high	87.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.8	172.4	176.7	0	0	0	0	108.6	Y437 C445 M448 L511 V523 I556	Y437-V521 PolarHBondContact N-O 3.2Å; Y437-V521 PolarHBondContact O-N 3.22Å; C445-V521 HydrophobicContact CB-CG2 3.76Å; C445-V521 VanDerWaalsContact SG-CG2 3.51Å; M448-V521 HydrophobicContact CE-CB 4.46Å; M448-V521 HydrophobicContact CE-CG1 3.52Å; M448-V521 HydrophobicContact CE-CG2 4.06Å; M448-V521 HydrophobicContact SD-CG1 4.39Å; L511-V521 HydrophobicContact CD1-CG2 3.82Å; V521-V523 HydrophobicContact CG1-CG2 4.48Å; V521-I556 HydrophobicContact CB-CD1 4.1Å; V521-I556 HydrophobicContact CG1-CD1 3.68Å
522	R	96.6	Very high	87.8	Confident	14 Å²	14	35.2 Å²	35.2	5%	0.053	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126.5	178	-56.9	-165.7	161	161.3	5.8	110.3	Y435 D436 Y509 R510 T520 Y524	Y435-R522 WeakPolarHBondContact O-CA 3.48Å; D436-R522 VanDerWaalsContact OD1-CD 3.28Å; D436-R522 WeakPolarHBondContact OD1-CD 3.22Å; D436-R522 WeakPolarHBondContact OD1-CG 3.49Å; D436-R522 IonicContact OD1-CZ 3.96Å; D436-R522 IonicContact OD1-NE 3.58Å; D436-R522 PolarHBondContact OD1-NE 2.84Å; Y509-R522 WeakPolarHBondContact CA-O 3.3Å; R510-R522 PolarHBondContact N-O 2.95Å; R510-R522 PolarHBondContact O-N 2.6Å; T520-R522 HydrophobicContact CG2-CG 4.14Å; R522-Y524 HydrophobicContact CB-CD2 4.48Å; R522-Y524 HydrophobicContact CB-CE1 4.46Å; R522-Y524 HydrophobicContact CB-CE2 3.6Å; R522-Y524 WeakPolarHBondContact CB-OH 3.27Å; R522-Y524 WeakPolarHBondContact CD-OH 3.37Å
523	V	98	Very high	88.5	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.6	173.2	-173.4	0	0	0	0	108	R434 Y435 Y437 V508 Y509 V521 V525 A550	R434-V523 CarbonylContact C-O 3.58Å; R434-V523 WeakPolarHBondContact CA-O 3.33Å; Y435-V523 PolarHBondContact N-O 3.14Å; Y435-V523 PolarHBondContact O-N 3.06Å; Y437-V523 HydrophobicContact CE2-CG2 4.49Å; V508-V523 WeakPolarHBondContact O-CA 3.47Å; Y509-V523 HydrophobicContact CD1-CB 4.41Å; Y509-V523 HydrophobicContact CD1-CG1 4.03Å; Y509-V523 HydrophobicContact CD1-CG2 3.91Å; Y509-V523 HydrophobicContact CE1-CG1 3.71Å; Y509-V523 HydrophobicContact CE1-CG2 4.15Å; V521-V523 HydrophobicContact CG1-CG2 4.48Å; V523-V525 HydrophobicContact CG1-CG2 4.28Å; V523-A550 HydrophobicContact CG1-CB 4.01Å
524	Y	98.3	Very high	89.7	Confident	3 Å²	3	42.3 Å²	42.3	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.8	177.7	-42.9	-102.3	0	0	0	108.6	P343 E384 F432 R434 L507 V508 R510 R522	P343-Y524 HydrophobicContact CB-CD1 3.69Å; P343-Y524 HydrophobicContact CB-CD2 4.04Å; P343-Y524 HydrophobicContact CB-CE1 3.56Å; P343-Y524 HydrophobicContact CB-CE2 3.96Å; P343-Y524 HydrophobicContact CB-CG 3.92Å; P343-Y524 HydrophobicContact CG-CE1 4.44Å; P343-Y524 HydrophobicContact CG-CE2 4.33Å; E384-Y524 VanDerWaalsContact CD-CE1 3.4Å; E384-Y524 HydrophobicContact CG-CD1 4.1Å; E384-Y524 HydrophobicContact CG-CE1 3.78Å; E384-Y524 WeakPolarHBondContact OE1-CE1 3.35Å; F432-Y524 HydrophobicContact CE2-CD1 4.4Å; F432-Y524 HydrophobicContact CZ-CD1 4.07Å; R434-Y524 HydrophobicContact CB-CD1 4.03Å; R434-Y524 HydrophobicContact CB-CE1 4.46Å; R434-Y524 HydrophobicContact CG-CD1 3.63Å; R434-Y524 HydrophobicContact CG-CE1 3.69Å; R434-Y524 HydrophobicContact CG-CG 4.37Å; L507-Y524 WeakPolarHBondContact CA-O 3.43Å; V508-Y524 HydrophobicContact CB-CD2 3.68Å; V508-Y524 HydrophobicContact CB-CG 4.22Å; V508-Y524 HydrophobicContact CG1-CD2 3.7Å; V508-Y524 HydrophobicContact CG1-CE2 4.12Å; V508-Y524 PolarHBondContact N-O 3.36Å; V508-Y524 WeakPolarHBondContact O-CD2 3.25Å; V508-Y524 PolarHBondContact O-N 2.84Å; R510-Y524 HydrophobicContact CB-CE2 4.09Å; R510-Y524 HydrophobicContact CG-CE2 3.92Å; R522-Y524 HydrophobicContact CB-CD2 4.48Å; R522-Y524 HydrophobicContact CB-CE1 4.46Å; R522-Y524 HydrophobicContact CB-CE2 3.6Å; R522-Y524 WeakPolarHBondContact CB-OH 3.27Å; R522-Y524 WeakPolarHBondContact CD-OH 3.37Å
525	V	98.5	Very high	91.3	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	118.7	-179.1	-174.1	0	0	0	0	108	F432 T433 L507 V523 L543 L546 I547 A550	F432-V525 CarbonylContact C-O 3.58Å; F432-V525 VanDerWaalsContact CA-O 3.32Å; F432-V525 WeakPolarHBondContact CA-O 3.49Å; T433-V525 HydrophobicContact CG2-CB 4.08Å; T433-V525 HydrophobicContact CG2-CG2 4.45Å; T433-V525 PolarHBondContact N-O 2.98Å; T433-V525 PolarHBondContact O-N 2.8Å; L507-V525 HydrophobicContact CD2-CB 4.15Å; L507-V525 HydrophobicContact CD2-CG1 3.92Å; L507-V525 HydrophobicContact CD2-CG2 3.75Å; V523-V525 HydrophobicContact CG1-CG2 4.28Å; V525-L543 HydrophobicContact CG1-CD2 4.09Å; V525-L546 HydrophobicContact CG1-CB 3.91Å; V525-L546 HydrophobicContact CG1-CD2 3.54Å; V525-L546 HydrophobicContact CG1-CG 3.6Å; V525-I547 HydrophobicContact CB-CG1 4.42Å; V525-I547 HydrophobicContact CG1-CG1 4.2Å; V525-I547 HydrophobicContact CG2-CG1 4.08Å; V525-A550 HydrophobicContact CG2-CB 4.25Å
526	D	97.9	Very high	92.7	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.027	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115.2	179.4	175.2	16.2	0	0	0	108.2	A345 A346 N430 V431 F432 S505 R506	A345-D526 WeakPolarHBondContact CA-OD2 3.44Å; A345-D526 HydrophobicContact CB-CB 4.4Å; A346-D526 PolarHBondContact N-OD2 3.27Å; N430-D526 PolarHBondContact ND2-OD1 2.9Å; N430-D526 PolarHBondContact ND2-OD2 3.39Å; V431-D526 CarbonylContact O-C 3.52Å; V431-D526 WeakPolarHBondContact O-CA 3.23Å; F432-D526 HydrophobicContact CD2-CB 4.32Å; S505-D526 CarbonylContact C-O 3.38Å; S505-D526 WeakPolarHBondContact CA-O 3.43Å; R506-D526 HydrophobicContact CB-CB 4.42Å; R506-D526 IonicContact CZ-OD2 2.76Å; R506-D526 PolarHBondContact N-O 3.02Å; R506-D526 IonicContact NE-OD2 2.89Å; R506-D526 PolarHBondContact NE-OD2 3.16Å; R506-D526 VanDerWaalsContact NE-OD2 3.12Å; R506-D526 IonicContact NH2-OD2 3.86Å; R506-D526 PolarHBondContact NH2-OD2 3.22Å; R506-D526 PolarHBondContact O-N 3.43Å
527	S	97.4	Very high	94.2	Very high	1 Å²	1	45 Å²	45	1%	0.007	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	140.3	175.7	-168.5	0	0	0	0	110.7	N430 V431 R471 S505	N430-S527 CarbonylContact C-O 3.34Å; V431-S527 PolarHBondContact N-O 3.46Å; V431-S527 PolarHBondContact O-N 3.09Å; R471-S527 PolarHBondContact NH1-OG 2.92Å; R471-S527 VanDerWaalsContact NH1-OG 3.16Å; R471-S527 PolarHBondContact NH2-OG 2.8Å; R471-S527 VanDerWaalsContact NH2-OG 3.16Å; S505-S527 PolarHBondContact OG-OG 3.08Å
528	Y	97	Very high	95.1	Very high	29 Å²	29	44.9 Å²	44.9	11%	0.114	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	132.2	177.3	-176.3	-117	0	0	0	111.6	R350 F427 R471 E530	R350-Y528 VanDerWaalsContact NE-CE2 3.3Å; R350-Y528 PolarHBondContact NH1-OH 3Å; R350-Y528 VanDerWaalsContact NH1-OH 3.14Å; F427-Y528 PolarHBondContact O-OH 2.95Å; R471-Y528 PolarHBondContact NH2-O 3.37Å; Y528-E530 HydrophobicContact CE1-CB 3.76Å; Y528-E530 HydrophobicContact CE1-CG 4.28Å
529	E	96.8	Very high	95.6	Very high	17 Å²	17	44.4 Å²	44.4	8%	0.079	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	111.9	172.4	-178.6	57.9	-97.4	0	0	109.9	R429 V431 K531 R534 Q535	R429-E529 PolarHBondContact N-O 3.49Å; R429-E529 PolarHBondContact O-N 3.46Å; V431-E529 HydrophobicContact CG2-CB 4.28Å; E529-K531 WeakPolarHBondContact OE1-CB 3.24Å; E529-K531 PolarHBondContact OE1-N 3.42Å; E529-R534 VanDerWaalsContact CD-CB 3.49Å; E529-R534 HydrophobicContact CG-CB 3.73Å; E529-R534 WeakPolarHBondContact OE2-CB 3.48Å; E529-R534 WeakPolarHBondContact OE2-CD 3.37Å; E529-R534 IonicContact OE2-CZ 3.82Å; E529-R534 IonicContact OE2-NE 2.79Å; E529-R534 PolarHBondContact OE2-NE 2.99Å; E529-Q535 HydrophobicContact CG-CG 4.12Å; E529-Q535 PolarHBondContact O-NE2 3.37Å
530	E	94.5	Very high	95.8	Very high	141 Å²	141	48 Å²	48	66%	0.659	25%	0.252	S	S	*	.			trans	-85.7	-30.9	179.8	-169.7	169.6	-158.2	0	0	111.9	Y528 V532 Q535	Y528-E530 HydrophobicContact CE1-CB 3.76Å; Y528-E530 HydrophobicContact CE1-CG 4.28Å; E530-V532 PolarHBondContact O-N 2.83Å; E530-Q535 PolarHBondContact O-NE2 2.86Å; E530-Q535 VanDerWaalsContact O-NE2 3.14Å
531	K	95.4	Very high	95.9	Very high	122 Å²	122	52.8 Å²	52.8	53%	0.53	27%	0.274	S	S	.	.			trans	-76.6	113.5	-172.4	-64	-175.4	179	-175.9	0	111.3	E529 E533 R534 Q535	E529-K531 WeakPolarHBondContact OE1-CB 3.24Å; E529-K531 PolarHBondContact OE1-N 3.42Å; K531-E533 PolarHBondContact O-N 3.35Å; K531-E533 VanDerWaalsContact O-N 3.17Å; K531-R534 HydrophobicContact CB-CB 4.28Å; K531-R534 HydrophobicContact CB-CG 4.2Å; K531-R534 PolarHBondContact O-N 3.32Å; K531-Q535 WeakPolarHBondContact O-CG 3.08Å; K531-Q535 PolarHBondContact O-N 3.42Å; K531-Q535 VanDerWaalsContact O-N 3.14Å
532	V	95	Very high	96	Very high	79 Å²	79	53.1 Å²	53.1	48%	0.479	28%	0.275	S	S	.	.	H	α-helix	trans	-53.4	-39.9	-176	179.1	0	0	0	0	112.2	E530 R534 Q535	E530-V532 PolarHBondContact O-N 2.83Å; V532-R534 PolarHBondContact O-N 3.4Å; V532-Q535 PolarHBondContact O-N 3.09Å
533	E	95.1	Very high	96	Very high	134 Å²	134	52.5 Å²	52.5	63%	0.626	27%	0.273	S	S	*	.	H	α-helix	trans	-66	-22.1	179	68.8	-82.5	-168.4	0	0	113.9	K531	K531-E533 PolarHBondContact O-N 3.35Å; K531-E533 VanDerWaalsContact O-N 3.17Å
534	R	96	Very high	96	Very high	95 Å²	95	57.7 Å²	57.7	36%	0.358	30%	0.296	S	S	.	.	H	α-helix	trans	-94.7	-21.5	176.6	-65.9	-179.1	62.1	86.9	7.1	112.7	E529 K531 V532 T536 L537	E529-R534 VanDerWaalsContact CD-CB 3.49Å; E529-R534 HydrophobicContact CG-CB 3.73Å; E529-R534 WeakPolarHBondContact OE2-CB 3.48Å; E529-R534 WeakPolarHBondContact OE2-CD 3.37Å; E529-R534 IonicContact OE2-CZ 3.82Å; E529-R534 IonicContact OE2-NE 2.79Å; E529-R534 PolarHBondContact OE2-NE 2.99Å; K531-R534 HydrophobicContact CB-CB 4.28Å; K531-R534 HydrophobicContact CB-CG 4.2Å; K531-R534 PolarHBondContact O-N 3.32Å; V532-R534 PolarHBondContact O-N 3.4Å; R534-T536 PolarHBondContact O-N 3.1Å; R534-T536 VanDerWaalsContact O-N 3.13Å; R534-L537 HydrophobicContact CB-CD1 4.23Å; R534-L537 HydrophobicContact CG-CD1 4.37Å; R534-L537 WeakPolarHBondContact O-CB 3.32Å; R534-L537 WeakPolarHBondContact O-CG 3.22Å; R534-L537 PolarHBondContact O-N 2.88Å
535	Q	96.7	Very high	96	Very high	5 Å²	5	58.2 Å²	58.2	2%	0.023	30%	0.299	C	S	.	.	H	α-helix	trans	-62.3	-21.8	-176.3	-70.1	169.9	5.9	0	0	113.5	W424 R429 E529 E530 K531 V532	W424-Q535 HydrophobicContact CB-CB 4.5Å; W424-Q535 PolarHBondContact O-NE2 3.03Å; W424-Q535 PolarHBondContact O-OE1 2.91Å; R429-Q535 HydrophobicContact CB-CB 4.21Å; R429-Q535 HydrophobicContact CB-CG 3.8Å; R429-Q535 WeakPolarHBondContact CD-O 3.09Å; R429-Q535 PolarHBondContact NH1-O 2.95Å; E529-Q535 HydrophobicContact CG-CG 4.12Å; E529-Q535 PolarHBondContact O-NE2 3.37Å; E530-Q535 PolarHBondContact O-NE2 2.86Å; E530-Q535 VanDerWaalsContact O-NE2 3.14Å; K531-Q535 WeakPolarHBondContact O-CG 3.08Å; K531-Q535 PolarHBondContact O-N 3.42Å; K531-Q535 VanDerWaalsContact O-N 3.14Å; V532-Q535 PolarHBondContact O-N 3.09Å
536	T	94	Very high	96	Very high	95 Å²	95	58.1 Å²	58.1	58%	0.583	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-7.9	177.9	55.5	0	0	0	0	113.8	R534	R534-T536 PolarHBondContact O-N 3.1Å; R534-T536 VanDerWaalsContact O-N 3.13Å
537	L	95.8	Very high	96	Very high	50 Å²	50	58.8 Å²	58.8	26%	0.262	30%	0.302	S	S	.	.	S	Bend	trans	-66.5	152.7	177.8	-63.8	174.2	0	0	0	111.3	R429 R534 L542	R429-L537 PolarHBondContact NH1-O 3.43Å; R534-L537 HydrophobicContact CB-CD1 4.23Å; R534-L537 HydrophobicContact CG-CD1 4.37Å; R534-L537 WeakPolarHBondContact O-CB 3.32Å; R534-L537 WeakPolarHBondContact O-CG 3.22Å; R534-L537 PolarHBondContact O-N 2.88Å; L537-L542 HydrophobicContact CB-CD1 4.12Å; L537-L542 HydrophobicContact CB-CD2 4.11Å; L537-L542 HydrophobicContact CB-CG 3.96Å; L537-L542 HydrophobicContact CD1-CD2 4.01Å
538	P	94	Very high	96	Very high	72 Å²	72	61.5 Å²	61.5	47%	0.468	32%	0.315	S	S	.	.			trans	-56.9	140.5	176.8	-24.6	35	0	0	0	112.1	S540 E541 L542	P538-S540 PolarHBondContact O-N 2.68Å; P538-E541 PolarHBondContact O-N 2.87Å; P538-E541 VanDerWaalsContact O-N 3.11Å; P538-L542 PolarHBondContact O-N 3.43Å; P538-L542 VanDerWaalsContact O-N 3.16Å
539	S	93.7	Very high	96.1	Very high	48 Å²	48	60.2 Å²	60.2	34%	0.336	31%	0.31	S	S	.	.	H	α-helix	trans	-60	-36.5	177.9	50.6	0	0	0	0	112.1	E541 L542 L543	S539-E541 PolarHBondContact O-N 3.01Å; S539-L542 PolarHBondContact O-N 3.11Å; S539-L543 WeakPolarHBondContact O-CB 3.32Å; S539-L543 WeakPolarHBondContact O-CG 3.4Å; S539-L543 PolarHBondContact O-N 2.73Å
540	S	92.5	Very high	96.2	Very high	87 Å²	87	59.4 Å²	59.4	61%	0.608	31%	0.306	S	S	*	.	H	α-helix	trans	-59.5	-32.5	176.6	54.4	0	0	0	0	113.3	P538 K544	P538-S540 PolarHBondContact O-N 2.68Å; S540-K544 WeakPolarHBondContact O-CB 3.47Å; S540-K544 PolarHBondContact O-N 3.09Å
541	E	95.3	Very high	96.3	Very high	109 Å²	109	55.2 Å²	55.2	51%	0.509	29%	0.288	S	S	.	.	H	α-helix	trans	-78.1	-51.3	176	-173.4	-174.4	137.6	0	0	110.9	P538 S539 L543 K544	P538-E541 PolarHBondContact O-N 2.87Å; P538-E541 VanDerWaalsContact O-N 3.11Å; S539-E541 PolarHBondContact O-N 3.01Å; E541-L543 VanDerWaalsContact C-N 3.28Å; E541-L543 PolarHBondContact O-N 2.91Å; E541-K544 PolarHBondContact O-N 3.49Å
542	L	96.6	Very high	96.4	Very high	6 Å²	6	53.9 Å²	53.9	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-62.7	-35.2	-177.3	-68.8	176.5	0	0	0	112.7	V431 L537 P538 S539	V431-L542 HydrophobicContact CG1-CB 4.2Å; V431-L542 HydrophobicContact CG1-CD1 4.35Å; V431-L542 HydrophobicContact CG2-CB 4.31Å; V431-L542 HydrophobicContact CG2-CD1 3.72Å; L537-L542 HydrophobicContact CB-CD1 4.12Å; L537-L542 HydrophobicContact CB-CD2 4.11Å; L537-L542 HydrophobicContact CB-CG 3.96Å; L537-L542 HydrophobicContact CD1-CD2 4.01Å; P538-L542 PolarHBondContact O-N 3.43Å; P538-L542 VanDerWaalsContact O-N 3.16Å; S539-L542 PolarHBondContact O-N 3.11Å
543	L	97.7	Very high	96.5	Very high	1 Å²	1	51 Å²	51	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-89.6	-15.5	-177.5	-66.3	-178.3	0	0	0	114.1	V431 T433 V525 S539 E541 P545 L546 I547	V431-L543 HydrophobicContact CB-CD1 4.48Å; V431-L543 HydrophobicContact CB-CD2 3.9Å; V431-L543 HydrophobicContact CB-CG 4.13Å; V431-L543 HydrophobicContact CG1-CD1 3.87Å; V431-L543 HydrophobicContact CG1-CD2 3.99Å; V431-L543 HydrophobicContact CG1-CG 3.63Å; V431-L543 WeakPolarHBondContact O-CD2 3.27Å; T433-L543 HydrophobicContact CG2-CD1 3.7Å; V525-L543 HydrophobicContact CG1-CD2 4.09Å; S539-L543 WeakPolarHBondContact O-CB 3.32Å; S539-L543 WeakPolarHBondContact O-CG 3.4Å; S539-L543 PolarHBondContact O-N 2.73Å; E541-L543 VanDerWaalsContact C-N 3.28Å; E541-L543 PolarHBondContact O-N 2.91Å; L543-P545 VanDerWaalsContact C-CD 3.47Å; L543-P545 VanDerWaalsContact C-N 3.35Å; L543-L546 PolarHBondContact O-N 2.89Å; L543-I547 HydrophobicContact CB-CD1 3.65Å; L543-I547 HydrophobicContact CB-CG1 4.1Å; L543-I547 WeakPolarHBondContact O-CG1 3.22Å; L543-I547 PolarHBondContact O-N 3.39Å
544	K	97.5	Very high	96.6	Very high	111 Å²	111	44.8 Å²	44.8	48%	0.483	24%	0.24	S	C	.	.	H	α-helix	trans	-46.9	-50.3	-177.2	176.6	-175.9	-177.8	-170.1	0	113.2	S540 E541 L546 I547 E548	S540-K544 WeakPolarHBondContact O-CB 3.47Å; S540-K544 PolarHBondContact O-N 3.09Å; E541-K544 PolarHBondContact O-N 3.49Å; K544-L546 VanDerWaalsContact C-N 3.31Å; K544-L546 PolarHBondContact O-N 2.81Å; K544-I547 PolarHBondContact O-N 2.88Å; K544-E548 WeakPolarHBondContact CE-OE1 3.34Å; K544-E548 WeakPolarHBondContact O-CG 3.46Å; K544-E548 PolarHBondContact O-N 3.37Å
545	P	98.2	Very high	96.7	Very high	13 Å²	13	44.1 Å²	44.1	8%	0.084	24%	0.241	C	C	.	.	H	α-helix	trans	-55.6	-43.4	177.6	-25.8	34.4	0	0	0	113.7	K468 R471 F473 L543 E548 V549	K468-P545 HydrophobicContact CB-CB 4.49Å; K468-P545 VanDerWaalsContact CB-O 3.3Å; K468-P545 WeakPolarHBondContact CB-O 3.37Å; K468-P545 WeakPolarHBondContact O-CB 3.45Å; R471-P545 HydrophobicContact CB-CB 3.93Å; R471-P545 HydrophobicContact CB-CG 4.14Å; F473-P545 HydrophobicContact CE2-CB 3.68Å; F473-P545 HydrophobicContact CZ-CB 3.93Å; L543-P545 VanDerWaalsContact C-CD 3.47Å; L543-P545 VanDerWaalsContact C-N 3.35Å; P545-E548 PolarHBondContact O-N 2.78Å; P545-V549 WeakPolarHBondContact O-CG2 3.37Å; P545-V549 PolarHBondContact O-N 3.36Å
546	L	98.5	Very high	96.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-79	-32.4	-174.8	-170.7	58.5	0	0	0	111.9	F473 F501 L507 V525 L543 K544 E548 V549 A550	F473-L546 HydrophobicContact CD1-CD1 3.92Å; F473-L546 HydrophobicContact CD2-CD1 4.26Å; F473-L546 HydrophobicContact CE1-CB 4.15Å; F473-L546 HydrophobicContact CE1-CD1 3.9Å; F473-L546 HydrophobicContact CE1-CD2 4.41Å; F473-L546 HydrophobicContact CE1-CG 4.36Å; F473-L546 HydrophobicContact CE2-CB 4.17Å; F473-L546 HydrophobicContact CE2-CD1 4.23Å; F473-L546 HydrophobicContact CG-CD1 4.09Å; F473-L546 HydrophobicContact CZ-CB 3.69Å; F473-L546 HydrophobicContact CZ-CD1 4.04Å; F473-L546 HydrophobicContact CZ-CG 4.34Å; F501-L546 HydrophobicContact CD2-CD1 4.22Å; F501-L546 HydrophobicContact CE2-CD1 3.74Å; F501-L546 HydrophobicContact CZ-CD1 4.2Å; L507-L546 HydrophobicContact CD1-CD1 4.11Å; L507-L546 HydrophobicContact CD2-CD1 4.11Å; L507-L546 HydrophobicContact CD2-CD2 4.34Å; L507-L546 HydrophobicContact CD2-CG 3.85Å; L507-L546 HydrophobicContact CG-CD1 4.06Å; L507-L546 HydrophobicContact CG-CG 4.33Å; V525-L546 HydrophobicContact CG1-CB 3.91Å; V525-L546 HydrophobicContact CG1-CD2 3.54Å; V525-L546 HydrophobicContact CG1-CG 3.6Å; L543-L546 PolarHBondContact O-N 2.89Å; K544-L546 VanDerWaalsContact C-N 3.31Å; K544-L546 PolarHBondContact O-N 2.81Å; L546-E548 VanDerWaalsContact C-N 3.33Å; L546-V549 HydrophobicContact CD1-CB 4.49Å; L546-V549 PolarHBondContact O-N 3.29Å; L546-A550 WeakPolarHBondContact O-CB 3.46Å; L546-A550 PolarHBondContact O-N 3.32Å
547	I	98.3	Very high	96.7	Very high	19 Å²	19	45.4 Å²	45.4	10%	0.097	24%	0.238	C	C	.	.	H	α-helix	trans	-62.2	-42.7	170.7	-67.6	163.6	0	0	0	110.1	T433 Y435 V525 L543 K544 V549 A550 L551	T433-I547 HydrophobicContact CG2-CD1 4.11Å; T433-I547 HydrophobicContact CG2-CG1 4.44Å; Y435-I547 HydrophobicContact CE2-CG2 3.94Å; V525-I547 HydrophobicContact CB-CG1 4.42Å; V525-I547 HydrophobicContact CG1-CG1 4.2Å; V525-I547 HydrophobicContact CG2-CG1 4.08Å; L543-I547 HydrophobicContact CB-CD1 3.65Å; L543-I547 HydrophobicContact CB-CG1 4.1Å; L543-I547 WeakPolarHBondContact O-CG1 3.22Å; L543-I547 PolarHBondContact O-N 3.39Å; K544-I547 PolarHBondContact O-N 2.88Å; I547-V549 VanDerWaalsContact C-N 3.34Å; I547-V549 PolarHBondContact O-N 3.49Å; I547-A550 WeakPolarHBondContact O-CB 3.31Å; I547-A550 PolarHBondContact O-N 3.23Å; I547-A550 VanDerWaalsContact O-N 3.09Å; I547-L551 HydrophobicContact CG2-CD1 3.86Å; I547-L551 HydrophobicContact CG2-CG 4.21Å; I547-L551 WeakPolarHBondContact O-CG 3.48Å; I547-L551 PolarHBondContact O-N 3.35Å
548	E	98	Very high	96.7	Very high	58 Å²	58	49.4 Å²	49.4	27%	0.271	25%	0.254	S	S	.	.	H	α-helix	trans	-60.2	-43.7	175.2	-72.4	171.4	170.1	0	0	111.3	K468 S469 K544 P545 L546 A550 D552	K468-E548 HydrophobicContact CB-CB 3.98Å; K468-E548 WeakPolarHBondContact CB-OE2 3.43Å; K468-E548 HydrophobicContact CD-CB 3.98Å; K468-E548 HydrophobicContact CG-CB 3.85Å; S469-E548 PolarHBondContact N-OE2 3.25Å; S469-E548 VanDerWaalsContact OG-CD 3.3Å; S469-E548 PolarHBondContact OG-OE1 3.01Å; S469-E548 PolarHBondContact OG-OE2 3.45Å; K544-E548 WeakPolarHBondContact CE-OE1 3.34Å; K544-E548 WeakPolarHBondContact O-CG 3.46Å; K544-E548 PolarHBondContact O-N 3.37Å; P545-E548 PolarHBondContact O-N 2.78Å; L546-E548 VanDerWaalsContact C-N 3.33Å; E548-A550 VanDerWaalsContact C-N 3.3Å; E548-A550 PolarHBondContact O-N 3.05Å; E548-D552 WeakPolarHBondContact O-CB 3.15Å; E548-D552 PolarHBondContact O-N 3.14Å; E548-D552 VanDerWaalsContact O-N 3.09Å
549	V	98.5	Very high	96.8	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-60.8	-41.9	172.6	176	0	0	0	0	111	F466 K468 F473 F501 L507 P545 L546 I547 L553	F466-V549 HydrophobicContact CB-CG1 3.91Å; F466-V549 HydrophobicContact CB-CG2 3.7Å; F466-V549 HydrophobicContact CD1-CG1 4.29Å; F466-V549 HydrophobicContact CD2-CG1 4.24Å; F466-V549 HydrophobicContact CG-CG1 3.89Å; K468-V549 HydrophobicContact CB-CG2 4.03Å; K468-V549 HydrophobicContact CG-CG2 3.56Å; F473-V549 HydrophobicContact CD2-CG2 4.01Å; F473-V549 HydrophobicContact CE2-CG2 4.42Å; F501-V549 HydrophobicContact CZ-CG1 4.29Å; L507-V549 HydrophobicContact CD1-CG1 4.11Å; P545-V549 WeakPolarHBondContact O-CG2 3.37Å; P545-V549 PolarHBondContact O-N 3.36Å; L546-V549 HydrophobicContact CD1-CB 4.49Å; L546-V549 PolarHBondContact O-N 3.29Å; I547-V549 VanDerWaalsContact C-N 3.34Å; I547-V549 PolarHBondContact O-N 3.49Å; V549-L553 HydrophobicContact CG1-CD1 3.82Å; V549-L553 HydrophobicContact CG1-CG 4.28Å; V549-L553 WeakPolarHBondContact O-CB 3.4Å; V549-L553 VanDerWaalsContact O-CG 3.27Å; V549-L553 WeakPolarHBondContact O-CG 3.28Å; V549-L553 PolarHBondContact O-N 3.2Å
550	A	98.4	Very high	96.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.7	-47.8	-177.1	0	0	0	0	0	112.9	L507 Y509 V523 V525 L546 I547 E548 L553 C554	L507-A550 HydrophobicContact CD1-CB 3.93Å; L507-A550 HydrophobicContact CD2-CB 3.53Å; L507-A550 HydrophobicContact CG-CB 4.32Å; Y509-A550 WeakPolarHBondContact OH-CA 3.38Å; Y509-A550 PolarHBondContact OH-O 2.97Å; V523-A550 HydrophobicContact CG1-CB 4.01Å; V525-A550 HydrophobicContact CG2-CB 4.25Å; L546-A550 WeakPolarHBondContact O-CB 3.46Å; L546-A550 PolarHBondContact O-N 3.32Å; I547-A550 WeakPolarHBondContact O-CB 3.31Å; I547-A550 PolarHBondContact O-N 3.23Å; I547-A550 VanDerWaalsContact O-N 3.09Å; E548-A550 VanDerWaalsContact C-N 3.3Å; E548-A550 PolarHBondContact O-N 3.05Å; A550-L553 PolarHBondContact O-N 3.27Å; A550-C554 PolarHBondContact O-N 3.23Å; A550-C554 PolarHBondContact O-SG 3.06Å
551	L	97.5	Very high	96.8	Very high	53 Å²	53	46 Å²	46	28%	0.277	23%	0.233	S	C	.	.	H	α-helix	trans	-70.7	-35	-178.2	-63.3	178.4	0	0	0	112	I547 E555 I556	I547-L551 HydrophobicContact CG2-CD1 3.86Å; I547-L551 HydrophobicContact CG2-CG 4.21Å; I547-L551 WeakPolarHBondContact O-CG 3.48Å; I547-L551 PolarHBondContact O-N 3.35Å; L551-E555 WeakPolarHBondContact O-CA 3.44Å; L551-E555 PolarHBondContact O-N 2.86Å; L551-I556 HydrophobicContact CD2-CG2 3.92Å
552	D	97.2	Very high	96.7	Very high	94 Å²	94	45.5 Å²	45.5	50%	0.503	23%	0.226	S	C	.	.	H	α-helix	trans	-66	-39.6	173.1	-81.1	11.4	0	0	0	111.9	K468 E548	K468-D552 WeakPolarHBondContact CE-OD2 3.4Å; K468-D552 IonicContact NZ-OD2 3.57Å; K468-D552 PolarHBondContact NZ-OD2 3.45Å; E548-D552 WeakPolarHBondContact O-CB 3.15Å; E548-D552 PolarHBondContact O-N 3.14Å; E548-D552 VanDerWaalsContact O-N 3.09Å
553	L	97.7	Very high	96.5	Very high	19 Å²	19	50.6 Å²	50.6	10%	0.099	25%	0.253	C	S	.	.	H	α-helix	trans	-66.5	-44.2	-179.2	-82.4	174.5	0	0	0	112.7	L452 F461 F466 L507 V549 A550	L452-L553 HydrophobicContact CD1-CB 4.25Å; L452-L553 WeakPolarHBondContact CD1-O 3.23Å; F461-L553 HydrophobicContact CE2-CD2 3.81Å; F461-L553 HydrophobicContact CZ-CD1 4.32Å; F461-L553 HydrophobicContact CZ-CD2 3.9Å; F466-L553 HydrophobicContact CE1-CD2 3.83Å; F466-L553 HydrophobicContact CE1-CG 4.44Å; F466-L553 HydrophobicContact CZ-CD2 3.68Å; F466-L553 HydrophobicContact CZ-CG 4.47Å; L507-L553 HydrophobicContact CD1-CD1 4Å; V549-L553 HydrophobicContact CG1-CD1 3.82Å; V549-L553 HydrophobicContact CG1-CG 4.28Å; V549-L553 WeakPolarHBondContact O-CB 3.4Å; V549-L553 VanDerWaalsContact O-CG 3.27Å; V549-L553 WeakPolarHBondContact O-CG 3.28Å; V549-L553 PolarHBondContact O-N 3.2Å; A550-L553 PolarHBondContact O-N 3.27Å
554	C	96.9	Very high	96.3	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.02	29%	0.288	C	S	.	.	H	α-helix	trans	-87.9	-13.3	-178	68	0	0	0	0	113.8	M448 L452 Y509 A550 I556	M448-C554 WeakPolarHBondContact CG-O 3.39Å; M448-C554 HydrophobicContact SD-CB 4.3Å; L452-C554 HydrophobicContact CD2-CB 3.95Å; Y509-C554 HydrophobicContact CD1-CB 3.95Å; Y509-C554 HydrophobicContact CE1-CB 3.63Å; A550-C554 PolarHBondContact O-N 3.23Å; A550-C554 PolarHBondContact O-SG 3.06Å; C554-I556 PolarHBondContact O-N 2.87Å; C554-I556 VanDerWaalsContact O-N 3.12Å
555	E	96.9	Very high	96.2	Very high	81 Å²	81	54.1 Å²	54.1	38%	0.379	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	35.1	-176.7	-60.3	177.7	63.9	0	0	112.6	L551 K557 K558 Y559	L551-E555 WeakPolarHBondContact O-CA 3.44Å; L551-E555 PolarHBondContact O-N 2.86Å; E555-K557 PolarHBondContact O-N 2.91Å; E555-K558 HydrophobicContact CB-CB 4.26Å; E555-K558 HydrophobicContact CB-CD 4.22Å; E555-K558 VanDerWaalsContact O-CB 3.23Å; E555-K558 WeakPolarHBondContact O-CB 3.31Å; E555-K558 PolarHBondContact O-N 3.2Å; E555-K558 WeakPolarHBondContact OE1-CD 3.5Å; E555-K558 IonicContact OE1-NZ 2.78Å; E555-K558 PolarHBondContact OE1-NZ 2.98Å; E555-K558 IonicContact OE2-NZ 3.73Å; E555-Y559 HydrophobicContact CB-CD2 4.41Å; E555-Y559 HydrophobicContact CB-CE2 4.14Å
556	I	95.6	Very high	95.9	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-54	-34.9	-164.5	-167.3	159.6	0	0	0	114.4	Y437 M448 V521 L551 C554 K558 Y559 T560	Y437-I556 HydrophobicContact CD1-CD1 3.9Å; Y437-I556 HydrophobicContact CD1-CG1 4.41Å; Y437-I556 HydrophobicContact CD2-CD1 3.37Å; Y437-I556 HydrophobicContact CE1-CD1 4.09Å; Y437-I556 HydrophobicContact CE1-CG1 4.49Å; Y437-I556 HydrophobicContact CE1-CG2 4.27Å; Y437-I556 HydrophobicContact CE2-CD1 3.6Å; Y437-I556 HydrophobicContact CG-CD1 3.52Å; Y437-I556 HydrophobicContact CG-CG1 4.45Å; M448-I556 HydrophobicContact SD-CB 4.02Å; M448-I556 HydrophobicContact SD-CD1 4.28Å; M448-I556 HydrophobicContact SD-CG1 3.81Å; V521-I556 HydrophobicContact CB-CD1 4.1Å; V521-I556 HydrophobicContact CG1-CD1 3.68Å; L551-I556 HydrophobicContact CD2-CG2 3.92Å; C554-I556 PolarHBondContact O-N 2.87Å; C554-I556 VanDerWaalsContact O-N 3.12Å; I556-K558 VanDerWaalsContact C-N 3.31Å; I556-K558 PolarHBondContact O-N 2.81Å; I556-Y559 PolarHBondContact O-N 3.05Å; I556-T560 HydrophobicContact CD1-CG2 4.5Å; I556-T560 HydrophobicContact CG1-CG2 3.72Å; I556-T560 WeakPolarHBondContact O-CB 3.4Å; I556-T560 PolarHBondContact O-N 2.85Å; I556-T560 PolarHBondContact O-OG1 3.04Å
557	K	95.6	Very high	95.6	Very high	123 Å²	123	56.6 Å²	56.6	54%	0.535	29%	0.285	S	S	.	.	H	α-helix	trans	-59.4	-40	177	179.2	178.9	177.4	142.4	0	112.2	E555 Y559 G561 R562 D563	E555-K557 PolarHBondContact O-N 2.91Å; K557-Y559 VanDerWaalsContact C-N 3.28Å; K557-Y559 PolarHBondContact O-N 3.47Å; K557-G561 WeakPolarHBondContact O-CA 3.26Å; K557-G561 PolarHBondContact O-N 2.63Å; K557-R562 WeakPolarHBondContact CA-O 3.48Å; K557-D563 WeakPolarHBondContact CD-OD1 3.45Å; K557-D563 WeakPolarHBondContact CE-OD1 3.44Å; K557-D563 VanDerWaalsContact CG-OD1 3.31Å; K557-D563 WeakPolarHBondContact CG-OD1 3.43Å; K557-D563 IonicContact NZ-OD1 3.92Å; K557-D563 PolarHBondContact NZ-OD1 2.87Å; K557-D563 IonicContact NZ-OD2 2.96Å; K557-D563 PolarHBondContact NZ-OD2 3.14Å; K557-D563 VanDerWaalsContact NZ-OD2 3.07Å
558	K	96.6	Very high	95.3	Very high	134 Å²	134	59.3 Å²	59.3	58%	0.583	30%	0.3	S	S	*	.	H	α-helix	trans	-62.2	-36.2	179.8	176	-174.1	175	-172.3	0	112.1	E555 I556	E555-K558 HydrophobicContact CB-CB 4.26Å; E555-K558 HydrophobicContact CB-CD 4.22Å; E555-K558 VanDerWaalsContact O-CB 3.23Å; E555-K558 WeakPolarHBondContact O-CB 3.31Å; E555-K558 PolarHBondContact O-N 3.2Å; E555-K558 WeakPolarHBondContact OE1-CD 3.5Å; E555-K558 IonicContact OE1-NZ 2.78Å; E555-K558 PolarHBondContact OE1-NZ 2.98Å; E555-K558 IonicContact OE2-NZ 3.73Å; I556-K558 VanDerWaalsContact C-N 3.31Å; I556-K558 PolarHBondContact O-N 2.81Å
559	Y	95.9	Very high	94.8	Very high	51 Å²	51	57.2 Å²	57.2	20%	0.2	29%	0.29	C	S	.	.	H	α-helix	trans	-92.4	-38.5	-175.9	-68	-88.7	0	0	0	112.8	A444 A447 M448 E555 I556 K557	A444-Y559 VanDerWaalsContact CB-O 3.27Å; A444-Y559 WeakPolarHBondContact CB-O 3.41Å; A444-Y559 WeakPolarHBondContact O-CD1 3.47Å; A447-Y559 HydrophobicContact CB-CD1 4.3Å; A447-Y559 HydrophobicContact CB-CE1 4.11Å; M448-Y559 HydrophobicContact CB-CD1 3.83Å; M448-Y559 HydrophobicContact CB-CD2 3.77Å; M448-Y559 HydrophobicContact CB-CE1 4.31Å; M448-Y559 HydrophobicContact CB-CE2 4.27Å; M448-Y559 HydrophobicContact CB-CG 3.53Å; M448-Y559 HydrophobicContact CG-CD2 3.57Å; M448-Y559 HydrophobicContact CG-CE2 4.08Å; M448-Y559 HydrophobicContact CG-CG 3.84Å; E555-Y559 HydrophobicContact CB-CD2 4.41Å; E555-Y559 HydrophobicContact CB-CE2 4.14Å; I556-Y559 PolarHBondContact O-N 3.05Å; K557-Y559 VanDerWaalsContact C-N 3.28Å; K557-Y559 PolarHBondContact O-N 3.47Å
560	T	92.9	Very high	94.7	Very high	23 Å²	23	60 Å²	60	14%	0.141	30%	0.304	C	S	.	.	H	α-helix	trans	-100.6	-15.7	-173	66.2	0	0	0	0	113.5	C440 I556 R562	C440-T560 HydrophobicContact CB-CG2 4.24Å; I556-T560 HydrophobicContact CD1-CG2 4.5Å; I556-T560 HydrophobicContact CG1-CG2 3.72Å; I556-T560 WeakPolarHBondContact O-CB 3.4Å; I556-T560 PolarHBondContact O-N 2.85Å; I556-T560 PolarHBondContact O-OG1 3.04Å; T560-R562 PolarHBondContact O-N 2.95Å; T560-R562 WeakPolarHBondContact OG1-CB 3.15Å; T560-R562 PolarHBondContact OG1-N 2.81Å
561	G	93.5	Very high	94.5	Very high	61 Å²	61	63.1 Å²	63.1	63%	0.629	32%	0.32	S	S	*	.			trans	67.8	6.3	-169.4	0	0	0	0	0	114.1	K557	K557-G561 WeakPolarHBondContact O-CA 3.26Å; K557-G561 PolarHBondContact O-N 2.63Å
562	R	93.1	Very high	94.3	Very high	99 Å²	99	63.7 Å²	63.7	37%	0.374	32%	0.323	S	S	.	.			trans	-92.7	131.2	-176.2	-57.8	-68.8	-168.8	163	3	111.2	Y437 E438 N439 K557 T560	Y437-R562 HydrophobicContact CD1-CB 3.68Å; Y437-R562 HydrophobicContact CD1-CG 4.19Å; Y437-R562 HydrophobicContact CE1-CB 3.97Å; E438-R562 PolarHBondContact O-NH2 2.75Å; N439-R562 PolarHBondContact O-NH2 2.92Å; K557-R562 WeakPolarHBondContact CA-O 3.48Å; T560-R562 PolarHBondContact O-N 2.95Å; T560-R562 WeakPolarHBondContact OG1-CB 3.15Å; T560-R562 PolarHBondContact OG1-N 2.81Å
563	D	91.2	Very high	94.1	Very high	113 Å²	113	61.9 Å²	61.9	60%	0.604	31%	0.312	S	S	*	.	S	Bend	trans	-93.9	-17.9	177.6	-72.5	-10.6	0	0	0	113.7	K557	K557-D563 WeakPolarHBondContact CD-OD1 3.45Å; K557-D563 WeakPolarHBondContact CE-OD1 3.44Å; K557-D563 VanDerWaalsContact CG-OD1 3.31Å; K557-D563 WeakPolarHBondContact CG-OD1 3.43Å; K557-D563 IonicContact NZ-OD1 3.92Å; K557-D563 PolarHBondContact NZ-OD1 2.87Å; K557-D563 IonicContact NZ-OD2 2.96Å; K557-D563 PolarHBondContact NZ-OD2 3.14Å; K557-D563 VanDerWaalsContact NZ-OD2 3.07Å
564	K	94.6	Very high	93.9	Very high	166 Å²	166	64.6 Å²	64.6	72%	0.722	33%	0.326	S	S	*	.	S	Bend	trans	-145.5	151.6	-178.6	62.2	-179.9	-178.3	177.3	0	110.3	Y437	Y437-K564 VanDerWaalsContact CE1-C 3.49Å; Y437-K564 WeakPolarHBondContact CE1-O 3.31Å
565	P	94.7	Very high	93.7	Very high	20 Å²	20	68.7 Å²	68.7	13%	0.13	35%	0.346	C	S	.	.			trans	-65.5	155.7	173.2	29.6	-36.8	0	0	0	111.5	Y435 Y437 I568	Y435-P565 HydrophobicContact CD1-CG 4.21Å; Y435-P565 HydrophobicContact CD2-CB 4.2Å; Y435-P565 HydrophobicContact CD2-CG 3.73Å; Y435-P565 HydrophobicContact CE2-CG 4.08Å; Y435-P565 HydrophobicContact CG-CB 4.01Å; Y435-P565 HydrophobicContact CG-CG 3.79Å; Y437-P565 HydrophobicContact CD2-CB 4.34Å; Y437-P565 HydrophobicContact CE1-CB 4.43Å; Y437-P565 HydrophobicContact CE2-CB 3.99Å; P565-I568 HydrophobicContact CB-CG1 4.27Å; P565-I568 HydrophobicContact CG-CD1 3.74Å; P565-I568 HydrophobicContact CG-CG1 3.46Å; P565-I568 VanDerWaalsContact CG-CG1 3.46Å
566	T	92.5	Very high	93.5	Very high	62 Å²	62	67.8 Å²	67.8	38%	0.38	34%	0.344	S	S	.	.	S	Bend	trans	-74.4	-42.9	171.5	-51.4	0	0	0	0	110.5	D436 E438	D436-T566 PolarHBondContact O-N 3.49Å; E438-T566 HydrophobicContact CB-CG2 4.34Å; E438-T566 HydrophobicContact CG-CG2 4.42Å; E438-T566 PolarHBondContact N-OG1 2.82Å
567	V	91.6	Very high	93.3	Very high	2 Å²	2	72.6 Å²	72.6	1%	0.012	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	139.2	179.8	-178.1	0	0	0	0	109.3	Y274 D436	Y274-V567 HydrophobicContact CE2-CG2 4.15Å; D436-V567 HydrophobicContact CB-CB 4.16Å; D436-V567 PolarHBondContact N-O 3.27Å; D436-V567 PolarHBondContact O-N 3.49Å
568	I	92.4	Very high	93.1	Very high	77 Å²	77	68.4 Å²	68.4	40%	0.395	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129	171	-58.8	177.1	0	0	0	107.1	T433 R434 Y435 P565	T433-I568 WeakPolarHBondContact OG1-CG2 3.28Å; R434-I568 WeakPolarHBondContact O-CA 3.48Å; Y435-I568 HydrophobicContact CD1-CB 4.41Å; Y435-I568 HydrophobicContact CD1-CD1 4.47Å; Y435-I568 HydrophobicContact CD1-CG1 3.93Å; Y435-I568 HydrophobicContact CD1-CG2 4Å; Y435-I568 HydrophobicContact CE1-CB 4.39Å; Y435-I568 HydrophobicContact CE1-CD1 3.94Å; Y435-I568 HydrophobicContact CE1-CG1 3.88Å; Y435-I568 HydrophobicContact CE1-CG2 3.72Å; P565-I568 HydrophobicContact CB-CG1 4.27Å; P565-I568 HydrophobicContact CG-CD1 3.74Å; P565-I568 HydrophobicContact CG-CG1 3.46Å; P565-I568 VanDerWaalsContact CG-CG1 3.46Å
569	T	88.7	Confident	92.8	Very high	13 Å²	13	62.5 Å²	62.5	8%	0.08	33%	0.333	C	S	.	.			trans	-112	0	172.4	-59.4	0	0	0	0	110.3	F386 T433 R434	F386-T569 HydrophobicContact CE1-CG2 4.49Å; F386-T569 HydrophobicContact CE2-CG2 3.68Å; F386-T569 HydrophobicContact CZ-CG2 3.52Å; T433-T569 CarbonylContact C-O 3.59Å; T433-T569 WeakPolarHBondContact CA-O 3.22Å; T433-T569 WeakPolarHBondContact CB-O 3.39Å; T433-T569 PolarHBondContact OG1-O 3.33Å; R434-T569 PolarHBondContact N-O 3.27Å; R434-T569 PolarHBondContact NH2-OG1 2.98Å; R434-T569 PolarHBondContact O-N 3.01Å

Retrieved 569 of 569 residues in 472.1 ms (Link to these results)

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