A0A061IMX3_CRIGR Loading...

Inositol-3-phosphate synthase 1

Key enzyme in myo-inositol biosynthesis pathway that catalyzes the conversion of glucose 6-phosphate to 1-myo-inositol 1-phosphate in a NAD-dependent manner. Rate-limiting enzyme in the synthesis of all inositol-containing compounds.

AlphaFold DB , UniProt , Accession A0A061IMX3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Isyna1, Length 558 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.9	Very low	74.9	Confident	189 Å²	189	107.8 Å²	107.8	93%	0.931	60%	0.596	S	S	*	*				0	104.4	0	-146.8	-176.7	-75.3	0	0	104.6
2	E	42.2	Very low	76.7	Confident	176 Å²	176	109.4 Å²	109.4	82%	0.822	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-57.6	145.9	170.6	-74.2	177.1	158.9	0	0	108.3	A4	E2-A4 PolarHBondContact O-N 3.16Å
3	P	50.1	Low	78.3	Confident	115 Å²	115	105.5 Å²	105.5	75%	0.747	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-53.2	143	175	22.7	-31.7	0	0	0	109.6	V5	P3-V5 PolarHBondContact O-N 3.18Å; P3-V5 VanDerWaalsContact O-N 3.12Å
4	A	62.7	Low	79.7	Confident	99 Å²	99	99 Å²	99	82%	0.818	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-53.5	123.3	175.4	0	0	0	0	0	108.8	E2 E6	E2-A4 PolarHBondContact O-N 3.16Å; A4-E6 PolarHBondContact O-N 3.19Å; A4-E6 VanDerWaalsContact O-N 3.09Å
5	V	74.7	Confident	80.9	Confident	76 Å²	76	97.9 Å²	97.9	46%	0.461	55%	0.552	S	S	.	*			trans	-67.8	109.9	178.1	178.8	0	0	0	0	107.4	P3 I7 V121	P3-V5 PolarHBondContact O-N 3.18Å; P3-V5 VanDerWaalsContact O-N 3.12Å; V5-I7 HydrophobicContact CG1-CG1 4.48Å; V5-V121 HydrophobicContact CG1-CG1 4.36Å
6	E	83.3	Confident	81.9	Confident	160 Å²	160	95.6 Å²	95.6	75%	0.748	53%	0.532	S	S	*	.			trans	-83.3	126.6	173.8	-172.6	170.7	-162.4	0	0	109.3	A4	A4-E6 PolarHBondContact O-N 3.19Å; A4-E6 VanDerWaalsContact O-N 3.09Å
7	I	89.6	Confident	82.7	Confident	29 Å²	29	92.1 Å²	92.1	15%	0.149	52%	0.516	C	S	.	.			trans	-105.5	121.8	177.5	-57.2	174.7	0	0	0	108.4	V5 L110 V121 A125 L126	V5-I7 HydrophobicContact CG1-CG1 4.48Å; I7-L110 HydrophobicContact CD1-CD1 4.12Å; I7-L110 HydrophobicContact CD1-CD2 4.4Å; I7-L110 HydrophobicContact CG1-CD1 4.41Å; I7-L110 HydrophobicContact CG2-CD1 4.2Å; I7-V121 HydrophobicContact CD1-CB 3.94Å; I7-V121 HydrophobicContact CD1-CG1 4.16Å; I7-V121 HydrophobicContact CD1-CG2 3.52Å; I7-A125 HydrophobicContact CD1-CB 3.65Å; I7-A125 WeakPolarHBondContact CD1-O 3.43Å; I7-A125 HydrophobicContact CG1-CB 4.15Å; I7-L126 HydrophobicContact CD1-CD2 4.23Å
8	L	93.3	Very high	83.4	Confident	125 Å²	125	91.4 Å²	91.4	65%	0.654	52%	0.524	S	S	*	.			trans	-117.3	120.1	172.3	-171.9	77.4	0	0	0	109	Y16	L8-Y16 HydrophobicContact CD1-CD1 4.25Å; L8-Y16 HydrophobicContact CD1-CD2 3.58Å; L8-Y16 HydrophobicContact CD1-CE1 4.28Å; L8-Y16 HydrophobicContact CD1-CE2 3.61Å; L8-Y16 HydrophobicContact CD1-CG 3.91Å; L8-Y16 HydrophobicContact CG-CE2 4.34Å
9	V	95.6	Very high	84	Confident	20 Å²	20	93.1 Å²	93.1	12%	0.121	53%	0.527	C	S	.	.			trans	-89.8	111	174	-179.9	0	0	0	0	108.6	S11 V14 Y16 V494 L496	V9-S11 PolarHBondContact O-N 3.45Å; V9-V14 HydrophobicContact CG1-CG2 4.3Å; V9-Y16 PolarHBondContact N-OH 3.48Å; V9-V494 WeakPolarHBondContact CG1-O 3.5Å; V9-V494 HydrophobicContact CG2-CB 3.96Å; V9-V494 HydrophobicContact CG2-CG2 4.08Å; V9-V494 WeakPolarHBondContact CG2-O 3.39Å; V9-L496 HydrophobicContact CG1-CD2 3.93Å; V9-L496 HydrophobicContact CG1-CG 4.34Å; V9-L496 HydrophobicContact CG2-CD1 4.01Å; V9-L496 HydrophobicContact CG2-CD2 4.13Å; V9-L496 HydrophobicContact CG2-CG 3.9Å
10	D	95.2	Very high	84.7	Confident	166 Å²	166	88.4 Å²	88.4	89%	0.888	50%	0.501	S	S	*	.			trans	-81.1	92.4	174.4	-171.7	10.7	0	0	0	109.8
11	S	95.9	Very high	85.4	Confident	31 Å²	31	84.4 Å²	84.4	22%	0.217	48%	0.478	C	S	.	.			trans	-145.9	139.4	-179.3	173.9	0	0	0	0	110.6	V9 D13 V14	V9-S11 PolarHBondContact O-N 3.45Å; S11-D13 PolarHBondContact O-N 2.94Å; S11-D13 VanDerWaalsContact O-N 3.13Å; S11-D13 PolarHBondContact OG-N 2.95Å; S11-V14 PolarHBondContact O-N 2.77Å; S11-V14 VanDerWaalsContact O-N 3.07Å
12	P	96.3	Very high	88	Confident	127 Å²	127	78.9 Å²	78.9	83%	0.825	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-15	174.1	29.4	-36.8	0	0	0	113.3
13	D	96.8	Very high	90.7	Very high	59 Å²	59	70.5 Å²	70.5	32%	0.316	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	1.4	177.1	-77.3	-55.7	0	0	0	113.1	S11 A23 R24 R47	S11-D13 PolarHBondContact O-N 2.94Å; S11-D13 VanDerWaalsContact O-N 3.13Å; S11-D13 PolarHBondContact OG-N 2.95Å; D13-A23 CarbonylContact O-C 3.54Å; D13-A23 WeakPolarHBondContact O-CA 3.29Å; D13-R24 HydrophobicContact CB-CB 3.99Å; D13-R24 PolarHBondContact O-N 2.92Å; D13-R47 IonicContact OD1-NH2 3.05Å; D13-R47 PolarHBondContact OD1-NH2 3.15Å
14	V	97.9	Very high	93	Very high	14 Å²	14	71.4 Å²	71.4	9%	0.085	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130.6	-179.3	-172.3	0	0	0	0	110.8	V9 S11 Y16 I21 E22 A23 V494	V9-V14 HydrophobicContact CG1-CG2 4.3Å; S11-V14 PolarHBondContact O-N 2.77Å; S11-V14 VanDerWaalsContact O-N 3.07Å; V14-Y16 HydrophobicContact CB-CE2 4.35Å; V14-Y16 HydrophobicContact CG1-CD2 3.96Å; V14-Y16 HydrophobicContact CG1-CE2 3.38Å; V14-I21 HydrophobicContact CG1-CG2 4.11Å; V14-E22 CarbonylContact C-O 3.5Å; V14-E22 VanDerWaalsContact CA-O 3.31Å; V14-E22 WeakPolarHBondContact CA-O 3.1Å; V14-A23 HydrophobicContact CG2-CB 4.29Å; V14-V494 WeakPolarHBondContact CG2-O 3.42Å
15	V	97.8	Very high	94.7	Very high	83 Å²	83	68 Å²	68	50%	0.503	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.7	176.5	-178	0	0	0	0	109.5	E22	V15-E22 HydrophobicContact CB-CB 4.5Å; V15-E22 PolarHBondContact N-O 3.07Å; V15-E22 PolarHBondContact O-N 3.13Å
16	Y	97.3	Very high	95.7	Very high	60 Å²	60	69 Å²	69	24%	0.235	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	116.9	173.6	-66	-94.5	0	0	0	109.6	L8 V9 V14 I21	L8-Y16 HydrophobicContact CD1-CD1 4.25Å; L8-Y16 HydrophobicContact CD1-CD2 3.58Å; L8-Y16 HydrophobicContact CD1-CE1 4.28Å; L8-Y16 HydrophobicContact CD1-CE2 3.61Å; L8-Y16 HydrophobicContact CD1-CG 3.91Å; L8-Y16 HydrophobicContact CG-CE2 4.34Å; V9-Y16 PolarHBondContact N-OH 3.48Å; V14-Y16 HydrophobicContact CB-CE2 4.35Å; V14-Y16 HydrophobicContact CG1-CD2 3.96Å; V14-Y16 HydrophobicContact CG1-CE2 3.38Å; Y16-I21 HydrophobicContact CD1-CD1 4.22Å; Y16-I21 HydrophobicContact CD1-CG1 3.79Å; Y16-I21 HydrophobicContact CD1-CG2 4.22Å; Y16-I21 HydrophobicContact CE1-CD1 3.87Å; Y16-I21 HydrophobicContact CE1-CG1 3.89Å; Y16-I21 HydrophobicContact CE1-CG2 3.93Å
17	S	96.3	Very high	96.4	Very high	36 Å²	36	66.6 Å²	66.6	25%	0.252	35%	0.35	S	S	.	.			trans	-110.8	175.6	170.6	63.3	0	0	0	0	110.4	E19 A20 R54	S17-E19 WeakPolarHBondContact CB-OE2 3.45Å; S17-E19 PolarHBondContact O-N 2.83Å; S17-E19 PolarHBondContact OG-N 3.22Å; S17-A20 PolarHBondContact N-O 3.05Å; S17-A20 PolarHBondContact OG-N 3.19Å; S17-A20 PolarHBondContact OG-O 2.62Å; S17-R54 WeakPolarHBondContact O-CD 3.31Å; S17-R54 PolarHBondContact O-NH1 3.43Å
18	A	93.9	Very high	96.7	Very high	81 Å²	81	74 Å²	74	67%	0.669	38%	0.376	S	S	*	.	S	Bend	trans	-66.1	-31.3	172.5	0	0	0	0	0	111.1
19	E	96.3	Very high	96.8	Very high	122 Å²	122	71 Å²	71	57%	0.57	36%	0.363	S	S	*	.	S	Bend	trans	-87.1	-42.3	-172.5	-60.5	72.1	-159.5	0	0	112.4	S17 A53 R54	S17-E19 WeakPolarHBondContact CB-OE2 3.45Å; S17-E19 PolarHBondContact O-N 2.83Å; S17-E19 PolarHBondContact OG-N 3.22Å; E19-A53 WeakPolarHBondContact O-CA 3.49Å; E19-R54 PolarHBondContact O-N 2.94Å
20	A	97.6	Very high	96.8	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	160.4	-171.1	0	0	0	0	0	114.2	S17 R51 T52	S17-A20 PolarHBondContact N-O 3.05Å; S17-A20 PolarHBondContact OG-N 3.19Å; S17-A20 PolarHBondContact OG-O 2.62Å; A20-R51 HydrophobicContact CB-CG 3.9Å; A20-R51 VanDerWaalsContact CB-CZ 3.49Å; A20-T52 CarbonylContact C-O 3.09Å; A20-T52 WeakPolarHBondContact CA-O 3.49Å; A20-T52 WeakPolarHBondContact CB-O 3.08Å
21	I	98.2	Very high	96.8	Very high	5 Å²	5	74.2 Å²	74.2	3%	0.026	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.9	162.4	-53.7	171.9	0	0	0	106.7	V14 Y16 R51 T52 R54 L127	V14-I21 HydrophobicContact CG1-CG2 4.11Å; Y16-I21 HydrophobicContact CD1-CD1 4.22Å; Y16-I21 HydrophobicContact CD1-CG1 3.79Å; Y16-I21 HydrophobicContact CD1-CG2 4.22Å; Y16-I21 HydrophobicContact CE1-CD1 3.87Å; Y16-I21 HydrophobicContact CE1-CG1 3.89Å; Y16-I21 HydrophobicContact CE1-CG2 3.93Å; I21-R51 CarbonylContact O-C 3.17Å; I21-R51 WeakPolarHBondContact O-CA 3.45Å; I21-T52 PolarHBondContact N-O 3Å; I21-T52 PolarHBondContact O-N 3.04Å; I21-R54 HydrophobicContact CD1-CG 4.45Å; I21-R54 HydrophobicContact CG1-CG 3.87Å; I21-L127 HydrophobicContact CD1-CD2 3.82Å
22	E	98.2	Very high	96.8	Very high	73 Å²	73	76.9 Å²	76.9	34%	0.341	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.1	172.2	-65.3	-172.1	154.4	0	0	109.5	V14 V15 F50 R51	V14-E22 CarbonylContact C-O 3.5Å; V14-E22 VanDerWaalsContact CA-O 3.31Å; V14-E22 WeakPolarHBondContact CA-O 3.1Å; V15-E22 HydrophobicContact CB-CB 4.5Å; V15-E22 PolarHBondContact N-O 3.07Å; V15-E22 PolarHBondContact O-N 3.13Å; E22-F50 CarbonylContact C-O 3.54Å; E22-F50 VanDerWaalsContact CA-O 3.29Å; E22-F50 WeakPolarHBondContact CA-O 3.21Å; E22-R51 HydrophobicContact CG-CB 4.27Å; E22-R51 HydrophobicContact CG-CG 4.08Å; E22-R51 IonicContact OE1-CZ 3.68Å; E22-R51 IonicContact OE1-NH1 2.62Å; E22-R51 PolarHBondContact OE1-NH1 2.84Å
23	A	98.3	Very high	96.7	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	123.4	-177.7	0	0	0	0	0	110.7	D13 V14 T49 F50 C493	D13-A23 CarbonylContact O-C 3.54Å; D13-A23 WeakPolarHBondContact O-CA 3.29Å; V14-A23 HydrophobicContact CG2-CB 4.29Å; A23-T49 WeakPolarHBondContact O-CA 3.32Å; A23-F50 PolarHBondContact N-O 3.04Å; A23-F50 PolarHBondContact O-N 3.07Å; A23-C493 WeakPolarHBondContact CB-O 3.35Å
24	R	97.8	Very high	96.6	Very high	134 Å²	134	78.9 Å²	78.9	51%	0.506	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	126	168.2	-64.1	178.7	178.8	166.4	-3	108.4	D13 F48	D13-R24 HydrophobicContact CB-CB 3.99Å; D13-R24 PolarHBondContact O-N 2.92Å; R24-F48 CarbonylContact C-O 3.53Å; R24-F48 WeakPolarHBondContact CA-O 3.34Å
25	Y	97.6	Very high	96.3	Very high	27 Å²	27	83.1 Å²	83.1	11%	0.106	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	127.2	-172.7	177.8	-96.7	0	0	0	110.9	Y27 F48 F50 A492 P498	Y25-Y27 HydrophobicContact CE1-CD2 4.17Å; Y25-Y27 PolarHBondContact O-N 3.21Å; Y25-F48 PolarHBondContact N-O 3.01Å; Y25-F48 PolarHBondContact O-N 2.77Å; Y25-F50 AromaticContact CD1-CE2 3.96Å; Y25-F50 HydrophobicContact CD1-CE2 3.96Å; Y25-F50 HydrophobicContact CG-CE2 4.22Å; Y25-A492 HydrophobicContact CD1-CB 3.89Å; Y25-A492 HydrophobicContact CD2-CB 3.74Å; Y25-A492 HydrophobicContact CE1-CB 3.96Å; Y25-A492 HydrophobicContact CE2-CB 3.82Å; Y25-A492 HydrophobicContact CG-CB 3.78Å; Y25-P498 VanDerWaalsContact OH-CD 3.26Å; Y25-P498 WeakPolarHBondContact OH-CD 3.49Å; Y25-P498 WeakPolarHBondContact OH-CG 3.39Å
26	E	97.1	Very high	95.9	Very high	97 Å²	97	83.5 Å²	83.5	45%	0.453	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	102.3	175.9	-169.1	-177.3	-151.6	0	0	110.1	R28 A45	E26-R28 HydrophobicContact CG-CG 4.21Å; E26-R28 PolarHBondContact O-N 3.04Å; E26-R28 IonicContact OE2-CZ 3.21Å; E26-R28 IonicContact OE2-NE 2.77Å; E26-R28 PolarHBondContact OE2-NE 2.78Å; E26-R28 IonicContact OE2-NH2 2.7Å; E26-R28 PolarHBondContact OE2-NH2 3.48Å; E26-A45 HydrophobicContact CG-CB 4.01Å; E26-A45 WeakPolarHBondContact OE1-CB 3.39Å
27	Y	96.8	Very high	95.5	Very high	110 Å²	110	83.5 Å²	83.5	43%	0.431	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	106.7	175.7	-179.5	-118.9	0	0	0	110.4	Y25 T29 A45 T46 F48	Y25-Y27 HydrophobicContact CE1-CD2 4.17Å; Y25-Y27 PolarHBondContact O-N 3.21Å; Y27-T29 HydrophobicContact CE1-CG2 4.02Å; Y27-A45 WeakPolarHBondContact O-CA 3.42Å; Y27-T46 WeakPolarHBondContact CB-O 3.41Å; Y27-T46 PolarHBondContact N-O 3.04Å; Y27-T46 PolarHBondContact O-N 2.89Å; Y27-F48 HydrophobicContact CD1-CE2 4.08Å; Y27-F48 HydrophobicContact CG-CE2 4.22Å
28	R	96.2	Very high	95.4	Very high	183 Å²	183	86.2 Å²	86.2	69%	0.691	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	130	177.6	-62	-178.9	-178.7	177.6	0	110.6	E26 T44 A45	E26-R28 HydrophobicContact CG-CG 4.21Å; E26-R28 PolarHBondContact O-N 3.04Å; E26-R28 IonicContact OE2-CZ 3.21Å; E26-R28 IonicContact OE2-NE 2.77Å; E26-R28 PolarHBondContact OE2-NE 2.78Å; E26-R28 IonicContact OE2-NH2 2.7Å; E26-R28 PolarHBondContact OE2-NH2 3.48Å; R28-T44 WeakPolarHBondContact CA-O 3.18Å; R28-A45 HydrophobicContact CG-CB 4.28Å
29	T	95.3	Very high	95.5	Very high	62 Å²	62	86.8 Å²	86.8	38%	0.38	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	-171.9	176.5	-168	0	0	0	0	110.1	Y27 T44	Y27-T29 HydrophobicContact CE1-CG2 4.02Å; T29-T44 VanDerWaalsContact CG2-OG1 3.31Å; T29-T44 WeakPolarHBondContact CG2-OG1 3.46Å; T29-T44 PolarHBondContact N-O 2.86Å; T29-T44 PolarHBondContact O-N 2.84Å; T29-T44 VanDerWaalsContact O-O 3.07Å; T29-T44 PolarHBondContact O-OG1 2.92Å
30	T	96.4	Very high	95.5	Very high	73 Å²	73	88.1 Å²	88.1	45%	0.448	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	131	-175.4	-56.9	0	0	0	0	110.5	V32 V41 Q42	T30-V32 HydrophobicContact CG2-CG2 4.27Å; T30-V41 HydrophobicContact CG2-CB 4.45Å; T30-V41 HydrophobicContact CG2-CG1 3.18Å; T30-Q42 WeakPolarHBondContact CA-O 3.44Å
31	R	95.1	Very high	95.4	Very high	182 Å²	182	92.5 Å²	92.5	69%	0.687	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	132.4	169.2	-175.9	177.5	-113.2	-179.2	-2.3	109.6	Q42 T44	R31-Q42 PolarHBondContact N-O 3.36Å; R31-Q42 PolarHBondContact O-N 3.25Å; R31-T44 HydrophobicContact CB-CG2 4.4Å
32	V	95.5	Very high	95.4	Very high	86 Å²	86	97.9 Å²	97.9	52%	0.521	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.9	179	-174.8	0	0	0	0	109.5	T30 L39 R40 V41	T30-V32 HydrophobicContact CG2-CG2 4.27Å; V32-L39 HydrophobicContact CG1-CD2 4.09Å; V32-R40 WeakPolarHBondContact CA-O 3.4Å; V32-V41 HydrophobicContact CG1-CG2 4.49Å; V32-V41 HydrophobicContact CG2-CG2 4.47Å
33	S	95.3	Very high	95.3	Very high	53 Å²	53	99.5 Å²	99.5	37%	0.371	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	156	170.6	67	0	0	0	0	111	L39 R40	S33-L39 CarbonylContact O-C 3.56Å; S33-L39 WeakPolarHBondContact O-CA 3.41Å; S33-R40 PolarHBondContact N-O 2.82Å; S33-R40 PolarHBondContact O-N 3.11Å
34	R	93.6	Very high	95.3	Very high	175 Å²	175	101.8 Å²	101.8	66%	0.66	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.3	177.9	-173.7	179.9	-71.9	-104.5	4.1	109.5	V38 L39	R34-V38 WeakPolarHBondContact CA-O 3.49Å; R34-L39 HydrophobicContact CB-CD2 4.1Å; R34-L39 HydrophobicContact CG-CD2 4.31Å
35	E	91.9	Very high	95.2	Very high	104 Å²	104	98 Å²	98	49%	0.486	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	124.3	177.5	-73.5	177	-170.4	0	0	109.5	G37 V38 R40	E35-G37 PolarHBondContact O-N 2.81Å; E35-G37 VanDerWaalsContact O-N 3.15Å; E35-V38 PolarHBondContact N-O 2.86Å; E35-V38 PolarHBondContact O-N 3.47Å; E35-R40 IonicContact OE2-CZ 3.76Å; E35-R40 IonicContact OE2-NE 2.72Å; E35-R40 PolarHBondContact OE2-NE 2.84Å; E35-R40 IonicContact OE2-NH2 3.84Å; E35-R40 PolarHBondContact OE2-NH2 2.92Å
36	G	88.7	Confident	95.2	Very high	91 Å²	91	99.1 Å²	99.1	94%	0.938	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	30	177.8	0	0	0	0	0	114.6	V38	G36-V38 VanDerWaalsContact C-N 3.27Å; G36-V38 PolarHBondContact O-N 2.81Å
37	G	89.8	Confident	95.2	Very high	59 Å²	59	99.2 Å²	99.2	61%	0.608	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	-6.5	-176.5	0	0	0	0	0	115.1	E35	E35-G37 PolarHBondContact O-N 2.81Å; E35-G37 VanDerWaalsContact O-N 3.15Å
38	V	94.7	Very high	95.3	Very high	94 Å²	94	95.7 Å²	95.7	57%	0.57	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	135.3	176.8	-178.3	0	0	0	0	110.1	R34 E35 G36	R34-V38 WeakPolarHBondContact CA-O 3.49Å; E35-V38 PolarHBondContact N-O 2.86Å; E35-V38 PolarHBondContact O-N 3.47Å; G36-V38 VanDerWaalsContact C-N 3.27Å; G36-V38 PolarHBondContact O-N 2.81Å
39	L	95.6	Very high	95.4	Very high	93 Å²	93	88.9 Å²	88.9	49%	0.487	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	114.7	168.8	-67.8	176.4	0	0	0	109.2	V32 S33 R34	V32-L39 HydrophobicContact CG1-CD2 4.09Å; S33-L39 CarbonylContact O-C 3.56Å; S33-L39 WeakPolarHBondContact O-CA 3.41Å; R34-L39 HydrophobicContact CB-CD2 4.1Å; R34-L39 HydrophobicContact CG-CD2 4.31Å
40	R	95.6	Very high	95.5	Very high	149 Å²	149	86.8 Å²	86.8	56%	0.562	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	126.1	168.5	-64.8	-173.6	-174.7	-86.6	2.7	108.6	V32 S33 E35	V32-R40 WeakPolarHBondContact CA-O 3.4Å; S33-R40 PolarHBondContact N-O 2.82Å; S33-R40 PolarHBondContact O-N 3.11Å; E35-R40 IonicContact OE2-CZ 3.76Å; E35-R40 IonicContact OE2-NE 2.72Å; E35-R40 PolarHBondContact OE2-NE 2.84Å; E35-R40 IonicContact OE2-NH2 3.84Å; E35-R40 PolarHBondContact OE2-NH2 2.92Å
41	V	96.7	Very high	95.6	Very high	92 Å²	92	87.5 Å²	87.5	56%	0.558	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	113.5	-174.3	-176.5	0	0	0	0	108.1	T30 V32	T30-V41 HydrophobicContact CG2-CB 4.45Å; T30-V41 HydrophobicContact CG2-CG1 3.18Å; V32-V41 HydrophobicContact CG1-CG2 4.49Å; V32-V41 HydrophobicContact CG2-CG2 4.47Å
42	Q	97.1	Very high	95.8	Very high	119 Å²	119	78.8 Å²	78.8	56%	0.556	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	112.4	-176.7	-176.4	178.6	4.3	0	0	110	T30 R31 T44	T30-Q42 WeakPolarHBondContact CA-O 3.44Å; R31-Q42 PolarHBondContact N-O 3.36Å; R31-Q42 PolarHBondContact O-N 3.25Å; Q42-T44 HydrophobicContact CG-CG2 4.38Å
43	P	97.1	Very high	95.9	Very high	107 Å²	107	76.4 Å²	76.4	70%	0.695	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	134.9	168.5	-20	32.6	0	0	0	110.4
44	T	96.8	Very high	96	Very high	47 Å²	47	77.7 Å²	77.7	29%	0.288	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.4	177.6	59.1	0	0	0	0	110.2	R28 T29 R31 Q42	R28-T44 WeakPolarHBondContact CA-O 3.18Å; T29-T44 VanDerWaalsContact CG2-OG1 3.31Å; T29-T44 WeakPolarHBondContact CG2-OG1 3.46Å; T29-T44 PolarHBondContact N-O 2.86Å; T29-T44 PolarHBondContact O-N 2.84Å; T29-T44 VanDerWaalsContact O-O 3.07Å; T29-T44 PolarHBondContact O-OG1 2.92Å; R31-T44 HydrophobicContact CB-CG2 4.4Å; Q42-T44 HydrophobicContact CG-CG2 4.38Å
45	A	96.8	Very high	96.1	Very high	55 Å²	55	77 Å²	77	46%	0.455	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.4	175.3	0	0	0	0	0	109.1	E26 Y27 R28	E26-A45 HydrophobicContact CG-CB 4.01Å; E26-A45 WeakPolarHBondContact OE1-CB 3.39Å; Y27-A45 WeakPolarHBondContact O-CA 3.42Å; R28-A45 HydrophobicContact CG-CB 4.28Å
46	T	97	Very high	96.3	Very high	51 Å²	51	74.7 Å²	74.7	31%	0.313	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.7	174.3	-55	0	0	0	0	108	Y27 F48 T444	Y27-T46 WeakPolarHBondContact CB-O 3.41Å; Y27-T46 PolarHBondContact N-O 3.04Å; Y27-T46 PolarHBondContact O-N 2.89Å; T46-F48 HydrophobicContact CG2-CD2 4.28Å; T46-F48 HydrophobicContact CG2-CE2 3.81Å; T46-F48 HydrophobicContact CG2-CZ 4.46Å; T46-T444 HydrophobicContact CG2-CG2 4Å
47	R	97.6	Very high	96.8	Very high	98 Å²	98	71.1 Å²	71.1	37%	0.37	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	126	177.2	-165.7	178.9	-165.4	162	6	109.5	D13 T444 D445	D13-R47 IonicContact OD1-NH2 3.05Å; D13-R47 PolarHBondContact OD1-NH2 3.15Å; R47-T444 VanDerWaalsContact O-CA 3.31Å; R47-T444 WeakPolarHBondContact O-CA 3.3Å; R47-D445 WeakPolarHBondContact CB-OD2 3.44Å; R47-D445 WeakPolarHBondContact CD-OD2 3.13Å; R47-D445 PolarHBondContact O-N 3.1Å
48	F	98.2	Very high	97.2	Very high	37 Å²	37	74.6 Å²	74.6	16%	0.162	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	147.7	172.3	-76.6	-101.3	0	0	0	109.7	R24 Y25 Y27 T46 F50 F442 C443 T444	R24-F48 CarbonylContact C-O 3.53Å; R24-F48 WeakPolarHBondContact CA-O 3.34Å; Y25-F48 PolarHBondContact N-O 3.01Å; Y25-F48 PolarHBondContact O-N 2.77Å; Y27-F48 HydrophobicContact CD1-CE2 4.08Å; Y27-F48 HydrophobicContact CG-CE2 4.22Å; T46-F48 HydrophobicContact CG2-CD2 4.28Å; T46-F48 HydrophobicContact CG2-CE2 3.81Å; T46-F48 HydrophobicContact CG2-CZ 4.46Å; F48-F50 HydrophobicContact CB-CD2 4Å; F48-F50 HydrophobicContact CB-CE2 3.56Å; F48-F50 HydrophobicContact CB-CZ 4.21Å; F48-F50 HydrophobicContact CD1-CE2 4.46Å; F48-F50 HydrophobicContact CD1-CZ 4.27Å; F48-F50 HydrophobicContact CG-CE2 4.13Å; F48-F50 HydrophobicContact CG-CZ 4.34Å; F48-F442 HydrophobicContact CD1-CB 4.37Å; F48-F442 AromaticContact CD1-CD2 3.86Å; F48-F442 HydrophobicContact CD1-CD2 3.86Å; F48-F442 HydrophobicContact CD1-CG 4.36Å; F48-F442 AromaticContact CE1-CD2 3.85Å; F48-F442 HydrophobicContact CE1-CD2 3.85Å; F48-F442 HydrophobicContact CE1-CE2 4.19Å; F48-C443 CarbonylContact C-O 3.58Å; F48-C443 VanDerWaalsContact CA-O 3.3Å; F48-C443 WeakPolarHBondContact CA-O 3.49Å; F48-T444 HydrophobicContact CD1-CG2 3.86Å; F48-T444 HydrophobicContact CD2-CG2 4.42Å; F48-T444 HydrophobicContact CE1-CG2 3.59Å; F48-T444 HydrophobicContact CE2-CG2 4.17Å; F48-T444 HydrophobicContact CG-CG2 4.27Å; F48-T444 HydrophobicContact CZ-CG2 3.75Å
49	T	98.3	Very high	97.4	Very high	40 Å²	40	70.1 Å²	70.1	25%	0.245	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	107.7	161.2	-59.1	0	0	0	0	107.5	A23 F442 C443	A23-T49 WeakPolarHBondContact O-CA 3.32Å; T49-F442 WeakPolarHBondContact O-CA 3.31Å; T49-C443 PolarHBondContact N-O 3.02Å; T49-C443 PolarHBondContact O-N 3.38Å; T49-C443 VanDerWaalsContact O-N 3.11Å
50	F	98.5	Very high	97.5	Very high	17 Å²	17	65.7 Å²	65.7	8%	0.075	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	141	173.1	-71	-87.3	0	0	0	109.8	E22 A23 Y25 F48 V440 F442 A492	E22-F50 CarbonylContact C-O 3.54Å; E22-F50 VanDerWaalsContact CA-O 3.29Å; E22-F50 WeakPolarHBondContact CA-O 3.21Å; A23-F50 PolarHBondContact N-O 3.04Å; A23-F50 PolarHBondContact O-N 3.07Å; Y25-F50 AromaticContact CD1-CE2 3.96Å; Y25-F50 HydrophobicContact CD1-CE2 3.96Å; Y25-F50 HydrophobicContact CG-CE2 4.22Å; F48-F50 HydrophobicContact CB-CD2 4Å; F48-F50 HydrophobicContact CB-CE2 3.56Å; F48-F50 HydrophobicContact CB-CZ 4.21Å; F48-F50 HydrophobicContact CD1-CE2 4.46Å; F48-F50 HydrophobicContact CD1-CZ 4.27Å; F48-F50 HydrophobicContact CG-CE2 4.13Å; F48-F50 HydrophobicContact CG-CZ 4.34Å; F50-V440 HydrophobicContact CD1-CG1 4.22Å; F50-F442 HydrophobicContact CD1-CB 3.73Å; F50-F442 HydrophobicContact CD1-CD1 4.2Å; F50-F442 HydrophobicContact CD1-CG 4.28Å; F50-F442 HydrophobicContact CE1-CB 3.93Å; F50-F442 AromaticContact CE1-CD1 3.94Å; F50-F442 HydrophobicContact CE1-CD1 3.94Å; F50-F442 HydrophobicContact CE1-CG 4.05Å; F50-F442 HydrophobicContact CG-CB 4.25Å; F50-A492 HydrophobicContact CD2-CB 4.34Å; F50-A492 HydrophobicContact CE2-CB 3.89Å; F50-A492 HydrophobicContact CZ-CB 4.25Å
51	R	98.4	Very high	97.7	Very high	88 Å²	88	58.6 Å²	58.6	33%	0.332	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	118.2	170.1	176.8	178.8	175.3	84.3	4.8	109	A20 I21 E22 N441	A20-R51 HydrophobicContact CB-CG 3.9Å; A20-R51 VanDerWaalsContact CB-CZ 3.49Å; I21-R51 CarbonylContact O-C 3.17Å; I21-R51 WeakPolarHBondContact O-CA 3.45Å; E22-R51 HydrophobicContact CG-CB 4.27Å; E22-R51 HydrophobicContact CG-CG 4.08Å; E22-R51 IonicContact OE1-CZ 3.68Å; E22-R51 IonicContact OE1-NH1 2.62Å; E22-R51 PolarHBondContact OE1-NH1 2.84Å; R51-N441 WeakPolarHBondContact CB-OD1 3.26Å; R51-N441 PolarHBondContact N-O 3.09Å; R51-N441 PolarHBondContact O-N 3.35Å; R51-N441 PolarHBondContact O-ND2 2.8Å
52	T	98.4	Very high	97.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115.9	-179.7	-56.3	0	0	0	0	109.8	A20 I21 R54 L127 L436 V440	A20-T52 CarbonylContact C-O 3.09Å; A20-T52 WeakPolarHBondContact CA-O 3.49Å; A20-T52 WeakPolarHBondContact CB-O 3.08Å; I21-T52 PolarHBondContact N-O 3Å; I21-T52 PolarHBondContact O-N 3.04Å; T52-R54 PolarHBondContact O-N 3.26Å; T52-L127 HydrophobicContact CG2-CD1 4.23Å; T52-L127 HydrophobicContact CG2-CD2 4.23Å; T52-L436 HydrophobicContact CG2-CD1 4.39Å; T52-V440 HydrophobicContact CG2-CG2 4.03Å
53	A	98.2	Very high	97.9	Very high	35 Å²	35	48.6 Å²	48.6	29%	0.289	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	133.7	176.3	0	0	0	0	0	111.2	E19 R439	E19-A53 WeakPolarHBondContact O-CA 3.49Å; A53-R439 HydrophobicContact CB-CB 4.1Å; A53-R439 HydrophobicContact CB-CG 4.24Å; A53-R439 PolarHBondContact N-O 2.88Å; A53-R439 PolarHBondContact O-NH1 3.31Å
54	R	96.6	Very high	98	Very high	81 Å²	81	43.5 Å²	43.5	31%	0.306	22%	0.216	S	C	.	.			trans	-85.4	-26.4	-177	-68.3	-179.6	73.5	-178.6	3.8	113.6	S17 E19 I21 T52 V56 P128	S17-R54 WeakPolarHBondContact O-CD 3.31Å; S17-R54 PolarHBondContact O-NH1 3.43Å; E19-R54 PolarHBondContact O-N 2.94Å; I21-R54 HydrophobicContact CD1-CG 4.45Å; I21-R54 HydrophobicContact CG1-CG 3.87Å; T52-R54 PolarHBondContact O-N 3.26Å; R54-V56 PolarHBondContact O-N 3.24Å; R54-P128 HydrophobicContact CB-CG 4.4Å; R54-P128 HydrophobicContact CG-CG 4.33Å
55	Q	96.6	Very high	98	Very high	159 Å²	159	41.5 Å²	41.5	74%	0.743	20%	0.204	S	C	*	.	P	Polyproline II helix	trans	-67.1	116.2	178.6	-173.9	176.3	4.1	0	0	110.1	R439	Q55-R439 VanDerWaalsContact O-CD 3.24Å; Q55-R439 WeakPolarHBondContact O-CD 3.24Å
56	V	96.6	Very high	98.1	Very high	56 Å²	56	39.1 Å²	39.1	34%	0.339	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-83.7	126.8	176.8	176.2	0	0	0	0	108.7	R54 P128 V130	R54-V56 PolarHBondContact O-N 3.24Å; V56-P128 HydrophobicContact CG2-CB 4.05Å; V56-V130 VanDerWaalsContact CG1-CA 3.49Å; V56-V130 HydrophobicContact CG1-CB 3.98Å; V56-V130 HydrophobicContact CG1-CG2 3.38Å
57	P	97.8	Very high	98.2	Very high	16 Å²	16	36.8 Å²	36.8	10%	0.104	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-77.6	159	-177.1	31.3	-34.8	0	0	0	111.9	L59 V130 D221 K222 E435	P57-L59 PolarHBondContact O-N 3.14Å; P57-V130 HydrophobicContact CG-CG2 4.35Å; P57-D221 HydrophobicContact CB-CB 3.76Å; P57-K222 HydrophobicContact CB-CD 4.23Å; P57-K222 HydrophobicContact CB-CG 4.1Å; P57-K222 HydrophobicContact CG-CD 3.84Å; P57-K222 HydrophobicContact CG-CG 4.23Å; P57-E435 WeakPolarHBondContact CD-OE1 3.34Å; P57-E435 HydrophobicContact CG-CG 3.74Å; P57-E435 WeakPolarHBondContact CG-OE1 3.21Å
58	R	98.3	Very high	98.2	Very high	132 Å²	132	32.8 Å²	32.8	50%	0.498	16%	0.159	S	C	.	.			trans	-72.7	108.7	160.7	-165.4	177.7	176.1	-174.2	-2.3	109.1	A218 G219 L220 D221 K222	R58-A218 PolarHBondContact NE-O 3.02Å; R58-A218 PolarHBondContact NH1-O 2.95Å; R58-A218 PolarHBondContact NH2-O 3.28Å; R58-A218 VanDerWaalsContact NH2-O 3.12Å; R58-G219 WeakPolarHBondContact CD-O 3.45Å; R58-L220 HydrophobicContact CG-CD2 3.96Å; R58-D221 PolarHBondContact N-OD2 2.88Å; R58-D221 PolarHBondContact O-N 3.44Å; R58-K222 PolarHBondContact O-N 2.8Å
59	L	98.8	Very high	98.3	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.8	-170.2	-177.2	61.9	0	0	0	112.3	P57 V130 L135 V136 K222 I224 V431 E435	P57-L59 PolarHBondContact O-N 3.14Å; L59-V130 HydrophobicContact CB-CG1 4.21Å; L59-V130 HydrophobicContact CB-CG2 4.24Å; L59-V130 HydrophobicContact CD2-CB 4.46Å; L59-V130 HydrophobicContact CD2-CG1 4.25Å; L59-V130 HydrophobicContact CD2-CG2 4.15Å; L59-L135 HydrophobicContact CB-CD2 4.1Å; L59-L135 HydrophobicContact CD2-CD2 3.64Å; L59-L135 HydrophobicContact CG-CD2 3.98Å; L59-V136 PolarHBondContact O-N 2.92Å; L59-K222 HydrophobicContact CD1-CB 3.84Å; L59-I224 HydrophobicContact CD1-CD1 4.03Å; L59-I224 HydrophobicContact CD1-CG1 4.11Å; L59-I224 HydrophobicContact CD2-CD1 4.33Å; L59-V431 HydrophobicContact CD2-CG1 3.56Å; L59-V431 HydrophobicContact CG-CG1 4.47Å; L59-E435 HydrophobicContact CD1-CG 4.26Å; L59-E435 HydrophobicContact CD2-CB 3.89Å; L59-E435 HydrophobicContact CD2-CG 3.96Å
60	G	98.8	Very high	98.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	144.7	166.8	0	0	0	0	0	112.6	V136 K222 V223 I224	G60-V136 CarbonylContact C-O 3.58Å; G60-V136 WeakPolarHBondContact CA-O 3.36Å; G60-K222 PolarHBondContact N-O 3.23Å; G60-V223 WeakPolarHBondContact O-CA 3.39Å; G60-I224 PolarHBondContact O-N 2.77Å
61	V	98.9	Very high	98.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120	175.4	-173.6	0	0	0	0	108.5	L63 L135 V136 F137 D138 I224 V431	V61-L63 HydrophobicContact CG1-CD2 3.75Å; V61-L63 HydrophobicContact CG1-CG 4.26Å; V61-L135 HydrophobicContact CG2-CD1 4.48Å; V61-L135 HydrophobicContact CG2-CD2 4.14Å; V61-V136 PolarHBondContact N-O 3.48Å; V61-F137 HydrophobicContact CB-CD1 3.8Å; V61-F137 HydrophobicContact CB-CE1 3.82Å; V61-F137 HydrophobicContact CG1-CD1 4.19Å; V61-F137 HydrophobicContact CG1-CE1 4.04Å; V61-F137 HydrophobicContact CG2-CE1 4.18Å; V61-F137 WeakPolarHBondContact O-CA 3.35Å; V61-D138 PolarHBondContact O-N 3.07Å; V61-D138 VanDerWaalsContact O-N 3.11Å; V61-I224 WeakPolarHBondContact CA-O 3.49Å; V61-V431 HydrophobicContact CG1-CG2 3.85Å; V61-V431 HydrophobicContact CG2-CB 4.45Å; V61-V431 HydrophobicContact CG2-CG1 3.55Å; V61-V431 HydrophobicContact CG2-CG2 4.07Å
62	M	98.9	Very high	98.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	118.2	173.5	-60.7	-169.6	83	0	0	110.8	D138 W140 I211 F214 V223 I224 V225 L226	M62-D138 VanDerWaalsContact CA-O 3.27Å; M62-D138 WeakPolarHBondContact CA-O 3.28Å; M62-D138 HydrophobicContact CE-CB 4.24Å; M62-D138 HydrophobicContact CG-CB 4.48Å; M62-W140 HydrophobicContact CB-CE3 4.4Å; M62-W140 HydrophobicContact CB-CH2 3.86Å; M62-W140 HydrophobicContact CB-CZ3 3.5Å; M62-W140 HydrophobicContact CE-CE3 4.43Å; M62-W140 HydrophobicContact CE-CH2 3.27Å; M62-W140 HydrophobicContact CE-CZ2 3.34Å; M62-W140 HydrophobicContact CE-CZ3 3.86Å; M62-W140 HydrophobicContact CG-CH2 4.3Å; M62-W140 HydrophobicContact CG-CZ3 4.38Å; M62-W140 HydrophobicContact SD-CH2 3.46Å; M62-W140 WeakPolarHBondContact SD-CH2 3.14Å; M62-W140 HydrophobicContact SD-CZ2 4.04Å; M62-W140 HydrophobicContact SD-CZ3 4.12Å; M62-I211 HydrophobicContact SD-CB 4.34Å; M62-I211 HydrophobicContact SD-CG1 3.87Å; M62-F214 HydrophobicContact CE-CB 3.93Å; M62-F214 HydrophobicContact CE-CD1 4.25Å; M62-F214 HydrophobicContact CE-CG 4.23Å; M62-F214 HydrophobicContact CG-CD1 3.32Å; M62-F214 HydrophobicContact CG-CE1 3.54Å; M62-F214 HydrophobicContact CG-CG 4.18Å; M62-F214 HydrophobicContact SD-CB 3.9Å; M62-F214 HydrophobicContact SD-CD1 3.51Å; M62-F214 VanDerWaalsContact SD-CD1 3.51Å; M62-F214 HydrophobicContact SD-CE1 4.35Å; M62-F214 HydrophobicContact SD-CG 4.02Å; M62-V223 HydrophobicContact CG-CG1 3.88Å; M62-V223 HydrophobicContact SD-CG1 4.14Å; M62-I224 PolarHBondContact N-O 3.2Å; M62-V225 HydrophobicContact CB-CG2 4.34Å; M62-V225 WeakPolarHBondContact O-CA 3.44Å; M62-L226 PolarHBondContact O-N 2.77Å
63	L	98.9	Very high	98.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122	-177.2	-59.7	178.9	0	0	0	110.6	V61 W66 L74 F137 D138 G139 W140 L226 T228 M427	V61-L63 HydrophobicContact CG1-CD2 3.75Å; V61-L63 HydrophobicContact CG1-CG 4.26Å; L63-W66 HydrophobicContact CB-CB 3.99Å; L63-W66 HydrophobicContact CB-CG 4.2Å; L63-W66 HydrophobicContact CD1-CG 4.5Å; L63-L74 HydrophobicContact CD1-CD2 4.29Å; L63-F137 HydrophobicContact CD1-CD1 4.16Å; L63-F137 HydrophobicContact CD1-CE1 4.46Å; L63-F137 HydrophobicContact CG-CD1 4.5Å; L63-D138 PolarHBondContact N-O 3.33Å; L63-G139 CarbonylContact O-C 3.5Å; L63-G139 VanDerWaalsContact O-CA 3.23Å; L63-G139 WeakPolarHBondContact O-CA 3.43Å; L63-W140 PolarHBondContact O-N 2.96Å; L63-L226 WeakPolarHBondContact CA-O 3.37Å; L63-L226 HydrophobicContact CD2-CB 4.02Å; L63-L226 HydrophobicContact CD2-CD2 4.01Å; L63-L226 HydrophobicContact CD2-CG 4.48Å; L63-T228 HydrophobicContact CB-CG2 4.36Å; L63-M427 HydrophobicContact CD1-CE 4.09Å; L63-M427 HydrophobicContact CD2-CE 3.74Å
64	V	98.9	Very high	98.3	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	120.7	165	-167.8	0	0	0	0	107.4	W140 V225 L226 W227 T228 A229 F264	V64-W140 HydrophobicContact CG2-CE3 4Å; V64-W140 HydrophobicContact CG2-CZ3 4.28Å; V64-V225 HydrophobicContact CG2-CG1 4.2Å; V64-L226 PolarHBondContact N-O 3.02Å; V64-W227 HydrophobicContact CB-CD2 4.31Å; V64-W227 HydrophobicContact CB-CE3 3.78Å; V64-W227 HydrophobicContact CB-CZ3 4.27Å; V64-W227 HydrophobicContact CG1-CD2 4.31Å; V64-W227 HydrophobicContact CG1-CE3 3.58Å; V64-W227 HydrophobicContact CG1-CH2 4.26Å; V64-W227 HydrophobicContact CG1-CZ3 3.54Å; V64-W227 HydrophobicContact CG2-CE3 4.14Å; V64-T228 CarbonylContact O-C 3.55Å; V64-T228 VanDerWaalsContact O-C 3.28Å; V64-T228 WeakPolarHBondContact O-CA 3.19Å; V64-T228 WeakPolarHBondContact O-CG2 3.25Å; V64-T228 PolarHBondContact O-N 3.26Å; V64-A229 HydrophobicContact CG1-CB 4.22Å; V64-A229 PolarHBondContact O-N 3.01Å; V64-F264 HydrophobicContact CG1-CD2 4.01Å; V64-F264 HydrophobicContact CG1-CE1 4.34Å; V64-F264 HydrophobicContact CG1-CE2 3.77Å; V64-F264 HydrophobicContact CG1-CG 4.39Å; V64-F264 HydrophobicContact CG1-CZ 3.96Å; V64-F264 HydrophobicContact CG2-CB 4.24Å; V64-F264 HydrophobicContact CG2-CD1 3.53Å; V64-F264 HydrophobicContact CG2-CD2 4.2Å; V64-F264 HydrophobicContact CG2-CE1 3.85Å; V64-F264 HydrophobicContact CG2-CE2 4.46Å; V64-F264 HydrophobicContact CG2-CG 3.73Å; V64-F264 HydrophobicContact CG2-CZ 4.31Å
65	G	98.5	Very high	98.4	Very high	5 Å²	5	21.5 Å²	21.5	5%	0.052	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	34.5	-166.9	0	0	0	0	0	113	G67 G68 W140	G65-G67 VanDerWaalsContact C-N 3.28Å; G65-G67 PolarHBondContact O-N 3.19Å; G65-G68 PolarHBondContact O-N 3.04Å; G65-W140 WeakPolarHBondContact CA-O 3.4Å; G65-W140 PolarHBondContact N-O 3.19Å
66	W	98.8	Very high	98.6	Very high	5 Å²	5	14 Å²	14	2%	0.019	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-37.6	-174.9	-169.9	16.8	0	0	0	113.2	L63 G68 G71 S72 T75 F137 G139 W140 L147 L172 P174	L63-W66 HydrophobicContact CB-CB 3.99Å; L63-W66 HydrophobicContact CB-CG 4.2Å; L63-W66 HydrophobicContact CD1-CG 4.5Å; W66-G68 PolarHBondContact O-N 3.3Å; W66-G71 CarbonylContact O-C 3.6Å; W66-G71 VanDerWaalsContact O-CA 3.28Å; W66-G71 WeakPolarHBondContact O-CA 3.41Å; W66-S72 PolarHBondContact O-N 3.11Å; W66-S72 VanDerWaalsContact O-N 3.14Å; W66-T75 PolarHBondContact NE1-OG1 2.88Å; W66-F137 HydrophobicContact CZ2-CB 3.81Å; W66-G139 VanDerWaalsContact CE3-N 3.33Å; W66-W140 PolarHBondContact N-O 3.18Å; W66-L147 HydrophobicContact CD2-CD1 4.46Å; W66-L147 HydrophobicContact CD2-CD2 3.83Å; W66-L147 HydrophobicContact CD2-CG 4.36Å; W66-L147 HydrophobicContact CE3-CD2 4.07Å; W66-L147 HydrophobicContact CG-CD1 4.29Å; W66-L147 HydrophobicContact CG-CD2 4.26Å; W66-L147 HydrophobicContact CH2-CD2 4.4Å; W66-L147 HydrophobicContact CZ2-CD2 4.18Å; W66-L147 HydrophobicContact CZ2-CG 4.18Å; W66-L147 HydrophobicContact CZ3-CD2 4.34Å; W66-L172 HydrophobicContact CH2-CB 3.96Å; W66-L172 HydrophobicContact CH2-CD2 4.42Å; W66-L172 HydrophobicContact CZ2-CB 4.18Å; W66-L172 HydrophobicContact CZ2-CD1 4.36Å; W66-P174 HydrophobicContact CE3-CB 4.41Å; W66-P174 HydrophobicContact CE3-CG 4.47Å
67	G	98.4	Very high	98.7	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.01	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	7.6	175.6	0	0	0	0	0	114.4	G65 D141 A150 R153	G65-G67 VanDerWaalsContact C-N 3.28Å; G65-G67 PolarHBondContact O-N 3.19Å; G67-D141 VanDerWaalsContact C-OD2 3.24Å; G67-D141 WeakPolarHBondContact CA-OD2 3.31Å; G67-D141 PolarHBondContact N-OD2 3.3Å; G67-A150 WeakPolarHBondContact O-CB 3.29Å; G67-R153 PolarHBondContact O-NH2 3.32Å
68	G	98.1	Very high	98.7	Very high	15 Å²	15	12 Å²	12	16%	0.155	6%	0.063	C	C	.	.	S	Bend	trans	-74	176.4	171.7	0	0	0	0	0	112.9	G65 W66 N70 G71 S72 D141	G65-G68 PolarHBondContact O-N 3.04Å; W66-G68 PolarHBondContact O-N 3.3Å; G68-N70 PolarHBondContact O-N 3.05Å; G68-G71 PolarHBondContact O-N 3.36Å; G68-S72 WeakPolarHBondContact O-CB 3.37Å; G68-S72 PolarHBondContact O-N 3.02Å; G68-S72 PolarHBondContact O-OG 3.32Å; G68-D141 PolarHBondContact N-OD2 3.28Å
69	N	98.5	Very high	98.7	Very high	21 Å²	21	6.8 Å²	6.8	11%	0.112	5%	0.045	C	C	.	.	H	α-helix	trans	-57.8	-50.8	178.6	-65.8	39	0	0	0	111.5	S72 T73 A154 D391 S420	N69-S72 PolarHBondContact O-OG 3.44Å; N69-T73 WeakPolarHBondContact O-CB 3.5Å; N69-T73 PolarHBondContact O-N 2.81Å; N69-T73 PolarHBondContact O-OG1 2.7Å; N69-A154 HydrophobicContact CB-CB 4.09Å; N69-D391 PolarHBondContact ND2-OD1 2.87Å; N69-S420 WeakPolarHBondContact CB-OG 3.47Å
70	N	98.6	Very high	98.7	Very high	29 Å²	29	6.9 Å²	6.9	16%	0.155	5%	0.046	C	C	.	.	H	α-helix	trans	-63.9	-47.8	179.7	-66.9	-11	0	0	0	112.7	G68 T73 L74 T228 S420 M427	G68-N70 PolarHBondContact O-N 3.05Å; N70-T73 PolarHBondContact O-N 3.28Å; N70-L74 WeakPolarHBondContact O-CB 3.28Å; N70-L74 PolarHBondContact O-N 2.82Å; N70-T228 VanDerWaalsContact CB-OG1 3.26Å; N70-T228 WeakPolarHBondContact CB-OG1 3.36Å; N70-T228 PolarHBondContact ND2-OG1 3.02Å; N70-S420 PolarHBondContact OD1-OG 3.25Å; N70-M427 HydrophobicContact CB-CE 4.47Å; N70-M427 HydrophobicContact CB-SD 3.73Å
71	G	98.6	Very high	98.7	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.5	-42.6	-176.6	0	0	0	0	0	113.1	W66 G68 T75	W66-G71 CarbonylContact O-C 3.6Å; W66-G71 VanDerWaalsContact O-CA 3.28Å; W66-G71 WeakPolarHBondContact O-CA 3.41Å; G68-G71 PolarHBondContact O-N 3.36Å; G71-T75 WeakPolarHBondContact O-CB 3.31Å; G71-T75 PolarHBondContact O-N 3.35Å; G71-T75 PolarHBondContact O-OG1 2.82Å
72	S	98.8	Very high	98.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-66.9	-41.2	173.9	58.9	0	0	0	0	112.3	W66 G68 N69 T75 A76	W66-S72 PolarHBondContact O-N 3.11Å; W66-S72 VanDerWaalsContact O-N 3.14Å; G68-S72 WeakPolarHBondContact O-CB 3.37Å; G68-S72 PolarHBondContact O-N 3.02Å; G68-S72 PolarHBondContact O-OG 3.32Å; N69-S72 PolarHBondContact O-OG 3.44Å; S72-T75 PolarHBondContact O-N 2.95Å; S72-A76 VanDerWaalsContact O-CB 3.23Å; S72-A76 WeakPolarHBondContact O-CB 3.28Å; S72-A76 PolarHBondContact O-N 2.91Å
73	T	98.9	Very high	98.7	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.018	9%	0.089	C	C	.	.	H	α-helix	trans	-64.3	-44.9	178	-59.5	0	0	0	0	112.4	N69 N70 A76 A77 V156 L157 L421 A424	N69-T73 WeakPolarHBondContact O-CB 3.5Å; N69-T73 PolarHBondContact O-N 2.81Å; N69-T73 PolarHBondContact O-OG1 2.7Å; N70-T73 PolarHBondContact O-N 3.28Å; T73-A76 PolarHBondContact O-N 2.9Å; T73-A77 VanDerWaalsContact O-CB 3.32Å; T73-A77 WeakPolarHBondContact O-CB 3.37Å; T73-A77 PolarHBondContact O-N 3.02Å; T73-V156 HydrophobicContact CG2-CG1 4.11Å; T73-L157 HydrophobicContact CG2-CD2 4.45Å; T73-L421 HydrophobicContact CG2-CD2 4.01Å; T73-A424 HydrophobicContact CG2-CB 3.98Å
74	L	98.8	Very high	98.6	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.026	12%	0.122	C	C	.	.	H	α-helix	trans	-62	-45.9	177.3	175.4	60.3	0	0	0	111.4	L63 N70 A76 A77 V78 F137 A424 M427 L428	L63-L74 HydrophobicContact CD1-CD2 4.29Å; N70-L74 WeakPolarHBondContact O-CB 3.28Å; N70-L74 PolarHBondContact O-N 2.82Å; L74-A76 PolarHBondContact O-N 3.02Å; L74-A77 PolarHBondContact O-N 3.48Å; L74-V78 HydrophobicContact CD1-CG2 4.39Å; L74-V78 PolarHBondContact O-N 3.12Å; L74-F137 HydrophobicContact CD1-CZ 4.46Å; L74-F137 HydrophobicContact CD2-CE1 3.78Å; L74-F137 HydrophobicContact CD2-CZ 4.12Å; L74-F137 HydrophobicContact CG-CE1 4.02Å; L74-F137 HydrophobicContact CG-CZ 3.92Å; L74-A424 HydrophobicContact CB-CB 4.07Å; L74-M427 HydrophobicContact CB-CE 4.44Å; L74-M427 HydrophobicContact CD2-CB 3.87Å; L74-M427 HydrophobicContact CD2-CE 3.68Å; L74-M427 HydrophobicContact CD2-SD 4.37Å; L74-L428 HydrophobicContact CD1-CB 4.17Å
75	T	98.9	Very high	98.6	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.012	13%	0.128	C	C	.	.	H	α-helix	trans	-61.4	-46.4	178.8	-52.8	0	0	0	0	110.7	W66 G71 S72 V78 L79 F137 M169 L172	W66-T75 PolarHBondContact NE1-OG1 2.88Å; G71-T75 WeakPolarHBondContact O-CB 3.31Å; G71-T75 PolarHBondContact O-N 3.35Å; G71-T75 PolarHBondContact O-OG1 2.82Å; S72-T75 PolarHBondContact O-N 2.95Å; T75-V78 PolarHBondContact O-N 3.38Å; T75-L79 HydrophobicContact CG2-CD1 4.21Å; T75-L79 WeakPolarHBondContact O-CG 3.44Å; T75-L79 PolarHBondContact O-N 3.06Å; T75-F137 HydrophobicContact CG2-CD2 4.41Å; T75-M169 HydrophobicContact CG2-CE 4.42Å; T75-L172 HydrophobicContact CG2-CD1 3.82Å
76	A	98.8	Very high	98.6	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-59.9	-44.8	175.4	0	0	0	0	0	112.4	S72 T73 L74 V78 L79 A80 M151 L157 L165 M169	S72-A76 VanDerWaalsContact O-CB 3.23Å; S72-A76 WeakPolarHBondContact O-CB 3.28Å; S72-A76 PolarHBondContact O-N 2.91Å; T73-A76 PolarHBondContact O-N 2.9Å; L74-A76 PolarHBondContact O-N 3.02Å; A76-V78 PolarHBondContact O-N 2.84Å; A76-L79 PolarHBondContact O-N 3.25Å; A76-A80 VanDerWaalsContact O-CB 3.26Å; A76-A80 WeakPolarHBondContact O-CB 3.26Å; A76-A80 PolarHBondContact O-N 2.85Å; A76-M151 HydrophobicContact CB-SD 4.34Å; A76-L157 HydrophobicContact CB-CD1 3.47Å; A76-L157 VanDerWaalsContact CB-CD1 3.47Å; A76-L165 HydrophobicContact CB-CD1 3.7Å; A76-M169 HydrophobicContact CB-CE 3.9Å; A76-M169 HydrophobicContact CB-SD 3.75Å
77	A	98.8	Very high	98.6	Very high	30 Å²	30	28.8 Å²	28.8	25%	0.248	14%	0.139	C	C	.	.	H	α-helix	trans	-61.9	-42.7	179.6	0	0	0	0	0	111.7	T73 L74 N81	T73-A77 VanDerWaalsContact O-CB 3.32Å; T73-A77 WeakPolarHBondContact O-CB 3.37Å; T73-A77 PolarHBondContact O-N 3.02Å; L74-A77 PolarHBondContact O-N 3.48Å; A77-N81 WeakPolarHBondContact O-CB 3.1Å; A77-N81 PolarHBondContact O-N 2.83Å; A77-N81 VanDerWaalsContact O-N 3.1Å; A77-N81 PolarHBondContact O-ND2 3Å
78	V	98.8	Very high	98.5	Very high	1 Å²	1	33 Å²	33	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-66	-45.1	176.2	171.3	0	0	0	0	111.8	L74 T75 A76 A80 N81 R82 Y98 P132 F137	L74-V78 HydrophobicContact CD1-CG2 4.39Å; L74-V78 PolarHBondContact O-N 3.12Å; T75-V78 PolarHBondContact O-N 3.38Å; A76-V78 PolarHBondContact O-N 2.84Å; V78-A80 PolarHBondContact O-N 3.47Å; V78-N81 PolarHBondContact O-N 3.12Å; V78-R82 VanDerWaalsContact O-CB 3.32Å; V78-R82 WeakPolarHBondContact O-CB 3.27Å; V78-R82 PolarHBondContact O-N 3.4Å; V78-Y98 WeakPolarHBondContact CA-OH 3.39Å; V78-Y98 HydrophobicContact CG2-CE1 4.18Å; V78-P132 WeakPolarHBondContact CG1-O 3.12Å; V78-F137 HydrophobicContact CB-CE2 3.83Å; V78-F137 HydrophobicContact CB-CZ 4.48Å; V78-F137 HydrophobicContact CG1-CE2 3.98Å; V78-F137 HydrophobicContact CG2-CE2 3.75Å; V78-F137 HydrophobicContact CG2-CZ 3.92Å
79	L	98.8	Very high	98.4	Very high	22 Å²	22	33.8 Å²	33.8	12%	0.115	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-44.2	176.9	-72.2	171.5	0	0	0	112	T75 A76 N81 R82 L83 L165 H168 M169 L172	T75-L79 HydrophobicContact CG2-CD1 4.21Å; T75-L79 WeakPolarHBondContact O-CG 3.44Å; T75-L79 PolarHBondContact O-N 3.06Å; A76-L79 PolarHBondContact O-N 3.25Å; L79-N81 VanDerWaalsContact C-N 3.34Å; L79-N81 PolarHBondContact O-N 2.85Å; L79-R82 PolarHBondContact O-N 3.26Å; L79-L83 VanDerWaalsContact O-CB 3.31Å; L79-L83 WeakPolarHBondContact O-CB 3.41Å; L79-L83 VanDerWaalsContact O-CG 3.26Å; L79-L83 WeakPolarHBondContact O-CG 3.39Å; L79-L83 PolarHBondContact O-N 2.78Å; L79-L165 HydrophobicContact CB-CD2 3.83Å; L79-H168 HydrophobicContact CD1-CB 4.14Å; L79-M169 HydrophobicContact CD1-CG 3.64Å; L79-M169 HydrophobicContact CD1-SD 4.45Å; L79-L172 HydrophobicContact CD1-CD1 4.33Å
80	A	98.8	Very high	98.3	Very high	3 Å²	3	45.2 Å²	45.2	3%	0.025	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-41.8	179.6	0	0	0	0	0	112.1	A76 V78 R84 L85 A96 L161 L165	A76-A80 VanDerWaalsContact O-CB 3.26Å; A76-A80 WeakPolarHBondContact O-CB 3.26Å; A76-A80 PolarHBondContact O-N 2.85Å; V78-A80 PolarHBondContact O-N 3.47Å; A80-R84 PolarHBondContact O-N 2.84Å; A80-L85 HydrophobicContact CB-CB 4.44Å; A80-L85 HydrophobicContact CB-CD1 4.19Å; A80-L85 PolarHBondContact O-N 2.99Å; A80-A96 VanDerWaalsContact C-CB 3.47Å; A80-A96 HydrophobicContact CB-CB 3.89Å; A80-A96 WeakPolarHBondContact O-CB 3.34Å; A80-L161 HydrophobicContact CB-CD1 4.18Å; A80-L165 HydrophobicContact CB-CD1 4.44Å; A80-L165 HydrophobicContact CB-CD2 4.25Å
81	N	98.8	Very high	98.1	Very high	24 Å²	24	49.4 Å²	49.4	13%	0.128	24%	0.237	C	C	.	.	H	α-helix	trans	-69.1	-43.6	176.3	-82.7	-86.1	0	0	0	111.9	A77 V78 L79 L83 R84 A96 N97 Y98 N133	A77-N81 WeakPolarHBondContact O-CB 3.1Å; A77-N81 PolarHBondContact O-N 2.83Å; A77-N81 VanDerWaalsContact O-N 3.1Å; A77-N81 PolarHBondContact O-ND2 3Å; V78-N81 PolarHBondContact O-N 3.12Å; L79-N81 VanDerWaalsContact C-N 3.34Å; L79-N81 PolarHBondContact O-N 2.85Å; N81-L83 VanDerWaalsContact C-N 3.3Å; N81-L83 PolarHBondContact O-N 2.88Å; N81-R84 PolarHBondContact O-N 3.09Å; N81-A96 HydrophobicContact CB-CB 4.49Å; N81-A96 PolarHBondContact OD1-O 3.39Å; N81-N97 PolarHBondContact ND2-O 3.38Å; N81-N97 WeakPolarHBondContact OD1-CA 3.47Å; N81-N97 PolarHBondContact OD1-N 3.16Å; N81-Y98 HydrophobicContact CB-CD2 4.49Å; N81-Y98 HydrophobicContact CB-CE1 4.27Å; N81-Y98 HydrophobicContact CB-CE2 3.6Å; N81-Y98 VanDerWaalsContact CB-CZ 3.47Å; N81-Y98 WeakPolarHBondContact CB-OH 3.3Å; N81-Y98 VanDerWaalsContact CG-CE2 3.44Å; N81-Y98 VanDerWaalsContact CG-CZ 3.49Å; N81-N133 WeakPolarHBondContact CB-OD1 3.23Å
82	R	98.3	Very high	98	Very high	111 Å²	111	51.2 Å²	51.2	42%	0.419	26%	0.255	S	S	.	.	H	α-helix	trans	-58.5	-42.8	176.5	-175.2	-173.9	-67.6	159	0.8	111.7	V78 L79 R84 N133 L135	V78-R82 VanDerWaalsContact O-CB 3.32Å; V78-R82 WeakPolarHBondContact O-CB 3.27Å; V78-R82 PolarHBondContact O-N 3.4Å; L79-R82 PolarHBondContact O-N 3.26Å; R82-R84 VanDerWaalsContact C-N 3.29Å; R82-N133 PolarHBondContact N-OD1 2.96Å; R82-N133 PolarHBondContact NE-O 2.93Å; R82-N133 PolarHBondContact NH2-O 3.29Å; R82-L135 PolarHBondContact NH2-O 3.45Å
83	L	98.5	Very high	98	Very high	69 Å²	69	59 Å²	59	36%	0.361	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-4.2	178.8	-64.8	169.8	0	0	0	113.2	L79 N81 L85 H168	L79-L83 VanDerWaalsContact O-CB 3.31Å; L79-L83 WeakPolarHBondContact O-CB 3.41Å; L79-L83 VanDerWaalsContact O-CG 3.26Å; L79-L83 WeakPolarHBondContact O-CG 3.39Å; L79-L83 PolarHBondContact O-N 2.78Å; N81-L83 VanDerWaalsContact C-N 3.3Å; N81-L83 PolarHBondContact O-N 2.88Å; L83-L85 HydrophobicContact CB-CD1 4.45Å; L83-L85 HydrophobicContact CB-CD2 3.67Å; L83-L85 HydrophobicContact CB-CG 3.75Å; L83-L85 HydrophobicContact CD1-CD1 4.36Å; L83-L85 HydrophobicContact CD1-CD2 4.45Å; L83-L85 PolarHBondContact O-N 3.11Å; L83-H168 VanDerWaalsContact CD1-CD2 3.47Å; L83-H168 WeakPolarHBondContact CD1-CD2 3.34Å; L83-H168 WeakPolarHBondContact CD1-NE2 3.44Å
84	R	98.1	Very high	97.9	Very high	184 Å²	184	63.3 Å²	63.3	69%	0.694	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	43.3	-177.1	-55.1	-179.9	-177.3	-179.3	0.9	112.2	A80 N81 R82	A80-R84 PolarHBondContact O-N 2.84Å; N81-R84 PolarHBondContact O-N 3.09Å; R82-R84 VanDerWaalsContact C-N 3.29Å
85	L	98.6	Very high	97.9	Very high	24 Å²	24	69.4 Å²	69.4	13%	0.126	33%	0.331	C	S	.	.			trans	-67.5	147.3	-175.9	-60.5	-174.8	0	0	0	111.4	A80 L83 A96 L161 Q164 L165	A80-L85 HydrophobicContact CB-CB 4.44Å; A80-L85 HydrophobicContact CB-CD1 4.19Å; A80-L85 PolarHBondContact O-N 2.99Å; L83-L85 HydrophobicContact CB-CD1 4.45Å; L83-L85 HydrophobicContact CB-CD2 3.67Å; L83-L85 HydrophobicContact CB-CG 3.75Å; L83-L85 HydrophobicContact CD1-CD1 4.36Å; L83-L85 HydrophobicContact CD1-CD2 4.45Å; L83-L85 PolarHBondContact O-N 3.11Å; L85-A96 PolarHBondContact O-N 3.22Å; L85-L161 HydrophobicContact CB-CD1 4.37Å; L85-L161 HydrophobicContact CD1-CD1 3.92Å; L85-Q164 HydrophobicContact CD1-CB 4.07Å; L85-L165 HydrophobicContact CD1-CD2 3.67Å; L85-L165 HydrophobicContact CD1-CG 3.99Å
86	T	98.4	Very high	97.9	Very high	32 Å²	32	70.4 Å²	70.4	20%	0.196	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	138.9	172.8	56.7	0	0	0	0	108.4	R93 K94 E95 Q164	T86-R93 PolarHBondContact O-NH2 2.77Å; T86-R93 VanDerWaalsContact OG1-CZ 3.24Å; T86-R93 PolarHBondContact OG1-NE 3.47Å; T86-R93 PolarHBondContact OG1-NH2 2.81Å; T86-K94 CarbonylContact C-O 3.39Å; T86-K94 WeakPolarHBondContact CA-O 3.26Å; T86-K94 VanDerWaalsContact CB-O 3.3Å; T86-K94 WeakPolarHBondContact CB-O 3.48Å; T86-E95 HydrophobicContact CG2-CB 3.87Å; T86-E95 HydrophobicContact CG2-CG 3.61Å; T86-Q164 PolarHBondContact O-NE2 2.93Å
87	W	98.2	Very high	97.8	Very high	27 Å²	27	73.5 Å²	73.5	10%	0.102	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	146.2	-175.2	60.6	101.2	0	0	0	111.4	R93 K94 A96 D158 L161	W87-R93 WeakPolarHBondContact O-CA 3.35Å; W87-K94 HydrophobicContact CD2-CB 4.21Å; W87-K94 HydrophobicContact CH2-CB 4.45Å; W87-K94 HydrophobicContact CZ2-CB 3.88Å; W87-K94 PolarHBondContact N-O 2.74Å; W87-K94 PolarHBondContact O-N 3.17Å; W87-A96 HydrophobicContact CZ3-CB 4.16Å; W87-D158 PolarHBondContact NE1-OD2 3.21Å; W87-L161 HydrophobicContact CD2-CB 3.92Å; W87-L161 HydrophobicContact CD2-CD1 4.21Å; W87-L161 HydrophobicContact CD2-CD2 4.24Å; W87-L161 HydrophobicContact CD2-CG 4.34Å; W87-L161 HydrophobicContact CE3-CB 4.33Å; W87-L161 HydrophobicContact CE3-CD1 3.74Å; W87-L161 HydrophobicContact CE3-CD2 4.22Å; W87-L161 HydrophobicContact CE3-CG 4.31Å; W87-L161 HydrophobicContact CG-CB 4.02Å; W87-L161 HydrophobicContact CH2-CD2 3.78Å; W87-L161 HydrophobicContact CZ2-CD2 3.77Å; W87-L161 HydrophobicContact CZ3-CD1 3.93Å; W87-L161 HydrophobicContact CZ3-CD2 4Å; W87-L161 HydrophobicContact CZ3-CG 4.49Å
88	P	97.3	Very high	97.8	Very high	91 Å²	91	73.6 Å²	73.6	59%	0.591	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	140.4	173	30.8	-33.3	0	0	0	110.2
89	T	96.1	Very high	97.8	Very high	30 Å²	30	81.9 Å²	81.9	18%	0.184	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	172.1	168	70.5	0	0	0	0	109	T91 G92 K94	T89-T91 PolarHBondContact O-N 3.39Å; T89-T91 VanDerWaalsContact O-N 3.11Å; T89-T91 PolarHBondContact OG1-N 3.12Å; T89-T91 PolarHBondContact OG1-OG1 2.94Å; T89-G92 WeakPolarHBondContact CA-O 3.46Å; T89-G92 WeakPolarHBondContact CB-O 3.34Å; T89-G92 PolarHBondContact N-O 3.04Å; T89-G92 PolarHBondContact O-N 2.93Å; T89-G92 VanDerWaalsContact O-N 3.13Å; T89-G92 PolarHBondContact OG1-O 3.2Å; T89-K94 HydrophobicContact CG2-CB 4.26Å; T89-K94 HydrophobicContact CG2-CG 3.46Å; T89-K94 VanDerWaalsContact CG2-CG 3.46Å
90	R	95.4	Very high	97.7	Very high	262 Å²	262	83.3 Å²	83.3	99%	0.989	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-24.9	175.6	-65.1	-175.4	-177.1	175.4	1.7	113.3
91	T	95.2	Very high	97.7	Very high	117 Å²	117	83.3 Å²	83.3	72%	0.718	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	11.2	-177.4	58.6	0	0	0	0	113.3	T89	T89-T91 PolarHBondContact O-N 3.39Å; T89-T91 VanDerWaalsContact O-N 3.11Å; T89-T91 PolarHBondContact OG1-N 3.12Å; T89-T91 PolarHBondContact OG1-OG1 2.94Å
92	G	96.3	Very high	97.6	Very high	37 Å²	37	82.7 Å²	82.7	38%	0.381	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	118.6	-175.5	-179	0	0	0	0	0	112.8	T89	T89-G92 WeakPolarHBondContact CA-O 3.46Å; T89-G92 WeakPolarHBondContact CB-O 3.34Å; T89-G92 PolarHBondContact N-O 3.04Å; T89-G92 PolarHBondContact O-N 2.93Å; T89-G92 VanDerWaalsContact O-N 3.13Å; T89-G92 PolarHBondContact OG1-O 3.2Å
93	R	97.4	Very high	97.6	Very high	164 Å²	164	77.4 Å²	77.4	62%	0.619	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	137.6	178.2	-163.5	173.7	-170.4	86.7	2.5	110.1	T86 W87	T86-R93 PolarHBondContact O-NH2 2.77Å; T86-R93 VanDerWaalsContact OG1-CZ 3.24Å; T86-R93 PolarHBondContact OG1-NE 3.47Å; T86-R93 PolarHBondContact OG1-NH2 2.81Å; W87-R93 WeakPolarHBondContact O-CA 3.35Å
94	K	97.9	Very high	97.5	Very high	93 Å²	93	76.6 Å²	76.6	40%	0.404	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	153.9	172.1	-62	-61.7	-178.4	-176.2	0	109.9	T86 W87 T89	T86-K94 CarbonylContact C-O 3.39Å; T86-K94 WeakPolarHBondContact CA-O 3.26Å; T86-K94 VanDerWaalsContact CB-O 3.3Å; T86-K94 WeakPolarHBondContact CB-O 3.48Å; W87-K94 HydrophobicContact CD2-CB 4.21Å; W87-K94 HydrophobicContact CH2-CB 4.45Å; W87-K94 HydrophobicContact CZ2-CB 3.88Å; W87-K94 PolarHBondContact N-O 2.74Å; W87-K94 PolarHBondContact O-N 3.17Å; T89-K94 HydrophobicContact CG2-CB 4.26Å; T89-K94 HydrophobicContact CG2-CG 3.46Å; T89-K94 VanDerWaalsContact CG2-CG 3.46Å
95	E	98.3	Very high	97.5	Very high	134 Å²	134	70.3 Å²	70.3	63%	0.626	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.2	176.6	-47.3	-166	155.4	0	0	109.7	T86 N97	T86-E95 HydrophobicContact CG2-CB 3.87Å; T86-E95 HydrophobicContact CG2-CG 3.61Å; E95-N97 PolarHBondContact O-N 2.81Å; E95-N97 PolarHBondContact O-ND2 3.13Å
96	A	98.5	Very high	97.4	Very high	22 Å²	22	69.7 Å²	69.7	18%	0.182	36%	0.36	C	S	.	.			trans	-58.9	135.9	175.2	0	0	0	0	0	110.7	A80 N81 L85 W87	A80-A96 VanDerWaalsContact C-CB 3.47Å; A80-A96 HydrophobicContact CB-CB 3.89Å; A80-A96 WeakPolarHBondContact O-CB 3.34Å; N81-A96 HydrophobicContact CB-CB 4.49Å; N81-A96 PolarHBondContact OD1-O 3.39Å; L85-A96 PolarHBondContact O-N 3.22Å; W87-A96 HydrophobicContact CZ3-CB 4.16Å
97	N	98.4	Very high	97.3	Very high	66 Å²	66	71.4 Å²	71.4	35%	0.353	37%	0.37	S	S	.	.			trans	-152.5	178.1	179.4	60.4	71.5	0	0	0	109.9	N81 E95 Y99	N81-N97 PolarHBondContact ND2-O 3.38Å; N81-N97 WeakPolarHBondContact OD1-CA 3.47Å; N81-N97 PolarHBondContact OD1-N 3.16Å; E95-N97 PolarHBondContact O-N 2.81Å; E95-N97 PolarHBondContact O-ND2 3.13Å; N97-Y99 HydrophobicContact CB-CD1 4.27Å; N97-Y99 HydrophobicContact CB-CD2 4.48Å; N97-Y99 HydrophobicContact CB-CE1 4.24Å; N97-Y99 HydrophobicContact CB-CE2 4.44Å; N97-Y99 HydrophobicContact CB-CG 4.39Å; N97-Y99 WeakPolarHBondContact OD1-CB 3.43Å; N97-Y99 WeakPolarHBondContact OD1-CD2 3.41Å; N97-Y99 PolarHBondContact OD1-N 3.3Å
98	Y	98.3	Very high	97.2	Very high	33 Å²	33	70.1 Å²	70.1	13%	0.129	37%	0.366	C	S	.	.			trans	-116.5	36.6	175.5	-66.9	-67.5	0	0	0	112.4	V78 N81 S101 Q104 P132 N133 L428	V78-Y98 WeakPolarHBondContact CA-OH 3.39Å; V78-Y98 HydrophobicContact CG2-CE1 4.18Å; N81-Y98 HydrophobicContact CB-CD2 4.49Å; N81-Y98 HydrophobicContact CB-CE1 4.27Å; N81-Y98 HydrophobicContact CB-CE2 3.6Å; N81-Y98 VanDerWaalsContact CB-CZ 3.47Å; N81-Y98 WeakPolarHBondContact CB-OH 3.3Å; N81-Y98 VanDerWaalsContact CG-CE2 3.44Å; N81-Y98 VanDerWaalsContact CG-CZ 3.49Å; Y98-S101 WeakPolarHBondContact O-CB 3.29Å; Y98-S101 PolarHBondContact O-N 2.91Å; Y98-Q104 HydrophobicContact CD2-CB 4.44Å; Y98-Q104 HydrophobicContact CD2-CG 4.39Å; Y98-Q104 HydrophobicContact CG-CB 4.3Å; Y98-Q104 HydrophobicContact CG-CG 4.29Å; Y98-P132 HydrophobicContact CD2-CB 4.4Å; Y98-P132 HydrophobicContact CD2-CG 4.31Å; Y98-P132 HydrophobicContact CE1-CB 3.89Å; Y98-P132 HydrophobicContact CE2-CB 3.69Å; Y98-P132 HydrophobicContact CE2-CG 4.01Å; Y98-P132 WeakPolarHBondContact OH-CB 3.15Å; Y98-N133 PolarHBondContact OH-OD1 2.73Å; Y98-L428 HydrophobicContact CD1-CD2 3.65Å; Y98-L428 HydrophobicContact CE1-CD2 3.99Å; Y98-L428 HydrophobicContact CG-CD2 4.19Å
99	Y	98.4	Very high	97.1	Very high	175 Å²	175	66.6 Å²	66.6	69%	0.686	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	144	177.1	-64.7	-21.4	0	0	0	111.7	N97 S101 A105 P425	N97-Y99 HydrophobicContact CB-CD1 4.27Å; N97-Y99 HydrophobicContact CB-CD2 4.48Å; N97-Y99 HydrophobicContact CB-CE1 4.24Å; N97-Y99 HydrophobicContact CB-CE2 4.44Å; N97-Y99 HydrophobicContact CB-CG 4.39Å; N97-Y99 WeakPolarHBondContact OD1-CB 3.43Å; N97-Y99 WeakPolarHBondContact OD1-CD2 3.41Å; N97-Y99 PolarHBondContact OD1-N 3.3Å; Y99-S101 VanDerWaalsContact C-N 3.34Å; Y99-A105 HydrophobicContact CD1-CB 4.29Å; Y99-P425 WeakPolarHBondContact O-CG 3.42Å
100	G	97.1	Very high	96.9	Very high	51 Å²	51	67.3 Å²	67.3	53%	0.526	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	-15.7	-173.2	0	0	0	0	0	114.7	P425	G100-P425 VanDerWaalsContact C-CB 3.42Å
101	S	98.4	Very high	96.7	Very high	4 Å²	4	56 Å²	56	3%	0.028	31%	0.309	C	S	.	.			trans	-82.4	129.3	173	161	0	0	0	0	110.7	Y98 Y99 T103 Q104 A105 G106 P425 D429	Y98-S101 WeakPolarHBondContact O-CB 3.29Å; Y98-S101 PolarHBondContact O-N 2.91Å; Y99-S101 VanDerWaalsContact C-N 3.34Å; S101-T103 PolarHBondContact OG-N 3.1Å; S101-T103 PolarHBondContact OG-OG1 3.49Å; S101-Q104 WeakPolarHBondContact OG-CB 3.43Å; S101-Q104 WeakPolarHBondContact OG-CG 3.31Å; S101-Q104 PolarHBondContact OG-N 2.85Å; S101-A105 WeakPolarHBondContact O-CB 3.44Å; S101-A105 PolarHBondContact O-N 2.92Å; S101-G106 PolarHBondContact O-N 3.28Å; S101-P425 VanDerWaalsContact N-CB 3.34Å; S101-D429 WeakPolarHBondContact CA-OD2 3.43Å; S101-D429 PolarHBondContact OG-OD1 2.95Å
102	L	97.4	Very high	96.5	Very high	10 Å²	10	53.7 Å²	53.7	5%	0.052	29%	0.292	C	S	.	.	H	α-helix	trans	-62.5	-45.7	172.7	175.9	65	0	0	0	110.9	G106 F123 D429 F462 I486	L102-G106 WeakPolarHBondContact O-CA 3.42Å; L102-G106 PolarHBondContact O-N 2.9Å; L102-F123 HydrophobicContact CD1-CD2 4.03Å; L102-F123 HydrophobicContact CD1-CE2 4.08Å; L102-F123 HydrophobicContact CD2-CE1 4.45Å; L102-F123 HydrophobicContact CD2-CE2 4.3Å; L102-F123 HydrophobicContact CD2-CZ 4.11Å; L102-F123 HydrophobicContact CG-CD2 4.23Å; L102-F123 HydrophobicContact CG-CE1 4.47Å; L102-F123 HydrophobicContact CG-CE2 4.19Å; L102-F123 HydrophobicContact CG-CG 4.43Å; L102-F123 HydrophobicContact CG-CZ 4.31Å; L102-F123 WeakPolarHBondContact O-CB 3.25Å; L102-D429 WeakPolarHBondContact CB-OD2 3.34Å; L102-D429 PolarHBondContact N-OD1 3.41Å; L102-D429 PolarHBondContact N-OD2 3.48Å; L102-F462 HydrophobicContact CB-CE1 4.15Å; L102-F462 HydrophobicContact CD2-CD1 3.91Å; L102-F462 HydrophobicContact CD2-CE1 3.87Å; L102-F462 HydrophobicContact CD2-CZ 4.5Å; L102-F462 HydrophobicContact CG-CE1 4.42Å; L102-I486 HydrophobicContact CD2-CD1 4.07Å
103	T	97.4	Very high	96.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-72.6	-33.8	-174.8	59.5	0	0	0	0	112.5	S101 F123 S124 M129 D429 L432 L433	S101-T103 PolarHBondContact OG-N 3.1Å; S101-T103 PolarHBondContact OG-OG1 3.49Å; T103-F123 HydrophobicContact CG2-CD1 4.37Å; T103-S124 VanDerWaalsContact O-CB 3.31Å; T103-S124 WeakPolarHBondContact O-CB 3.31Å; T103-S124 PolarHBondContact O-N 3.32Å; T103-S124 PolarHBondContact O-OG 2.98Å; T103-M129 HydrophobicContact CG2-CE 3.99Å; T103-M129 HydrophobicContact CG2-SD 3.93Å; T103-D429 WeakPolarHBondContact CB-OD1 3.5Å; T103-D429 HydrophobicContact CG2-CB 4.43Å; T103-D429 WeakPolarHBondContact CG2-OD1 3.4Å; T103-D429 PolarHBondContact N-OD1 3.05Å; T103-D429 PolarHBondContact OG1-OD1 3.43Å; T103-L432 WeakPolarHBondContact OG1-CD1 3.24Å; T103-L433 HydrophobicContact CG2-CD2 4.03Å; T103-L433 HydrophobicContact CG2-CG 4.03Å
104	Q	97.4	Very high	95.8	Very high	53 Å²	53	51.1 Å²	51.1	25%	0.248	30%	0.303	C	S	.	.	H	α-helix	trans	-97.7	-27.2	-173.5	-54.4	-49.8	-61	0	0	114.4	Y98 S101 P132 L428 L432	Y98-Q104 HydrophobicContact CD2-CB 4.44Å; Y98-Q104 HydrophobicContact CD2-CG 4.39Å; Y98-Q104 HydrophobicContact CG-CB 4.3Å; Y98-Q104 HydrophobicContact CG-CG 4.29Å; S101-Q104 WeakPolarHBondContact OG-CB 3.43Å; S101-Q104 WeakPolarHBondContact OG-CG 3.31Å; S101-Q104 PolarHBondContact OG-N 2.85Å; Q104-P132 HydrophobicContact CG-CG 3.61Å; Q104-P132 VanDerWaalsContact OE1-CD 3.32Å; Q104-P132 VanDerWaalsContact OE1-CG 3.3Å; Q104-L428 HydrophobicContact CG-CD2 3.94Å; Q104-L432 VanDerWaalsContact NE2-CD1 3.31Å
105	A	97.1	Very high	95.3	Very high	51 Å²	51	52.8 Å²	52.8	42%	0.421	32%	0.316	S	S	.	.	H	α-helix	trans	-122.4	-4.3	-178.3	0	0	0	0	0	113.5	Y99 S101	Y99-A105 HydrophobicContact CD1-CB 4.29Å; S101-A105 WeakPolarHBondContact O-CB 3.44Å; S101-A105 PolarHBondContact O-N 2.92Å
106	G	96.7	Very high	94.6	Very high	12 Å²	12	48 Å²	48	12%	0.124	30%	0.303	C	S	.	.			trans	-82.3	156.9	173.2	0	0	0	0	0	112.5	S101 L102 F123	S101-G106 PolarHBondContact O-N 3.28Å; L102-G106 WeakPolarHBondContact O-CA 3.42Å; L102-G106 PolarHBondContact O-N 2.9Å; G106-F123 WeakPolarHBondContact O-CB 3.47Å; G106-F123 PolarHBondContact O-N 3.15Å
107	T	96.8	Very high	94.2	Very high	67 Å²	67	55.3 Å²	55.3	41%	0.411	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	161.3	172.1	58.8	0	0	0	0	111.4	V121 R483	T107-V121 CarbonylContact C-O 3.6Å; T107-V121 WeakPolarHBondContact CA-O 3.43Å; T107-V121 VanDerWaalsContact CB-O 3.29Å; T107-V121 WeakPolarHBondContact CB-O 3.32Å; T107-R483 PolarHBondContact O-NH2 3.35Å
108	V	95.6	Very high	93.9	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.006	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	139.8	174.9	173.4	0	0	0	0	109	F120 V121 F123 L126 E487	V108-F120 WeakPolarHBondContact O-CA 3.37Å; V108-V121 PolarHBondContact N-O 3.27Å; V108-V121 PolarHBondContact O-N 3.37Å; V108-F123 HydrophobicContact CG2-CB 4.49Å; V108-F123 HydrophobicContact CG2-CD2 3.33Å; V108-F123 HydrophobicContact CG2-CE2 3.7Å; V108-F123 HydrophobicContact CG2-CG 4.11Å; V108-L126 HydrophobicContact CB-CD1 4.23Å; V108-L126 HydrophobicContact CG1-CD1 4.16Å; V108-L126 HydrophobicContact CG2-CD1 3.91Å; V108-E487 HydrophobicContact CG1-CG 3.76Å; V108-E487 WeakPolarHBondContact CG1-OE1 3.28Å; V108-E487 HydrophobicContact CG2-CG 3.98Å
109	N	94.7	Very high	93.7	Very high	16 Å²	16	58.2 Å²	58.2	9%	0.086	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	120.5	172.8	-175.7	-3.2	0	0	0	110.1	G111 E118 V119 F120 R491 Q499	N109-G111 PolarHBondContact OD1-N 3.35Å; N109-G111 PolarHBondContact OD1-O 3.49Å; N109-G111 VanDerWaalsContact OD1-O 3.11Å; N109-E118 PolarHBondContact ND2-OE1 3.41Å; N109-V119 PolarHBondContact OD1-O 3.42Å; N109-F120 HydrophobicContact CB-CD1 3.94Å; N109-F120 HydrophobicContact CB-CE1 3.6Å; N109-F120 HydrophobicContact CB-CZ 4.03Å; N109-R491 PolarHBondContact O-NH1 3.35Å; N109-Q499 PolarHBondContact O-NE2 3.26Å
110	L	93.2	Very high	93.5	Very high	46 Å²	46	55 Å²	55	24%	0.241	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-33.9	174.5	-68.7	-173.9	0	0	0	113.1	I7 V119 V121 L126 L496	I7-L110 HydrophobicContact CD1-CD1 4.12Å; I7-L110 HydrophobicContact CD1-CD2 4.4Å; I7-L110 HydrophobicContact CG1-CD1 4.41Å; I7-L110 HydrophobicContact CG2-CD1 4.2Å; L110-V119 PolarHBondContact N-O 3.07Å; L110-V121 HydrophobicContact CD1-CB 4.33Å; L110-V121 HydrophobicContact CD1-CG1 3.48Å; L110-V121 VanDerWaalsContact CD1-CG1 3.48Å; L110-V121 HydrophobicContact CD1-CG2 3.93Å; L110-V121 HydrophobicContact CD2-CG2 3.88Å; L110-V121 HydrophobicContact CG-CB 4.47Å; L110-V121 HydrophobicContact CG-CG1 3.98Å; L110-V121 HydrophobicContact CG-CG2 3.67Å; L110-L126 HydrophobicContact CD2-CD2 3.88Å; L110-L496 HydrophobicContact CD2-CD1 4.17Å
111	G	91.4	Very high	93.5	Very high	25 Å²	25	53.1 Å²	53.1	26%	0.258	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	151.9	-154.4	-173	0	0	0	0	0	111.1	N109 E118 V119	N109-G111 PolarHBondContact OD1-N 3.35Å; N109-G111 PolarHBondContact OD1-O 3.49Å; N109-G111 VanDerWaalsContact OD1-O 3.11Å; G111-E118 CarbonylContact O-C 3.48Å; G111-E118 WeakPolarHBondContact O-CA 3.33Å; G111-V119 PolarHBondContact O-N 3.34Å
112	L	91	Very high	93.4	Very high	68 Å²	68	55.4 Å²	55.4	36%	0.356	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	145	179.5	-55.9	178.9	0	0	0	111.3	R117 E118 E505	L112-R117 CarbonylContact C-O 3.57Å; L112-R117 VanDerWaalsContact CA-O 3.28Å; L112-R117 WeakPolarHBondContact CA-O 3.29Å; L112-E118 HydrophobicContact CD2-CB 4.5Å; L112-E118 HydrophobicContact CD2-CG 3.84Å; L112-E505 HydrophobicContact CD1-CG 4.39Å
113	D	90.3	Very high	93.3	Very high	59 Å²	59	54.9 Å²	54.9	32%	0.316	32%	0.322	S	S	.	.			trans	-77.8	-179.8	169.2	77.6	-5.1	0	0	0	112	N115 G116 R117 V119	D113-N115 PolarHBondContact O-N 2.87Å; D113-N115 VanDerWaalsContact OD1-C 3.3Å; D113-N115 VanDerWaalsContact OD1-CA 3.28Å; D113-N115 WeakPolarHBondContact OD1-CA 3.18Å; D113-N115 WeakPolarHBondContact OD1-CB 3.39Å; D113-N115 PolarHBondContact OD1-N 3.22Å; D113-N115 PolarHBondContact OD2-ND2 3.08Å; D113-G116 PolarHBondContact O-N 3.28Å; D113-G116 PolarHBondContact OD1-N 2.89Å; D113-R117 PolarHBondContact N-O 3.41Å; D113-R117 WeakPolarHBondContact OD1-CB 3.47Å; D113-R117 PolarHBondContact OD1-N 3.48Å; D113-V119 HydrophobicContact CB-CG2 3.74Å
114	G	87.7	Confident	93.2	Very high	88 Å²	88	56.7 Å²	56.7	91%	0.907	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-12	177.1	0	0	0	0	0	115
115	N	87.1	Confident	93.1	Very high	128 Å²	128	55.1 Å²	55.1	68%	0.684	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	5.9	175.6	-53.4	-61	0	0	0	112.5	D113 R117	D113-N115 PolarHBondContact O-N 2.87Å; D113-N115 VanDerWaalsContact OD1-C 3.3Å; D113-N115 VanDerWaalsContact OD1-CA 3.28Å; D113-N115 WeakPolarHBondContact OD1-CA 3.18Å; D113-N115 WeakPolarHBondContact OD1-CB 3.39Å; D113-N115 PolarHBondContact OD1-N 3.22Å; D113-N115 PolarHBondContact OD2-ND2 3.08Å; N115-R117 HydrophobicContact CB-CG 4.44Å
116	G	83.8	Confident	93	Very high	33 Å²	33	52.9 Å²	52.9	34%	0.34	31%	0.312	S	S	.	.	S	Bend	trans	74.7	21.1	-177.7	0	0	0	0	0	114.2	D113	D113-G116 PolarHBondContact O-N 3.28Å; D113-G116 PolarHBondContact OD1-N 2.89Å
117	R	89.5	Confident	93	Very high	176 Å²	176	52.6 Å²	52.6	66%	0.664	31%	0.307	S	S	*	.			trans	-97.7	139.9	177.9	-62.2	179.4	179.5	177.9	0.4	110.9	L112 D113 N115 V119	L112-R117 CarbonylContact C-O 3.57Å; L112-R117 VanDerWaalsContact CA-O 3.28Å; L112-R117 WeakPolarHBondContact CA-O 3.29Å; D113-R117 PolarHBondContact N-O 3.41Å; D113-R117 WeakPolarHBondContact OD1-CB 3.47Å; D113-R117 PolarHBondContact OD1-N 3.48Å; N115-R117 HydrophobicContact CB-CG 4.44Å; R117-V119 PolarHBondContact O-N 3.04Å
118	E	91.9	Very high	92.9	Very high	103 Å²	103	51.3 Å²	51.3	48%	0.481	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	135.2	176.3	-67.4	-175.9	119.8	0	0	111.9	N109 G111 L112 F120	N109-E118 PolarHBondContact ND2-OE1 3.41Å; G111-E118 CarbonylContact O-C 3.48Å; G111-E118 WeakPolarHBondContact O-CA 3.33Å; L112-E118 HydrophobicContact CD2-CB 4.5Å; L112-E118 HydrophobicContact CD2-CG 3.84Å; E118-F120 HydrophobicContact CB-CD2 4.15Å; E118-F120 HydrophobicContact CB-CE2 3.5Å; E118-F120 VanDerWaalsContact CB-CE2 3.5Å; E118-F120 HydrophobicContact CB-CZ 4.21Å; E118-F120 HydrophobicContact CG-CE2 4.4Å
119	V	94.2	Very high	92.9	Very high	57 Å²	57	52.5 Å²	52.5	35%	0.345	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	113	177.7	-178.8	0	0	0	0	109.1	N109 L110 G111 D113 R117	N109-V119 PolarHBondContact OD1-O 3.42Å; L110-V119 PolarHBondContact N-O 3.07Å; G111-V119 PolarHBondContact O-N 3.34Å; D113-V119 HydrophobicContact CB-CG2 3.74Å; R117-V119 PolarHBondContact O-N 3.04Å
120	F	96	Very high	93.1	Very high	108 Å²	108	51.9 Å²	51.9	47%	0.474	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	137.3	176.5	-67.6	-93.8	0	0	0	111.1	V108 N109 E118	V108-F120 WeakPolarHBondContact O-CA 3.37Å; N109-F120 HydrophobicContact CB-CD1 3.94Å; N109-F120 HydrophobicContact CB-CE1 3.6Å; N109-F120 HydrophobicContact CB-CZ 4.03Å; E118-F120 HydrophobicContact CB-CD2 4.15Å; E118-F120 HydrophobicContact CB-CE2 3.5Å; E118-F120 VanDerWaalsContact CB-CE2 3.5Å; E118-F120 HydrophobicContact CB-CZ 4.21Å; E118-F120 HydrophobicContact CG-CE2 4.4Å
121	V	95.8	Very high	93.2	Very high	10 Å²	10	51.8 Å²	51.8	6%	0.061	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	156.4	176.7	-64.3	0	0	0	0	110.6	V5 I7 T107 V108 L110	V5-V121 HydrophobicContact CG1-CG1 4.36Å; I7-V121 HydrophobicContact CD1-CB 3.94Å; I7-V121 HydrophobicContact CD1-CG1 4.16Å; I7-V121 HydrophobicContact CD1-CG2 3.52Å; T107-V121 CarbonylContact C-O 3.6Å; T107-V121 WeakPolarHBondContact CA-O 3.43Å; T107-V121 VanDerWaalsContact CB-O 3.29Å; T107-V121 WeakPolarHBondContact CB-O 3.32Å; V108-V121 PolarHBondContact N-O 3.27Å; V108-V121 PolarHBondContact O-N 3.37Å; L110-V121 HydrophobicContact CD1-CB 4.33Å; L110-V121 HydrophobicContact CD1-CG1 3.48Å; L110-V121 VanDerWaalsContact CD1-CG1 3.48Å; L110-V121 HydrophobicContact CD1-CG2 3.93Å; L110-V121 HydrophobicContact CD2-CG2 3.88Å; L110-V121 HydrophobicContact CG-CB 4.47Å; L110-V121 HydrophobicContact CG-CG1 3.98Å; L110-V121 HydrophobicContact CG-CG2 3.67Å
122	P	96.3	Very high	93.6	Very high	52 Å²	52	50.6 Å²	50.6	34%	0.338	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	141.2	172	-24.8	34.7	0	0	0	111.6	S124 A125	P122-S124 PolarHBondContact O-N 2.89Å; P122-A125 HydrophobicContact CB-CB 4.28Å; P122-A125 VanDerWaalsContact O-CB 3.26Å; P122-A125 WeakPolarHBondContact O-CB 3.37Å; P122-A125 PolarHBondContact O-N 3.24Å
123	F	95.7	Very high	93.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-58	-40	-179.1	-162	-82	0	0	0	112	L102 T103 G106 V108 A125 L126 I486 E487 L490	L102-F123 HydrophobicContact CD1-CD2 4.03Å; L102-F123 HydrophobicContact CD1-CE2 4.08Å; L102-F123 HydrophobicContact CD2-CE1 4.45Å; L102-F123 HydrophobicContact CD2-CE2 4.3Å; L102-F123 HydrophobicContact CD2-CZ 4.11Å; L102-F123 HydrophobicContact CG-CD2 4.23Å; L102-F123 HydrophobicContact CG-CE1 4.47Å; L102-F123 HydrophobicContact CG-CE2 4.19Å; L102-F123 HydrophobicContact CG-CG 4.43Å; L102-F123 HydrophobicContact CG-CZ 4.31Å; L102-F123 WeakPolarHBondContact O-CB 3.25Å; T103-F123 HydrophobicContact CG2-CD1 4.37Å; G106-F123 WeakPolarHBondContact O-CB 3.47Å; G106-F123 PolarHBondContact O-N 3.15Å; V108-F123 HydrophobicContact CG2-CB 4.49Å; V108-F123 HydrophobicContact CG2-CD2 3.33Å; V108-F123 HydrophobicContact CG2-CE2 3.7Å; V108-F123 HydrophobicContact CG2-CG 4.11Å; F123-A125 PolarHBondContact O-N 3.44Å; F123-L126 PolarHBondContact O-N 3.28Å; F123-I486 HydrophobicContact CE1-CG2 3.88Å; F123-I486 HydrophobicContact CZ-CB 4.26Å; F123-I486 HydrophobicContact CZ-CG2 3.57Å; F123-E487 HydrophobicContact CE2-CB 4.43Å; F123-L490 HydrophobicContact CD1-CD1 4.06Å; F123-L490 HydrophobicContact CE1-CD1 3.32Å; F123-L490 HydrophobicContact CZ-CD1 3.83Å
124	S	95.2	Very high	94.3	Very high	37 Å²	37	51.3 Å²	51.3	26%	0.259	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-67.9	-10.9	176.1	54.4	0	0	0	0	114.8	T103 P122	T103-S124 VanDerWaalsContact O-CB 3.31Å; T103-S124 WeakPolarHBondContact O-CB 3.31Å; T103-S124 PolarHBondContact O-N 3.32Å; T103-S124 PolarHBondContact O-OG 2.98Å; P122-S124 PolarHBondContact O-N 2.89Å
125	A	94.8	Very high	94.8	Very high	21 Å²	21	47.2 Å²	47.2	17%	0.174	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-80.8	-18	178.8	0	0	0	0	0	113.1	I7 P122 F123 L127	I7-A125 HydrophobicContact CD1-CB 3.65Å; I7-A125 WeakPolarHBondContact CD1-O 3.43Å; I7-A125 HydrophobicContact CG1-CB 4.15Å; P122-A125 HydrophobicContact CB-CB 4.28Å; P122-A125 VanDerWaalsContact O-CB 3.26Å; P122-A125 WeakPolarHBondContact O-CB 3.37Å; P122-A125 PolarHBondContact O-N 3.24Å; F123-A125 PolarHBondContact O-N 3.44Å; A125-L127 VanDerWaalsContact C-N 3.33Å; A125-L127 PolarHBondContact O-N 3.04Å
126	L	95.3	Very high	95.3	Very high	4 Å²	4	43 Å²	43	2%	0.021	23%	0.234	C	C	.	.	S	Bend	trans	-62.8	-37	-178.1	-73.2	178.7	0	0	0	113.1	I7 V108 L110 F123 L490 V494	I7-L126 HydrophobicContact CD1-CD2 4.23Å; V108-L126 HydrophobicContact CB-CD1 4.23Å; V108-L126 HydrophobicContact CG1-CD1 4.16Å; V108-L126 HydrophobicContact CG2-CD1 3.91Å; L110-L126 HydrophobicContact CD2-CD2 3.88Å; F123-L126 PolarHBondContact O-N 3.28Å; L126-L490 HydrophobicContact CB-CB 4.3Å; L126-L490 HydrophobicContact CD1-CB 3.77Å; L126-L490 HydrophobicContact CD1-CD1 4.17Å; L126-V494 WeakPolarHBondContact O-CG1 3.29Å
127	L	96.3	Very high	96	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.026	22%	0.223	C	C	.	.	S	Bend	trans	-143.6	149.6	178.7	-70.1	177.3	0	0	0	109.8	I21 T52 A125 M129 L436 L490 C493 V494	I21-L127 HydrophobicContact CD1-CD2 3.82Å; T52-L127 HydrophobicContact CG2-CD1 4.23Å; T52-L127 HydrophobicContact CG2-CD2 4.23Å; A125-L127 VanDerWaalsContact C-N 3.33Å; A125-L127 PolarHBondContact O-N 3.04Å; L127-M129 PolarHBondContact O-N 3.48Å; L127-M129 VanDerWaalsContact O-N 3.16Å; L127-L436 HydrophobicContact CB-CD1 4.09Å; L127-L436 HydrophobicContact CB-CD2 4.44Å; L127-L436 HydrophobicContact CD1-CD1 4.12Å; L127-L436 HydrophobicContact CD1-CD2 4.31Å; L127-L490 HydrophobicContact CD1-CB 4.49Å; L127-L490 HydrophobicContact CD1-CD2 3.51Å; L127-L490 HydrophobicContact CG-CD2 4.39Å; L127-C493 HydrophobicContact CD1-CB 3.59Å; L127-C493 HydrophobicContact CD2-CB 3.96Å; L127-C493 HydrophobicContact CG-CB 4.31Å; L127-V494 HydrophobicContact CD2-CG1 3.54Å; L127-V494 HydrophobicContact CG-CG1 4.45Å
128	P	95.7	Very high	96.5	Very high	40 Å²	40	35.2 Å²	35.2	26%	0.26	20%	0.196	S	C	.	.			trans	-55	122.4	173.6	-24.1	33.9	0	0	0	110.9	R54 V56 R439	R54-P128 HydrophobicContact CB-CG 4.4Å; R54-P128 HydrophobicContact CG-CG 4.33Å; V56-P128 HydrophobicContact CG2-CB 4.05Å; P128-R439 VanDerWaalsContact O-CZ 3.31Å; P128-R439 PolarHBondContact O-NH1 3.47Å; P128-R439 PolarHBondContact O-NH2 2.98Å
129	M	95.5	Very high	96.8	Very high	27 Å²	27	30.3 Å²	30.3	13%	0.133	17%	0.173	C	C	.	.			trans	-129.3	149	-174.6	-168.1	179.7	-69.5	0	0	110.2	T103 L127 S131 L432 L433 L436	T103-M129 HydrophobicContact CG2-CE 3.99Å; T103-M129 HydrophobicContact CG2-SD 3.93Å; L127-M129 PolarHBondContact O-N 3.48Å; L127-M129 VanDerWaalsContact O-N 3.16Å; M129-S131 PolarHBondContact O-N 2.81Å; M129-L432 HydrophobicContact CG-CB 4.26Å; M129-L432 HydrophobicContact SD-CB 3.95Å; M129-L432 HydrophobicContact SD-CD1 4.17Å; M129-L433 HydrophobicContact CE-CD2 4.48Å; M129-L436 HydrophobicContact CE-CD2 3.9Å
130	V	97.7	Very high	97	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.018	16%	0.157	C	C	.	.			trans	-56.6	131.5	170.5	175.3	0	0	0	0	109.7	V56 P57 L59 L135 L432 E435	V56-V130 VanDerWaalsContact CG1-CA 3.49Å; V56-V130 HydrophobicContact CG1-CB 3.98Å; V56-V130 HydrophobicContact CG1-CG2 3.38Å; P57-V130 HydrophobicContact CG-CG2 4.35Å; L59-V130 HydrophobicContact CB-CG1 4.21Å; L59-V130 HydrophobicContact CB-CG2 4.24Å; L59-V130 HydrophobicContact CD2-CB 4.46Å; L59-V130 HydrophobicContact CD2-CG1 4.25Å; L59-V130 HydrophobicContact CD2-CG2 4.15Å; V130-L135 HydrophobicContact CG1-CD2 3.74Å; V130-L432 HydrophobicContact CB-CD2 3.73Å; V130-L432 HydrophobicContact CG1-CD2 4.03Å; V130-L432 VanDerWaalsContact O-CD2 3.25Å; V130-L432 WeakPolarHBondContact O-CD2 3.39Å; V130-E435 HydrophobicContact CG2-CG 3.89Å
131	S	97.1	Very high	97.2	Very high	43 Å²	43	22.6 Å²	22.6	30%	0.301	14%	0.135	S	C	.	.			trans	-71.1	133.2	169.3	-171	0	0	0	0	109.3	M129 N133 D134	M129-S131 PolarHBondContact O-N 2.81Å; S131-N133 PolarHBondContact O-N 3.11Å; S131-N133 VanDerWaalsContact O-N 3.07Å; S131-N133 PolarHBondContact OG-N 3.26Å; S131-D134 VanDerWaalsContact CB-OD2 3.31Å; S131-D134 WeakPolarHBondContact CB-OD2 3.36Å; S131-D134 PolarHBondContact O-N 2.79Å
132	P	97.8	Very high	97.3	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-50.3	-33.2	170.2	-26.9	31.7	0	0	0	113.6	V78 Y98 Q104 D134 L135 L428 L432	V78-P132 WeakPolarHBondContact CG1-O 3.12Å; Y98-P132 HydrophobicContact CD2-CB 4.4Å; Y98-P132 HydrophobicContact CD2-CG 4.31Å; Y98-P132 HydrophobicContact CE1-CB 3.89Å; Y98-P132 HydrophobicContact CE2-CB 3.69Å; Y98-P132 HydrophobicContact CE2-CG 4.01Å; Y98-P132 WeakPolarHBondContact OH-CB 3.15Å; Q104-P132 HydrophobicContact CG-CG 3.61Å; Q104-P132 VanDerWaalsContact OE1-CD 3.32Å; Q104-P132 VanDerWaalsContact OE1-CG 3.3Å; P132-D134 PolarHBondContact O-N 2.84Å; P132-L135 WeakPolarHBondContact O-CB 3.21Å; P132-L135 WeakPolarHBondContact O-CG 3.42Å; P132-L135 PolarHBondContact O-N 2.84Å; P132-L428 HydrophobicContact CB-CD1 3.75Å; P132-L428 HydrophobicContact CB-CD2 3.96Å; P132-L428 HydrophobicContact CB-CG 4.43Å; P132-L428 HydrophobicContact CG-CD1 4.01Å; P132-L428 HydrophobicContact CG-CD2 3.84Å; P132-L428 HydrophobicContact CG-CG 4.33Å; P132-L432 HydrophobicContact CG-CD1 4.1Å
133	N	98.2	Very high	97.4	Very high	39 Å²	39	20.6 Å²	20.6	21%	0.209	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-68.9	-16.6	-179.7	-72.2	-33.6	0	0	0	113.1	N81 R82 Y98 S131	N81-N133 WeakPolarHBondContact CB-OD1 3.23Å; R82-N133 PolarHBondContact N-OD1 2.96Å; R82-N133 PolarHBondContact NE-O 2.93Å; R82-N133 PolarHBondContact NH2-O 3.29Å; Y98-N133 PolarHBondContact OH-OD1 2.73Å; S131-N133 PolarHBondContact O-N 3.11Å; S131-N133 VanDerWaalsContact O-N 3.07Å; S131-N133 PolarHBondContact OG-N 3.26Å
134	D	97.9	Very high	97.5	Very high	103 Å²	103	22.7 Å²	22.7	55%	0.551	14%	0.136	S	C	*	.	G	3₁₀ helix	trans	-96.9	-4	-179.1	-60.8	-31.6	0	0	0	112.7	S131 P132	S131-D134 VanDerWaalsContact CB-OD2 3.31Å; S131-D134 WeakPolarHBondContact CB-OD2 3.36Å; S131-D134 PolarHBondContact O-N 2.79Å; P132-D134 PolarHBondContact O-N 2.84Å
135	L	98.7	Very high	97.7	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	14%	0.136	C	C	.	.			trans	-64.6	136.3	178.2	-61.8	178.6	0	0	0	111.5	L59 V61 R82 V130 P132 F137 L428 V431 L432	L59-L135 HydrophobicContact CB-CD2 4.1Å; L59-L135 HydrophobicContact CD2-CD2 3.64Å; L59-L135 HydrophobicContact CG-CD2 3.98Å; V61-L135 HydrophobicContact CG2-CD1 4.48Å; V61-L135 HydrophobicContact CG2-CD2 4.14Å; R82-L135 PolarHBondContact NH2-O 3.45Å; V130-L135 HydrophobicContact CG1-CD2 3.74Å; P132-L135 WeakPolarHBondContact O-CB 3.21Å; P132-L135 WeakPolarHBondContact O-CG 3.42Å; P132-L135 PolarHBondContact O-N 2.84Å; L135-F137 HydrophobicContact CB-CE2 3.95Å; L135-F137 HydrophobicContact CB-CZ 4.03Å; L135-F137 HydrophobicContact CD1-CZ 4.02Å; L135-L428 HydrophobicContact CD1-CD1 3.52Å; L135-V431 HydrophobicContact CD2-CG1 4.24Å; L135-L432 HydrophobicContact CD2-CD2 4.5Å
136	V	98.7	Very high	97.9	Very high	39 Å²	39	22.3 Å²	22.3	24%	0.236	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.2	170.8	-173.1	0	0	0	0	108.4	L59 G60 V61 F214 A218 L220	L59-V136 PolarHBondContact O-N 2.92Å; G60-V136 CarbonylContact C-O 3.58Å; G60-V136 WeakPolarHBondContact CA-O 3.36Å; V61-V136 PolarHBondContact N-O 3.48Å; V136-F214 HydrophobicContact CB-CZ 4.32Å; V136-F214 HydrophobicContact CG1-CE2 3.85Å; V136-F214 HydrophobicContact CG1-CZ 4.01Å; V136-A218 HydrophobicContact CG1-CB 4.21Å; V136-L220 HydrophobicContact CB-CD2 4.11Å; V136-L220 HydrophobicContact CG2-CD2 4.02Å
137	F	98.8	Very high	98	Very high	26 Å²	26	22.1 Å²	22.1	11%	0.114	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.7	-179.4	-66.2	-79.6	0	0	0	111.6	V61 L63 W66 L74 T75 V78 L135	V61-F137 HydrophobicContact CB-CD1 3.8Å; V61-F137 HydrophobicContact CB-CE1 3.82Å; V61-F137 HydrophobicContact CG1-CD1 4.19Å; V61-F137 HydrophobicContact CG1-CE1 4.04Å; V61-F137 HydrophobicContact CG2-CE1 4.18Å; V61-F137 WeakPolarHBondContact O-CA 3.35Å; L63-F137 HydrophobicContact CD1-CD1 4.16Å; L63-F137 HydrophobicContact CD1-CE1 4.46Å; L63-F137 HydrophobicContact CG-CD1 4.5Å; W66-F137 HydrophobicContact CZ2-CB 3.81Å; L74-F137 HydrophobicContact CD1-CZ 4.46Å; L74-F137 HydrophobicContact CD2-CE1 3.78Å; L74-F137 HydrophobicContact CD2-CZ 4.12Å; L74-F137 HydrophobicContact CG-CE1 4.02Å; L74-F137 HydrophobicContact CG-CZ 3.92Å; T75-F137 HydrophobicContact CG2-CD2 4.41Å; V78-F137 HydrophobicContact CB-CE2 3.83Å; V78-F137 HydrophobicContact CB-CZ 4.48Å; V78-F137 HydrophobicContact CG1-CE2 3.98Å; V78-F137 HydrophobicContact CG2-CE2 3.75Å; V78-F137 HydrophobicContact CG2-CZ 3.92Å; L135-F137 HydrophobicContact CB-CE2 3.95Å; L135-F137 HydrophobicContact CB-CZ 4.03Å; L135-F137 HydrophobicContact CD1-CZ 4.02Å
138	D	98.8	Very high	98.1	Very high	19 Å²	19	21.9 Å²	21.9	10%	0.102	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	-177	162.5	-164.1	-15.5	0	0	0	106.5	V61 M62 L63 R175 F214	V61-D138 PolarHBondContact O-N 3.07Å; V61-D138 VanDerWaalsContact O-N 3.11Å; M62-D138 VanDerWaalsContact CA-O 3.27Å; M62-D138 WeakPolarHBondContact CA-O 3.28Å; M62-D138 HydrophobicContact CE-CB 4.24Å; M62-D138 HydrophobicContact CG-CB 4.48Å; L63-D138 PolarHBondContact N-O 3.33Å; D138-R175 IonicContact OD1-NE 3.17Å; D138-R175 PolarHBondContact OD1-NE 2.98Å; D138-R175 IonicContact OD2-CZ 2.84Å; D138-R175 VanDerWaalsContact OD2-CZ 3.29Å; D138-R175 IonicContact OD2-NE 3.94Å; D138-R175 PolarHBondContact OD2-NE 2.8Å; D138-R175 IonicContact OD2-NH2 3.65Å; D138-R175 PolarHBondContact OD2-NH2 3.25Å; D138-F214 HydrophobicContact CB-CD1 4.25Å; D138-F214 HydrophobicContact CB-CD2 3.39Å; D138-F214 HydrophobicContact CB-CE1 4.2Å; D138-F214 HydrophobicContact CB-CE2 3.38Å; D138-F214 HydrophobicContact CB-CG 3.85Å; D138-F214 HydrophobicContact CB-CZ 3.78Å; D138-F214 WeakPolarHBondContact OD2-CD2 3.31Å
139	G	98.7	Very high	98.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.9	-171.3	175.6	0	0	0	0	0	113.4	L63 W66 R175	L63-G139 CarbonylContact O-C 3.5Å; L63-G139 VanDerWaalsContact O-CA 3.23Å; L63-G139 WeakPolarHBondContact O-CA 3.43Å; W66-G139 VanDerWaalsContact CE3-N 3.33Å; G139-R175 WeakPolarHBondContact O-CB 3.42Å; G139-R175 PolarHBondContact O-N 2.95Å
140	W	98.9	Very high	98.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149	-173.4	-54.4	-95.7	0	0	0	110.3	M62 L63 V64 G65 W66 R175 P176 I207 D210 I211 V225 F264	M62-W140 HydrophobicContact CB-CE3 4.4Å; M62-W140 HydrophobicContact CB-CH2 3.86Å; M62-W140 HydrophobicContact CB-CZ3 3.5Å; M62-W140 HydrophobicContact CE-CE3 4.43Å; M62-W140 HydrophobicContact CE-CH2 3.27Å; M62-W140 HydrophobicContact CE-CZ2 3.34Å; M62-W140 HydrophobicContact CE-CZ3 3.86Å; M62-W140 HydrophobicContact CG-CH2 4.3Å; M62-W140 HydrophobicContact CG-CZ3 4.38Å; M62-W140 HydrophobicContact SD-CH2 3.46Å; M62-W140 WeakPolarHBondContact SD-CH2 3.14Å; M62-W140 HydrophobicContact SD-CZ2 4.04Å; M62-W140 HydrophobicContact SD-CZ3 4.12Å; L63-W140 PolarHBondContact O-N 2.96Å; V64-W140 HydrophobicContact CG2-CE3 4Å; V64-W140 HydrophobicContact CG2-CZ3 4.28Å; G65-W140 WeakPolarHBondContact CA-O 3.4Å; G65-W140 PolarHBondContact N-O 3.19Å; W66-W140 PolarHBondContact N-O 3.18Å; W140-R175 VanDerWaalsContact CA-O 3.31Å; W140-R175 WeakPolarHBondContact CA-O 3.48Å; W140-R175 VanDerWaalsContact CD1-CB 3.42Å; W140-R175 HydrophobicContact CG-CB 4.12Å; W140-P176 VanDerWaalsContact CD1-O 3.24Å; W140-I207 HydrophobicContact CH2-CG2 4.3Å; W140-I207 HydrophobicContact CZ2-CG2 3.99Å; W140-D210 HydrophobicContact CZ2-CB 3.62Å; W140-D210 PolarHBondContact NE1-OD2 2.92Å; W140-I211 HydrophobicContact CH2-CD1 4.42Å; W140-I211 HydrophobicContact CH2-CG1 3.79Å; W140-I211 HydrophobicContact CZ2-CG1 4.13Å; W140-V225 HydrophobicContact CZ3-CG1 4.25Å; W140-F264 HydrophobicContact CB-CE1 4.39Å; W140-F264 HydrophobicContact CB-CZ 4.21Å; W140-F264 AromaticContact CD2-CE1 3.56Å; W140-F264 HydrophobicContact CD2-CE1 3.56Å; W140-F264 HydrophobicContact CD2-CZ 4.25Å; W140-F264 AromaticContact CE2-CE1 3.94Å; W140-F264 HydrophobicContact CE3-CD1 4.23Å; W140-F264 AromaticContact CE3-CE1 3.65Å; W140-F264 HydrophobicContact CE3-CE1 3.65Å; W140-F264 AromaticContact CG-CE1 3.9Å; W140-F264 HydrophobicContact CG-CE1 3.9Å; W140-F264 HydrophobicContact CG-CZ 4.11Å; W140-F264 HydrophobicContact CH2-CE1 4.4Å; W140-F264 HydrophobicContact CZ2-CE1 4.35Å; W140-F264 HydrophobicContact CZ3-CD1 4.25Å; W140-F264 HydrophobicContact CZ3-CE1 4.07Å
141	D	98.8	Very high	98.5	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.016	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	143.9	167.4	-158.6	-50.4	0	0	0	109	G67 G68 S143 P174 R175 R191 N194	G67-D141 VanDerWaalsContact C-OD2 3.24Å; G67-D141 WeakPolarHBondContact CA-OD2 3.31Å; G67-D141 PolarHBondContact N-OD2 3.3Å; G68-D141 PolarHBondContact N-OD2 3.28Å; D141-S143 PolarHBondContact O-N 2.88Å; D141-S143 WeakPolarHBondContact OD1-CB 3.38Å; D141-S143 PolarHBondContact OD1-N 2.75Å; D141-P174 HydrophobicContact CB-CB 3.47Å; D141-P174 VanDerWaalsContact CB-CB 3.47Å; D141-P174 HydrophobicContact CB-CG 3.79Å; D141-R175 PolarHBondContact N-O 3.38Å; D141-R175 VanDerWaalsContact N-O 3.08Å; D141-R191 VanDerWaalsContact CG-NH2 3.27Å; D141-R191 IonicContact OD1-CZ 2.81Å; D141-R191 IonicContact OD1-NH1 2.72Å; D141-R191 PolarHBondContact OD1-NH1 2.83Å; D141-R191 IonicContact OD1-NH2 2.73Å; D141-R191 PolarHBondContact OD1-NH2 3.37Å; D141-R191 IonicContact OD2-CZ 3.46Å; D141-R191 IonicContact OD2-NH1 3.28Å; D141-R191 IonicContact OD2-NH2 2.76Å; D141-R191 PolarHBondContact OD2-NH2 2.86Å; D141-N194 PolarHBondContact O-ND2 3.38Å; D141-N194 VanDerWaalsContact O-ND2 3.13Å
142	I	98.5	Very high	98.5	Very high	14 Å²	14	25.9 Å²	25.9	7%	0.072	13%	0.13	C	C	.	.	S	Bend	trans	-66.6	-15.5	172.3	62.1	173.3	0	0	0	111.8	Y179 I184 A192 D193 N194 L195	I142-Y179 HydrophobicContact CD1-CD2 4.49Å; I142-I184 HydrophobicContact CD1-CD1 4.21Å; I142-A192 HydrophobicContact CB-CB 4.35Å; I142-A192 HydrophobicContact CD1-CB 4.27Å; I142-A192 CarbonylContact O-C 3.51Å; I142-A192 WeakPolarHBondContact O-CA 3.49Å; I142-D193 PolarHBondContact O-N 3.2Å; I142-N194 WeakPolarHBondContact O-CB 3.44Å; I142-N194 PolarHBondContact O-N 2.91Å; I142-L195 HydrophobicContact CB-CD2 3.97Å; I142-L195 HydrophobicContact CG2-CD2 4.01Å
143	S	98.4	Very high	98.5	Very high	6 Å²	6	30 Å²	30	4%	0.042	15%	0.146	C	C	.	.	S	Bend	trans	-98.5	136.1	174	-173.3	0	0	0	0	111.6	D141 L145 R153 R191 D193	D141-S143 PolarHBondContact O-N 2.88Å; D141-S143 WeakPolarHBondContact OD1-CB 3.38Å; D141-S143 PolarHBondContact OD1-N 2.75Å; S143-L145 VanDerWaalsContact C-N 3.32Å; S143-L145 PolarHBondContact O-N 3.44Å; S143-R153 PolarHBondContact OG-NH1 3.11Å; S143-R191 WeakPolarHBondContact CA-O 3.4Å; S143-D193 VanDerWaalsContact CA-OD1 3.25Å; S143-D193 WeakPolarHBondContact CA-OD1 3.33Å
144	S	98.1	Very high	98.5	Very high	45 Å²	45	28.5 Å²	28.5	32%	0.315	14%	0.138	S	C	.	.			trans	-81	-5.3	-178.6	69.5	0	0	0	0	115	N146 D193	S144-N146 PolarHBondContact O-N 2.67Å; S144-D193 WeakPolarHBondContact CB-OD1 3.4Å; S144-D193 PolarHBondContact N-OD1 3.05Å; S144-D193 PolarHBondContact OG-OD1 3.02Å; S144-D193 PolarHBondContact OG-OD2 3.32Å
145	L	98.4	Very high	98.5	Very high	47 Å²	47	31 Å²	31	25%	0.246	15%	0.146	C	C	.	.			trans	-57.7	136.9	-179	-66.4	-166.5	0	0	0	111	S143 E149 P174	S143-L145 VanDerWaalsContact C-N 3.32Å; S143-L145 PolarHBondContact O-N 3.44Å; L145-E149 HydrophobicContact CB-CB 4.07Å; L145-E149 HydrophobicContact CD1-CB 4.2Å; L145-E149 HydrophobicContact CD2-CB 4.32Å; L145-E149 HydrophobicContact CG-CB 4.43Å; L145-P174 WeakPolarHBondContact O-CD 3.4Å
146	N	98.8	Very high	98.5	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.011	15%	0.151	C	C	.	.			trans	-69.3	168.2	170.4	71.3	55.2	0	0	0	110.9	S144 A148 E149 A150 E170 L172 R173	S144-N146 PolarHBondContact O-N 2.67Å; N146-A148 VanDerWaalsContact C-N 3.3Å; N146-A148 PolarHBondContact O-N 2.83Å; N146-A148 WeakPolarHBondContact OD1-CA 3.42Å; N146-A148 WeakPolarHBondContact OD1-CB 3.4Å; N146-A148 PolarHBondContact OD1-N 2.98Å; N146-E149 PolarHBondContact N-OE2 2.77Å; N146-E149 VanDerWaalsContact N-OE2 3.1Å; N146-E149 VanDerWaalsContact ND2-CD 3.32Å; N146-E149 PolarHBondContact ND2-OE2 3.16Å; N146-E149 VanDerWaalsContact ND2-OE2 3.13Å; N146-E149 PolarHBondContact O-N 2.91Å; N146-E149 PolarHBondContact OD1-N 3.02Å; N146-A150 WeakPolarHBondContact O-CB 3.46Å; N146-A150 PolarHBondContact O-N 2.83Å; N146-E170 VanDerWaalsContact CB-O 3.28Å; N146-E170 WeakPolarHBondContact CB-O 3.33Å; N146-L172 CarbonylContact C-O 3.57Å; N146-L172 WeakPolarHBondContact CA-O 3.45Å; N146-L172 WeakPolarHBondContact CB-O 3.4Å; N146-R173 HydrophobicContact CB-CG 3.83Å
147	L	98.8	Very high	98.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.6	-25.7	-173.7	-85.9	-72.1	0	0	0	113.3	W66 M151 M169 L172 P174	W66-L147 HydrophobicContact CD2-CD1 4.46Å; W66-L147 HydrophobicContact CD2-CD2 3.83Å; W66-L147 HydrophobicContact CD2-CG 4.36Å; W66-L147 HydrophobicContact CE3-CD2 4.07Å; W66-L147 HydrophobicContact CG-CD1 4.29Å; W66-L147 HydrophobicContact CG-CD2 4.26Å; W66-L147 HydrophobicContact CH2-CD2 4.4Å; W66-L147 HydrophobicContact CZ2-CD2 4.18Å; W66-L147 HydrophobicContact CZ2-CG 4.18Å; W66-L147 HydrophobicContact CZ3-CD2 4.34Å; L147-M151 VanDerWaalsContact O-CB 3.25Å; L147-M151 WeakPolarHBondContact O-CB 3.38Å; L147-M151 PolarHBondContact O-N 3.36Å; L147-M169 HydrophobicContact CB-CB 4.1Å; L147-M169 HydrophobicContact CB-CE 3.83Å; L147-M169 HydrophobicContact CD1-CE 4.43Å; L147-M169 PolarHBondContact N-O 2.72Å; L147-L172 HydrophobicContact CB-CB 3.98Å; L147-L172 HydrophobicContact CD2-CB 4.15Å; L147-L172 WeakPolarHBondContact CD2-O 3.49Å; L147-L172 HydrophobicContact CG-CB 4Å; L147-L172 PolarHBondContact N-O 3.45Å; L147-P174 HydrophobicContact CD2-CG 3.94Å
148	A	98.7	Very high	98.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-70.7	-43.5	173.6	0	0	0	0	0	111.6	N146 M151 R152 W166 M169 E170	N146-A148 VanDerWaalsContact C-N 3.3Å; N146-A148 PolarHBondContact O-N 2.83Å; N146-A148 WeakPolarHBondContact OD1-CA 3.42Å; N146-A148 WeakPolarHBondContact OD1-CB 3.4Å; N146-A148 PolarHBondContact OD1-N 2.98Å; A148-M151 PolarHBondContact O-N 3.02Å; A148-R152 PolarHBondContact O-N 3.41Å; A148-W166 HydrophobicContact CB-CD2 3.73Å; A148-W166 HydrophobicContact CB-CE3 3.84Å; A148-W166 HydrophobicContact CB-CG 4.15Å; A148-W166 HydrophobicContact CB-CH2 4.3Å; A148-W166 HydrophobicContact CB-CZ2 4.23Å; A148-W166 HydrophobicContact CB-CZ3 4.12Å; A148-M169 HydrophobicContact CB-CB 3.94Å; A148-M169 PolarHBondContact N-O 3.11Å; A148-E170 HydrophobicContact CB-CB 4.19Å
149	E	98.7	Very high	98.4	Very high	55 Å²	55	37.2 Å²	37.2	26%	0.257	19%	0.186	S	C	.	.	H	α-helix	trans	-65.1	-39.7	173.5	-66.6	172.9	140.4	0	0	111.7	L145 N146 R152 R153 W166	L145-E149 HydrophobicContact CB-CB 4.07Å; L145-E149 HydrophobicContact CD1-CB 4.2Å; L145-E149 HydrophobicContact CD2-CB 4.32Å; L145-E149 HydrophobicContact CG-CB 4.43Å; N146-E149 PolarHBondContact N-OE2 2.77Å; N146-E149 VanDerWaalsContact N-OE2 3.1Å; N146-E149 VanDerWaalsContact ND2-CD 3.32Å; N146-E149 PolarHBondContact ND2-OE2 3.16Å; N146-E149 VanDerWaalsContact ND2-OE2 3.13Å; N146-E149 PolarHBondContact O-N 2.91Å; N146-E149 PolarHBondContact OD1-N 3.02Å; E149-R152 PolarHBondContact O-N 3.48Å; E149-R153 WeakPolarHBondContact O-CB 3.22Å; E149-R153 PolarHBondContact O-N 3.4Å; E149-W166 HydrophobicContact CG-CH2 4.32Å
150	A	98.6	Very high	98.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-44.6	174.6	0	0	0	0	0	112.1	G67 N146 R152 R153 A154	G67-A150 WeakPolarHBondContact O-CB 3.29Å; N146-A150 WeakPolarHBondContact O-CB 3.46Å; N146-A150 PolarHBondContact O-N 2.83Å; A150-R152 VanDerWaalsContact C-N 3.34Å; A150-R152 PolarHBondContact O-N 2.81Å; A150-R153 PolarHBondContact O-N 3.45Å; A150-A154 WeakPolarHBondContact O-CB 3.42Å; A150-A154 PolarHBondContact O-N 2.95Å
151	M	98.6	Very high	98.3	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.02	20%	0.2	C	C	.	.	H	α-helix	trans	-58.6	-45.5	174.7	174.1	-178.2	61.5	0	0	111.2	A76 L147 A148 A154 Q155 L157 Q162 L165 M169	A76-M151 HydrophobicContact CB-SD 4.34Å; L147-M151 VanDerWaalsContact O-CB 3.25Å; L147-M151 WeakPolarHBondContact O-CB 3.38Å; L147-M151 PolarHBondContact O-N 3.36Å; A148-M151 PolarHBondContact O-N 3.02Å; M151-A154 PolarHBondContact O-N 2.89Å; M151-Q155 PolarHBondContact O-N 2.99Å; M151-L157 HydrophobicContact CG-CD1 4.19Å; M151-L157 HydrophobicContact SD-CD1 3.91Å; M151-Q162 HydrophobicContact CE-CB 3.68Å; M151-Q162 HydrophobicContact CE-CG 4.03Å; M151-Q162 WeakPolarHBondContact CE-O 3.41Å; M151-Q162 HydrophobicContact CG-CG 3.96Å; M151-Q162 HydrophobicContact SD-CB 4.11Å; M151-Q162 HydrophobicContact SD-CG 3.86Å; M151-L165 HydrophobicContact CE-CB 4.19Å; M151-L165 HydrophobicContact SD-CB 4.21Å; M151-L165 HydrophobicContact SD-CD1 4.15Å; M151-M169 HydrophobicContact CB-CE 4.27Å; M151-M169 HydrophobicContact CE-SD 4.11Å; M151-M169 HydrophobicContact SD-CE 4.43Å; M151-M169 HydrophobicContact SD-SD 3.71Å
152	R	98.6	Very high	98.3	Very high	138 Å²	138	39.8 Å²	39.8	52%	0.521	21%	0.205	S	C	.	.	H	α-helix	trans	-62.6	-43.6	175.6	-176.6	176.1	63.5	-169.5	-2.7	112.2	A148 E149 A150 A154 Q155 W166	A148-R152 PolarHBondContact O-N 3.41Å; E149-R152 PolarHBondContact O-N 3.48Å; A150-R152 VanDerWaalsContact C-N 3.34Å; A150-R152 PolarHBondContact O-N 2.81Å; R152-A154 VanDerWaalsContact C-N 3.3Å; R152-A154 PolarHBondContact O-N 3.22Å; R152-Q155 WeakPolarHBondContact O-CG 3.15Å; R152-Q155 PolarHBondContact O-N 3.02Å; R152-W166 HydrophobicContact CB-CZ3 4.27Å
153	R	97.9	Very high	98.3	Very high	89 Å²	89	46.1 Å²	46.1	34%	0.336	23%	0.234	S	C	.	.	H	α-helix	trans	-62.2	-37.4	176.1	176.8	178.2	64.3	-164.7	-4.7	112	G67 S143 E149 A150 Q155 R191	G67-R153 PolarHBondContact O-NH2 3.32Å; S143-R153 PolarHBondContact OG-NH1 3.11Å; E149-R153 WeakPolarHBondContact O-CB 3.22Å; E149-R153 PolarHBondContact O-N 3.4Å; A150-R153 PolarHBondContact O-N 3.45Å; R153-Q155 VanDerWaalsContact C-N 3.3Å; R153-Q155 PolarHBondContact O-N 2.99Å; R153-R191 VanDerWaalsContact NH2-NH2 3.2Å
154	A	98	Very high	98.3	Very high	6 Å²	6	49.1 Å²	49.1	5%	0.05	25%	0.248	C	C	.	.	H	α-helix	trans	-69.2	-28	-177.3	0	0	0	0	0	112.8	N69 A150 M151 R152 V156	N69-A154 HydrophobicContact CB-CB 4.09Å; A150-A154 WeakPolarHBondContact O-CB 3.42Å; A150-A154 PolarHBondContact O-N 2.95Å; M151-A154 PolarHBondContact O-N 2.89Å; R152-A154 VanDerWaalsContact C-N 3.3Å; R152-A154 PolarHBondContact O-N 3.22Å; A154-V156 HydrophobicContact CB-CG2 3.93Å; A154-V156 PolarHBondContact O-N 2.64Å
155	Q	98.1	Very high	98.4	Very high	155 Å²	155	47 Å²	47	72%	0.724	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	34.5	178.9	-58.4	-175.4	-48.5	0	0	113.9	M151 R152 R153	M151-Q155 PolarHBondContact O-N 2.99Å; R152-Q155 WeakPolarHBondContact O-CG 3.15Å; R152-Q155 PolarHBondContact O-N 3.02Å; R153-Q155 VanDerWaalsContact C-N 3.3Å; R153-Q155 PolarHBondContact O-N 2.99Å
156	V	98.4	Very high	98.4	Very high	19 Å²	19	47.9 Å²	47.9	12%	0.115	23%	0.233	C	C	.	.			trans	-90.8	-46	-177.8	179.1	0	0	0	0	111.9	T73 A154 D391 L421	T73-V156 HydrophobicContact CG2-CG1 4.11Å; A154-V156 HydrophobicContact CB-CG2 3.93Å; A154-V156 PolarHBondContact O-N 2.64Å; V156-D391 HydrophobicContact CG2-CB 4.08Å; V156-L421 HydrophobicContact CG1-CD1 4.38Å; V156-L421 HydrophobicContact CG1-CD2 3.93Å; V156-L421 HydrophobicContact CG1-CG 3.72Å
157	L	98.3	Very high	98.4	Very high	28 Å²	28	51.8 Å²	51.8	15%	0.147	26%	0.258	C	S	.	.	S	Bend	trans	-92.4	152.7	-170.7	-58.2	-179.2	0	0	0	112.1	T73 A76 M151 L161 Q162 L165 L421	T73-L157 HydrophobicContact CG2-CD2 4.45Å; A76-L157 HydrophobicContact CB-CD1 3.47Å; A76-L157 VanDerWaalsContact CB-CD1 3.47Å; M151-L157 HydrophobicContact CG-CD1 4.19Å; M151-L157 HydrophobicContact SD-CD1 3.91Å; L157-L161 HydrophobicContact CB-CD2 4.38Å; L157-L161 HydrophobicContact CD1-CD2 4.22Å; L157-L161 HydrophobicContact CD2-CD2 4.41Å; L157-Q162 HydrophobicContact CB-CG 4.02Å; L157-Q162 PolarHBondContact O-NE2 3.49Å; L157-L165 HydrophobicContact CD1-CD1 4.27Å; L157-L421 HydrophobicContact CD2-CD2 4.02Å
158	D	97.9	Very high	98.4	Very high	82 Å²	82	55.7 Å²	55.7	44%	0.439	28%	0.276	S	S	.	.			trans	-55.4	138.5	171.6	-78.5	-65.4	0	0	0	111.6	W87 G160 L161 Q162	W87-D158 PolarHBondContact NE1-OD2 3.21Å; D158-G160 VanDerWaalsContact C-N 3.3Å; D158-G160 PolarHBondContact O-N 3.41Å; D158-L161 HydrophobicContact CB-CB 4.46Å; D158-L161 WeakPolarHBondContact O-CA 3.28Å; D158-L161 WeakPolarHBondContact O-CB 3.43Å; D158-L161 PolarHBondContact O-N 3.06Å; D158-Q162 PolarHBondContact O-N 2.99Å
159	C	97.5	Very high	98.4	Very high	89 Å²	89	55.7 Å²	55.7	60%	0.601	28%	0.276	S	S	*	.	H	α-helix	trans	-55	-42.4	-177.7	-59.3	0	0	0	0	113.1	L161 Q162 E163	C159-L161 PolarHBondContact O-N 3.28Å; C159-Q162 WeakPolarHBondContact O-CB 3.41Å; C159-Q162 PolarHBondContact O-N 3.12Å; C159-Q162 VanDerWaalsContact O-N 3.08Å; C159-E163 WeakPolarHBondContact O-CG 3.42Å; C159-E163 PolarHBondContact O-N 3.42Å
160	G	97.4	Very high	98.3	Very high	25 Å²	25	57.5 Å²	57.5	26%	0.258	29%	0.285	S	S	.	.	H	α-helix	trans	-67.2	-22.5	179.1	0	0	0	0	0	114	D158 Q164	D158-G160 VanDerWaalsContact C-N 3.3Å; D158-G160 PolarHBondContact O-N 3.41Å; G160-Q164 WeakPolarHBondContact O-CG 3.15Å; G160-Q164 PolarHBondContact O-NE2 2.83Å
161	L	98.6	Very high	98.3	Very high	8 Å²	8	62 Å²	62	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-79.4	-41.5	168.9	176.7	59.3	0	0	0	110.7	A80 L85 W87 L157 D158 C159 E163 Q164 L165	A80-L161 HydrophobicContact CB-CD1 4.18Å; L85-L161 HydrophobicContact CB-CD1 4.37Å; L85-L161 HydrophobicContact CD1-CD1 3.92Å; W87-L161 HydrophobicContact CD2-CB 3.92Å; W87-L161 HydrophobicContact CD2-CD1 4.21Å; W87-L161 HydrophobicContact CD2-CD2 4.24Å; W87-L161 HydrophobicContact CD2-CG 4.34Å; W87-L161 HydrophobicContact CE3-CB 4.33Å; W87-L161 HydrophobicContact CE3-CD1 3.74Å; W87-L161 HydrophobicContact CE3-CD2 4.22Å; W87-L161 HydrophobicContact CE3-CG 4.31Å; W87-L161 HydrophobicContact CG-CB 4.02Å; W87-L161 HydrophobicContact CH2-CD2 3.78Å; W87-L161 HydrophobicContact CZ2-CD2 3.77Å; W87-L161 HydrophobicContact CZ3-CD1 3.93Å; W87-L161 HydrophobicContact CZ3-CD2 4Å; W87-L161 HydrophobicContact CZ3-CG 4.49Å; L157-L161 HydrophobicContact CB-CD2 4.38Å; L157-L161 HydrophobicContact CD1-CD2 4.22Å; L157-L161 HydrophobicContact CD2-CD2 4.41Å; D158-L161 HydrophobicContact CB-CB 4.46Å; D158-L161 WeakPolarHBondContact O-CA 3.28Å; D158-L161 WeakPolarHBondContact O-CB 3.43Å; D158-L161 PolarHBondContact O-N 3.06Å; C159-L161 PolarHBondContact O-N 3.28Å; L161-E163 VanDerWaalsContact C-N 3.3Å; L161-E163 PolarHBondContact O-N 3.17Å; L161-Q164 PolarHBondContact O-N 3.31Å; L161-L165 HydrophobicContact CD1-CD1 3.8Å; L161-L165 HydrophobicContact CD1-CG 3.99Å; L161-L165 HydrophobicContact CD2-CD1 4.41Å; L161-L165 HydrophobicContact CG-CD1 3.8Å; L161-L165 HydrophobicContact CG-CG 4.4Å; L161-L165 WeakPolarHBondContact O-CG 3.42Å; L161-L165 PolarHBondContact O-N 2.72Å
162	Q	98.6	Very high	98.3	Very high	24 Å²	24	64 Å²	64	11%	0.112	33%	0.327	C	S	.	.	H	α-helix	trans	-57.1	-43.4	176.2	-63.9	-172.9	36.3	0	0	112	M151 L157 D158 C159 Q164 L165 W166	M151-Q162 HydrophobicContact CE-CB 3.68Å; M151-Q162 HydrophobicContact CE-CG 4.03Å; M151-Q162 WeakPolarHBondContact CE-O 3.41Å; M151-Q162 HydrophobicContact CG-CG 3.96Å; M151-Q162 HydrophobicContact SD-CB 4.11Å; M151-Q162 HydrophobicContact SD-CG 3.86Å; L157-Q162 HydrophobicContact CB-CG 4.02Å; L157-Q162 PolarHBondContact O-NE2 3.49Å; D158-Q162 PolarHBondContact O-N 2.99Å; C159-Q162 WeakPolarHBondContact O-CB 3.41Å; C159-Q162 PolarHBondContact O-N 3.12Å; C159-Q162 VanDerWaalsContact O-N 3.08Å; Q162-Q164 PolarHBondContact O-N 3.43Å; Q162-L165 PolarHBondContact O-N 3.04Å; Q162-W166 PolarHBondContact O-N 2.86Å
163	E	98.4	Very high	98.3	Very high	146 Å²	146	64.3 Å²	64.3	68%	0.682	33%	0.328	S	S	*	.	H	α-helix	trans	-60.5	-43.7	177.3	-72.8	170.6	-176.2	0	0	112.3	C159 L161 L165	C159-E163 WeakPolarHBondContact O-CG 3.42Å; C159-E163 PolarHBondContact O-N 3.42Å; L161-E163 VanDerWaalsContact C-N 3.3Å; L161-E163 PolarHBondContact O-N 3.17Å; E163-L165 VanDerWaalsContact C-N 3.32Å; E163-L165 PolarHBondContact O-N 3.18Å
164	Q	98.8	Very high	98.3	Very high	70 Å²	70	60.5 Å²	60.5	33%	0.327	32%	0.315	S	S	.	.	H	α-helix	trans	-66.8	-34	177.4	-71.8	176.9	69	0	0	112.4	L85 T86 G160 L161 Q162 H168	L85-Q164 HydrophobicContact CD1-CB 4.07Å; T86-Q164 PolarHBondContact O-NE2 2.93Å; G160-Q164 WeakPolarHBondContact O-CG 3.15Å; G160-Q164 PolarHBondContact O-NE2 2.83Å; L161-Q164 PolarHBondContact O-N 3.31Å; Q162-Q164 PolarHBondContact O-N 3.43Å; Q164-H168 PolarHBondContact O-CD2 3.1Å
165	L	98.8	Very high	98.4	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-84.3	-20.6	-179.3	-73.3	173.8	0	0	0	114	A76 L79 A80 L85 M151 L157 L161 Q162 E163 H168 M169	A76-L165 HydrophobicContact CB-CD1 3.7Å; L79-L165 HydrophobicContact CB-CD2 3.83Å; A80-L165 HydrophobicContact CB-CD1 4.44Å; A80-L165 HydrophobicContact CB-CD2 4.25Å; L85-L165 HydrophobicContact CD1-CD2 3.67Å; L85-L165 HydrophobicContact CD1-CG 3.99Å; M151-L165 HydrophobicContact CE-CB 4.19Å; M151-L165 HydrophobicContact SD-CB 4.21Å; M151-L165 HydrophobicContact SD-CD1 4.15Å; L157-L165 HydrophobicContact CD1-CD1 4.27Å; L161-L165 HydrophobicContact CD1-CD1 3.8Å; L161-L165 HydrophobicContact CD1-CG 3.99Å; L161-L165 HydrophobicContact CD2-CD1 4.41Å; L161-L165 HydrophobicContact CG-CD1 3.8Å; L161-L165 HydrophobicContact CG-CG 4.4Å; L161-L165 WeakPolarHBondContact O-CG 3.42Å; L161-L165 PolarHBondContact O-N 2.72Å; Q162-L165 PolarHBondContact O-N 3.04Å; E163-L165 VanDerWaalsContact C-N 3.32Å; E163-L165 PolarHBondContact O-N 3.18Å; L165-H168 WeakPolarHBondContact O-CA 3.17Å; L165-H168 WeakPolarHBondContact O-CB 3.49Å; L165-H168 PolarHBondContact O-N 2.84Å; L165-M169 HydrophobicContact CB-CG 4.44Å; L165-M169 HydrophobicContact CB-SD 3.95Å; L165-M169 HydrophobicContact CD1-SD 4.35Å; L165-M169 PolarHBondContact O-N 2.84Å; L165-M169 VanDerWaalsContact O-N 3.1Å
166	W	98.8	Very high	98.4	Very high	66 Å²	66	57.9 Å²	57.9	25%	0.25	30%	0.304	C	S	.	.	H	α-helix	trans	-46.3	-55.2	-177.9	-167.2	-77.2	0	0	0	114	A148 E149 R152 Q162 H168 M169 E170	A148-W166 HydrophobicContact CB-CD2 3.73Å; A148-W166 HydrophobicContact CB-CE3 3.84Å; A148-W166 HydrophobicContact CB-CG 4.15Å; A148-W166 HydrophobicContact CB-CH2 4.3Å; A148-W166 HydrophobicContact CB-CZ2 4.23Å; A148-W166 HydrophobicContact CB-CZ3 4.12Å; E149-W166 HydrophobicContact CG-CH2 4.32Å; R152-W166 HydrophobicContact CB-CZ3 4.27Å; Q162-W166 PolarHBondContact O-N 2.86Å; W166-H168 PolarHBondContact O-N 3Å; W166-H168 VanDerWaalsContact O-N 3.09Å; W166-M169 PolarHBondContact O-N 2.81Å; W166-M169 VanDerWaalsContact O-N 3.08Å; W166-E170 PolarHBondContact NE1-OE1 3.18Å; W166-E170 WeakPolarHBondContact O-CB 3.25Å; W166-E170 PolarHBondContact O-N 3.43Å
167	P	98.5	Very high	98.4	Very high	84 Å²	84	57.2 Å²	57.2	55%	0.545	30%	0.3	S	S	.	.	H	α-helix	trans	-64.3	-18.9	-178	27	-36.7	0	0	0	113.8
168	H	98.4	Very high	98.4	Very high	82 Å²	82	56.1 Å²	56.1	38%	0.38	30%	0.295	S	S	.	.	H	α-helix	trans	-92.1	-17.9	178.8	-58.8	-70.1	0	0	0	113.2	L79 L83 Q164 L165 W166	L79-H168 HydrophobicContact CD1-CB 4.14Å; L83-H168 VanDerWaalsContact CD1-CD2 3.47Å; L83-H168 WeakPolarHBondContact CD1-CD2 3.34Å; L83-H168 WeakPolarHBondContact CD1-NE2 3.44Å; Q164-H168 PolarHBondContact O-CD2 3.1Å; L165-H168 WeakPolarHBondContact O-CA 3.17Å; L165-H168 WeakPolarHBondContact O-CB 3.49Å; L165-H168 PolarHBondContact O-N 2.84Å; W166-H168 PolarHBondContact O-N 3Å; W166-H168 VanDerWaalsContact O-N 3.09Å
169	M	98.6	Very high	98.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-109.9	-20.1	-175.4	-64.2	-174.6	71.5	0	0	113.4	T75 A76 L79 L147 A148 M151 L165 W166 S171 L172	T75-M169 HydrophobicContact CG2-CE 4.42Å; A76-M169 HydrophobicContact CB-CE 3.9Å; A76-M169 HydrophobicContact CB-SD 3.75Å; L79-M169 HydrophobicContact CD1-CG 3.64Å; L79-M169 HydrophobicContact CD1-SD 4.45Å; L147-M169 HydrophobicContact CB-CB 4.1Å; L147-M169 HydrophobicContact CB-CE 3.83Å; L147-M169 HydrophobicContact CD1-CE 4.43Å; L147-M169 PolarHBondContact N-O 2.72Å; A148-M169 HydrophobicContact CB-CB 3.94Å; A148-M169 PolarHBondContact N-O 3.11Å; M151-M169 HydrophobicContact CB-CE 4.27Å; M151-M169 HydrophobicContact CE-SD 4.11Å; M151-M169 HydrophobicContact SD-CE 4.43Å; M151-M169 HydrophobicContact SD-SD 3.71Å; L165-M169 HydrophobicContact CB-CG 4.44Å; L165-M169 HydrophobicContact CB-SD 3.95Å; L165-M169 HydrophobicContact CD1-SD 4.35Å; L165-M169 PolarHBondContact O-N 2.84Å; L165-M169 VanDerWaalsContact O-N 3.1Å; W166-M169 PolarHBondContact O-N 2.81Å; W166-M169 VanDerWaalsContact O-N 3.08Å; M169-S171 VanDerWaalsContact C-N 3.32Å; M169-S171 PolarHBondContact O-N 3.34Å; M169-L172 PolarHBondContact O-N 3.08Å; M169-L172 VanDerWaalsContact O-N 3.15Å
170	E	98.3	Very high	98.2	Very high	93 Å²	93	49.9 Å²	49.9	44%	0.435	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-32.6	-177	-176.3	173.3	-115.7	0	0	113.4	N146 A148 W166 L172	N146-E170 VanDerWaalsContact CB-O 3.28Å; N146-E170 WeakPolarHBondContact CB-O 3.33Å; A148-E170 HydrophobicContact CB-CB 4.19Å; W166-E170 PolarHBondContact NE1-OE1 3.18Å; W166-E170 WeakPolarHBondContact O-CB 3.25Å; W166-E170 PolarHBondContact O-N 3.43Å; E170-L172 VanDerWaalsContact C-N 3.31Å
171	S	98	Very high	98	Very high	95 Å²	95	51.6 Å²	51.6	66%	0.664	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-15.3	176.9	64.5	0	0	0	0	113.5	M169 R173	M169-S171 VanDerWaalsContact C-N 3.32Å; M169-S171 PolarHBondContact O-N 3.34Å; S171-R173 PolarHBondContact O-N 3.16Å
172	L	98.5	Very high	97.8	Very high	46 Å²	46	57 Å²	57	24%	0.241	29%	0.285	C	S	.	.			trans	-84.2	114.2	-179.6	-55.3	177.4	0	0	0	108.2	W66 T75 L79 N146 L147 M169 E170	W66-L172 HydrophobicContact CH2-CB 3.96Å; W66-L172 HydrophobicContact CH2-CD2 4.42Å; W66-L172 HydrophobicContact CZ2-CB 4.18Å; W66-L172 HydrophobicContact CZ2-CD1 4.36Å; T75-L172 HydrophobicContact CG2-CD1 3.82Å; L79-L172 HydrophobicContact CD1-CD1 4.33Å; N146-L172 CarbonylContact C-O 3.57Å; N146-L172 WeakPolarHBondContact CA-O 3.45Å; N146-L172 WeakPolarHBondContact CB-O 3.4Å; L147-L172 HydrophobicContact CB-CB 3.98Å; L147-L172 HydrophobicContact CD2-CB 4.15Å; L147-L172 WeakPolarHBondContact CD2-O 3.49Å; L147-L172 HydrophobicContact CG-CB 4Å; L147-L172 PolarHBondContact N-O 3.45Å; M169-L172 PolarHBondContact O-N 3.08Å; M169-L172 VanDerWaalsContact O-N 3.15Å; E170-L172 VanDerWaalsContact C-N 3.31Å
173	R	98.6	Very high	97.6	Very high	144 Å²	144	56 Å²	56	54%	0.543	28%	0.28	S	S	.	.			trans	-123	130.1	-178.1	-71.6	-176	178	-85.7	-1.2	110.4	N146 S171	N146-R173 HydrophobicContact CB-CG 3.83Å; S171-R173 PolarHBondContact O-N 3.16Å
174	P	98.8	Very high	97.4	Very high	9 Å²	9	49.9 Å²	49.9	6%	0.058	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-62.5	140.9	173.7	-19.4	31.7	0	0	0	111.9	W66 D141 L145 L147 N194	W66-P174 HydrophobicContact CE3-CB 4.41Å; W66-P174 HydrophobicContact CE3-CG 4.47Å; D141-P174 HydrophobicContact CB-CB 3.47Å; D141-P174 VanDerWaalsContact CB-CB 3.47Å; D141-P174 HydrophobicContact CB-CG 3.79Å; L145-P174 WeakPolarHBondContact O-CD 3.4Å; L147-P174 HydrophobicContact CD2-CG 3.94Å; P174-N194 PolarHBondContact O-ND2 3.34Å
175	R	98.7	Very high	97.1	Very high	52 Å²	52	46.7 Å²	46.7	20%	0.196	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	154.2	168	-63.2	174.1	-179.2	-98.2	-4.1	110.5	D138 G139 W140 D141 S177 N194 D210	D138-R175 IonicContact OD1-NE 3.17Å; D138-R175 PolarHBondContact OD1-NE 2.98Å; D138-R175 IonicContact OD2-CZ 2.84Å; D138-R175 VanDerWaalsContact OD2-CZ 3.29Å; D138-R175 IonicContact OD2-NE 3.94Å; D138-R175 PolarHBondContact OD2-NE 2.8Å; D138-R175 IonicContact OD2-NH2 3.65Å; D138-R175 PolarHBondContact OD2-NH2 3.25Å; G139-R175 WeakPolarHBondContact O-CB 3.42Å; G139-R175 PolarHBondContact O-N 2.95Å; W140-R175 VanDerWaalsContact CA-O 3.31Å; W140-R175 WeakPolarHBondContact CA-O 3.48Å; W140-R175 VanDerWaalsContact CD1-CB 3.42Å; W140-R175 HydrophobicContact CG-CB 4.12Å; D141-R175 PolarHBondContact N-O 3.38Å; D141-R175 VanDerWaalsContact N-O 3.08Å; R175-S177 PolarHBondContact O-N 2.95Å; R175-N194 PolarHBondContact O-ND2 3.32Å; R175-D210 IonicContact NH1-OD1 2.95Å; R175-D210 PolarHBondContact NH1-OD1 2.94Å
176	P	98.8	Very high	96.6	Very high	53 Å²	53	50.6 Å²	50.6	34%	0.344	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	137.6	173.8	-19.5	29.1	0	0	0	111.3	W140 N194 I196	W140-P176 VanDerWaalsContact CD1-O 3.24Å; P176-N194 CarbonylContact C-O 3.32Å; P176-N194 VanDerWaalsContact CA-O 3.3Å; P176-N194 WeakPolarHBondContact CA-O 3.41Å; P176-N194 WeakPolarHBondContact CA-OD1 3.45Å; P176-N194 WeakPolarHBondContact CG-OD1 3.43Å; P176-I196 HydrophobicContact CB-CG1 4.05Å; P176-I196 VanDerWaalsContact O-CD1 3.29Å; P176-I196 WeakPolarHBondContact O-CD1 3.37Å; P176-I196 WeakPolarHBondContact O-CG1 3.36Å
177	S	98.7	Very high	96.1	Very high	5 Å²	5	50.4 Å²	50.4	4%	0.035	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-111.4	169.3	-177	-163.7	0	0	0	0	113.2	R175 N194 L195 I196	R175-S177 PolarHBondContact O-N 2.95Å; S177-N194 PolarHBondContact N-O 2.91Å; S177-L195 CarbonylContact O-C 3.59Å; S177-L195 VanDerWaalsContact O-CA 3.3Å; S177-L195 WeakPolarHBondContact O-CA 3.35Å; S177-I196 PolarHBondContact O-N 2.93Å
178	V	98	Very high	95.7	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.036	25%	0.247	C	C	.	.			trans	-79.9	127	170.9	-179.9	0	0	0	0	109.4	I180 I196 Q203 I207 P260 L263 F264	V178-I180 HydrophobicContact CG1-CD1 4.38Å; V178-I180 HydrophobicContact CG1-CG1 4.13Å; V178-I196 HydrophobicContact CG2-CD1 4.17Å; V178-Q203 HydrophobicContact CG2-CB 3.85Å; V178-Q203 HydrophobicContact CG2-CG 4.12Å; V178-I207 HydrophobicContact CG2-CD1 3.9Å; V178-P260 HydrophobicContact CB-CB 4.24Å; V178-P260 HydrophobicContact CG1-CB 4.06Å; V178-P260 HydrophobicContact CG1-CG 4.36Å; V178-L263 HydrophobicContact CG1-CD1 4.17Å; V178-F264 HydrophobicContact CB-CE2 4.29Å; V178-F264 HydrophobicContact CG2-CE2 4.39Å
179	Y	96.8	Very high	95.3	Very high	33 Å²	33	46.3 Å²	46.3	13%	0.129	25%	0.253	C	S	.	.			trans	-120.9	128.6	173.4	175.9	-130	0	0	0	110.2	I142 P181 I184 T189 A192 L195	I142-Y179 HydrophobicContact CD1-CD2 4.49Å; Y179-P181 HydrophobicContact CD1-CG 4.31Å; Y179-P181 HydrophobicContact CE1-CB 4.41Å; Y179-P181 HydrophobicContact CE1-CG 3.68Å; Y179-P181 HydrophobicContact CE2-CB 4.47Å; Y179-P181 HydrophobicContact CE2-CG 4.39Å; Y179-I184 HydrophobicContact CD2-CD1 3.94Å; Y179-I184 HydrophobicContact CD2-CG1 4.47Å; Y179-I184 HydrophobicContact CE2-CD1 3.61Å; Y179-I184 HydrophobicContact CE2-CG1 3.87Å; Y179-T189 PolarHBondContact OH-OG1 3.03Å; Y179-A192 HydrophobicContact CD1-CB 3.69Å; Y179-A192 HydrophobicContact CE1-CB 3.73Å; Y179-A192 HydrophobicContact CG-CB 4.1Å; Y179-L195 HydrophobicContact CD1-CD1 3.95Å; Y179-L195 HydrophobicContact CD1-CD2 4.36Å; Y179-L195 HydrophobicContact CG-CD2 4.2Å
180	I	95.1	Very high	95	Very high	7 Å²	7	51.4 Å²	51.4	4%	0.036	30%	0.295	C	S	.	.			trans	-130.7	102.7	174	-52.9	178.5	0	0	0	106.3	V178 E182 F183 R200 V258 P260	V178-I180 HydrophobicContact CG1-CD1 4.38Å; V178-I180 HydrophobicContact CG1-CG1 4.13Å; I180-E182 WeakPolarHBondContact CG2-OE2 3.48Å; I180-E182 PolarHBondContact O-N 3.15Å; I180-F183 HydrophobicContact CB-CD2 3.75Å; I180-F183 HydrophobicContact CB-CE2 4.45Å; I180-F183 HydrophobicContact CD1-CD2 4.26Å; I180-F183 HydrophobicContact CD1-CE2 4.3Å; I180-F183 HydrophobicContact CG2-CD2 3.47Å; I180-F183 VanDerWaalsContact CG2-CD2 3.47Å; I180-F183 HydrophobicContact CG2-CE2 3.86Å; I180-F183 PolarHBondContact O-N 3.06Å; I180-R200 VanDerWaalsContact CG1-CZ 3.46Å; I180-R200 VanDerWaalsContact CG1-NH2 3.27Å; I180-V258 VanDerWaalsContact CD1-O 3.31Å; I180-V258 WeakPolarHBondContact CD1-O 3.31Å; I180-P260 HydrophobicContact CB-CG 4.03Å; I180-P260 HydrophobicContact CD1-CG 3.8Å; I180-P260 HydrophobicContact CG1-CG 3.79Å
181	P	93.2	Very high	94.7	Very high	60 Å²	60	48.7 Å²	48.7	39%	0.39	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-51.7	-33.4	-172.1	-27.4	32.4	0	0	0	114.1	Y179 F183	Y179-P181 HydrophobicContact CD1-CG 4.31Å; Y179-P181 HydrophobicContact CE1-CB 4.41Å; Y179-P181 HydrophobicContact CE1-CG 3.68Å; Y179-P181 HydrophobicContact CE2-CB 4.47Å; Y179-P181 HydrophobicContact CE2-CG 4.39Å; P181-F183 PolarHBondContact O-N 3.37Å
182	E	93.1	Very high	94.6	Very high	123 Å²	123	45.1 Å²	45.1	58%	0.575	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-71.7	-13.4	-175.5	-57	76.5	-165.4	0	0	113.9	I180 R233	I180-E182 WeakPolarHBondContact CG2-OE2 3.48Å; I180-E182 PolarHBondContact O-N 3.15Å; E182-R233 WeakPolarHBondContact O-CD 3.47Å; E182-R233 PolarHBondContact O-NE 2.88Å
183	F	94.8	Very high	94.6	Very high	3 Å²	3	47.7 Å²	47.7	1%	0.013	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-93.5	-25.7	-178.7	-79.3	-84.6	0	0	0	113.8	I180 P181 E232 R233 C235 E257 Q348	I180-F183 HydrophobicContact CB-CD2 3.75Å; I180-F183 HydrophobicContact CB-CE2 4.45Å; I180-F183 HydrophobicContact CD1-CD2 4.26Å; I180-F183 HydrophobicContact CD1-CE2 4.3Å; I180-F183 HydrophobicContact CG2-CD2 3.47Å; I180-F183 VanDerWaalsContact CG2-CD2 3.47Å; I180-F183 HydrophobicContact CG2-CE2 3.86Å; I180-F183 PolarHBondContact O-N 3.06Å; P181-F183 PolarHBondContact O-N 3.37Å; F183-E232 HydrophobicContact CB-CB 4.31Å; F183-E232 HydrophobicContact CB-CG 4.35Å; F183-E232 CarbonylContact O-C 3.54Å; F183-E232 WeakPolarHBondContact O-CA 3.33Å; F183-R233 HydrophobicContact CD1-CG 4.04Å; F183-R233 PolarHBondContact O-N 2.93Å; F183-C235 WeakPolarHBondContact CE1-SG 3.44Å; F183-E257 HydrophobicContact CE2-CG 3.99Å; F183-E257 HydrophobicContact CZ-CG 3.71Å; F183-Q348 PolarHBondContact O-NE2 3.04Å
184	I	95.1	Very high	94.6	Very high	17 Å²	17	42 Å²	42	9%	0.087	25%	0.251	C	S	.	.	S	Bend	trans	-119.8	175.1	-179.2	66.6	177.7	0	0	0	111	I142 Y179 Q188 N230 E232 Q348	I142-I184 HydrophobicContact CD1-CD1 4.21Å; Y179-I184 HydrophobicContact CD2-CD1 3.94Å; Y179-I184 HydrophobicContact CD2-CG1 4.47Å; Y179-I184 HydrophobicContact CE2-CD1 3.61Å; Y179-I184 HydrophobicContact CE2-CG1 3.87Å; I184-Q188 HydrophobicContact CD1-CB 3.62Å; I184-Q188 HydrophobicContact CD1-CG 3.88Å; I184-Q188 HydrophobicContact CG1-CB 4.15Å; I184-Q188 HydrophobicContact CG1-CG 4.25Å; I184-N230 HydrophobicContact CB-CB 4.45Å; I184-N230 HydrophobicContact CG2-CB 4Å; I184-E232 HydrophobicContact CG2-CG 3.92Å; I184-Q348 VanDerWaalsContact C-NE2 3.27Å; I184-Q348 PolarHBondContact O-NE2 2.92Å
185	A	91.8	Very high	94.5	Very high	3 Å²	3	45 Å²	45	3%	0.025	27%	0.266	C	S	.	.			trans	-65.9	140.2	-179.4	0	0	0	0	0	111.5	N187 Q188 N342 A345	A185-N187 VanDerWaalsContact CB-OD1 3.28Å; A185-N187 WeakPolarHBondContact CB-OD1 3.13Å; A185-N187 PolarHBondContact O-N 3.44Å; A185-Q188 WeakPolarHBondContact O-CB 3.49Å; A185-Q188 WeakPolarHBondContact O-CG 3.35Å; A185-Q188 PolarHBondContact O-N 3.37Å; A185-N342 HydrophobicContact CB-CB 4.47Å; A185-N342 WeakPolarHBondContact CB-O 3.26Å; A185-N342 WeakPolarHBondContact CB-OD1 3.46Å; A185-N342 PolarHBondContact N-OD1 2.79Å; A185-N342 VanDerWaalsContact N-OD1 3.09Å; A185-A345 HydrophobicContact CB-CB 3.84Å
186	A	88.8	Confident	94.5	Very high	81 Å²	81	43.1 Å²	43.1	67%	0.669	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-58.4	-22.9	179.7	0	0	0	0	0	113.5	Q188 T189	A186-Q188 PolarHBondContact O-N 2.81Å; A186-T189 WeakPolarHBondContact O-CB 3.39Å; A186-T189 PolarHBondContact O-N 3Å; A186-T189 PolarHBondContact O-OG1 3.1Å
187	N	86.9	Confident	94.4	Very high	62 Å²	62	45.8 Å²	45.8	33%	0.332	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-67.4	-8.1	175.1	62.4	29.6	0	0	0	114.1	A185 Q341	A185-N187 VanDerWaalsContact CB-OD1 3.28Å; A185-N187 WeakPolarHBondContact CB-OD1 3.13Å; A185-N187 PolarHBondContact O-N 3.44Å; N187-Q341 PolarHBondContact ND2-O 3.43Å
188	Q	90.9	Very high	94.2	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-84.7	-10.1	175.2	-57.2	-59.6	-60.9	0	0	113.3	I184 A185 A186 A190 R191 N230 N338	I184-Q188 HydrophobicContact CD1-CB 3.62Å; I184-Q188 HydrophobicContact CD1-CG 3.88Å; I184-Q188 HydrophobicContact CG1-CB 4.15Å; I184-Q188 HydrophobicContact CG1-CG 4.25Å; A185-Q188 WeakPolarHBondContact O-CB 3.49Å; A185-Q188 WeakPolarHBondContact O-CG 3.35Å; A185-Q188 PolarHBondContact O-N 3.37Å; A186-Q188 PolarHBondContact O-N 2.81Å; Q188-A190 VanDerWaalsContact C-N 3.32Å; Q188-A190 PolarHBondContact O-N 2.84Å; Q188-R191 WeakPolarHBondContact O-CB 3.36Å; Q188-R191 PolarHBondContact O-N 2.95Å; Q188-N230 PolarHBondContact OE1-ND2 3.1Å; Q188-N230 PolarHBondContact OE1-OD1 3.06Å; Q188-N338 PolarHBondContact NE2-OD1 3.27Å; Q188-N338 PolarHBondContact OE1-ND2 3.27Å; Q188-N338 PolarHBondContact OE1-OD1 2.93Å
189	T	90.3	Very high	94.1	Very high	80 Å²	80	51.1 Å²	51.1	49%	0.491	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-55.8	-42.9	-175	-52.5	0	0	0	0	112.8	Y179 A186 R191 A192	Y179-T189 PolarHBondContact OH-OG1 3.03Å; A186-T189 WeakPolarHBondContact O-CB 3.39Å; A186-T189 PolarHBondContact O-N 3Å; A186-T189 PolarHBondContact O-OG1 3.1Å; T189-R191 PolarHBondContact O-N 3.08Å; T189-A192 PolarHBondContact O-N 3.42Å
190	A	91	Very high	94.1	Very high	107 Å²	107	51.8 Å²	51.8	88%	0.884	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-68.6	-15.7	-179.4	0	0	0	0	0	113.8	Q188	Q188-A190 VanDerWaalsContact C-N 3.32Å; Q188-A190 PolarHBondContact O-N 2.84Å
191	R	93.2	Very high	94.2	Very high	36 Å²	36	53.1 Å²	53.1	14%	0.136	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-87.9	-16.4	177.9	-176	176.5	-178.2	-77.9	-5.5	112.3	D141 S143 R153 Q188 T189 D193	D141-R191 VanDerWaalsContact CG-NH2 3.27Å; D141-R191 IonicContact OD1-CZ 2.81Å; D141-R191 IonicContact OD1-NH1 2.72Å; D141-R191 PolarHBondContact OD1-NH1 2.83Å; D141-R191 IonicContact OD1-NH2 2.73Å; D141-R191 PolarHBondContact OD1-NH2 3.37Å; D141-R191 IonicContact OD2-CZ 3.46Å; D141-R191 IonicContact OD2-NH1 3.28Å; D141-R191 IonicContact OD2-NH2 2.76Å; D141-R191 PolarHBondContact OD2-NH2 2.86Å; S143-R191 WeakPolarHBondContact CA-O 3.4Å; R153-R191 VanDerWaalsContact NH2-NH2 3.2Å; Q188-R191 WeakPolarHBondContact O-CB 3.36Å; Q188-R191 PolarHBondContact O-N 2.95Å; T189-R191 PolarHBondContact O-N 3.08Å; R191-D193 PolarHBondContact O-N 2.77Å
192	A	96.1	Very high	94.5	Very high	20 Å²	20	55.7 Å²	55.7	17%	0.165	34%	0.34	C	S	.	.			trans	-89.5	85.5	-171.1	0	0	0	0	0	111.8	I142 Y179 T189 L195	I142-A192 HydrophobicContact CB-CB 4.35Å; I142-A192 HydrophobicContact CD1-CB 4.27Å; I142-A192 CarbonylContact O-C 3.51Å; I142-A192 WeakPolarHBondContact O-CA 3.49Å; Y179-A192 HydrophobicContact CD1-CB 3.69Å; Y179-A192 HydrophobicContact CE1-CB 3.73Å; Y179-A192 HydrophobicContact CG-CB 4.1Å; T189-A192 PolarHBondContact O-N 3.42Å; A192-L195 HydrophobicContact CB-CD2 4.21Å
193	D	97.6	Very high	94.7	Very high	100 Å²	100	50.3 Å²	50.3	54%	0.535	32%	0.315	S	S	.	.			trans	-120.5	-1.4	179.2	68.2	-14.5	0	0	0	113.9	I142 S143 S144 R191	I142-D193 PolarHBondContact O-N 3.2Å; S143-D193 VanDerWaalsContact CA-OD1 3.25Å; S143-D193 WeakPolarHBondContact CA-OD1 3.33Å; S144-D193 WeakPolarHBondContact CB-OD1 3.4Å; S144-D193 PolarHBondContact N-OD1 3.05Å; S144-D193 PolarHBondContact OG-OD1 3.02Å; S144-D193 PolarHBondContact OG-OD2 3.32Å; R191-D193 PolarHBondContact O-N 2.77Å
194	N	98.3	Very high	94.9	Very high	25 Å²	25	51.1 Å²	51.1	13%	0.134	32%	0.319	C	S	.	.	S	Bend	trans	-128.4	80.2	-174.9	-167.8	30.2	0	0	0	110.8	D141 I142 P174 R175 P176 S177	D141-N194 PolarHBondContact O-ND2 3.38Å; D141-N194 VanDerWaalsContact O-ND2 3.13Å; I142-N194 WeakPolarHBondContact O-CB 3.44Å; I142-N194 PolarHBondContact O-N 2.91Å; P174-N194 PolarHBondContact O-ND2 3.34Å; R175-N194 PolarHBondContact O-ND2 3.32Å; P176-N194 CarbonylContact C-O 3.32Å; P176-N194 VanDerWaalsContact CA-O 3.3Å; P176-N194 WeakPolarHBondContact CA-O 3.41Å; P176-N194 WeakPolarHBondContact CA-OD1 3.45Å; P176-N194 WeakPolarHBondContact CG-OD1 3.43Å; S177-N194 PolarHBondContact N-O 2.91Å
195	L	98.4	Very high	95.1	Very high	72 Å²	72	54.1 Å²	54.1	38%	0.377	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-119.6	144.4	-165.1	-55	-175.3	0	0	0	113.6	I142 S177 Y179 A192 P197	I142-L195 HydrophobicContact CB-CD2 3.97Å; I142-L195 HydrophobicContact CG2-CD2 4.01Å; S177-L195 CarbonylContact O-C 3.59Å; S177-L195 VanDerWaalsContact O-CA 3.3Å; S177-L195 WeakPolarHBondContact O-CA 3.35Å; Y179-L195 HydrophobicContact CD1-CD1 3.95Å; Y179-L195 HydrophobicContact CD1-CD2 4.36Å; Y179-L195 HydrophobicContact CG-CD2 4.2Å; A192-L195 HydrophobicContact CB-CD2 4.21Å; L195-P197 WeakPolarHBondContact O-CD 3.16Å
196	I	98.1	Very high	95.4	Very high	12 Å²	12	57.2 Å²	57.2	6%	0.062	35%	0.347	C	S	.	.			trans	-82	113.7	167	-54.9	174.4	0	0	0	108.9	P176 S177 V178 Q203 Q206 I207	P176-I196 HydrophobicContact CB-CG1 4.05Å; P176-I196 VanDerWaalsContact O-CD1 3.29Å; P176-I196 WeakPolarHBondContact O-CD1 3.37Å; P176-I196 WeakPolarHBondContact O-CG1 3.36Å; S177-I196 PolarHBondContact O-N 2.93Å; V178-I196 HydrophobicContact CG2-CD1 4.17Å; I196-Q203 HydrophobicContact CB-CG 4.29Å; I196-Q203 HydrophobicContact CG2-CB 4.41Å; I196-Q203 HydrophobicContact CG2-CG 3.87Å; I196-Q203 PolarHBondContact O-NE2 3.18Å; I196-Q206 HydrophobicContact CD1-CB 4.32Å; I196-Q206 HydrophobicContact CD1-CG 3.92Å; I196-Q206 HydrophobicContact CG1-CG 4.26Å; I196-Q206 HydrophobicContact CG2-CB 3.86Å; I196-Q206 HydrophobicContact CG2-CG 3.82Å; I196-I207 HydrophobicContact CD1-CG1 4.1Å
197	P	95.9	Very high	95.9	Very high	108 Å²	108	53.3 Å²	53.3	70%	0.701	32%	0.315	S	S	*	.			trans	-75.8	169.5	177.1	33.3	-35.9	0	0	0	111.8	L195	L195-P197 WeakPolarHBondContact O-CD 3.16Å
198	G	95.2	Very high	96.5	Very high	49 Å²	49	53.4 Å²	53.4	51%	0.505	31%	0.311	S	S	.	.	S	Bend	trans	101.2	-172.6	171.3	0	0	0	0	0	114.9
199	T	96.3	Very high	96.9	Very high	74 Å²	74	58 Å²	58	45%	0.454	33%	0.33	S	S	.	.			trans	-73.5	167.3	179.7	69.2	0	0	0	0	111.7	A201 Q202 Q203	T199-A201 PolarHBondContact O-N 3.43Å; T199-Q202 PolarHBondContact O-N 3.18Å; T199-Q202 PolarHBondContact OG1-N 3.42Å; T199-Q203 WeakPolarHBondContact O-CG 3.27Å; T199-Q203 PolarHBondContact O-N 2.8Å
200	R	96.4	Very high	97.3	Very high	48 Å²	48	54.5 Å²	54.5	18%	0.181	31%	0.309	C	S	.	.	H	α-helix	trans	-56.9	-37	176.5	-57.6	-64.6	165.5	-143.8	1.8	112.7	I180 L204 I252 L263	I180-R200 VanDerWaalsContact CG1-CZ 3.46Å; I180-R200 VanDerWaalsContact CG1-NH2 3.27Å; R200-L204 WeakPolarHBondContact O-CB 3.41Å; R200-L204 PolarHBondContact O-N 2.93Å; R200-I252 HydrophobicContact CB-CG2 4.18Å; R200-L263 HydrophobicContact CB-CD2 4.4Å
201	A	97.8	Very high	97.6	Very high	34 Å²	34	49.5 Å²	49.5	28%	0.281	27%	0.267	S	S	.	.	H	α-helix	trans	-65.6	-42.5	175.3	0	0	0	0	0	112.6	T199 L204 E205	T199-A201 PolarHBondContact O-N 3.43Å; A201-L204 PolarHBondContact O-N 3.1Å; A201-E205 PolarHBondContact O-N 3.41Å
202	Q	98.1	Very high	97.9	Very high	114 Å²	114	52.6 Å²	52.6	53%	0.533	28%	0.279	S	S	.	.	H	α-helix	trans	-66.9	-41.3	176.9	-69.8	171.9	-37.5	0	0	111.3	T199 E205 Q206	T199-Q202 PolarHBondContact O-N 3.18Å; T199-Q202 PolarHBondContact OG1-N 3.42Å; Q202-E205 PolarHBondContact O-N 3.1Å; Q202-Q206 WeakPolarHBondContact O-CB 3.5Å; Q202-Q206 PolarHBondContact O-N 3.03Å
203	Q	98.4	Very high	98	Very high	11 Å²	11	54.5 Å²	54.5	5%	0.051	29%	0.286	C	S	.	.	H	α-helix	trans	-62.5	-45	175.2	-73.1	174.2	-23.6	0	0	111.7	V178 I196 T199 E205 Q206 I207	V178-Q203 HydrophobicContact CG2-CB 3.85Å; V178-Q203 HydrophobicContact CG2-CG 4.12Å; I196-Q203 HydrophobicContact CB-CG 4.29Å; I196-Q203 HydrophobicContact CG2-CB 4.41Å; I196-Q203 HydrophobicContact CG2-CG 3.87Å; I196-Q203 PolarHBondContact O-NE2 3.18Å; T199-Q203 WeakPolarHBondContact O-CG 3.27Å; T199-Q203 PolarHBondContact O-N 2.8Å; Q203-E205 PolarHBondContact O-N 3.38Å; Q203-Q206 PolarHBondContact O-N 3.46Å; Q203-I207 VanDerWaalsContact O-CG1 3.32Å; Q203-I207 WeakPolarHBondContact O-CG1 3.29Å; Q203-I207 PolarHBondContact O-N 2.98Å
204	L	98.7	Very high	98.1	Very high	19 Å²	19	50 Å²	50	10%	0.099	26%	0.262	C	S	.	.	H	α-helix	trans	-56	-50.2	174.4	178.9	72.1	0	0	0	110.9	R200 A201 Q206 I207 R208 I252 L263 V266 A267 L270	R200-L204 WeakPolarHBondContact O-CB 3.41Å; R200-L204 PolarHBondContact O-N 2.93Å; A201-L204 PolarHBondContact O-N 3.1Å; L204-Q206 VanDerWaalsContact C-N 3.32Å; L204-Q206 PolarHBondContact O-N 3.41Å; L204-I207 PolarHBondContact O-N 3.22Å; L204-R208 VanDerWaalsContact O-CG 3.32Å; L204-R208 WeakPolarHBondContact O-CG 3.29Å; L204-R208 PolarHBondContact O-N 2.64Å; L204-I252 HydrophobicContact CB-CG2 4.17Å; L204-I252 HydrophobicContact CD2-CG2 3.93Å; L204-L263 HydrophobicContact CB-CD2 4.42Å; L204-L263 WeakPolarHBondContact CD1-O 3.38Å; L204-V266 HydrophobicContact CD1-CB 4.16Å; L204-V266 HydrophobicContact CD1-CG1 3.85Å; L204-V266 HydrophobicContact CD2-CG1 4.3Å; L204-A267 HydrophobicContact CD1-CB 3.77Å; L204-L270 HydrophobicContact CD2-CD1 4.21Å
205	E	98.7	Very high	98.1	Very high	81 Å²	81	52.9 Å²	52.9	38%	0.379	27%	0.271	S	S	.	.	H	α-helix	trans	-66.1	-34.8	-178.3	-172.6	55.3	-150.7	0	0	112.4	A201 Q202 Q203 R208 K209 R212	A201-E205 PolarHBondContact O-N 3.41Å; Q202-E205 PolarHBondContact O-N 3.1Å; Q203-E205 PolarHBondContact O-N 3.38Å; E205-R208 PolarHBondContact O-N 3.34Å; E205-R208 IonicContact OE2-CZ 2.86Å; E205-R208 IonicContact OE2-NE 3.82Å; E205-R208 IonicContact OE2-NH1 3.91Å; E205-R208 PolarHBondContact OE2-NH1 2.58Å; E205-K209 WeakPolarHBondContact O-CB 3.49Å; E205-K209 PolarHBondContact O-N 3.03Å; E205-R212 IonicContact OE1-CZ 2.9Å; E205-R212 IonicContact OE1-NH2 2.77Å; E205-R212 PolarHBondContact OE1-NH2 3.24Å
206	Q	98.9	Very high	98.1	Very high	67 Å²	67	53.6 Å²	53.6	31%	0.313	28%	0.282	S	S	.	.	H	α-helix	trans	-63.8	-44.2	173.8	-176.5	57	52.6	0	0	111.7	I196 Q202 Q203 L204 R208 K209 D210	I196-Q206 HydrophobicContact CD1-CB 4.32Å; I196-Q206 HydrophobicContact CD1-CG 3.92Å; I196-Q206 HydrophobicContact CG1-CG 4.26Å; I196-Q206 HydrophobicContact CG2-CB 3.86Å; I196-Q206 HydrophobicContact CG2-CG 3.82Å; Q202-Q206 WeakPolarHBondContact O-CB 3.5Å; Q202-Q206 PolarHBondContact O-N 3.03Å; Q203-Q206 PolarHBondContact O-N 3.46Å; L204-Q206 VanDerWaalsContact C-N 3.32Å; L204-Q206 PolarHBondContact O-N 3.41Å; Q206-R208 VanDerWaalsContact C-N 3.32Å; Q206-R208 PolarHBondContact O-N 3.04Å; Q206-K209 WeakPolarHBondContact O-CB 3.46Å; Q206-K209 PolarHBondContact O-N 3.33Å; Q206-D210 PolarHBondContact NE2-OD1 2.77Å; Q206-D210 VanDerWaalsContact NE2-OD1 3.1Å; Q206-D210 PolarHBondContact O-N 2.73Å
207	I	98.9	Very high	98.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60.7	-44.1	175.8	-62.5	162	0	0	0	110.4	W140 V178 I196 Q203 L204 K209 D210 I211 L263 F264 A267	W140-I207 HydrophobicContact CH2-CG2 4.3Å; W140-I207 HydrophobicContact CZ2-CG2 3.99Å; V178-I207 HydrophobicContact CG2-CD1 3.9Å; I196-I207 HydrophobicContact CD1-CG1 4.1Å; Q203-I207 VanDerWaalsContact O-CG1 3.32Å; Q203-I207 WeakPolarHBondContact O-CG1 3.29Å; Q203-I207 PolarHBondContact O-N 2.98Å; L204-I207 PolarHBondContact O-N 3.22Å; I207-K209 VanDerWaalsContact C-N 3.31Å; I207-K209 PolarHBondContact O-N 2.98Å; I207-D210 PolarHBondContact O-N 3.35Å; I207-I211 HydrophobicContact CG2-CD1 4.19Å; I207-I211 WeakPolarHBondContact O-CG1 3.34Å; I207-I211 PolarHBondContact O-N 3.19Å; I207-L263 HydrophobicContact CD1-CB 4.38Å; I207-F264 HydrophobicContact CB-CE1 4.44Å; I207-F264 HydrophobicContact CD1-CD1 3.9Å; I207-F264 HydrophobicContact CD1-CD2 4.16Å; I207-F264 HydrophobicContact CD1-CE1 3.81Å; I207-F264 HydrophobicContact CD1-CE2 4.1Å; I207-F264 HydrophobicContact CD1-CG 4.08Å; I207-F264 HydrophobicContact CD1-CZ 3.92Å; I207-F264 HydrophobicContact CG1-CD1 4.17Å; I207-F264 HydrophobicContact CG1-CE1 3.77Å; I207-F264 HydrophobicContact CG1-CZ 4.09Å; I207-F264 HydrophobicContact CG2-CD1 3.58Å; I207-F264 HydrophobicContact CG2-CE1 3.76Å; I207-A267 HydrophobicContact CB-CB 3.85Å; I207-A267 HydrophobicContact CG2-CB 3.42Å; I207-A267 VanDerWaalsContact CG2-CB 3.42Å
208	R	98.9	Very high	98.2	Very high	63 Å²	63	53.3 Å²	53.3	24%	0.238	29%	0.285	C	S	.	.	H	α-helix	trans	-61.7	-39.3	176.5	-68.5	177.5	67.1	-152.4	2	112.2	L204 E205 Q206 R212 A267 E271	L204-R208 VanDerWaalsContact O-CG 3.32Å; L204-R208 WeakPolarHBondContact O-CG 3.29Å; L204-R208 PolarHBondContact O-N 2.64Å; E205-R208 PolarHBondContact O-N 3.34Å; E205-R208 IonicContact OE2-CZ 2.86Å; E205-R208 IonicContact OE2-NE 3.82Å; E205-R208 IonicContact OE2-NH1 3.91Å; E205-R208 PolarHBondContact OE2-NH1 2.58Å; Q206-R208 VanDerWaalsContact C-N 3.32Å; Q206-R208 PolarHBondContact O-N 3.04Å; R208-R212 WeakPolarHBondContact O-CG 3.35Å; R208-R212 PolarHBondContact O-N 3.01Å; R208-R212 PolarHBondContact O-NE 2.87Å; R208-A267 HydrophobicContact CG-CB 3.81Å; R208-E271 HydrophobicContact CB-CG 4Å; R208-E271 HydrophobicContact CG-CG 4.05Å; R208-E271 IonicContact CZ-OE1 3.84Å; R208-E271 IonicContact NE-OE1 2.69Å; R208-E271 PolarHBondContact NE-OE1 2.91Å; R208-E271 IonicContact NH2-OE1 3.19Å; R208-E271 PolarHBondContact NH2-OE1 2.89Å
209	K	98.9	Very high	98.3	Very high	97 Å²	97	53 Å²	53	42%	0.422	28%	0.282	S	S	.	.	H	α-helix	trans	-63.4	-47.1	173.8	-177.7	-176.2	171.8	-172.1	0	110.9	E205 Q206 I207 I211 R212 D213	E205-K209 WeakPolarHBondContact O-CB 3.49Å; E205-K209 PolarHBondContact O-N 3.03Å; Q206-K209 WeakPolarHBondContact O-CB 3.46Å; Q206-K209 PolarHBondContact O-N 3.33Å; I207-K209 VanDerWaalsContact C-N 3.31Å; I207-K209 PolarHBondContact O-N 2.98Å; K209-I211 VanDerWaalsContact C-N 3.29Å; K209-I211 PolarHBondContact O-N 3.47Å; K209-R212 PolarHBondContact O-N 2.94Å; K209-R212 VanDerWaalsContact O-N 3.11Å; K209-D213 WeakPolarHBondContact CE-OD2 3.37Å; K209-D213 WeakPolarHBondContact O-CB 3.47Å; K209-D213 VanDerWaalsContact O-CG 3.27Å; K209-D213 PolarHBondContact O-N 3.14Å
210	D	98.9	Very high	98.4	Very high	8 Å²	8	50 Å²	50	4%	0.043	26%	0.263	C	S	.	.	H	α-helix	trans	-58.2	-40.5	178.6	-73.1	-32.6	0	0	0	112.5	W140 R175 Q206 I207 D213 F214	W140-D210 HydrophobicContact CZ2-CB 3.62Å; W140-D210 PolarHBondContact NE1-OD2 2.92Å; R175-D210 IonicContact NH1-OD1 2.95Å; R175-D210 PolarHBondContact NH1-OD1 2.94Å; Q206-D210 PolarHBondContact NE2-OD1 2.77Å; Q206-D210 VanDerWaalsContact NE2-OD1 3.1Å; Q206-D210 PolarHBondContact O-N 2.73Å; I207-D210 PolarHBondContact O-N 3.35Å; D210-D213 PolarHBondContact O-N 3.49Å; D210-F214 WeakPolarHBondContact O-CB 3.4Å; D210-F214 PolarHBondContact O-N 3.47Å
211	I	98.9	Very high	98.5	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-45.6	175.1	-68.3	167.7	0	0	0	111.3	M62 W140 I207 K209 R215 V225 A267 E271 C273	M62-I211 HydrophobicContact SD-CB 4.34Å; M62-I211 HydrophobicContact SD-CG1 3.87Å; W140-I211 HydrophobicContact CH2-CD1 4.42Å; W140-I211 HydrophobicContact CH2-CG1 3.79Å; W140-I211 HydrophobicContact CZ2-CG1 4.13Å; I207-I211 HydrophobicContact CG2-CD1 4.19Å; I207-I211 WeakPolarHBondContact O-CG1 3.34Å; I207-I211 PolarHBondContact O-N 3.19Å; K209-I211 VanDerWaalsContact C-N 3.29Å; K209-I211 PolarHBondContact O-N 3.47Å; I211-R215 WeakPolarHBondContact O-CB 3.5Å; I211-R215 PolarHBondContact O-N 3.28Å; I211-V225 HydrophobicContact CD1-CG2 4.21Å; I211-A267 HydrophobicContact CD1-CB 4.47Å; I211-E271 HydrophobicContact CB-CG 4.29Å; I211-E271 HydrophobicContact CD1-CB 4.45Å; I211-E271 HydrophobicContact CD1-CG 4.32Å; I211-E271 HydrophobicContact CG2-CB 3.83Å; I211-E271 HydrophobicContact CG2-CG 4.13Å; I211-C273 VanDerWaalsContact CG2-SG 3.52Å
212	R	98.9	Very high	98.5	Very high	101 Å²	101	52.9 Å²	52.9	38%	0.381	28%	0.275	S	S	.	.	H	α-helix	trans	-66.7	-41.3	178.2	-71.3	175.2	-72.2	166.6	-6.9	112.1	E205 R208 K209 R215 S216 E271	E205-R212 IonicContact OE1-CZ 2.9Å; E205-R212 IonicContact OE1-NH2 2.77Å; E205-R212 PolarHBondContact OE1-NH2 3.24Å; R208-R212 WeakPolarHBondContact O-CG 3.35Å; R208-R212 PolarHBondContact O-N 3.01Å; R208-R212 PolarHBondContact O-NE 2.87Å; K209-R212 PolarHBondContact O-N 2.94Å; K209-R212 VanDerWaalsContact O-N 3.11Å; R212-R215 PolarHBondContact O-N 3.11Å; R212-S216 WeakPolarHBondContact O-CB 3.32Å; R212-S216 PolarHBondContact O-N 3.01Å; R212-S216 PolarHBondContact O-OG 3.1Å; R212-E271 VanDerWaalsContact CD-OE2 3.29Å; R212-E271 WeakPolarHBondContact CD-OE2 3.45Å; R212-E271 WeakPolarHBondContact CG-OE2 3.35Å; R212-E271 IonicContact NE-OE2 2.81Å
213	D	98.8	Very high	98.6	Very high	60 Å²	60	47.6 Å²	47.6	32%	0.321	25%	0.251	S	S	.	.	H	α-helix	trans	-64	-43.9	177.9	-72.3	-3	0	0	0	110.2	K209 D210 S216 S217	K209-D213 WeakPolarHBondContact CE-OD2 3.37Å; K209-D213 WeakPolarHBondContact O-CB 3.47Å; K209-D213 VanDerWaalsContact O-CG 3.27Å; K209-D213 PolarHBondContact O-N 3.14Å; D210-D213 PolarHBondContact O-N 3.49Å; D213-S216 PolarHBondContact O-OG 3.34Å; D213-S217 WeakPolarHBondContact O-CB 3.35Å; D213-S217 PolarHBondContact O-N 2.94Å; D213-S217 PolarHBondContact O-OG 2.89Å
214	F	98.8	Very high	98.6	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-63.3	-48.5	174.5	177.2	-127	0	0	0	111.9	M62 V136 D138 D210 S216 S217 A218 L220 V223	M62-F214 HydrophobicContact CE-CB 3.93Å; M62-F214 HydrophobicContact CE-CD1 4.25Å; M62-F214 HydrophobicContact CE-CG 4.23Å; M62-F214 HydrophobicContact CG-CD1 3.32Å; M62-F214 HydrophobicContact CG-CE1 3.54Å; M62-F214 HydrophobicContact CG-CG 4.18Å; M62-F214 HydrophobicContact SD-CB 3.9Å; M62-F214 HydrophobicContact SD-CD1 3.51Å; M62-F214 VanDerWaalsContact SD-CD1 3.51Å; M62-F214 HydrophobicContact SD-CE1 4.35Å; M62-F214 HydrophobicContact SD-CG 4.02Å; V136-F214 HydrophobicContact CB-CZ 4.32Å; V136-F214 HydrophobicContact CG1-CE2 3.85Å; V136-F214 HydrophobicContact CG1-CZ 4.01Å; D138-F214 HydrophobicContact CB-CD1 4.25Å; D138-F214 HydrophobicContact CB-CD2 3.39Å; D138-F214 HydrophobicContact CB-CE1 4.2Å; D138-F214 HydrophobicContact CB-CE2 3.38Å; D138-F214 HydrophobicContact CB-CG 3.85Å; D138-F214 HydrophobicContact CB-CZ 3.78Å; D138-F214 WeakPolarHBondContact OD2-CD2 3.31Å; D210-F214 WeakPolarHBondContact O-CB 3.4Å; D210-F214 PolarHBondContact O-N 3.47Å; F214-S216 VanDerWaalsContact C-N 3.33Å; F214-S216 PolarHBondContact O-N 2.9Å; F214-S217 PolarHBondContact O-OG 2.86Å; F214-A218 HydrophobicContact CD2-CB 4.33Å; F214-A218 HydrophobicContact CE2-CB 4.15Å; F214-A218 WeakPolarHBondContact O-CB 3.4Å; F214-A218 PolarHBondContact O-N 3.33Å; F214-A218 VanDerWaalsContact O-N 3.12Å; F214-L220 HydrophobicContact CD1-CD1 3.67Å; F214-L220 HydrophobicContact CD2-CD1 4.18Å; F214-L220 HydrophobicContact CE1-CD1 3.37Å; F214-L220 HydrophobicContact CE2-CD1 3.88Å; F214-L220 HydrophobicContact CG-CD1 4.1Å; F214-L220 HydrophobicContact CZ-CD1 3.49Å; F214-L220 VanDerWaalsContact CZ-CD1 3.49Å; F214-V223 HydrophobicContact CD1-CG1 4.21Å; F214-V223 HydrophobicContact CD1-CG2 4.15Å; F214-V223 HydrophobicContact CE1-CG1 4.38Å; F214-V223 HydrophobicContact CE1-CG2 4.42Å
215	R	98.6	Very high	98.6	Very high	86 Å²	86	46.2 Å²	46.2	33%	0.325	24%	0.243	S	C	.	.	H	α-helix	trans	-56.1	-47.5	178.9	-171.5	-175.4	-69.8	-167.5	3.2	111.7	I211 R212 G219 L220 V223 E271 C273	I211-R215 WeakPolarHBondContact O-CB 3.5Å; I211-R215 PolarHBondContact O-N 3.28Å; R212-R215 PolarHBondContact O-N 3.11Å; R215-G219 PolarHBondContact O-N 3.07Å; R215-L220 HydrophobicContact CG-CB 4.29Å; R215-L220 WeakPolarHBondContact CG-O 3.24Å; R215-L220 PolarHBondContact O-N 2.98Å; R215-V223 HydrophobicContact CB-CG2 4.04Å; R215-V223 HydrophobicContact CG-CG2 4.24Å; R215-E271 PolarHBondContact NH2-O 3.5Å; R215-E271 VanDerWaalsContact NH2-O 3.07Å; R215-C273 PolarHBondContact NH2-SG 2.86Å
216	S	98.3	Very high	98.6	Very high	87 Å²	87	42.3 Å²	42.3	61%	0.608	23%	0.225	S	C	*	.	H	α-helix	trans	-73.2	-48.8	-177.2	57.2	0	0	0	0	113	R212 D213 F214 A218 G219	R212-S216 WeakPolarHBondContact O-CB 3.32Å; R212-S216 PolarHBondContact O-N 3.01Å; R212-S216 PolarHBondContact O-OG 3.1Å; D213-S216 PolarHBondContact O-OG 3.34Å; F214-S216 VanDerWaalsContact C-N 3.33Å; F214-S216 PolarHBondContact O-N 2.9Å; S216-A218 VanDerWaalsContact C-N 3.33Å; S216-A218 PolarHBondContact O-N 3.3Å; S216-G219 PolarHBondContact O-N 2.86Å
217	S	97.8	Very high	98.6	Very high	95 Å²	95	39.5 Å²	39.5	66%	0.664	21%	0.212	S	C	*	.	H	α-helix	trans	-65.9	-33.3	-176.2	60.5	0	0	0	0	113.5	D213 F214	D213-S217 WeakPolarHBondContact O-CB 3.35Å; D213-S217 PolarHBondContact O-N 2.94Å; D213-S217 PolarHBondContact O-OG 2.89Å; F214-S217 PolarHBondContact O-OG 2.86Å
218	A	97.3	Very high	98.6	Very high	18 Å²	18	40.1 Å²	40.1	15%	0.149	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	0.6	176.7	0	0	0	0	0	113.5	R58 V136 F214 S216 L220	R58-A218 PolarHBondContact NE-O 3.02Å; R58-A218 PolarHBondContact NH1-O 2.95Å; R58-A218 PolarHBondContact NH2-O 3.28Å; R58-A218 VanDerWaalsContact NH2-O 3.12Å; V136-A218 HydrophobicContact CG1-CB 4.21Å; F214-A218 HydrophobicContact CD2-CB 4.33Å; F214-A218 HydrophobicContact CE2-CB 4.15Å; F214-A218 WeakPolarHBondContact O-CB 3.4Å; F214-A218 PolarHBondContact O-N 3.33Å; F214-A218 VanDerWaalsContact O-N 3.12Å; S216-A218 VanDerWaalsContact C-N 3.33Å; S216-A218 PolarHBondContact O-N 3.3Å; A218-L220 HydrophobicContact CB-CD1 3.86Å; A218-L220 HydrophobicContact CB-CD2 3.97Å; A218-L220 HydrophobicContact CB-CG 3.68Å
219	G	97.9	Very high	98.6	Very high	43 Å²	43	38.1 Å²	38.1	44%	0.443	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	47.5	178.5	0	0	0	0	0	113.1	R58 R215 S216	R58-G219 WeakPolarHBondContact CD-O 3.45Å; R215-G219 PolarHBondContact O-N 3.07Å; S216-G219 PolarHBondContact O-N 2.86Å
220	L	98.6	Very high	98.5	Very high	11 Å²	11	34.3 Å²	34.3	6%	0.058	20%	0.197	C	C	.	.			trans	-93.8	138.8	-171.9	-56.1	170.3	0	0	0	111.5	R58 V136 F214 R215 A218 V223	R58-L220 HydrophobicContact CG-CD2 3.96Å; V136-L220 HydrophobicContact CB-CD2 4.11Å; V136-L220 HydrophobicContact CG2-CD2 4.02Å; F214-L220 HydrophobicContact CD1-CD1 3.67Å; F214-L220 HydrophobicContact CD2-CD1 4.18Å; F214-L220 HydrophobicContact CE1-CD1 3.37Å; F214-L220 HydrophobicContact CE2-CD1 3.88Å; F214-L220 HydrophobicContact CG-CD1 4.1Å; F214-L220 HydrophobicContact CZ-CD1 3.49Å; F214-L220 VanDerWaalsContact CZ-CD1 3.49Å; R215-L220 HydrophobicContact CG-CB 4.29Å; R215-L220 WeakPolarHBondContact CG-O 3.24Å; R215-L220 PolarHBondContact O-N 2.98Å; A218-L220 HydrophobicContact CB-CD1 3.86Å; A218-L220 HydrophobicContact CB-CD2 3.97Å; A218-L220 HydrophobicContact CB-CG 3.68Å; L220-V223 HydrophobicContact CB-CG2 4.48Å; L220-V223 HydrophobicContact CD1-CG2 4.05Å
221	D	98.3	Very high	98.4	Very high	99 Å²	99	34 Å²	34	53%	0.529	20%	0.195	S	C	.	.	S	Bend	trans	-80.8	-36.2	174.8	-55.8	-53.1	0	0	0	111.1	P57 R58	P57-D221 HydrophobicContact CB-CB 3.76Å; R58-D221 PolarHBondContact N-OD2 2.88Å; R58-D221 PolarHBondContact O-N 3.44Å
222	K	98.5	Very high	98.4	Very high	44 Å²	44	34 Å²	34	19%	0.191	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.3	-178.6	-62.5	-170.3	-172.4	171.5	0	111.4	P57 R58 L59 G60 E435	P57-K222 HydrophobicContact CB-CD 4.23Å; P57-K222 HydrophobicContact CB-CG 4.1Å; P57-K222 HydrophobicContact CG-CD 3.84Å; P57-K222 HydrophobicContact CG-CG 4.23Å; R58-K222 PolarHBondContact O-N 2.8Å; L59-K222 HydrophobicContact CD1-CB 3.84Å; G60-K222 PolarHBondContact N-O 3.23Å; K222-E435 HydrophobicContact CD-CG 4.24Å; K222-E435 PolarHBondContact NZ-O 3.25Å; K222-E435 IonicContact NZ-OE1 3.19Å; K222-E435 PolarHBondContact NZ-OE1 3.09Å
223	V	98.9	Very high	98.2	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132.6	172.5	178.8	0	0	0	0	109.1	G60 M62 F214 R215 L220 V225 C273	G60-V223 WeakPolarHBondContact O-CA 3.39Å; M62-V223 HydrophobicContact CG-CG1 3.88Å; M62-V223 HydrophobicContact SD-CG1 4.14Å; F214-V223 HydrophobicContact CD1-CG1 4.21Å; F214-V223 HydrophobicContact CD1-CG2 4.15Å; F214-V223 HydrophobicContact CE1-CG1 4.38Å; F214-V223 HydrophobicContact CE1-CG2 4.42Å; R215-V223 HydrophobicContact CB-CG2 4.04Å; R215-V223 HydrophobicContact CG-CG2 4.24Å; L220-V223 HydrophobicContact CB-CG2 4.48Å; L220-V223 HydrophobicContact CD1-CG2 4.05Å; V223-V225 HydrophobicContact CG1-CG2 4.49Å; V223-C273 WeakPolarHBondContact O-CB 3.5Å
224	I	98.9	Very high	97.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.1	170.6	-65.4	173.2	0	0	0	108.1	L59 G60 V61 M62 A274 L276 V431 T434 E435	L59-I224 HydrophobicContact CD1-CD1 4.03Å; L59-I224 HydrophobicContact CD1-CG1 4.11Å; L59-I224 HydrophobicContact CD2-CD1 4.33Å; G60-I224 PolarHBondContact O-N 2.77Å; V61-I224 WeakPolarHBondContact CA-O 3.49Å; M62-I224 PolarHBondContact N-O 3.2Å; I224-A274 HydrophobicContact CG1-CB 4.37Å; I224-L276 HydrophobicContact CG2-CD1 3.91Å; I224-L276 HydrophobicContact CG2-CG 4.26Å; I224-V431 HydrophobicContact CD1-CG1 4.15Å; I224-V431 VanDerWaalsContact CD1-O 3.29Å; I224-V431 WeakPolarHBondContact CD1-O 3.35Å; I224-V431 HydrophobicContact CG2-CG2 4.32Å; I224-T434 HydrophobicContact CD1-CG2 3.89Å; I224-T434 HydrophobicContact CG1-CG2 4.41Å; I224-E435 HydrophobicContact CD1-CB 4.16Å
225	V	98.9	Very high	97.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	129.6	175.4	-177.3	0	0	0	0	108.7	M62 V64 W140 I211 V223 S268 C273 A274 F275 L276	M62-V225 HydrophobicContact CB-CG2 4.34Å; M62-V225 WeakPolarHBondContact O-CA 3.44Å; V64-V225 HydrophobicContact CG2-CG1 4.2Å; W140-V225 HydrophobicContact CZ3-CG1 4.25Å; I211-V225 HydrophobicContact CD1-CG2 4.21Å; V223-V225 HydrophobicContact CG1-CG2 4.49Å; V225-S268 WeakPolarHBondContact CB-OG 3.09Å; V225-S268 WeakPolarHBondContact CG1-OG 3.34Å; V225-S268 VanDerWaalsContact CG2-OG 3.31Å; V225-S268 WeakPolarHBondContact CG2-OG 3.38Å; V225-C273 HydrophobicContact CG2-CB 4.28Å; V225-A274 PolarHBondContact N-O 3.02Å; V225-F275 HydrophobicContact CB-CD2 4.13Å; V225-F275 HydrophobicContact CG1-CD2 3.85Å; V225-F275 HydrophobicContact CG1-CE2 4.14Å; V225-F275 CarbonylContact O-C 3.49Å; V225-F275 WeakPolarHBondContact O-CA 3.27Å; V225-L276 PolarHBondContact O-N 3.27Å
226	L	98.9	Very high	97.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.4	-178.4	-177.5	161.9	0	0	0	110.3	M62 L63 V64 T228 L276 F304 M427 L430 V431	M62-L226 PolarHBondContact O-N 2.77Å; L63-L226 WeakPolarHBondContact CA-O 3.37Å; L63-L226 HydrophobicContact CD2-CB 4.02Å; L63-L226 HydrophobicContact CD2-CD2 4.01Å; L63-L226 HydrophobicContact CD2-CG 4.48Å; V64-L226 PolarHBondContact N-O 3.02Å; L226-T228 HydrophobicContact CD2-CG2 4.32Å; L226-L276 CarbonylContact C-O 3.57Å; L226-L276 WeakPolarHBondContact CA-O 3.37Å; L226-L276 HydrophobicContact CB-CB 4.33Å; L226-L276 HydrophobicContact CD1-CB 4.45Å; L226-L276 HydrophobicContact CD1-CD1 4.4Å; L226-L276 HydrophobicContact CG-CB 4.14Å; L226-F304 HydrophobicContact CD2-CE1 4.4Å; L226-F304 HydrophobicContact CD2-CZ 3.8Å; L226-M427 HydrophobicContact CD1-CB 4.09Å; L226-M427 HydrophobicContact CD1-CG 4.29Å; L226-M427 HydrophobicContact CD2-CE 3.85Å; L226-M427 HydrophobicContact CD2-CG 4.32Å; L226-L430 HydrophobicContact CD1-CB 4.38Å; L226-L430 HydrophobicContact CD1-CD1 4.36Å; L226-V431 HydrophobicContact CD1-CG2 4.2Å
227	W	98.9	Very high	97.2	Very high	8 Å²	8	33.7 Å²	33.7	3%	0.03	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	115.1	175.6	-177.9	-77.8	0	0	0	110.6	V64 A229 E232 P260 F264 F275 L276 G278 S279 Q281	V64-W227 HydrophobicContact CB-CD2 4.31Å; V64-W227 HydrophobicContact CB-CE3 3.78Å; V64-W227 HydrophobicContact CB-CZ3 4.27Å; V64-W227 HydrophobicContact CG1-CD2 4.31Å; V64-W227 HydrophobicContact CG1-CE3 3.58Å; V64-W227 HydrophobicContact CG1-CH2 4.26Å; V64-W227 HydrophobicContact CG1-CZ3 3.54Å; V64-W227 HydrophobicContact CG2-CE3 4.14Å; W227-A229 HydrophobicContact CD2-CB 4.33Å; W227-A229 HydrophobicContact CH2-CB 4.29Å; W227-A229 HydrophobicContact CZ2-CB 3.74Å; W227-A229 PolarHBondContact NE1-O 2.66Å; W227-E232 HydrophobicContact CH2-CG 4.49Å; W227-E232 WeakPolarHBondContact CH2-OE1 3.49Å; W227-E232 HydrophobicContact CZ2-CG 3.95Å; W227-E232 WeakPolarHBondContact CZ2-OE1 3.35Å; W227-P260 HydrophobicContact CH2-CB 4.1Å; W227-P260 HydrophobicContact CZ3-CB 4.46Å; W227-F264 HydrophobicContact CE3-CD2 4.37Å; W227-F264 AromaticContact CZ3-CD2 3.78Å; W227-F264 HydrophobicContact CZ3-CD2 3.78Å; W227-F264 HydrophobicContact CZ3-CE2 4.34Å; W227-F275 HydrophobicContact CB-CE2 4.43Å; W227-F275 HydrophobicContact CB-CZ 3.96Å; W227-L276 PolarHBondContact N-O 3.43Å; W227-G278 WeakPolarHBondContact O-CA 3.32Å; W227-G278 PolarHBondContact O-N 3.37Å; W227-S279 VanDerWaalsContact CD1-OG 3.3Å; W227-S279 PolarHBondContact NE1-OG 3Å; W227-Q281 VanDerWaalsContact NE1-NE2 3.14Å
228	T	98.7	Very high	97.1	Very high	12 Å²	12	31.8 Å²	31.8	7%	0.074	18%	0.182	C	C	.	.			trans	-131	22.3	171.5	-174.1	0	0	0	0	111.8	L63 V64 N70 L226 M427	L63-T228 HydrophobicContact CB-CG2 4.36Å; V64-T228 CarbonylContact O-C 3.55Å; V64-T228 VanDerWaalsContact O-C 3.28Å; V64-T228 WeakPolarHBondContact O-CA 3.19Å; V64-T228 WeakPolarHBondContact O-CG2 3.25Å; V64-T228 PolarHBondContact O-N 3.26Å; N70-T228 VanDerWaalsContact CB-OG1 3.26Å; N70-T228 WeakPolarHBondContact CB-OG1 3.36Å; N70-T228 PolarHBondContact ND2-OG1 3.02Å; L226-T228 HydrophobicContact CD2-CG2 4.32Å; T228-M427 HydrophobicContact CG2-CE 3.76Å
229	A	98.2	Very high	97	Very high	22 Å²	22	36 Å²	36	18%	0.182	21%	0.208	C	C	.	.	S	Bend	trans	-80.7	-178.2	176.5	0	0	0	0	0	111.1	V64 W227 S279	V64-A229 HydrophobicContact CG1-CB 4.22Å; V64-A229 PolarHBondContact O-N 3.01Å; W227-A229 HydrophobicContact CD2-CB 4.33Å; W227-A229 HydrophobicContact CH2-CB 4.29Å; W227-A229 HydrophobicContact CZ2-CB 3.74Å; W227-A229 PolarHBondContact NE1-O 2.66Å; A229-S279 PolarHBondContact O-OG 3.04Å; A229-S279 VanDerWaalsContact O-OG 3.14Å
230	N	97.4	Very high	96.9	Very high	16 Å²	16	36.4 Å²	36.4	9%	0.086	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-47.6	142.3	178.1	-69.6	94.3	0	0	0	112.3	I184 Q188 E232 N338 N342	I184-N230 HydrophobicContact CB-CB 4.45Å; I184-N230 HydrophobicContact CG2-CB 4Å; Q188-N230 PolarHBondContact OE1-ND2 3.1Å; Q188-N230 PolarHBondContact OE1-OD1 3.06Å; N230-E232 PolarHBondContact O-N 3.14Å; N230-N338 PolarHBondContact ND2-ND2 3.13Å; N230-N338 VanDerWaalsContact ND2-ND2 3.12Å; N230-N342 WeakPolarHBondContact ND2-CB 3.21Å
231	T	97.2	Very high	96.8	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-61.6	122.7	170.8	-66.1	0	0	0	0	109	P280 N342 L343 Q348	T231-P280 HydrophobicContact CG2-CG 3.41Å; T231-P280 VanDerWaalsContact CG2-CG 3.41Å; T231-P280 WeakPolarHBondContact OG1-CD 3.25Å; T231-N342 PolarHBondContact N-ND2 3.23Å; T231-N342 PolarHBondContact O-ND2 3.04Å; T231-L343 HydrophobicContact CG2-CD2 4.01Å; T231-Q348 HydrophobicContact CG2-CB 4.44Å; T231-Q348 VanDerWaalsContact O-CG 3.26Å; T231-Q348 WeakPolarHBondContact O-CG 3.49Å
232	E	97.7	Very high	96.7	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-86.4	161.8	173.1	-55.1	179.8	151.9	0	0	110.5	F183 I184 W227 N230 S259 P260 S261 Q281 S351	F183-E232 HydrophobicContact CB-CB 4.31Å; F183-E232 HydrophobicContact CB-CG 4.35Å; F183-E232 CarbonylContact O-C 3.54Å; F183-E232 WeakPolarHBondContact O-CA 3.33Å; I184-E232 HydrophobicContact CG2-CG 3.92Å; W227-E232 HydrophobicContact CH2-CG 4.49Å; W227-E232 WeakPolarHBondContact CH2-OE1 3.49Å; W227-E232 HydrophobicContact CZ2-CG 3.95Å; W227-E232 WeakPolarHBondContact CZ2-OE1 3.35Å; N230-E232 PolarHBondContact O-N 3.14Å; E232-S259 WeakPolarHBondContact OE2-CB 3.5Å; E232-P260 WeakPolarHBondContact OE1-CB 3.26Å; E232-P260 WeakPolarHBondContact OE1-CD 3.16Å; E232-P260 VanDerWaalsContact OE1-CG 3.24Å; E232-P260 WeakPolarHBondContact OE1-CG 3.34Å; E232-S261 PolarHBondContact OE1-N 3.47Å; E232-S261 WeakPolarHBondContact OE2-CB 3.46Å; E232-S261 PolarHBondContact OE2-OG 3.3Å; E232-Q281 HydrophobicContact CB-CB 3.9Å; E232-Q281 HydrophobicContact CB-CG 3.82Å; E232-Q281 HydrophobicContact CG-CG 4.31Å; E232-S351 PolarHBondContact O-OG 2.58Å
233	R	95.3	Very high	96.7	Very high	42 Å²	42	34.9 Å²	34.9	16%	0.158	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-66.6	161.6	162.9	67.9	172.4	177	83.9	-5	110.2	E182 F183 E257 L347	E182-R233 WeakPolarHBondContact O-CD 3.47Å; E182-R233 PolarHBondContact O-NE 2.88Å; F183-R233 HydrophobicContact CD1-CG 4.04Å; F183-R233 PolarHBondContact O-N 2.93Å; R233-E257 IonicContact CZ-OE1 2.78Å; R233-E257 IonicContact NH1-OE1 3.76Å; R233-E257 IonicContact NH2-OE1 3.75Å; R233-E257 PolarHBondContact NH2-OE1 2.72Å; R233-L347 HydrophobicContact CB-CB 3.91Å
234	F	93.3	Very high	96.6	Very high	79 Å²	79	36.7 Å²	36.7	35%	0.346	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-64.3	145.5	169.8	-87.5	-120.1	0	0	0	111.7	P280 N282 S351	F234-P280 WeakPolarHBondContact CE2-O 3.46Å; F234-P280 WeakPolarHBondContact CZ-O 3.32Å; F234-N282 VanDerWaalsContact CA-OD1 3.24Å; F234-N282 WeakPolarHBondContact CA-OD1 3.25Å; F234-N282 HydrophobicContact CD1-CB 3.71Å; F234-N282 WeakPolarHBondContact CD1-OD1 3.34Å; F234-N282 HydrophobicContact CE1-CB 3.63Å; F234-N282 HydrophobicContact CG-CB 4.46Å; F234-N282 HydrophobicContact CZ-CB 4.3Å; F234-S351 VanDerWaalsContact CD2-OG 3.3Å; F234-S351 WeakPolarHBondContact CD2-OG 3.3Å; F234-S351 VanDerWaalsContact CE2-CA 3.44Å
235	C	92.4	Very high	96.6	Very high	15 Å²	15	36.8 Å²	36.8	10%	0.101	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-88.8	144.3	164.7	-62	0	0	0	0	110	F183 S259 N282	F183-C235 WeakPolarHBondContact CE1-SG 3.44Å; C235-S259 VanDerWaalsContact SG-CB 3.6Å; C235-N282 PolarHBondContact N-OD1 2.94Å; C235-N282 PolarHBondContact O-ND2 2.91Å
236	D	92.6	Very high	96.6	Very high	120 Å²	120	43.9 Å²	43.9	64%	0.642	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-71.5	139.2	167.7	-63.4	-39.6	0	0	0	110.2	V238 N242	D236-V238 HydrophobicContact CB-CG2 3.89Å; D236-N242 PolarHBondContact O-ND2 3.28Å
237	V	94.6	Very high	96.6	Very high	78 Å²	78	45.4 Å²	45.4	47%	0.473	26%	0.255	S	S	.	.			trans	-89.7	111.3	169.5	-179.8	0	0	0	0	107.7	N242 P286	V237-N242 WeakPolarHBondContact CA-OD1 3.47Å; V237-P286 HydrophobicContact CG1-CG 3.89Å
238	V	96.3	Very high	96.6	Very high	54 Å²	54	45.1 Å²	45.1	33%	0.327	25%	0.254	S	S	.	.			trans	-121.1	122	-171.5	-177.2	0	0	0	0	109.5	D236 G240 R241 N242	D236-V238 HydrophobicContact CB-CG2 3.89Å; V238-G240 PolarHBondContact O-N 3.43Å; V238-R241 HydrophobicContact CB-CB 4.08Å; V238-R241 HydrophobicContact CG1-CB 4.34Å; V238-R241 WeakPolarHBondContact O-CB 3.22Å; V238-R241 PolarHBondContact O-N 3.46Å; V238-R241 VanDerWaalsContact O-N 3.1Å; V238-N242 PolarHBondContact N-OD1 2.93Å; V238-N242 PolarHBondContact O-N 3.44Å; V238-N242 PolarHBondContact O-OD1 3.48Å
239	P	96.4	Very high	96.6	Very high	108 Å²	108	47 Å²	47	70%	0.701	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	136.4	173.5	-26.8	35.4	0	0	0	112.3	R241 D243	P239-R241 VanDerWaalsContact C-N 3.29Å; P239-R241 PolarHBondContact O-N 3.36Å; P239-D243 VanDerWaalsContact CA-OD2 3.31Å; P239-D243 WeakPolarHBondContact CA-OD2 3.3Å
240	G	95.6	Very high	96.6	Very high	50 Å²	50	53.7 Å²	53.7	52%	0.515	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-0.4	-176	0	0	0	0	0	115.2	V238 D243 N247	V238-G240 PolarHBondContact O-N 3.43Å; G240-D243 PolarHBondContact N-OD1 3.44Å; G240-D243 PolarHBondContact N-OD2 2.89Å; G240-N247 VanDerWaalsContact CA-ND2 3.33Å; G240-N247 WeakPolarHBondContact CA-ND2 3.35Å
241	R	95.3	Very high	96.6	Very high	59 Å²	59	53.1 Å²	53.1	22%	0.223	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124	-57.5	-176.7	-171.9	-177.9	177.6	176.7	-1.6	113.1	V238 P239 D243 N247 L248 T251 E257	V238-R241 HydrophobicContact CB-CB 4.08Å; V238-R241 HydrophobicContact CG1-CB 4.34Å; V238-R241 WeakPolarHBondContact O-CB 3.22Å; V238-R241 PolarHBondContact O-N 3.46Å; V238-R241 VanDerWaalsContact O-N 3.1Å; P239-R241 VanDerWaalsContact C-N 3.29Å; P239-R241 PolarHBondContact O-N 3.36Å; R241-D243 PolarHBondContact N-OD1 3.05Å; R241-N247 CarbonylContact O-C 3.49Å; R241-N247 VanDerWaalsContact O-O 3.06Å; R241-L248 VanDerWaalsContact O-CA 3.25Å; R241-L248 WeakPolarHBondContact O-CA 3.23Å; R241-L248 PolarHBondContact O-N 3.33Å; R241-L248 VanDerWaalsContact O-N 3.17Å; R241-T251 HydrophobicContact CG-CG2 3.69Å; R241-T251 PolarHBondContact O-OG1 2.94Å; R241-E257 IonicContact CZ-OE2 2.88Å; R241-E257 PolarHBondContact NE-O 3.08Å; R241-E257 IonicContact NH1-OE2 3.12Å; R241-E257 VanDerWaalsContact NH2-C 3.32Å; R241-E257 VanDerWaalsContact NH2-CA 3.3Å; R241-E257 PolarHBondContact NH2-O 2.96Å; R241-E257 IonicContact NH2-OE2 3.66Å; R241-E257 PolarHBondContact NH2-OE2 3.3Å
242	N	97	Very high	96.6	Very high	15 Å²	15	53.1 Å²	53.1	8%	0.08	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.3	16.5	-175.3	61.1	6.5	0	0	0	113.1	D236 V237 V238 L248 V285 G287	D236-N242 PolarHBondContact O-ND2 3.28Å; V237-N242 WeakPolarHBondContact CA-OD1 3.47Å; V238-N242 PolarHBondContact N-OD1 2.93Å; V238-N242 PolarHBondContact O-N 3.44Å; V238-N242 PolarHBondContact O-OD1 3.48Å; N242-L248 HydrophobicContact CB-CD1 4.13Å; N242-V285 HydrophobicContact CB-CB 4.43Å; N242-V285 HydrophobicContact CB-CG2 4.03Å; N242-G287 PolarHBondContact O-N 3.23Å
243	D	97.2	Very high	96.6	Very high	48 Å²	48	60.7 Å²	60.7	26%	0.257	32%	0.316	S	S	.	.	S	Bend	trans	-80.6	-30	176.7	59.8	-29.6	0	0	0	113.1	P239 G240 R241 N247 P286	P239-D243 VanDerWaalsContact CA-OD2 3.31Å; P239-D243 WeakPolarHBondContact CA-OD2 3.3Å; G240-D243 PolarHBondContact N-OD1 3.44Å; G240-D243 PolarHBondContact N-OD2 2.89Å; R241-D243 PolarHBondContact N-OD1 3.05Å; D243-N247 WeakPolarHBondContact OD1-CB 3.43Å; D243-N247 PolarHBondContact OD1-ND2 3.37Å; D243-P286 WeakPolarHBondContact O-CB 3.39Å
244	T	98.5	Very high	96.7	Very high	42 Å²	42	63.8 Å²	63.8	26%	0.258	34%	0.335	S	S	.	.	S	Bend	trans	-128.8	160	176.5	73.1	0	0	0	0	112.3	E246 N247 L248 G287 E290	T244-E246 VanDerWaalsContact C-N 3.32Å; T244-E246 PolarHBondContact O-N 3.44Å; T244-N247 PolarHBondContact O-N 2.9Å; T244-N247 WeakPolarHBondContact OG1-CB 3.37Å; T244-N247 PolarHBondContact OG1-N 2.86Å; T244-N247 PolarHBondContact OG1-ND2 3.06Å; T244-N247 VanDerWaalsContact OG1-ND2 3.12Å; T244-L248 WeakPolarHBondContact O-CB 3.34Å; T244-L248 PolarHBondContact O-N 2.97Å; T244-G287 WeakPolarHBondContact O-CA 3.39Å; T244-E290 WeakPolarHBondContact CA-OE2 3.35Å; T244-E290 VanDerWaalsContact CB-OE2 3.23Å; T244-E290 WeakPolarHBondContact CB-OE2 3.41Å
245	A	98.6	Very high	96.6	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-58.4	-44.4	178.1	0	0	0	0	0	111.7	L248 L249 G287 E290 L291	A245-L248 PolarHBondContact O-N 3.39Å; A245-L249 VanDerWaalsContact O-CG 3.3Å; A245-L249 WeakPolarHBondContact O-CG 3.09Å; A245-L249 PolarHBondContact O-N 3.35Å; A245-G287 WeakPolarHBondContact CA-O 3.45Å; A245-E290 HydrophobicContact CB-CB 4.16Å; A245-E290 HydrophobicContact CB-CG 4.16Å; A245-E290 PolarHBondContact N-OE2 3.25Å; A245-L291 HydrophobicContact CB-CB 3.9Å; A245-L291 HydrophobicContact CB-CD1 4.34Å
246	E	98.6	Very high	96.5	Very high	149 Å²	149	65.6 Å²	65.6	70%	0.696	35%	0.353	S	S	*	.	H	α-helix	trans	-62.9	-47.9	178.1	-175.1	-178.4	176.3	0	0	111.6	T244 L248 L249 R250	T244-E246 VanDerWaalsContact C-N 3.32Å; T244-E246 PolarHBondContact O-N 3.44Å; E246-L248 VanDerWaalsContact C-N 3.33Å; E246-L248 PolarHBondContact O-N 2.98Å; E246-L249 PolarHBondContact O-N 3.33Å; E246-R250 WeakPolarHBondContact O-CB 3.35Å; E246-R250 PolarHBondContact O-N 2.91Å
247	N	98.4	Very high	96.3	Very high	33 Å²	33	64 Å²	64	18%	0.176	34%	0.342	C	S	.	.	H	α-helix	trans	-63.1	-41.3	179.8	-71.4	-22	0	0	0	111.4	G240 R241 D243 T244 R250 T251	G240-N247 VanDerWaalsContact CA-ND2 3.33Å; G240-N247 WeakPolarHBondContact CA-ND2 3.35Å; R241-N247 CarbonylContact O-C 3.49Å; R241-N247 VanDerWaalsContact O-O 3.06Å; D243-N247 WeakPolarHBondContact OD1-CB 3.43Å; D243-N247 PolarHBondContact OD1-ND2 3.37Å; T244-N247 PolarHBondContact O-N 2.9Å; T244-N247 WeakPolarHBondContact OG1-CB 3.37Å; T244-N247 PolarHBondContact OG1-N 2.86Å; T244-N247 PolarHBondContact OG1-ND2 3.06Å; T244-N247 VanDerWaalsContact OG1-ND2 3.12Å; N247-R250 PolarHBondContact O-N 3.35Å; N247-T251 WeakPolarHBondContact O-CB 3.3Å; N247-T251 PolarHBondContact O-N 3.04Å; N247-T251 PolarHBondContact O-OG1 3.36Å
248	L	98.6	Very high	96.3	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-62.9	-47.8	177.8	179.8	58.9	0	0	0	111.5	R241 N242 T244 A245 E246 R250 T251 I252 V258 T262 V266 V285 A288	R241-L248 VanDerWaalsContact O-CA 3.25Å; R241-L248 WeakPolarHBondContact O-CA 3.23Å; R241-L248 PolarHBondContact O-N 3.33Å; R241-L248 VanDerWaalsContact O-N 3.17Å; N242-L248 HydrophobicContact CB-CD1 4.13Å; T244-L248 WeakPolarHBondContact O-CB 3.34Å; T244-L248 PolarHBondContact O-N 2.97Å; A245-L248 PolarHBondContact O-N 3.39Å; E246-L248 VanDerWaalsContact C-N 3.33Å; E246-L248 PolarHBondContact O-N 2.98Å; L248-R250 VanDerWaalsContact C-N 3.34Å; L248-R250 PolarHBondContact O-N 3.01Å; L248-T251 WeakPolarHBondContact O-CB 3.43Å; L248-T251 PolarHBondContact O-N 3.36Å; L248-I252 HydrophobicContact CD1-CD1 4.44Å; L248-I252 HydrophobicContact CG-CD1 4.34Å; L248-I252 WeakPolarHBondContact O-CG1 3.11Å; L248-I252 PolarHBondContact O-N 3.44Å; L248-V258 HydrophobicContact CD1-CG1 4.34Å; L248-V258 HydrophobicContact CD1-CG2 4.35Å; L248-T262 HydrophobicContact CD1-CG2 3.95Å; L248-T262 HydrophobicContact CD2-CG2 4.02Å; L248-V266 HydrophobicContact CD2-CG2 3.67Å; L248-V266 HydrophobicContact CG-CG2 4.23Å; L248-V285 HydrophobicContact CD2-CG2 4.17Å; L248-A288 HydrophobicContact CD2-CB 3.92Å
249	L	98.6	Very high	96.4	Very high	52 Å²	52	58.2 Å²	58.2	27%	0.272	31%	0.307	S	S	.	.	H	α-helix	trans	-62.6	-41.4	177.7	-69.9	174.2	0	0	0	111.7	A245 E246 I252 Q253 V266 L270 L291	A245-L249 VanDerWaalsContact O-CG 3.3Å; A245-L249 WeakPolarHBondContact O-CG 3.09Å; A245-L249 PolarHBondContact O-N 3.35Å; E246-L249 PolarHBondContact O-N 3.33Å; L249-I252 PolarHBondContact O-N 3.46Å; L249-Q253 WeakPolarHBondContact O-CG 3.43Å; L249-Q253 PolarHBondContact O-N 3.38Å; L249-V266 HydrophobicContact CD2-CG1 3.74Å; L249-L270 HydrophobicContact CD2-CD1 4.23Å; L249-L291 HydrophobicContact CD1-CD1 4.19Å; L249-L291 HydrophobicContact CD2-CD2 4.3Å
250	R	98.3	Very high	96.5	Very high	162 Å²	162	53.3 Å²	53.3	61%	0.611	28%	0.275	S	S	*	.	H	α-helix	trans	-62.4	-43.9	174.9	-176.5	-179.9	178.8	-179.2	-0	111.8	E246 N247 L248 I252 Q253 L254	E246-R250 WeakPolarHBondContact O-CB 3.35Å; E246-R250 PolarHBondContact O-N 2.91Å; N247-R250 PolarHBondContact O-N 3.35Å; L248-R250 VanDerWaalsContact C-N 3.34Å; L248-R250 PolarHBondContact O-N 3.01Å; R250-I252 VanDerWaalsContact C-N 3.3Å; R250-I252 PolarHBondContact O-N 3.03Å; R250-Q253 PolarHBondContact O-N 2.79Å; R250-Q253 VanDerWaalsContact O-N 3.15Å; R250-L254 HydrophobicContact CG-CD1 4.03Å; R250-L254 HydrophobicContact CG-CG 4.4Å; R250-L254 WeakPolarHBondContact O-CG 3.42Å; R250-L254 PolarHBondContact O-N 2.87Å
251	T	98	Very high	96.6	Very high	3 Å²	3	51 Å²	51	2%	0.018	25%	0.25	C	S	.	.	H	α-helix	trans	-58.1	-43.6	177	-63	0	0	0	0	111	R241 N247 L248 L254 G255 Q256 V258	R241-T251 HydrophobicContact CG-CG2 3.69Å; R241-T251 PolarHBondContact O-OG1 2.94Å; N247-T251 WeakPolarHBondContact O-CB 3.3Å; N247-T251 PolarHBondContact O-N 3.04Å; N247-T251 PolarHBondContact O-OG1 3.36Å; L248-T251 WeakPolarHBondContact O-CB 3.43Å; L248-T251 PolarHBondContact O-N 3.36Å; T251-L254 PolarHBondContact O-N 3.19Å; T251-G255 PolarHBondContact O-N 3.01Å; T251-Q256 HydrophobicContact CG2-CB 3.64Å; T251-Q256 PolarHBondContact O-N 3.46Å; T251-Q256 VanDerWaalsContact O-N 3.11Å; T251-V258 HydrophobicContact CG2-CG2 3.67Å
252	I	98	Very high	96.8	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-45.1	175.5	-64.1	165.6	0	0	0	111	R200 L204 L248 L249 R250 L254 G255 V258 L263 V266	R200-I252 HydrophobicContact CB-CG2 4.18Å; L204-I252 HydrophobicContact CB-CG2 4.17Å; L204-I252 HydrophobicContact CD2-CG2 3.93Å; L248-I252 HydrophobicContact CD1-CD1 4.44Å; L248-I252 HydrophobicContact CG-CD1 4.34Å; L248-I252 WeakPolarHBondContact O-CG1 3.11Å; L248-I252 PolarHBondContact O-N 3.44Å; L249-I252 PolarHBondContact O-N 3.46Å; R250-I252 VanDerWaalsContact C-N 3.3Å; R250-I252 PolarHBondContact O-N 3.03Å; I252-L254 VanDerWaalsContact C-N 3.32Å; I252-L254 PolarHBondContact O-N 3.12Å; I252-G255 PolarHBondContact O-N 3.41Å; I252-G255 VanDerWaalsContact O-N 3.08Å; I252-V258 HydrophobicContact CG1-CB 4.38Å; I252-V258 HydrophobicContact CG1-CG1 4.25Å; I252-V258 HydrophobicContact CG1-CG2 3.83Å; I252-L263 HydrophobicContact CB-CD2 4.47Å; I252-L263 HydrophobicContact CD1-CD2 3.93Å; I252-L263 HydrophobicContact CG1-CD2 3.83Å; I252-L263 HydrophobicContact CG2-CD2 3.82Å; I252-V266 HydrophobicContact CD1-CB 4.2Å; I252-V266 HydrophobicContact CD1-CG1 3.91Å; I252-V266 HydrophobicContact CD1-CG2 4.06Å
253	Q	97.4	Very high	96.8	Very high	161 Å²	161	47.6 Å²	47.6	75%	0.752	24%	0.237	S	C	*	.	H	α-helix	trans	-61.9	-38.8	178.5	-74.4	-145.8	1.7	0	0	113.1	L249 R250 G255	L249-Q253 WeakPolarHBondContact O-CG 3.43Å; L249-Q253 PolarHBondContact O-N 3.38Å; R250-Q253 PolarHBondContact O-N 2.79Å; R250-Q253 VanDerWaalsContact O-N 3.15Å; Q253-G255 PolarHBondContact O-N 2.97Å
254	L	96.1	Very high	96.9	Very high	107 Å²	107	45.3 Å²	45.3	56%	0.56	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-3.9	177	-66	175.9	0	0	0	113.4	R250 T251 I252 Q256	R250-L254 HydrophobicContact CG-CD1 4.03Å; R250-L254 HydrophobicContact CG-CG 4.4Å; R250-L254 WeakPolarHBondContact O-CG 3.42Å; R250-L254 PolarHBondContact O-N 2.87Å; T251-L254 PolarHBondContact O-N 3.19Å; I252-L254 VanDerWaalsContact C-N 3.32Å; I252-L254 PolarHBondContact O-N 3.12Å; L254-Q256 HydrophobicContact CB-CG 4.07Å; L254-Q256 PolarHBondContact O-N 3.15Å
255	G	91.1	Very high	96.9	Very high	36 Å²	36	43.3 Å²	43.3	37%	0.371	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	19.3	-179	0	0	0	0	0	114	T251 I252 Q253	T251-G255 PolarHBondContact O-N 3.01Å; I252-G255 PolarHBondContact O-N 3.41Å; I252-G255 VanDerWaalsContact O-N 3.08Å; Q253-G255 PolarHBondContact O-N 2.97Å
256	Q	91.6	Very high	96.9	Very high	96 Å²	96	43.3 Å²	43.3	45%	0.449	21%	0.212	S	C	.	.			trans	-74.9	168.2	177.7	-68.9	-179.7	-24.3	0	0	110.9	T251 L254 V258	T251-Q256 HydrophobicContact CG2-CB 3.64Å; T251-Q256 PolarHBondContact O-N 3.46Å; T251-Q256 VanDerWaalsContact O-N 3.11Å; L254-Q256 HydrophobicContact CB-CG 4.07Å; L254-Q256 PolarHBondContact O-N 3.15Å; Q256-V258 PolarHBondContact O-N 2.98Å
257	E	87.9	Confident	97	Very high	86 Å²	86	36.2 Å²	36.2	40%	0.402	18%	0.179	S	C	.	.			trans	-66.4	125.5	-173.6	153	-150.3	-172.1	0	0	110.9	F183 R233 R241	F183-E257 HydrophobicContact CE2-CG 3.99Å; F183-E257 HydrophobicContact CZ-CG 3.71Å; R233-E257 IonicContact CZ-OE1 2.78Å; R233-E257 IonicContact NH1-OE1 3.76Å; R233-E257 IonicContact NH2-OE1 3.75Å; R233-E257 PolarHBondContact NH2-OE1 2.72Å; R241-E257 IonicContact CZ-OE2 2.88Å; R241-E257 PolarHBondContact NE-O 3.08Å; R241-E257 IonicContact NH1-OE2 3.12Å; R241-E257 VanDerWaalsContact NH2-C 3.32Å; R241-E257 VanDerWaalsContact NH2-CA 3.3Å; R241-E257 PolarHBondContact NH2-O 2.96Å; R241-E257 IonicContact NH2-OE2 3.66Å; R241-E257 PolarHBondContact NH2-OE2 3.3Å
258	V	95.4	Very high	97	Very high	11 Å²	11	34.6 Å²	34.6	7%	0.067	17%	0.171	C	C	.	.			trans	-142.6	136.3	172.5	177	0	0	0	0	104.5	I180 L248 T251 I252 Q256 T262 L263	I180-V258 VanDerWaalsContact CD1-O 3.31Å; I180-V258 WeakPolarHBondContact CD1-O 3.31Å; L248-V258 HydrophobicContact CD1-CG1 4.34Å; L248-V258 HydrophobicContact CD1-CG2 4.35Å; T251-V258 HydrophobicContact CG2-CG2 3.67Å; I252-V258 HydrophobicContact CG1-CB 4.38Å; I252-V258 HydrophobicContact CG1-CG1 4.25Å; I252-V258 HydrophobicContact CG1-CG2 3.83Å; Q256-V258 PolarHBondContact O-N 2.98Å; V258-T262 HydrophobicContact CG1-CG2 3.67Å; V258-L263 HydrophobicContact CB-CD2 4.47Å; V258-L263 HydrophobicContact CG1-CD2 4.12Å; V258-L263 HydrophobicContact CG1-CG 4.06Å
259	S	97.3	Very high	97	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.			trans	-64.1	154.7	179.8	65.3	0	0	0	0	111	E232 C235 S261 T262 L263	E232-S259 WeakPolarHBondContact OE2-CB 3.5Å; C235-S259 VanDerWaalsContact SG-CB 3.6Å; S259-S261 VanDerWaalsContact C-N 3.26Å; S259-S261 PolarHBondContact O-N 3.25Å; S259-S261 PolarHBondContact OG-OG 3.48Å; S259-T262 PolarHBondContact O-N 3Å; S259-T262 WeakPolarHBondContact OG-CB 3.48Å; S259-T262 PolarHBondContact OG-N 3.49Å; S259-T262 PolarHBondContact OG-OG1 3.36Å; S259-L263 PolarHBondContact O-N 2.97Å; S259-L263 VanDerWaalsContact O-N 3.09Å
260	P	98.3	Very high	97	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.032	17%	0.165	C	C	.	.	H	α-helix	trans	-54	-46.1	170.2	-18.7	29.4	0	0	0	111.3	V178 I180 W227 E232 T262 L263 F264	V178-P260 HydrophobicContact CB-CB 4.24Å; V178-P260 HydrophobicContact CG1-CB 4.06Å; V178-P260 HydrophobicContact CG1-CG 4.36Å; I180-P260 HydrophobicContact CB-CG 4.03Å; I180-P260 HydrophobicContact CD1-CG 3.8Å; I180-P260 HydrophobicContact CG1-CG 3.79Å; W227-P260 HydrophobicContact CH2-CB 4.1Å; W227-P260 HydrophobicContact CZ3-CB 4.46Å; E232-P260 WeakPolarHBondContact OE1-CB 3.26Å; E232-P260 WeakPolarHBondContact OE1-CD 3.16Å; E232-P260 VanDerWaalsContact OE1-CG 3.24Å; E232-P260 WeakPolarHBondContact OE1-CG 3.34Å; P260-T262 PolarHBondContact O-N 2.97Å; P260-L263 WeakPolarHBondContact O-CB 3.36Å; P260-L263 PolarHBondContact O-N 2.96Å; P260-L263 VanDerWaalsContact O-N 3.09Å; P260-F264 VanDerWaalsContact O-CD2 3.25Å; P260-F264 WeakPolarHBondContact O-CD2 3.37Å; P260-F264 PolarHBondContact O-N 3.2Å
261	S	98.6	Very high	97	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-56.8	-43.4	178.4	61	0	0	0	0	113.6	E232 S259 L263 F264 A265 T283	E232-S261 PolarHBondContact OE1-N 3.47Å; E232-S261 WeakPolarHBondContact OE2-CB 3.46Å; E232-S261 PolarHBondContact OE2-OG 3.3Å; S259-S261 VanDerWaalsContact C-N 3.26Å; S259-S261 PolarHBondContact O-N 3.25Å; S259-S261 PolarHBondContact OG-OG 3.48Å; S261-L263 VanDerWaalsContact C-N 3.34Å; S261-L263 PolarHBondContact O-N 3.47Å; S261-F264 PolarHBondContact O-N 3.08Å; S261-A265 PolarHBondContact O-N 3.1Å; S261-T283 WeakPolarHBondContact CB-OG1 3.25Å; S261-T283 VanDerWaalsContact O-CG2 3.31Å; S261-T283 WeakPolarHBondContact O-CG2 3.28Å; S261-T283 PolarHBondContact OG-OG1 3.35Å
262	T	98.6	Very high	97.1	Very high	4 Å²	4	29.3 Å²	29.3	3%	0.025	16%	0.164	C	C	.	.	H	α-helix	trans	-67.8	-34.6	177.2	-61.2	0	0	0	0	111.4	L248 V258 S259 P260 A265 V266 T283 V285	L248-T262 HydrophobicContact CD1-CG2 3.95Å; L248-T262 HydrophobicContact CD2-CG2 4.02Å; V258-T262 HydrophobicContact CG1-CG2 3.67Å; S259-T262 PolarHBondContact O-N 3Å; S259-T262 WeakPolarHBondContact OG-CB 3.48Å; S259-T262 PolarHBondContact OG-N 3.49Å; S259-T262 PolarHBondContact OG-OG1 3.36Å; P260-T262 PolarHBondContact O-N 2.97Å; T262-A265 PolarHBondContact O-N 3.09Å; T262-V266 HydrophobicContact CG2-CG2 4.3Å; T262-V266 WeakPolarHBondContact O-CB 3.23Å; T262-V266 VanDerWaalsContact O-CG2 3.29Å; T262-V266 WeakPolarHBondContact O-CG2 3.32Å; T262-V266 PolarHBondContact O-N 2.96Å; T262-T283 PolarHBondContact OG1-O 2.83Å; T262-V285 HydrophobicContact CG2-CG2 4.23Å
263	L	98.5	Very high	97.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.8	-44.1	172.6	-71.8	174.6	0	0	0	112.1	V178 R200 L204 I207 I252 V258 S259 P260 S261 V266 A267	V178-L263 HydrophobicContact CG1-CD1 4.17Å; R200-L263 HydrophobicContact CB-CD2 4.4Å; L204-L263 HydrophobicContact CB-CD2 4.42Å; L204-L263 WeakPolarHBondContact CD1-O 3.38Å; I207-L263 HydrophobicContact CD1-CB 4.38Å; I252-L263 HydrophobicContact CB-CD2 4.47Å; I252-L263 HydrophobicContact CD1-CD2 3.93Å; I252-L263 HydrophobicContact CG1-CD2 3.83Å; I252-L263 HydrophobicContact CG2-CD2 3.82Å; V258-L263 HydrophobicContact CB-CD2 4.47Å; V258-L263 HydrophobicContact CG1-CD2 4.12Å; V258-L263 HydrophobicContact CG1-CG 4.06Å; S259-L263 PolarHBondContact O-N 2.97Å; S259-L263 VanDerWaalsContact O-N 3.09Å; P260-L263 WeakPolarHBondContact O-CB 3.36Å; P260-L263 PolarHBondContact O-N 2.96Å; P260-L263 VanDerWaalsContact O-N 3.09Å; S261-L263 VanDerWaalsContact C-N 3.34Å; S261-L263 PolarHBondContact O-N 3.47Å; L263-V266 PolarHBondContact O-N 2.98Å; L263-A267 WeakPolarHBondContact O-CB 3.45Å; L263-A267 PolarHBondContact O-N 2.83Å
264	F	98.9	Very high	97.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.8	-40.7	175.7	-80.8	-80.5	0	0	0	112	V64 W140 V178 I207 W227 P260 S261 A267 S268 F275	V64-F264 HydrophobicContact CG1-CD2 4.01Å; V64-F264 HydrophobicContact CG1-CE1 4.34Å; V64-F264 HydrophobicContact CG1-CE2 3.77Å; V64-F264 HydrophobicContact CG1-CG 4.39Å; V64-F264 HydrophobicContact CG1-CZ 3.96Å; V64-F264 HydrophobicContact CG2-CB 4.24Å; V64-F264 HydrophobicContact CG2-CD1 3.53Å; V64-F264 HydrophobicContact CG2-CD2 4.2Å; V64-F264 HydrophobicContact CG2-CE1 3.85Å; V64-F264 HydrophobicContact CG2-CE2 4.46Å; V64-F264 HydrophobicContact CG2-CG 3.73Å; V64-F264 HydrophobicContact CG2-CZ 4.31Å; W140-F264 HydrophobicContact CB-CE1 4.39Å; W140-F264 HydrophobicContact CB-CZ 4.21Å; W140-F264 AromaticContact CD2-CE1 3.56Å; W140-F264 HydrophobicContact CD2-CE1 3.56Å; W140-F264 HydrophobicContact CD2-CZ 4.25Å; W140-F264 AromaticContact CE2-CE1 3.94Å; W140-F264 HydrophobicContact CE3-CD1 4.23Å; W140-F264 AromaticContact CE3-CE1 3.65Å; W140-F264 HydrophobicContact CE3-CE1 3.65Å; W140-F264 AromaticContact CG-CE1 3.9Å; W140-F264 HydrophobicContact CG-CE1 3.9Å; W140-F264 HydrophobicContact CG-CZ 4.11Å; W140-F264 HydrophobicContact CH2-CE1 4.4Å; W140-F264 HydrophobicContact CZ2-CE1 4.35Å; W140-F264 HydrophobicContact CZ3-CD1 4.25Å; W140-F264 HydrophobicContact CZ3-CE1 4.07Å; V178-F264 HydrophobicContact CB-CE2 4.29Å; V178-F264 HydrophobicContact CG2-CE2 4.39Å; I207-F264 HydrophobicContact CB-CE1 4.44Å; I207-F264 HydrophobicContact CD1-CD1 3.9Å; I207-F264 HydrophobicContact CD1-CD2 4.16Å; I207-F264 HydrophobicContact CD1-CE1 3.81Å; I207-F264 HydrophobicContact CD1-CE2 4.1Å; I207-F264 HydrophobicContact CD1-CG 4.08Å; I207-F264 HydrophobicContact CD1-CZ 3.92Å; I207-F264 HydrophobicContact CG1-CD1 4.17Å; I207-F264 HydrophobicContact CG1-CE1 3.77Å; I207-F264 HydrophobicContact CG1-CZ 4.09Å; I207-F264 HydrophobicContact CG2-CD1 3.58Å; I207-F264 HydrophobicContact CG2-CE1 3.76Å; W227-F264 HydrophobicContact CE3-CD2 4.37Å; W227-F264 AromaticContact CZ3-CD2 3.78Å; W227-F264 HydrophobicContact CZ3-CD2 3.78Å; W227-F264 HydrophobicContact CZ3-CE2 4.34Å; P260-F264 VanDerWaalsContact O-CD2 3.25Å; P260-F264 WeakPolarHBondContact O-CD2 3.37Å; P260-F264 PolarHBondContact O-N 3.2Å; S261-F264 PolarHBondContact O-N 3.08Å; F264-A267 PolarHBondContact O-N 3.49Å; F264-S268 WeakPolarHBondContact O-CB 3.45Å; F264-S268 PolarHBondContact O-N 3.11Å; F264-S268 PolarHBondContact O-OG 3.46Å; F264-F275 HydrophobicContact CB-CE2 3.93Å
265	A	98.9	Very high	97.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.2	-49.6	175.1	0	0	0	0	0	111.4	S261 T262 A267 S268 I269 F275 T283 L284	S261-A265 PolarHBondContact O-N 3.1Å; T262-A265 PolarHBondContact O-N 3.09Å; A265-A267 PolarHBondContact O-N 3.04Å; A265-S268 PolarHBondContact O-N 3.46Å; A265-I269 WeakPolarHBondContact O-CD1 3.35Å; A265-I269 WeakPolarHBondContact O-CG1 3.33Å; A265-I269 PolarHBondContact O-N 3.38Å; A265-F275 HydrophobicContact CB-CD1 3.69Å; A265-F275 HydrophobicContact CB-CD2 4.22Å; A265-F275 HydrophobicContact CB-CE1 3.75Å; A265-F275 HydrophobicContact CB-CE2 4.27Å; A265-F275 HydrophobicContact CB-CG 3.93Å; A265-F275 HydrophobicContact CB-CZ 4.04Å; A265-T283 HydrophobicContact CB-CG2 3.95Å; A265-L284 HydrophobicContact CB-CD2 4.3Å
266	V	98.9	Very high	97.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.7	-44.9	177.9	171.8	0	0	0	0	111.4	L204 L248 L249 I252 T262 L263 S268 I269 L270 L291	L204-V266 HydrophobicContact CD1-CB 4.16Å; L204-V266 HydrophobicContact CD1-CG1 3.85Å; L204-V266 HydrophobicContact CD2-CG1 4.3Å; L248-V266 HydrophobicContact CD2-CG2 3.67Å; L248-V266 HydrophobicContact CG-CG2 4.23Å; L249-V266 HydrophobicContact CD2-CG1 3.74Å; I252-V266 HydrophobicContact CD1-CB 4.2Å; I252-V266 HydrophobicContact CD1-CG1 3.91Å; I252-V266 HydrophobicContact CD1-CG2 4.06Å; T262-V266 HydrophobicContact CG2-CG2 4.3Å; T262-V266 WeakPolarHBondContact O-CB 3.23Å; T262-V266 VanDerWaalsContact O-CG2 3.29Å; T262-V266 WeakPolarHBondContact O-CG2 3.32Å; T262-V266 PolarHBondContact O-N 2.96Å; L263-V266 PolarHBondContact O-N 2.98Å; V266-S268 VanDerWaalsContact C-N 3.34Å; V266-S268 PolarHBondContact O-N 3.02Å; V266-I269 PolarHBondContact O-N 3.15Å; V266-L270 HydrophobicContact CG1-CD1 3.81Å; V266-L270 HydrophobicContact CG1-CG 4.29Å; V266-L270 WeakPolarHBondContact O-CB 3.38Å; V266-L270 VanDerWaalsContact O-CG 3.25Å; V266-L270 WeakPolarHBondContact O-CG 3.47Å; V266-L270 PolarHBondContact O-N 3.45Å; V266-L291 HydrophobicContact CB-CD2 4.42Å; V266-L291 HydrophobicContact CG1-CD2 3.94Å; V266-L291 HydrophobicContact CG2-CD2 4.23Å
267	A	98.9	Very high	98	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-58.8	-46	176.4	0	0	0	0	0	111.8	L204 I207 R208 I211 L263 F264 A265 L270 E271	L204-A267 HydrophobicContact CD1-CB 3.77Å; I207-A267 HydrophobicContact CB-CB 3.85Å; I207-A267 HydrophobicContact CG2-CB 3.42Å; I207-A267 VanDerWaalsContact CG2-CB 3.42Å; R208-A267 HydrophobicContact CG-CB 3.81Å; I211-A267 HydrophobicContact CD1-CB 4.47Å; L263-A267 WeakPolarHBondContact O-CB 3.45Å; L263-A267 PolarHBondContact O-N 2.83Å; F264-A267 PolarHBondContact O-N 3.49Å; A265-A267 PolarHBondContact O-N 3.04Å; A267-L270 PolarHBondContact O-N 3.48Å; A267-E271 WeakPolarHBondContact O-CG 3.23Å; A267-E271 PolarHBondContact O-N 3.29Å; A267-E271 VanDerWaalsContact O-N 3.08Å
268	S	98.9	Very high	98.5	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-61	-47.8	179.7	-54	0	0	0	0	111.1	V225 F264 A265 V266 L270 E271 G272 C273	V225-S268 WeakPolarHBondContact CB-OG 3.09Å; V225-S268 WeakPolarHBondContact CG1-OG 3.34Å; V225-S268 VanDerWaalsContact CG2-OG 3.31Å; V225-S268 WeakPolarHBondContact CG2-OG 3.38Å; F264-S268 WeakPolarHBondContact O-CB 3.45Å; F264-S268 PolarHBondContact O-N 3.11Å; F264-S268 PolarHBondContact O-OG 3.46Å; A265-S268 PolarHBondContact O-N 3.46Å; V266-S268 VanDerWaalsContact C-N 3.34Å; V266-S268 PolarHBondContact O-N 3.02Å; S268-L270 PolarHBondContact O-N 2.85Å; S268-E271 CarbonylContact O-C 3.48Å; S268-E271 PolarHBondContact O-N 3.41Å; S268-E271 VanDerWaalsContact O-N 3.16Å; S268-G272 PolarHBondContact O-N 2.76Å; S268-C273 CarbonylContact C-O 3.08Å; S268-C273 VanDerWaalsContact C-O 3.32Å; S268-C273 WeakPolarHBondContact CB-O 3.48Å; S268-C273 PolarHBondContact O-N 2.86Å
269	I	98.9	Very high	98.6	Very high	1 Å²	1	6 Å²	6	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-61.9	-43	178.7	-65.6	159.8	0	0	0	111.3	A265 V266 E271 G272 L291 A292 R295 V297 V299	A265-I269 WeakPolarHBondContact O-CD1 3.35Å; A265-I269 WeakPolarHBondContact O-CG1 3.33Å; A265-I269 PolarHBondContact O-N 3.38Å; V266-I269 PolarHBondContact O-N 3.15Å; I269-E271 PolarHBondContact O-N 2.91Å; I269-G272 PolarHBondContact O-N 3.18Å; I269-G272 VanDerWaalsContact O-N 3.11Å; I269-L291 HydrophobicContact CB-CD2 4.42Å; I269-L291 HydrophobicContact CG2-CD2 4.12Å; I269-L291 HydrophobicContact CG2-CG 3.75Å; I269-A292 HydrophobicContact CD1-CB 3.87Å; I269-A292 HydrophobicContact CG1-CB 4.23Å; I269-R295 HydrophobicContact CG2-CB 3.84Å; I269-R295 HydrophobicContact CG2-CG 3.86Å; I269-V297 HydrophobicContact CG1-CG1 4.29Å; I269-V297 HydrophobicContact CG2-CB 4.31Å; I269-V297 HydrophobicContact CG2-CG2 4.4Å; I269-V299 HydrophobicContact CD1-CG1 4.14Å; I269-V299 HydrophobicContact CG1-CG1 4.25Å
270	L	98.9	Very high	98.6	Very high	31 Å²	31	6 Å²	6	16%	0.162	4%	0.043	C	C	.	.	H	α-helix	trans	-65.5	-26.9	177.9	-70.1	174.2	0	0	0	113.1	L204 L249 V266 A267 S268 L291	L204-L270 HydrophobicContact CD2-CD1 4.21Å; L249-L270 HydrophobicContact CD2-CD1 4.23Å; V266-L270 HydrophobicContact CG1-CD1 3.81Å; V266-L270 HydrophobicContact CG1-CG 4.29Å; V266-L270 WeakPolarHBondContact O-CB 3.38Å; V266-L270 VanDerWaalsContact O-CG 3.25Å; V266-L270 WeakPolarHBondContact O-CG 3.47Å; V266-L270 PolarHBondContact O-N 3.45Å; A267-L270 PolarHBondContact O-N 3.48Å; S268-L270 PolarHBondContact O-N 2.85Å; L270-L291 HydrophobicContact CD2-CD1 4.46Å; L270-L291 HydrophobicContact CD2-CD2 4.48Å
271	E	98.8	Very high	98.5	Very high	31 Å²	31	5.8 Å²	5.8	15%	0.145	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	9.6	174.9	-62.8	-53	129.7	0	0	113.6	R208 I211 R212 R215 A267 S268 I269 C273	R208-E271 HydrophobicContact CB-CG 4Å; R208-E271 HydrophobicContact CG-CG 4.05Å; R208-E271 IonicContact CZ-OE1 3.84Å; R208-E271 IonicContact NE-OE1 2.69Å; R208-E271 PolarHBondContact NE-OE1 2.91Å; R208-E271 IonicContact NH2-OE1 3.19Å; R208-E271 PolarHBondContact NH2-OE1 2.89Å; I211-E271 HydrophobicContact CB-CG 4.29Å; I211-E271 HydrophobicContact CD1-CB 4.45Å; I211-E271 HydrophobicContact CD1-CG 4.32Å; I211-E271 HydrophobicContact CG2-CB 3.83Å; I211-E271 HydrophobicContact CG2-CG 4.13Å; R212-E271 VanDerWaalsContact CD-OE2 3.29Å; R212-E271 WeakPolarHBondContact CD-OE2 3.45Å; R212-E271 WeakPolarHBondContact CG-OE2 3.35Å; R212-E271 IonicContact NE-OE2 2.81Å; R215-E271 PolarHBondContact NH2-O 3.5Å; R215-E271 VanDerWaalsContact NH2-O 3.07Å; A267-E271 WeakPolarHBondContact O-CG 3.23Å; A267-E271 PolarHBondContact O-N 3.29Å; A267-E271 VanDerWaalsContact O-N 3.08Å; S268-E271 CarbonylContact O-C 3.48Å; S268-E271 PolarHBondContact O-N 3.41Å; S268-E271 VanDerWaalsContact O-N 3.16Å; I269-E271 PolarHBondContact O-N 2.91Å; E271-C273 PolarHBondContact O-N 3.21Å; E271-C273 PolarHBondContact O-SG 3.41Å; E271-C273 VanDerWaalsContact O-SG 3.37Å
272	G	98.6	Very high	98.4	Very high	45 Å²	45	7 Å²	7	46%	0.464	5%	0.048	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	21.6	180	0	0	0	0	0	113.9	S268 I269	S268-G272 PolarHBondContact O-N 2.76Å; I269-G272 PolarHBondContact O-N 3.18Å; I269-G272 VanDerWaalsContact O-N 3.11Å
273	C	98.8	Very high	98.4	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	5%	0.047	C	C	.	.			trans	-100.8	132.5	-178.4	-59.1	0	0	0	0	109.9	I211 R215 V223 V225 S268 E271 V297	I211-C273 VanDerWaalsContact CG2-SG 3.52Å; R215-C273 PolarHBondContact NH2-SG 2.86Å; V223-C273 WeakPolarHBondContact O-CB 3.5Å; V225-C273 HydrophobicContact CG2-CB 4.28Å; S268-C273 CarbonylContact C-O 3.08Å; S268-C273 VanDerWaalsContact C-O 3.32Å; S268-C273 WeakPolarHBondContact CB-O 3.48Å; S268-C273 PolarHBondContact O-N 2.86Å; E271-C273 PolarHBondContact O-N 3.21Å; E271-C273 PolarHBondContact O-SG 3.41Å; E271-C273 VanDerWaalsContact O-SG 3.37Å; C273-V297 WeakPolarHBondContact O-CG1 3.45Å
274	A	98.9	Very high	98.3	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	143.5	176.5	0	0	0	0	0	110.8	I224 V225 F298 T434	I224-A274 HydrophobicContact CG1-CB 4.37Å; V225-A274 PolarHBondContact N-O 3.02Å; A274-F298 CarbonylContact C-O 3.38Å; A274-F298 WeakPolarHBondContact CA-O 3.29Å; A274-F298 HydrophobicContact CB-CB 4.04Å; A274-F298 WeakPolarHBondContact CB-O 3.38Å; A274-T434 HydrophobicContact CB-CG2 3.64Å
275	F	98.9	Very high	98.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.2	179.4	-179	-92.4	0	0	0	111.9	V225 W227 F264 A265 N277 T283 L284 F298 V299 G300	V225-F275 HydrophobicContact CB-CD2 4.13Å; V225-F275 HydrophobicContact CG1-CD2 3.85Å; V225-F275 HydrophobicContact CG1-CE2 4.14Å; V225-F275 CarbonylContact O-C 3.49Å; V225-F275 WeakPolarHBondContact O-CA 3.27Å; W227-F275 HydrophobicContact CB-CE2 4.43Å; W227-F275 HydrophobicContact CB-CZ 3.96Å; F264-F275 HydrophobicContact CB-CE2 3.93Å; A265-F275 HydrophobicContact CB-CD1 3.69Å; A265-F275 HydrophobicContact CB-CD2 4.22Å; A265-F275 HydrophobicContact CB-CE1 3.75Å; A265-F275 HydrophobicContact CB-CE2 4.27Å; A265-F275 HydrophobicContact CB-CG 3.93Å; A265-F275 HydrophobicContact CB-CZ 4.04Å; F275-N277 HydrophobicContact CE1-CB 4.08Å; F275-T283 HydrophobicContact CE1-CG2 3.62Å; F275-T283 HydrophobicContact CZ-CG2 3.92Å; F275-L284 HydrophobicContact CD1-CD2 4.24Å; F275-F298 PolarHBondContact N-O 3.36Å; F275-V299 HydrophobicContact CB-CG1 4.42Å; F275-V299 VanDerWaalsContact O-CA 3.24Å; F275-V299 WeakPolarHBondContact O-CA 3.36Å; F275-G300 PolarHBondContact O-N 3.28Å
276	L	98.9	Very high	98.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121.1	-178.2	-55.1	179.2	0	0	0	110.4	I224 V225 L226 W227 G300 L430 T434 L460	I224-L276 HydrophobicContact CG2-CD1 3.91Å; I224-L276 HydrophobicContact CG2-CG 4.26Å; V225-L276 PolarHBondContact O-N 3.27Å; L226-L276 CarbonylContact C-O 3.57Å; L226-L276 WeakPolarHBondContact CA-O 3.37Å; L226-L276 HydrophobicContact CB-CB 4.33Å; L226-L276 HydrophobicContact CD1-CB 4.45Å; L226-L276 HydrophobicContact CD1-CD1 4.4Å; L226-L276 HydrophobicContact CG-CB 4.14Å; W227-L276 PolarHBondContact N-O 3.43Å; L276-G300 CarbonylContact C-O 3.48Å; L276-G300 WeakPolarHBondContact CA-O 3.29Å; L276-L430 HydrophobicContact CD1-CB 3.92Å; L276-T434 WeakPolarHBondContact CD1-OG1 3.48Å; L276-L460 HydrophobicContact CD2-CD1 3.7Å
277	N	98.7	Very high	98.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	101.1	179.2	-174.8	20.2	0	0	0	111.6	F275 S279 Q281 T283 G300 D302 D303 F464	F275-N277 HydrophobicContact CE1-CB 4.08Å; N277-S279 VanDerWaalsContact C-N 3.28Å; N277-S279 VanDerWaalsContact CG-O 3.32Å; N277-S279 PolarHBondContact ND2-O 3.4Å; N277-S279 VanDerWaalsContact ND2-O 3.15Å; N277-S279 PolarHBondContact O-N 3.05Å; N277-S279 PolarHBondContact OD1-N 3.4Å; N277-S279 PolarHBondContact OD1-O 2.83Å; N277-Q281 PolarHBondContact ND2-O 3.06Å; N277-Q281 PolarHBondContact OD1-NE2 3.48Å; N277-T283 PolarHBondContact ND2-OG1 2.87Å; N277-G300 PolarHBondContact N-O 3.24Å; N277-D302 WeakPolarHBondContact CB-OD1 3.13Å; N277-D302 PolarHBondContact ND2-OD1 3.36Å; N277-D303 PolarHBondContact O-N 3.26Å; N277-F464 VanDerWaalsContact O-CE1 3.25Å; N277-F464 WeakPolarHBondContact O-CE1 3.31Å
278	G	98.3	Very high	98.1	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.01	7%	0.068	C	C	.	.			trans	-80.4	-1.7	178	0	0	0	0	0	115.6	W227 D303 F304	W227-G278 WeakPolarHBondContact O-CA 3.32Å; W227-G278 PolarHBondContact O-N 3.37Å; G278-D303 WeakPolarHBondContact O-CA 3.46Å; G278-F304 WeakPolarHBondContact O-CD2 3.48Å; G278-F304 PolarHBondContact O-N 3.04Å
279	S	97.1	Very high	98.1	Very high	8 Å²	8	12.4 Å²	12.4	6%	0.056	8%	0.079	C	C	.	.	S	Bend	trans	-120.3	163.9	-176.2	-65	0	0	0	0	110.9	W227 A229 N277 D303	W227-S279 VanDerWaalsContact CD1-OG 3.3Å; W227-S279 PolarHBondContact NE1-OG 3Å; A229-S279 PolarHBondContact O-OG 3.04Å; A229-S279 VanDerWaalsContact O-OG 3.14Å; N277-S279 VanDerWaalsContact C-N 3.28Å; N277-S279 VanDerWaalsContact CG-O 3.32Å; N277-S279 PolarHBondContact ND2-O 3.4Å; N277-S279 VanDerWaalsContact ND2-O 3.15Å; N277-S279 PolarHBondContact O-N 3.05Å; N277-S279 PolarHBondContact OD1-N 3.4Å; N277-S279 PolarHBondContact OD1-O 2.83Å; S279-D303 PolarHBondContact O-N 3.36Å; S279-D303 VanDerWaalsContact O-N 3.16Å
280	P	96.6	Very high	98.1	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-87.5	-5	-166.4	35.3	-38.8	0	0	0	115.3	T231 F234 D303 S351 K352 T355	T231-P280 HydrophobicContact CG2-CG 3.41Å; T231-P280 VanDerWaalsContact CG2-CG 3.41Å; T231-P280 WeakPolarHBondContact OG1-CD 3.25Å; F234-P280 WeakPolarHBondContact CE2-O 3.46Å; F234-P280 WeakPolarHBondContact CZ-O 3.32Å; P280-D303 HydrophobicContact CB-CB 3.84Å; P280-S351 WeakPolarHBondContact CB-O 3.39Å; P280-K352 HydrophobicContact CB-CD 4.47Å; P280-K352 HydrophobicContact CG-CB 4.3Å; P280-K352 HydrophobicContact CG-CD 4.04Å; P280-T355 HydrophobicContact CB-CG2 3.69Å; P280-T355 WeakPolarHBondContact CB-OG1 3.36Å
281	Q	96.8	Very high	98.1	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	9%	0.089	C	C	.	.	S	Bend	trans	-65.1	150.6	175.7	71.3	-81.7	-0.4	0	0	111	W227 E232 N277 T283	W227-Q281 VanDerWaalsContact NE1-NE2 3.14Å; E232-Q281 HydrophobicContact CB-CB 3.9Å; E232-Q281 HydrophobicContact CB-CG 3.82Å; E232-Q281 HydrophobicContact CG-CG 4.31Å; N277-Q281 PolarHBondContact ND2-O 3.06Å; N277-Q281 PolarHBondContact OD1-NE2 3.48Å; Q281-T283 WeakPolarHBondContact CG-OG1 3.16Å; Q281-T283 PolarHBondContact NE2-OG1 3.08Å; Q281-T283 PolarHBondContact O-N 2.82Å
282	N	96.3	Very high	98.1	Very high	26 Å²	26	13.1 Å²	13.1	14%	0.139	8%	0.082	C	C	.	.			trans	-76.8	57	178.9	62.6	-30.4	0	0	0	113.3	F234 C235 L284 V285	F234-N282 VanDerWaalsContact CA-OD1 3.24Å; F234-N282 WeakPolarHBondContact CA-OD1 3.25Å; F234-N282 HydrophobicContact CD1-CB 3.71Å; F234-N282 WeakPolarHBondContact CD1-OD1 3.34Å; F234-N282 HydrophobicContact CE1-CB 3.63Å; F234-N282 HydrophobicContact CG-CB 4.46Å; F234-N282 HydrophobicContact CZ-CB 4.3Å; C235-N282 PolarHBondContact N-OD1 2.94Å; C235-N282 PolarHBondContact O-ND2 2.91Å; N282-L284 PolarHBondContact O-N 3.17Å; N282-V285 WeakPolarHBondContact O-CG1 3.41Å
283	T	98.1	Very high	98.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.075	C	C	.	.			trans	-51.7	-43	-180	-55.6	0	0	0	0	112.6	S261 T262 A265 F275 N277 Q281 V285	S261-T283 WeakPolarHBondContact CB-OG1 3.25Å; S261-T283 VanDerWaalsContact O-CG2 3.31Å; S261-T283 WeakPolarHBondContact O-CG2 3.28Å; S261-T283 PolarHBondContact OG-OG1 3.35Å; T262-T283 PolarHBondContact OG1-O 2.83Å; A265-T283 HydrophobicContact CB-CG2 3.95Å; F275-T283 HydrophobicContact CE1-CG2 3.62Å; F275-T283 HydrophobicContact CZ-CG2 3.92Å; N277-T283 PolarHBondContact ND2-OG1 2.87Å; Q281-T283 WeakPolarHBondContact CG-OG1 3.16Å; Q281-T283 PolarHBondContact NE2-OG1 3.08Å; Q281-T283 PolarHBondContact O-N 2.82Å; T283-V285 VanDerWaalsContact C-N 3.28Å; T283-V285 PolarHBondContact O-N 3.05Å; T283-V285 VanDerWaalsContact O-N 3.11Å
284	L	97.4	Very high	98	Very high	11 Å²	11	18.1 Å²	18.1	6%	0.058	10%	0.098	C	C	.	.	S	Bend	trans	-89.8	62.5	-173.4	-65.8	167.4	0	0	0	110.4	A265 F275 N282 L289 V299 L468	A265-L284 HydrophobicContact CB-CD2 4.3Å; F275-L284 HydrophobicContact CD1-CD2 4.24Å; N282-L284 PolarHBondContact O-N 3.17Å; L284-L289 HydrophobicContact CB-CD2 3.93Å; L284-L289 HydrophobicContact CB-CG 4.26Å; L284-L289 WeakPolarHBondContact O-CD1 3.31Å; L284-L289 WeakPolarHBondContact O-CG 3.47Å; L284-V299 HydrophobicContact CD1-CB 3.95Å; L284-V299 HydrophobicContact CD1-CG2 4.29Å; L284-V299 HydrophobicContact CD2-CB 3.9Å; L284-V299 HydrophobicContact CD2-CG1 3.91Å; L284-V299 HydrophobicContact CD2-CG2 4.32Å; L284-L468 HydrophobicContact CB-CD1 3.87Å; L284-L468 HydrophobicContact CD1-CD1 3.23Å; L284-L468 HydrophobicContact CG-CD1 4.14Å
285	V	97.5	Very high	98	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.024	12%	0.123	C	C	.	.			trans	-56.8	160.4	171.1	-63.6	0	0	0	0	111.5	N242 L248 T262 N282 T283 G287 A288 L289	N242-V285 HydrophobicContact CB-CB 4.43Å; N242-V285 HydrophobicContact CB-CG2 4.03Å; L248-V285 HydrophobicContact CD2-CG2 4.17Å; T262-V285 HydrophobicContact CG2-CG2 4.23Å; N282-V285 WeakPolarHBondContact O-CG1 3.41Å; T283-V285 VanDerWaalsContact C-N 3.28Å; T283-V285 PolarHBondContact O-N 3.05Å; T283-V285 VanDerWaalsContact O-N 3.11Å; V285-G287 VanDerWaalsContact C-N 3.27Å; V285-G287 PolarHBondContact O-N 3.29Å; V285-G287 VanDerWaalsContact O-N 3.13Å; V285-A288 HydrophobicContact CG2-CB 4.02Å; V285-A288 WeakPolarHBondContact O-CA 3.39Å; V285-A288 WeakPolarHBondContact O-CB 3.29Å; V285-A288 PolarHBondContact O-N 3.32Å; V285-L289 PolarHBondContact O-N 3.44Å
286	P	97.9	Very high	97.9	Very high	55 Å²	55	32.4 Å²	32.4	36%	0.357	16%	0.159	S	C	.	.	H	α-helix	trans	-51.5	-41.5	-175.6	-30.2	37.4	0	0	0	114.4	V237 D243 A288 L289 E290	V237-P286 HydrophobicContact CG1-CG 3.89Å; D243-P286 WeakPolarHBondContact O-CB 3.39Å; P286-A288 VanDerWaalsContact C-N 3.32Å; P286-A288 PolarHBondContact O-N 3.12Å; P286-L289 PolarHBondContact O-N 3.36Å; P286-E290 WeakPolarHBondContact O-CB 3.32Å; P286-E290 PolarHBondContact O-N 2.84Å
287	G	98.2	Very high	97.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-30.7	176.4	0	0	0	0	0	114.5	N242 T244 A245 V285 L291	N242-G287 PolarHBondContact O-N 3.23Å; T244-G287 WeakPolarHBondContact O-CA 3.39Å; A245-G287 WeakPolarHBondContact CA-O 3.45Å; V285-G287 VanDerWaalsContact C-N 3.27Å; V285-G287 PolarHBondContact O-N 3.29Å; V285-G287 VanDerWaalsContact O-N 3.13Å; G287-L291 WeakPolarHBondContact O-CB 3.44Å; G287-L291 PolarHBondContact O-N 3.06Å
288	A	98.4	Very high	97.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-74.3	-38.9	174.5	0	0	0	0	0	111.6	L248 V285 P286 L291 A292	L248-A288 HydrophobicContact CD2-CB 3.92Å; V285-A288 HydrophobicContact CG2-CB 4.02Å; V285-A288 WeakPolarHBondContact O-CA 3.39Å; V285-A288 WeakPolarHBondContact O-CB 3.29Å; V285-A288 PolarHBondContact O-N 3.32Å; P286-A288 VanDerWaalsContact C-N 3.32Å; P286-A288 PolarHBondContact O-N 3.12Å; A288-L291 PolarHBondContact O-N 2.79Å; A288-A292 WeakPolarHBondContact O-CB 3.42Å; A288-A292 PolarHBondContact O-N 3.03Å
289	L	98.5	Very high	98	Very high	46 Å²	46	33.8 Å²	33.8	24%	0.241	17%	0.165	C	C	.	.	H	α-helix	trans	-65.3	-41.6	174.7	-67.6	174.1	0	0	0	111.9	L284 V285 P286 A292 S293 V299 V456	L284-L289 HydrophobicContact CB-CD2 3.93Å; L284-L289 HydrophobicContact CB-CG 4.26Å; L284-L289 WeakPolarHBondContact O-CD1 3.31Å; L284-L289 WeakPolarHBondContact O-CG 3.47Å; V285-L289 PolarHBondContact O-N 3.44Å; P286-L289 PolarHBondContact O-N 3.36Å; L289-A292 PolarHBondContact O-N 2.68Å; L289-S293 WeakPolarHBondContact O-CB 3.35Å; L289-S293 PolarHBondContact O-N 2.84Å; L289-S293 PolarHBondContact O-OG 3.45Å; L289-V299 HydrophobicContact CD2-CG2 3.99Å; L289-V456 HydrophobicContact CD2-CG2 3.79Å
290	E	98.6	Very high	98	Very high	76 Å²	76	33.5 Å²	33.5	36%	0.355	16%	0.164	S	C	.	.	H	α-helix	trans	-63	-45.4	174.3	-169.5	-169.9	175.5	0	0	110.6	T244 A245 P286 A292 S293 Q294	T244-E290 WeakPolarHBondContact CA-OE2 3.35Å; T244-E290 VanDerWaalsContact CB-OE2 3.23Å; T244-E290 WeakPolarHBondContact CB-OE2 3.41Å; A245-E290 HydrophobicContact CB-CB 4.16Å; A245-E290 HydrophobicContact CB-CG 4.16Å; A245-E290 PolarHBondContact N-OE2 3.25Å; P286-E290 WeakPolarHBondContact O-CB 3.32Å; P286-E290 PolarHBondContact O-N 2.84Å; E290-A292 PolarHBondContact O-N 3.13Å; E290-S293 WeakPolarHBondContact O-CA 3.47Å; E290-S293 WeakPolarHBondContact O-CB 3.35Å; E290-S293 PolarHBondContact O-N 2.89Å; E290-S293 VanDerWaalsContact O-N 3.08Å; E290-Q294 WeakPolarHBondContact O-CG 3.25Å; E290-Q294 PolarHBondContact O-N 2.89Å; E290-Q294 PolarHBondContact OE1-NE2 3.25Å; E290-Q294 VanDerWaalsContact OE1-NE2 3.1Å
291	L	98.8	Very high	98	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-61.1	-43.3	177.1	-176.3	65.7	0	0	0	111.9	A245 L249 V266 I269 L270 G287 A288 S293 Q294 R295	A245-L291 HydrophobicContact CB-CB 3.9Å; A245-L291 HydrophobicContact CB-CD1 4.34Å; L249-L291 HydrophobicContact CD1-CD1 4.19Å; L249-L291 HydrophobicContact CD2-CD2 4.3Å; V266-L291 HydrophobicContact CB-CD2 4.42Å; V266-L291 HydrophobicContact CG1-CD2 3.94Å; V266-L291 HydrophobicContact CG2-CD2 4.23Å; I269-L291 HydrophobicContact CB-CD2 4.42Å; I269-L291 HydrophobicContact CG2-CD2 4.12Å; I269-L291 HydrophobicContact CG2-CG 3.75Å; L270-L291 HydrophobicContact CD2-CD1 4.46Å; L270-L291 HydrophobicContact CD2-CD2 4.48Å; G287-L291 WeakPolarHBondContact O-CB 3.44Å; G287-L291 PolarHBondContact O-N 3.06Å; A288-L291 PolarHBondContact O-N 2.79Å; L291-S293 PolarHBondContact O-N 3.16Å; L291-Q294 PolarHBondContact O-N 3.07Å; L291-R295 HydrophobicContact CD1-CG 4.3Å; L291-R295 WeakPolarHBondContact O-CB 3.36Å; L291-R295 WeakPolarHBondContact O-CG 3.33Å; L291-R295 PolarHBondContact O-N 3.35Å
292	A	98.7	Very high	97.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59	-38.3	174.5	0	0	0	0	0	111.5	I269 A288 L289 E290 R295 H296 V297 V299	I269-A292 HydrophobicContact CD1-CB 3.87Å; I269-A292 HydrophobicContact CG1-CB 4.23Å; A288-A292 WeakPolarHBondContact O-CB 3.42Å; A288-A292 PolarHBondContact O-N 3.03Å; L289-A292 PolarHBondContact O-N 2.68Å; E290-A292 PolarHBondContact O-N 3.13Å; A292-R295 PolarHBondContact O-N 2.95Å; A292-H296 PolarHBondContact O-N 3.49Å; A292-V297 PolarHBondContact O-N 3.09Å; A292-V299 HydrophobicContact CB-CG1 3.73Å; A292-V299 HydrophobicContact CB-CG2 4.14Å
293	S	98.2	Very high	98	Very high	46 Å²	46	33.1 Å²	33.1	32%	0.322	16%	0.162	S	C	.	.	H	α-helix	trans	-69	-45.9	178.2	-54.9	0	0	0	0	112.5	L289 E290 L291 R295 H296	L289-S293 WeakPolarHBondContact O-CB 3.35Å; L289-S293 PolarHBondContact O-N 2.84Å; L289-S293 PolarHBondContact O-OG 3.45Å; E290-S293 WeakPolarHBondContact O-CA 3.47Å; E290-S293 WeakPolarHBondContact O-CB 3.35Å; E290-S293 PolarHBondContact O-N 2.89Å; E290-S293 VanDerWaalsContact O-N 3.08Å; L291-S293 PolarHBondContact O-N 3.16Å; S293-R295 PolarHBondContact O-N 3.29Å; S293-H296 PolarHBondContact O-N 3.09Å
294	Q	98.3	Very high	98	Very high	105 Å²	105	33.6 Å²	33.6	49%	0.491	16%	0.164	S	C	.	.	H	α-helix	trans	-61.5	-30.1	175.6	-68.9	173	2.9	0	0	112.8	E290 L291	E290-Q294 WeakPolarHBondContact O-CG 3.25Å; E290-Q294 PolarHBondContact O-N 2.89Å; E290-Q294 PolarHBondContact OE1-NE2 3.25Å; E290-Q294 VanDerWaalsContact OE1-NE2 3.1Å; L291-Q294 PolarHBondContact O-N 3.07Å
295	R	98.3	Very high	97.9	Very high	139 Å²	139	33.1 Å²	33.1	53%	0.525	16%	0.162	S	C	.	.	H	α-helix	trans	-97	-3.2	-179	-63.4	-62.2	-172.3	144.1	0.1	113.9	I269 L291 A292 S293 V297	I269-R295 HydrophobicContact CG2-CB 3.84Å; I269-R295 HydrophobicContact CG2-CG 3.86Å; L291-R295 HydrophobicContact CD1-CG 4.3Å; L291-R295 WeakPolarHBondContact O-CB 3.36Å; L291-R295 WeakPolarHBondContact O-CG 3.33Å; L291-R295 PolarHBondContact O-N 3.35Å; A292-R295 PolarHBondContact O-N 2.95Å; S293-R295 PolarHBondContact O-N 3.29Å; R295-V297 HydrophobicContact CB-CG2 3.9Å; R295-V297 PolarHBondContact O-N 3.03Å
296	H	97.4	Very high	97.6	Very high	161 Å²	161	33.5 Å²	33.5	75%	0.745	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	41.6	-173.8	-56	-76	0	0	0	113.1	A292 S293	A292-H296 PolarHBondContact O-N 3.49Å; S293-H296 PolarHBondContact O-N 3.09Å
297	V	98.5	Very high	97.2	Very high	10 Å²	10	31.4 Å²	31.4	6%	0.061	15%	0.153	C	C	.	.			trans	-105.9	135.5	-179.7	175	0	0	0	0	110.1	I269 C273 A292 R295	I269-V297 HydrophobicContact CG1-CG1 4.29Å; I269-V297 HydrophobicContact CG2-CB 4.31Å; I269-V297 HydrophobicContact CG2-CG2 4.4Å; C273-V297 WeakPolarHBondContact O-CG1 3.45Å; A292-V297 PolarHBondContact O-N 3.09Å; R295-V297 HydrophobicContact CB-CG2 3.9Å; R295-V297 PolarHBondContact O-N 3.03Å
298	F	98.8	Very high	97	Very high	19 Å²	19	31.6 Å²	31.6	8%	0.083	15%	0.154	C	C	.	.			trans	-70.8	136.5	177.4	-65.7	-43.7	0	0	0	113	A274 F275 C437 Q438 F453 P455 L457	A274-F298 CarbonylContact C-O 3.38Å; A274-F298 WeakPolarHBondContact CA-O 3.29Å; A274-F298 HydrophobicContact CB-CB 4.04Å; A274-F298 WeakPolarHBondContact CB-O 3.38Å; F275-F298 PolarHBondContact N-O 3.36Å; F298-C437 HydrophobicContact CE2-CB 4.15Å; F298-Q438 HydrophobicContact CD2-CG 3.47Å; F298-Q438 VanDerWaalsContact CD2-CG 3.47Å; F298-Q438 HydrophobicContact CE2-CB 4.23Å; F298-Q438 HydrophobicContact CE2-CG 3.52Å; F298-F453 HydrophobicContact CE1-CB 3.87Å; F298-F453 WeakPolarHBondContact CE1-O 3.4Å; F298-F453 HydrophobicContact CZ-CB 3.97Å; F298-P455 CarbonylContact C-O 3.41Å; F298-P455 VanDerWaalsContact CA-O 3.25Å; F298-P455 WeakPolarHBondContact CA-O 3.49Å; F298-L457 HydrophobicContact CD1-CB 4.43Å; F298-L457 HydrophobicContact CD1-CD1 4.28Å; F298-L457 HydrophobicContact CD2-CD2 4.36Å; F298-L457 HydrophobicContact CE1-CD1 4.26Å; F298-L457 HydrophobicContact CG-CD2 4.34Å
299	V	98.8	Very high	96.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.9	168.9	-62.8	0	0	0	0	109.7	I269 F275 L284 L289 A292 P455 V456 L457	I269-V299 HydrophobicContact CD1-CG1 4.14Å; I269-V299 HydrophobicContact CG1-CG1 4.25Å; F275-V299 HydrophobicContact CB-CG1 4.42Å; F275-V299 VanDerWaalsContact O-CA 3.24Å; F275-V299 WeakPolarHBondContact O-CA 3.36Å; L284-V299 HydrophobicContact CD1-CB 3.95Å; L284-V299 HydrophobicContact CD1-CG2 4.29Å; L284-V299 HydrophobicContact CD2-CB 3.9Å; L284-V299 HydrophobicContact CD2-CG1 3.91Å; L284-V299 HydrophobicContact CD2-CG2 4.32Å; L289-V299 HydrophobicContact CD2-CG2 3.99Å; A292-V299 HydrophobicContact CB-CG1 3.73Å; A292-V299 HydrophobicContact CB-CG2 4.14Å; V299-P455 PolarHBondContact N-O 2.95Å; V299-V456 HydrophobicContact CG2-CG2 4.13Å; V299-L457 PolarHBondContact O-N 3.05Å
300	G	98.3	Very high	96.7	Very high	2 Å²	2	31.9 Å²	31.9	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	155.7	178.9	0	0	0	0	0	111.2	F275 L276 N277	F275-G300 PolarHBondContact O-N 3.28Å; L276-G300 CarbonylContact C-O 3.48Å; L276-G300 WeakPolarHBondContact CA-O 3.29Å; N277-G300 PolarHBondContact N-O 3.24Å
301	G	96.2	Very high	96.6	Very high	2 Å²	2	30.8 Å²	30.8	2%	0.021	15%	0.152	C	C	.	.			trans	162.1	177.7	-174.7	0	0	0	0	0	110	F464 A466 P467 L468	G301-F464 VanDerWaalsContact N-CE2 3.25Å; G301-A466 CarbonylContact C-O 3.43Å; G301-P467 CarbonylContact O-C 3.56Å; G301-P467 VanDerWaalsContact O-CA 3.32Å; G301-P467 WeakPolarHBondContact O-CA 3.5Å; G301-L468 PolarHBondContact O-N 2.77Å
302	D	95.1	Very high	96.4	Very high	15 Å²	15	30.7 Å²	30.7	8%	0.08	15%	0.151	C	C	.	.	S	Bend	cis	-120.8	152.4	-0.4	-66	-37.5	0	0	0	111.8	N277 K465 A466	N277-D302 WeakPolarHBondContact CB-OD1 3.13Å; N277-D302 PolarHBondContact ND2-OD1 3.36Å; D302-K465 PolarHBondContact O-N 3.37Å; D302-A466 PolarHBondContact N-O 2.74Å; D302-A466 PolarHBondContact O-N 2.79Å
303	D	97.3	Very high	96.2	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.016	15%	0.152	C	C	.	.	S	Bend	trans	63.8	125.7	175.3	-160.9	24.3	0	0	0	116	N277 G278 S279 P280 K305 K352 F464 K465	N277-D303 PolarHBondContact O-N 3.26Å; G278-D303 WeakPolarHBondContact O-CA 3.46Å; S279-D303 PolarHBondContact O-N 3.36Å; S279-D303 VanDerWaalsContact O-N 3.16Å; P280-D303 HydrophobicContact CB-CB 3.84Å; D303-K305 PolarHBondContact O-N 3.11Å; D303-K352 IonicContact OD1-NZ 3.52Å; D303-K352 PolarHBondContact OD1-NZ 3.15Å; D303-K352 WeakPolarHBondContact OD2-CD 3.22Å; D303-K352 IonicContact OD2-NZ 2.77Å; D303-K352 PolarHBondContact OD2-NZ 3.16Å; D303-F464 CarbonylContact O-C 3.52Å; D303-F464 VanDerWaalsContact O-CA 3.25Å; D303-F464 WeakPolarHBondContact O-CA 3.4Å; D303-K465 HydrophobicContact CB-CB 4.24Å; D303-K465 HydrophobicContact CB-CD 4.48Å; D303-K465 HydrophobicContact CB-CG 4.35Å; D303-K465 PolarHBondContact O-N 2.94Å; D303-K465 IonicContact OD1-NZ 3.8Å; D303-K465 PolarHBondContact OD1-NZ 3.41Å; D303-K465 VanDerWaalsContact OD2-CD 3.23Å; D303-K465 WeakPolarHBondContact OD2-CD 3.46Å; D303-K465 WeakPolarHBondContact OD2-CE 3.47Å; D303-K465 IonicContact OD2-NZ 3.42Å; D303-K465 PolarHBondContact OD2-NZ 3.2Å
304	F	97.7	Very high	96.1	Very high	10 Å²	10	30.7 Å²	30.7	4%	0.044	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-59.3	127.2	-178.2	-60.2	-48.8	0	0	0	113.3	L226 G278 S306 A423 I426 M427 L430 K465	L226-F304 HydrophobicContact CD2-CE1 4.4Å; L226-F304 HydrophobicContact CD2-CZ 3.8Å; G278-F304 WeakPolarHBondContact O-CD2 3.48Å; G278-F304 PolarHBondContact O-N 3.04Å; F304-S306 VanDerWaalsContact C-N 3.26Å; F304-S306 PolarHBondContact O-N 2.86Å; F304-A423 HydrophobicContact CD2-CB 4.4Å; F304-I426 HydrophobicContact CB-CG2 4.34Å; F304-I426 HydrophobicContact CD1-CG2 3.92Å; F304-I426 HydrophobicContact CG-CG2 4.42Å; F304-M427 HydrophobicContact CE1-CG 3.81Å; F304-M427 HydrophobicContact CE2-CG 3.97Å; F304-M427 HydrophobicContact CE2-SD 4.3Å; F304-M427 HydrophobicContact CZ-CG 3.44Å; F304-M427 VanDerWaalsContact CZ-CG 3.44Å; F304-M427 HydrophobicContact CZ-SD 4.2Å; F304-L430 HydrophobicContact CD1-CD1 3.76Å; F304-L430 HydrophobicContact CE1-CD1 3.49Å; F304-L430 VanDerWaalsContact CE1-CD1 3.49Å; F304-K465 VanDerWaalsContact O-CE 3.22Å; F304-K465 WeakPolarHBondContact O-CE 3.46Å; F304-K465 WeakPolarHBondContact O-CG 3.31Å; F304-K465 PolarHBondContact O-NZ 3.13Å
305	K	96.6	Very high	96.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.			trans	-80.4	71.2	174	-169.3	179.8	-84.5	149	0	111.2	D303 T309 K310 I426 S461 L463 F464 K465 L479 Q482	D303-K305 PolarHBondContact O-N 3.11Å; K305-T309 HydrophobicContact CG-CG2 4.41Å; K305-K310 HydrophobicContact CG-CB 4.02Å; K305-K310 HydrophobicContact CG-CG 4.39Å; K305-I426 VanDerWaalsContact O-CD1 3.26Å; K305-I426 WeakPolarHBondContact O-CD1 3.35Å; K305-S461 PolarHBondContact NZ-O 2.98Å; K305-L463 PolarHBondContact N-O 2.94Å; K305-F464 WeakPolarHBondContact CE-O 3.23Å; K305-F464 PolarHBondContact NZ-O 3.42Å; K305-K465 HydrophobicContact CB-CG 4.16Å; K305-L479 HydrophobicContact CD-CD1 3.83Å; K305-Q482 VanDerWaalsContact NZ-NE2 3.12Å
306	S	90.1	Very high	95.9	Very high	13 Å²	13	20.5 Å²	20.5	9%	0.091	11%	0.109	C	C	.	.			trans	-86.7	-176.1	174.2	72.6	0	0	0	0	112.4	F304 Q308 T309 K310 D419	F304-S306 VanDerWaalsContact C-N 3.26Å; F304-S306 PolarHBondContact O-N 2.86Å; S306-Q308 PolarHBondContact O-N 3.41Å; S306-T309 PolarHBondContact O-N 3.28Å; S306-K310 WeakPolarHBondContact O-CB 3.49Å; S306-K310 PolarHBondContact O-N 3.08Å; S306-K310 VanDerWaalsContact O-N 3.08Å; S306-D419 PolarHBondContact OG-OD1 3.28Å
307	G	90.7	Very high	95.8	Very high	10 Å²	10	14.1 Å²	14.1	10%	0.103	8%	0.08	C	C	.	.	H	α-helix	trans	8.5	-99.8	172.1	0	0	0	0	0	118.1	K310 V311	G307-K310 PolarHBondContact O-N 3.29Å; G307-V311 WeakPolarHBondContact O-CG2 3.47Å; G307-V311 PolarHBondContact O-N 3.42Å
308	Q	94.4	Very high	95.8	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.019	10%	0.1	C	C	.	.	H	α-helix	trans	-60.3	-50.8	-169.7	-179.2	-179.7	69.9	0	0	113.1	S306 K310 V311 K312 Y332 N333 A395 D397	S306-Q308 PolarHBondContact O-N 3.41Å; Q308-K310 VanDerWaalsContact C-N 3.3Å; Q308-K310 PolarHBondContact O-N 3.04Å; Q308-V311 PolarHBondContact O-N 2.89Å; Q308-K312 PolarHBondContact O-N 3.27Å; Q308-Y332 PolarHBondContact NE2-O 2.92Å; Q308-N333 PolarHBondContact NE2-ND2 2.68Å; Q308-N333 PolarHBondContact NE2-OD1 2.9Å; Q308-N333 VanDerWaalsContact OE1-CG 3.26Å; Q308-N333 PolarHBondContact OE1-ND2 3.3Å; Q308-N333 PolarHBondContact OE1-OD1 3.19Å; Q308-A395 HydrophobicContact CB-CB 3.82Å; Q308-A395 HydrophobicContact CG-CB 4.04Å; Q308-D397 WeakPolarHBondContact CG-OD1 3.47Å; Q308-D397 WeakPolarHBondContact CG-OD2 3.26Å; Q308-D397 VanDerWaalsContact NE2-CG 3.26Å; Q308-D397 PolarHBondContact NE2-OD1 3.15Å; Q308-D397 VanDerWaalsContact NE2-OD1 3.1Å; Q308-D397 PolarHBondContact NE2-OD2 2.83Å
309	T	93.2	Very high	95.7	Very high	2 Å²	2	18 Å²	18	1%	0.012	10%	0.096	C	C	.	.	H	α-helix	trans	-67.2	-36	-175.4	-57.4	0	0	0	0	111.3	K305 S306 V311 K312 S313 V359 K465	K305-T309 HydrophobicContact CG-CG2 4.41Å; S306-T309 PolarHBondContact O-N 3.28Å; T309-V311 VanDerWaalsContact C-N 3.33Å; T309-V311 PolarHBondContact O-N 3.11Å; T309-K312 PolarHBondContact O-N 2.84Å; T309-S313 PolarHBondContact O-N 3.17Å; T309-S313 PolarHBondContact O-OG 3.41Å; T309-V359 HydrophobicContact CG2-CB 4.35Å; T309-V359 HydrophobicContact CG2-CG1 3.69Å; T309-V359 HydrophobicContact CG2-CG2 4.2Å; T309-K465 HydrophobicContact CG2-CB 4.2Å; T309-K465 HydrophobicContact CG2-CD 3.8Å; T309-K465 HydrophobicContact CG2-CG 3.79Å; T309-K465 WeakPolarHBondContact OG1-CD 3.42Å; T309-K465 VanDerWaalsContact OG1-CE 3.29Å; T309-K465 WeakPolarHBondContact OG1-CE 3.46Å
310	K	95.9	Very high	95.6	Very high	50 Å²	50	18.1 Å²	18.1	22%	0.217	10%	0.097	C	C	.	.	H	α-helix	trans	-60.2	-43.3	174.4	-164.1	168.2	-171	163	0	111.7	K305 S306 G307 Q308 V314 L479	K305-K310 HydrophobicContact CG-CB 4.02Å; K305-K310 HydrophobicContact CG-CG 4.39Å; S306-K310 WeakPolarHBondContact O-CB 3.49Å; S306-K310 PolarHBondContact O-N 3.08Å; S306-K310 VanDerWaalsContact O-N 3.08Å; G307-K310 PolarHBondContact O-N 3.29Å; Q308-K310 VanDerWaalsContact C-N 3.3Å; Q308-K310 PolarHBondContact O-N 3.04Å; K310-V314 PolarHBondContact O-N 2.79Å; K310-L479 HydrophobicContact CD-CD2 4.44Å; K310-L479 HydrophobicContact CG-CD1 3.97Å; K310-L479 HydrophobicContact CG-CD2 3.66Å; K310-L479 HydrophobicContact CG-CG 4.5Å
311	V	96.5	Very high	95.5	Very high	53 Å²	53	22.1 Å²	22.1	32%	0.321	12%	0.124	S	C	.	.	H	α-helix	trans	-66.7	-42.4	174.8	174.2	0	0	0	0	111.5	G307 Q308 T309 S313 V314 L315 L413	G307-V311 WeakPolarHBondContact O-CG2 3.47Å; G307-V311 PolarHBondContact O-N 3.42Å; Q308-V311 PolarHBondContact O-N 2.89Å; T309-V311 VanDerWaalsContact C-N 3.33Å; T309-V311 PolarHBondContact O-N 3.11Å; V311-S313 VanDerWaalsContact C-N 3.35Å; V311-S313 PolarHBondContact O-N 3.44Å; V311-V314 WeakPolarHBondContact O-CB 3.13Å; V311-V314 PolarHBondContact O-N 2.9Å; V311-L315 HydrophobicContact CG1-CD1 3.72Å; V311-L315 HydrophobicContact CG1-CG 4.06Å; V311-L315 PolarHBondContact O-N 3.1Å; V311-L413 HydrophobicContact CG1-CD2 4.34Å
312	K	95.7	Very high	95.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-56.5	-46.9	176.4	-175.2	-179.4	-54.2	179.3	0	112	Q308 T309 V314 L315 V316 I329 S331 K356 V359 V360 H379 Y399	Q308-K312 PolarHBondContact O-N 3.27Å; T309-K312 PolarHBondContact O-N 2.84Å; K312-V314 PolarHBondContact O-N 2.79Å; K312-L315 PolarHBondContact O-N 3.39Å; K312-V316 HydrophobicContact CG-CG2 4.16Å; K312-V316 WeakPolarHBondContact O-CG2 3.35Å; K312-V316 PolarHBondContact O-N 3.01Å; K312-I329 HydrophobicContact CD-CG2 4.42Å; K312-S331 WeakPolarHBondContact CE-OG 3.43Å; K312-S331 PolarHBondContact NZ-OG 3.47Å; K312-K356 PolarHBondContact NZ-O 3.01Å; K312-V359 HydrophobicContact CD-CG2 3.64Å; K312-V359 HydrophobicContact CG-CG2 4.24Å; K312-V360 HydrophobicContact CD-CG1 4.2Å; K312-V360 HydrophobicContact CG-CG1 4.41Å; K312-H379 PolarHBondContact NZ-NE2 2.77Å; K312-H379 VanDerWaalsContact NZ-NE2 3.12Å; K312-Y399 WeakPolarHBondContact CA-OH 3.38Å; K312-Y399 WeakPolarHBondContact CB-OH 3.4Å; K312-Y399 HydrophobicContact CG-CE1 4.22Å; K312-Y399 WeakPolarHBondContact CG-OH 3.47Å
313	S	94.7	Very high	95.7	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-62	-24.3	176.9	-65.2	0	0	0	0	113.6	T309 V311 D317 N477	T309-S313 PolarHBondContact O-N 3.17Å; T309-S313 PolarHBondContact O-OG 3.41Å; V311-S313 VanDerWaalsContact C-N 3.35Å; V311-S313 PolarHBondContact O-N 3.44Å; S313-D317 WeakPolarHBondContact O-CB 3.25Å; S313-N477 WeakPolarHBondContact CB-O 3.45Å; S313-N477 PolarHBondContact OG-O 2.88Å
314	V	96.5	Very high	95.7	Very high	43 Å²	43	28.1 Å²	28.1	26%	0.261	17%	0.171	S	C	.	.	H	α-helix	trans	-81.7	-47.5	172.9	171.9	0	0	0	0	111	K310 V311 K312 D317 F318 L479 F480	K310-V314 PolarHBondContact O-N 2.79Å; V311-V314 WeakPolarHBondContact O-CB 3.13Å; V311-V314 PolarHBondContact O-N 2.9Å; K312-V314 PolarHBondContact O-N 2.79Å; V314-D317 PolarHBondContact O-N 3.3Å; V314-F318 WeakPolarHBondContact O-CB 3.35Å; V314-F318 PolarHBondContact O-N 3.5Å; V314-L479 HydrophobicContact CG2-CB 3.91Å; V314-L479 HydrophobicContact CG2-CD2 3.4Å; V314-L479 HydrophobicContact CG2-CG 4.27Å; V314-F480 HydrophobicContact CG1-CE2 3.91Å; V314-F480 HydrophobicContact CG2-CE2 4.01Å
315	L	96.5	Very high	95.7	Very high	27 Å²	27	29.4 Å²	29.4	14%	0.141	18%	0.177	C	C	.	.	H	α-helix	trans	-66.6	-45.1	-174.6	-72.8	176.1	0	0	0	112.2	V311 K312 D317 F318 L319 Y399 L413	V311-L315 HydrophobicContact CG1-CD1 3.72Å; V311-L315 HydrophobicContact CG1-CG 4.06Å; V311-L315 PolarHBondContact O-N 3.1Å; K312-L315 PolarHBondContact O-N 3.39Å; L315-D317 VanDerWaalsContact C-N 3.3Å; L315-D317 PolarHBondContact O-N 2.95Å; L315-F318 PolarHBondContact O-N 2.67Å; L315-L319 WeakPolarHBondContact O-CB 3.42Å; L315-L319 WeakPolarHBondContact O-CG 3.37Å; L315-L319 PolarHBondContact O-N 3.22Å; L315-Y399 HydrophobicContact CB-CE1 4.42Å; L315-Y399 HydrophobicContact CD1-CD2 4.16Å; L315-Y399 HydrophobicContact CD1-CE2 3.6Å; L315-L413 HydrophobicContact CD1-CD1 3.83Å; L315-L413 HydrophobicContact CD1-CD2 3.65Å; L315-L413 HydrophobicContact CD1-CG 4.41Å
316	V	95.3	Very high	95.7	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.024	18%	0.177	C	C	.	.	H	α-helix	trans	-64.8	-39.7	180	173.4	0	0	0	0	110.8	K312 L319 I320 I329 V360 M363 Y399	K312-V316 HydrophobicContact CG-CG2 4.16Å; K312-V316 WeakPolarHBondContact O-CG2 3.35Å; K312-V316 PolarHBondContact O-N 3.01Å; V316-L319 PolarHBondContact O-N 2.93Å; V316-I320 HydrophobicContact CG1-CD1 3.71Å; V316-I320 HydrophobicContact CG1-CG1 4.5Å; V316-I320 WeakPolarHBondContact O-CB 3.5Å; V316-I320 WeakPolarHBondContact O-CG1 3.47Å; V316-I320 PolarHBondContact O-N 3.38Å; V316-I329 HydrophobicContact CG2-CD1 3.83Å; V316-V360 HydrophobicContact CB-CG1 4.41Å; V316-V360 HydrophobicContact CG1-CB 4.19Å; V316-V360 HydrophobicContact CG1-CG1 4.17Å; V316-V360 HydrophobicContact CG2-CG1 3.86Å; V316-M363 HydrophobicContact CG1-CB 4.05Å; V316-M363 HydrophobicContact CG1-CG 4.5Å; V316-Y399 HydrophobicContact CG2-CD1 4.44Å; V316-Y399 HydrophobicContact CG2-CE1 3.96Å
317	D	95.9	Very high	96.1	Very high	26 Å²	26	31.1 Å²	31.1	14%	0.139	18%	0.184	C	C	.	.	H	α-helix	trans	-61	-48.2	174.1	-177.8	39.5	0	0	0	111.4	S313 V314 L315 S321 M363 A478	S313-D317 WeakPolarHBondContact O-CB 3.25Å; V314-D317 PolarHBondContact O-N 3.3Å; L315-D317 VanDerWaalsContact C-N 3.3Å; L315-D317 PolarHBondContact O-N 2.95Å; D317-S321 WeakPolarHBondContact O-CB 3.42Å; D317-S321 PolarHBondContact O-N 2.84Å; D317-S321 PolarHBondContact O-OG 3.29Å; D317-S321 PolarHBondContact OD1-OG 2.96Å; D317-M363 HydrophobicContact CB-CE 4.46Å; D317-M363 HydrophobicContact CB-SD 4.48Å; D317-M363 VanDerWaalsContact OD1-CE 3.22Å; D317-M363 WeakPolarHBondContact OD1-CE 3.11Å; D317-A478 HydrophobicContact CB-CB 4.36Å
318	F	97.1	Very high	96.4	Very high	111 Å²	111	32 Å²	32	49%	0.487	19%	0.189	S	C	.	.	H	α-helix	trans	-58.9	-49.5	175.5	160.3	-106.5	0	0	0	112.9	V314 L315 S322	V314-F318 WeakPolarHBondContact O-CB 3.35Å; V314-F318 PolarHBondContact O-N 3.5Å; L315-F318 PolarHBondContact O-N 2.67Å; F318-S322 WeakPolarHBondContact CE2-OG 3.34Å; F318-S322 VanDerWaalsContact O-CB 3.25Å; F318-S322 WeakPolarHBondContact O-CB 3.21Å; F318-S322 PolarHBondContact O-N 2.84Å; F318-S322 PolarHBondContact O-OG 3.48Å
319	L	97.4	Very high	96.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.3	-52.5	-176.1	-71.6	171.4	0	0	0	110.5	L315 V316 S322 G323 L324 T326 Y399 L411	L315-L319 WeakPolarHBondContact O-CB 3.42Å; L315-L319 WeakPolarHBondContact O-CG 3.37Å; L315-L319 PolarHBondContact O-N 3.22Å; V316-L319 PolarHBondContact O-N 2.93Å; L319-S322 PolarHBondContact O-N 3.04Å; L319-G323 PolarHBondContact O-N 2.89Å; L319-L324 HydrophobicContact CB-CB 4.39Å; L319-L324 HydrophobicContact CD2-CB 4.45Å; L319-L324 HydrophobicContact CD2-CD1 3.6Å; L319-L324 VanDerWaalsContact O-CB 3.29Å; L319-L324 WeakPolarHBondContact O-CB 3.37Å; L319-L324 PolarHBondContact O-N 3.13Å; L319-T326 HydrophobicContact CD1-CG2 4.48Å; L319-Y399 HydrophobicContact CD1-CD1 4.22Å; L319-Y399 HydrophobicContact CD1-CG 4.44Å; L319-L411 HydrophobicContact CD2-CD1 4.02Å
320	I	96.6	Very high	96.8	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.015	20%	0.204	C	C	.	.	H	α-helix	trans	-67.1	-41.9	-178.2	-68.8	173	0	0	0	111.2	V316 S322 G323 M363 V364 N367 L370 Y371	V316-I320 HydrophobicContact CG1-CD1 3.71Å; V316-I320 HydrophobicContact CG1-CG1 4.5Å; V316-I320 WeakPolarHBondContact O-CB 3.5Å; V316-I320 WeakPolarHBondContact O-CG1 3.47Å; V316-I320 PolarHBondContact O-N 3.38Å; I320-S322 PolarHBondContact O-N 2.89Å; I320-G323 PolarHBondContact O-N 2.99Å; I320-M363 HydrophobicContact CB-CE 4.32Å; I320-M363 HydrophobicContact CD1-CB 3.8Å; I320-M363 HydrophobicContact CG2-CE 4.14Å; I320-V364 HydrophobicContact CD1-CG2 4.29Å; I320-N367 HydrophobicContact CG2-CB 3.87Å; I320-L370 HydrophobicContact CG2-CD1 4.3Å; I320-Y371 HydrophobicContact CD1-CE2 3.95Å; I320-Y371 HydrophobicContact CG1-CE2 4.16Å
321	S	96.4	Very high	96.9	Very high	85 Å²	85	32.1 Å²	32.1	59%	0.594	19%	0.194	S	C	*	.	H	α-helix	trans	-65.6	-24.6	176.3	-63.5	0	0	0	0	112.8	D317 G323	D317-S321 WeakPolarHBondContact O-CB 3.42Å; D317-S321 PolarHBondContact O-N 2.84Å; D317-S321 PolarHBondContact O-OG 3.29Å; D317-S321 PolarHBondContact OD1-OG 2.96Å; S321-G323 VanDerWaalsContact C-N 3.26Å; S321-G323 PolarHBondContact O-N 3.01Å
322	S	97.1	Very high	96.9	Very high	66 Å²	66	33.5 Å²	33.5	46%	0.462	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	3	173.5	-56	0	0	0	0	113.3	F318 L319 I320	F318-S322 WeakPolarHBondContact CE2-OG 3.34Å; F318-S322 VanDerWaalsContact O-CB 3.25Å; F318-S322 WeakPolarHBondContact O-CB 3.21Å; F318-S322 PolarHBondContact O-N 2.84Å; F318-S322 PolarHBondContact O-OG 3.48Å; L319-S322 PolarHBondContact O-N 3.04Å; I320-S322 PolarHBondContact O-N 2.89Å
323	G	97.2	Very high	96.9	Very high	44 Å²	44	33.5 Å²	33.5	45%	0.454	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	18.4	-178	0	0	0	0	0	114.4	L319 I320 S321	L319-G323 PolarHBondContact O-N 2.89Å; I320-G323 PolarHBondContact O-N 2.99Å; S321-G323 VanDerWaalsContact C-N 3.26Å; S321-G323 PolarHBondContact O-N 3.01Å
324	L	97.7	Very high	97.1	Very high	37 Å²	37	35 Å²	35	19%	0.194	20%	0.2	C	C	.	.			trans	-93.5	118.7	178.3	-50.1	175.5	0	0	0	109.5	L319 T326 L403	L319-L324 HydrophobicContact CB-CB 4.39Å; L319-L324 HydrophobicContact CD2-CB 4.45Å; L319-L324 HydrophobicContact CD2-CD1 3.6Å; L319-L324 VanDerWaalsContact O-CB 3.29Å; L319-L324 WeakPolarHBondContact O-CB 3.37Å; L319-L324 PolarHBondContact O-N 3.13Å; L324-T326 PolarHBondContact O-N 3.33Å; L324-T326 VanDerWaalsContact O-N 3.08Å; L324-L403 HydrophobicContact CD2-CD2 3.41Å; L324-L403 VanDerWaalsContact CD2-CD2 3.41Å
325	K	98	Very high	97.1	Very high	36 Å²	36	33.1 Å²	33.1	16%	0.157	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	96.7	-179.4	-174.7	179.1	-178.9	167.3	0	109.5	M327 L370 Y371 E375 S401 E402	K325-M327 HydrophobicContact CD-SD 3.82Å; K325-M327 WeakPolarHBondContact CE-SD 3.26Å; K325-M327 HydrophobicContact CG-CG 4.39Å; K325-M327 HydrophobicContact CG-SD 3.72Å; K325-M327 PolarHBondContact O-N 2.93Å; K325-L370 HydrophobicContact CB-CB 4.27Å; K325-L370 HydrophobicContact CB-CD2 4.18Å; K325-L370 WeakPolarHBondContact CD-O 3.28Å; K325-L370 WeakPolarHBondContact CE-O 3.38Å; K325-L370 HydrophobicContact CG-CB 4.2Å; K325-L370 PolarHBondContact NZ-O 3.29Å; K325-Y371 HydrophobicContact CG-CD1 4.44Å; K325-Y371 HydrophobicContact CG-CE1 3.92Å; K325-E375 WeakPolarHBondContact CE-OE1 3.26Å; K325-E375 VanDerWaalsContact NZ-CD 3.25Å; K325-E375 IonicContact NZ-OE1 3.29Å; K325-E375 PolarHBondContact NZ-OE1 2.95Å; K325-E375 IonicContact NZ-OE2 2.69Å; K325-E375 PolarHBondContact NZ-OE2 3.13Å; K325-E375 VanDerWaalsContact NZ-OE2 3.12Å; K325-S401 CarbonylContact O-C 3.59Å; K325-S401 WeakPolarHBondContact O-CA 3.15Å; K325-S401 WeakPolarHBondContact O-CB 3.23Å; K325-E402 HydrophobicContact CB-CB 4.28Å; K325-E402 PolarHBondContact N-O 2.73Å; K325-E402 PolarHBondContact O-N 3.27Å
326	T	97.5	Very high	97.1	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	121.9	177	-53.8	0	0	0	0	109.3	L319 L324 I329 Y371 S401	L319-T326 HydrophobicContact CD1-CG2 4.48Å; L324-T326 PolarHBondContact O-N 3.33Å; L324-T326 VanDerWaalsContact O-N 3.08Å; T326-I329 HydrophobicContact CG2-CD1 3.98Å; T326-I329 HydrophobicContact CG2-CG1 3.71Å; T326-Y371 WeakPolarHBondContact CA-OH 3.39Å; T326-Y371 WeakPolarHBondContact CB-OH 3.42Å; T326-Y371 PolarHBondContact N-OH 2.89Å; T326-Y371 WeakPolarHBondContact O-CE1 3.21Å; T326-Y371 PolarHBondContact O-OH 2.82Å; T326-S401 WeakPolarHBondContact CA-OG 3.17Å; T326-S401 PolarHBondContact OG1-OG 3.42Å
327	M	97.1	Very high	97.1	Very high	48 Å²	48	32.9 Å²	32.9	24%	0.236	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-25.3	-175.6	-67.7	-53.2	-73.8	0	0	113.6	K325 P377 D378 T400 E402	K325-M327 HydrophobicContact CD-SD 3.82Å; K325-M327 WeakPolarHBondContact CE-SD 3.26Å; K325-M327 HydrophobicContact CG-CG 4.39Å; K325-M327 HydrophobicContact CG-SD 3.72Å; K325-M327 PolarHBondContact O-N 2.93Å; M327-P377 CarbonylContact O-C 3.51Å; M327-P377 VanDerWaalsContact O-CA 3.23Å; M327-P377 WeakPolarHBondContact O-CA 3.49Å; M327-P377 WeakPolarHBondContact O-CB 3.45Å; M327-D378 PolarHBondContact O-N 3.38Å; M327-T400 PolarHBondContact N-O 3.13Å; M327-E402 HydrophobicContact CG-CB 4.44Å; M327-E402 HydrophobicContact CG-CG 3.71Å
328	S	98	Very high	97	Very high	29 Å²	29	33.4 Å²	33.4	20%	0.203	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	135.7	177.7	-168.2	0	0	0	0	111.3	D378 Y399 T400	S328-D378 CarbonylContact C-O 3.56Å; S328-D378 WeakPolarHBondContact CA-O 3.39Å; S328-Y399 WeakPolarHBondContact O-CA 3.43Å; S328-T400 PolarHBondContact N-O 3.44Å; S328-T400 PolarHBondContact O-N 3.45Å
329	I	98.1	Very high	96.8	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	111.4	174.8	-53.4	176.1	0	0	0	107.5	K312 V316 T326 V360 P377 D378 H379 C380 E398 Y399	K312-I329 HydrophobicContact CD-CG2 4.42Å; V316-I329 HydrophobicContact CG2-CD1 3.83Å; T326-I329 HydrophobicContact CG2-CD1 3.98Å; T326-I329 HydrophobicContact CG2-CG1 3.71Å; I329-V360 HydrophobicContact CD1-CG1 3.91Å; I329-P377 HydrophobicContact CD1-CG 4.26Å; I329-D378 PolarHBondContact N-O 2.75Å; I329-H379 WeakPolarHBondContact O-CA 3.34Å; I329-H379 PolarHBondContact O-CD2 3.08Å; I329-C380 PolarHBondContact O-N 3.1Å; I329-E398 WeakPolarHBondContact CA-O 3.39Å; I329-Y399 HydrophobicContact CB-CD1 4.49Å; I329-Y399 HydrophobicContact CD1-CD1 4.39Å; I329-Y399 HydrophobicContact CD1-CE1 4.36Å; I329-Y399 HydrophobicContact CG1-CD1 3.95Å; I329-Y399 HydrophobicContact CG1-CE1 4.23Å; I329-Y399 HydrophobicContact CG2-CD1 4.06Å; I329-Y399 HydrophobicContact CG2-CE1 3.68Å
330	V	98.1	Very high	96.5	Very high	57 Å²	57	30.1 Å²	30.1	35%	0.345	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	114.6	177.2	-176.6	0	0	0	0	108.8	C380 D397 E398	V330-C380 HydrophobicContact CG1-CB 4.48Å; V330-D397 CarbonylContact O-C 3.54Å; V330-D397 VanDerWaalsContact O-CA 3.25Å; V330-D397 WeakPolarHBondContact O-CA 3.25Å; V330-E398 PolarHBondContact N-O 3.02Å; V330-E398 PolarHBondContact O-N 2.85Å
331	S	97.6	Very high	96.4	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	94.6	-173.9	-69.7	0	0	0	0	111.6	K312 N333 C380 V381 V382 D397	K312-S331 WeakPolarHBondContact CE-OG 3.43Å; K312-S331 PolarHBondContact NZ-OG 3.47Å; S331-N333 PolarHBondContact O-ND2 3.01Å; S331-C380 PolarHBondContact N-O 3.15Å; S331-V381 WeakPolarHBondContact O-CA 3.3Å; S331-V382 PolarHBondContact O-N 3.49Å; S331-D397 WeakPolarHBondContact CA-OD1 3.2Å; S331-D397 VanDerWaalsContact CB-OD1 3.24Å; S331-D397 WeakPolarHBondContact CB-OD1 3.3Å; S331-D397 PolarHBondContact OG-OD1 3.34Å
332	Y	97.3	Very high	96.2	Very high	82 Å²	82	29 Å²	29	32%	0.322	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	144.2	174.7	178.9	-98.1	0	0	0	111.9	Q308 H334 V382 K384 A395 L396	Q308-Y332 PolarHBondContact NE2-O 2.92Å; Y332-H334 HydrophobicContact CE1-CB 4.43Å; Y332-H334 AromaticContact CE1-ND1 3.21Å; Y332-H334 WeakPolarHBondContact CE1-ND1 3.48Å; Y332-H334 AromaticContact CZ-ND1 3.91Å; Y332-V382 CarbonylContact C-O 3.58Å; Y332-V382 HydrophobicContact CD2-CB 3.76Å; Y332-V382 HydrophobicContact CD2-CG1 3.56Å; Y332-V382 HydrophobicContact CE2-CB 4.48Å; Y332-V382 HydrophobicContact CE2-CG1 3.79Å; Y332-K384 HydrophobicContact CE2-CG 3.95Å; Y332-A395 WeakPolarHBondContact O-CA 3.4Å; Y332-L396 HydrophobicContact CD1-CB 4.4Å; Y332-L396 HydrophobicContact CD1-CD1 3.8Å; Y332-L396 HydrophobicContact CE1-CD1 4.28Å; Y332-L396 PolarHBondContact N-O 3.04Å; Y332-L396 PolarHBondContact O-N 3.36Å
333	N	95.6	Very high	96.1	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	144	176.9	-57.6	-99.5	0	0	0	111.1	Q308 S331 K356 V382 I383 K384 K393 R394	Q308-N333 PolarHBondContact NE2-ND2 2.68Å; Q308-N333 PolarHBondContact NE2-OD1 2.9Å; Q308-N333 VanDerWaalsContact OE1-CG 3.26Å; Q308-N333 PolarHBondContact OE1-ND2 3.3Å; Q308-N333 PolarHBondContact OE1-OD1 3.19Å; S331-N333 PolarHBondContact O-ND2 3.01Å; N333-K356 PolarHBondContact ND2-NZ 2.97Å; N333-V382 WeakPolarHBondContact CB-O 3.39Å; N333-V382 PolarHBondContact N-O 2.86Å; N333-V382 PolarHBondContact ND2-O 3.14Å; N333-V382 VanDerWaalsContact ND2-O 3.16Å; N333-I383 HydrophobicContact CB-CG1 4.13Å; N333-I383 CarbonylContact O-C 3.6Å; N333-I383 VanDerWaalsContact O-CA 3.32Å; N333-I383 WeakPolarHBondContact O-CA 3.35Å; N333-K384 PolarHBondContact O-N 2.89Å; N333-K393 WeakPolarHBondContact OD1-CE 3.29Å; N333-K393 PolarHBondContact OD1-NZ 2.93Å; N333-R394 CarbonylContact C-O 3.58Å; N333-R394 VanDerWaalsContact CA-O 3.26Å; N333-R394 WeakPolarHBondContact CA-O 3.42Å
334	H	97.5	Very high	95.8	Very high	34 Å²	34	27.4 Å²	27.4	16%	0.157	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.9	160.6	59.1	-84.4	0	0	0	112.5	Y332 K384 V386 K393 R394	Y332-H334 HydrophobicContact CE1-CB 4.43Å; Y332-H334 AromaticContact CE1-ND1 3.21Å; Y332-H334 WeakPolarHBondContact CE1-ND1 3.48Å; Y332-H334 AromaticContact CZ-ND1 3.91Å; H334-K384 WeakPolarHBondContact CA-O 3.2Å; H334-K384 HydrophobicContact CB-CB 4.24Å; H334-K384 WeakPolarHBondContact CB-O 3.14Å; H334-V386 HydrophobicContact CB-CB 4.15Å; H334-V386 HydrophobicContact CB-CG2 3.65Å; H334-K393 WeakPolarHBondContact O-CA 3.45Å; H334-R394 WeakPolarHBondContact CE1-CB 3.36Å; H334-R394 PolarHBondContact N-O 3.34Å; H334-R394 WeakPolarHBondContact NE2-CB 3.37Å; H334-R394 WeakPolarHBondContact NE2-CG 3.45Å; H334-R394 PolarHBondContact O-N 2.83Å
335	L	97.3	Very high	95.5	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	155.5	-178.6	70.1	-178.6	0	0	0	110.3	N337 D339 I383 K384 Y385 V386 K393	L335-N337 WeakPolarHBondContact CD1-OD1 3.35Å; L335-D339 HydrophobicContact CD1-CB 4.49Å; L335-I383 HydrophobicContact CD2-CG2 3.76Å; L335-K384 PolarHBondContact N-O 3.39Å; L335-Y385 WeakPolarHBondContact O-CA 3.49Å; L335-Y385 WeakPolarHBondContact O-CD2 3.33Å; L335-V386 CarbonylContact C-O 3.55Å; L335-V386 PolarHBondContact O-N 3.46Å; L335-K393 HydrophobicContact CB-CB 3.88Å; L335-K393 HydrophobicContact CB-CG 4.18Å
336	G	96.6	Very high	95.2	Very high	11 Å²	11	30 Å²	30	11%	0.113	17%	0.171	C	C	.	.			trans	-118.5	3.6	-172.6	0	0	0	0	0	115	Y385 V386 G390	G336-Y385 WeakPolarHBondContact O-CE2 3.17Å; G336-V386 WeakPolarHBondContact CA-O 3.25Å; G336-V386 PolarHBondContact N-O 3.02Å; G336-G390 CarbonylContact C-O 3.58Å; G336-G390 WeakPolarHBondContact CA-O 3.48Å; G336-G390 PolarHBondContact N-O 3.24Å
337	N	95	Very high	94.9	Very high	14 Å²	14	34.7 Å²	34.7	8%	0.075	20%	0.196	C	C	.	.	S	Bend	trans	-80.3	179.5	175.6	65.6	7.6	0	0	0	112.2	L335 D339 G340 Q341 G390 D391	L335-N337 WeakPolarHBondContact CD1-OD1 3.35Å; N337-D339 PolarHBondContact O-N 2.86Å; N337-D339 PolarHBondContact OD1-N 3.33Å; N337-G340 PolarHBondContact O-N 3.3Å; N337-G340 VanDerWaalsContact O-N 3.16Å; N337-G340 PolarHBondContact OD1-N 3Å; N337-G340 VanDerWaalsContact OD1-N 3.1Å; N337-Q341 PolarHBondContact O-N 3.22Å; N337-G390 PolarHBondContact N-O 3.48Å; N337-D391 PolarHBondContact ND2-OD1 3.42Å
338	N	93.8	Very high	94.7	Very high	38 Å²	38	32.9 Å²	32.9	20%	0.203	19%	0.187	C	C	.	.	H	α-helix	trans	-62.8	-27.2	-179.1	-169	55.9	0	0	0	113.3	Q188 N230 Q341 N342	Q188-N338 PolarHBondContact NE2-OD1 3.27Å; Q188-N338 PolarHBondContact OE1-ND2 3.27Å; Q188-N338 PolarHBondContact OE1-OD1 2.93Å; N230-N338 PolarHBondContact ND2-ND2 3.13Å; N230-N338 VanDerWaalsContact ND2-ND2 3.12Å; N338-Q341 PolarHBondContact O-N 3.03Å; N338-N342 WeakPolarHBondContact O-CB 3.46Å; N338-N342 PolarHBondContact O-N 3.2Å
339	D	92	Very high	94.4	Very high	41 Å²	41	33.4 Å²	33.4	22%	0.219	19%	0.186	C	C	.	.	H	α-helix	trans	-64.6	-50	173.6	-173.8	44.3	0	0	0	110.2	L335 N337 Q341 N342 L343	L335-D339 HydrophobicContact CD1-CB 4.49Å; N337-D339 PolarHBondContact O-N 2.86Å; N337-D339 PolarHBondContact OD1-N 3.33Å; D339-Q341 VanDerWaalsContact C-N 3.28Å; D339-Q341 PolarHBondContact O-N 2.95Å; D339-N342 PolarHBondContact O-N 2.89Å; D339-N342 VanDerWaalsContact O-N 3.14Å; D339-L343 WeakPolarHBondContact O-CB 3.37Å; D339-L343 VanDerWaalsContact O-CG 3.24Å; D339-L343 WeakPolarHBondContact O-CG 3.22Å; D339-L343 PolarHBondContact O-N 2.95Å; D339-L343 WeakPolarHBondContact OD2-CD1 3.38Å
340	G	92.6	Very high	94.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56.2	-41.2	173.6	0	0	0	0	0	113.3	N337 L343 S344 Y385	N337-G340 PolarHBondContact O-N 3.3Å; N337-G340 VanDerWaalsContact O-N 3.16Å; N337-G340 PolarHBondContact OD1-N 3Å; N337-G340 VanDerWaalsContact OD1-N 3.1Å; G340-L343 PolarHBondContact O-N 2.88Å; G340-S344 PolarHBondContact O-N 2.93Å; G340-Y385 VanDerWaalsContact C-CD2 3.46Å
341	Q	93.6	Very high	93.6	Very high	65 Å²	65	38.5 Å²	38.5	30%	0.304	20%	0.199	S	C	.	.	H	α-helix	trans	-65.4	-40.4	177.7	-167.7	177.2	14.6	0	0	112.1	N187 N337 N338 D339 S344 Y385	N187-Q341 PolarHBondContact ND2-O 3.43Å; N337-Q341 PolarHBondContact O-N 3.22Å; N338-Q341 PolarHBondContact O-N 3.03Å; D339-Q341 VanDerWaalsContact C-N 3.28Å; D339-Q341 PolarHBondContact O-N 2.95Å; Q341-S344 PolarHBondContact O-N 3.05Å; Q341-S344 PolarHBondContact O-OG 3.26Å; Q341-Y385 HydrophobicContact CB-CD2 4.11Å; Q341-Y385 HydrophobicContact CB-CE1 4.33Å; Q341-Y385 HydrophobicContact CB-CE2 3.73Å; Q341-Y385 HydrophobicContact CG-CE1 4.14Å; Q341-Y385 HydrophobicContact CG-CE2 4.4Å; Q341-Y385 VanDerWaalsContact N-CD2 3.34Å
342	N	93.2	Very high	93.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-69.6	-38.4	176.1	-178.9	78.8	0	0	0	111.9	A185 N230 T231 N338 D339 S344 A345	A185-N342 HydrophobicContact CB-CB 4.47Å; A185-N342 WeakPolarHBondContact CB-O 3.26Å; A185-N342 WeakPolarHBondContact CB-OD1 3.46Å; A185-N342 PolarHBondContact N-OD1 2.79Å; A185-N342 VanDerWaalsContact N-OD1 3.09Å; N230-N342 WeakPolarHBondContact ND2-CB 3.21Å; T231-N342 PolarHBondContact N-ND2 3.23Å; T231-N342 PolarHBondContact O-ND2 3.04Å; N338-N342 WeakPolarHBondContact O-CB 3.46Å; N338-N342 PolarHBondContact O-N 3.2Å; D339-N342 PolarHBondContact O-N 2.89Å; D339-N342 VanDerWaalsContact O-N 3.14Å; N342-S344 PolarHBondContact O-N 2.94Å; N342-A345 PolarHBondContact O-N 2.64Å
343	L	93.4	Very high	92.8	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.037	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-3.1	178.4	-65.2	173.6	0	0	0	113.7	T231 D339 G340 A345 Q348 K352 I383	T231-L343 HydrophobicContact CG2-CD2 4.01Å; D339-L343 WeakPolarHBondContact O-CB 3.37Å; D339-L343 VanDerWaalsContact O-CG 3.24Å; D339-L343 WeakPolarHBondContact O-CG 3.22Å; D339-L343 PolarHBondContact O-N 2.95Å; D339-L343 WeakPolarHBondContact OD2-CD1 3.38Å; G340-L343 PolarHBondContact O-N 2.88Å; L343-A345 PolarHBondContact O-N 3.41Å; L343-Q348 HydrophobicContact CD2-CB 4.46Å; L343-K352 HydrophobicContact CD1-CG 4.45Å; L343-K352 HydrophobicContact CD2-CB 4.07Å; L343-I383 HydrophobicContact CD1-CD1 4.35Å; L343-I383 HydrophobicContact CD1-CG2 4.42Å
344	S	91.1	Very high	92.4	Very high	69 Å²	69	42.1 Å²	42.1	48%	0.483	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-17.3	171.5	78.6	0	0	0	0	112.6	G340 Q341 N342	G340-S344 PolarHBondContact O-N 2.93Å; Q341-S344 PolarHBondContact O-N 3.05Å; Q341-S344 PolarHBondContact O-OG 3.26Å; N342-S344 PolarHBondContact O-N 2.94Å
345	A	92.3	Very high	91.6	Very high	20 Å²	20	40.8 Å²	40.8	17%	0.165	22%	0.217	C	C	.	.	S	Bend	trans	-85.3	132.3	176.8	0	0	0	0	0	111	A185 N342 L343 L347 Q348 F349	A185-A345 HydrophobicContact CB-CB 3.84Å; N342-A345 PolarHBondContact O-N 2.64Å; L343-A345 PolarHBondContact O-N 3.41Å; A345-L347 PolarHBondContact O-N 3.45Å; A345-Q348 PolarHBondContact O-N 2.94Å; A345-F349 PolarHBondContact O-N 3.27Å
346	P	92.1	Very high	91.2	Very high	107 Å²	107	41.1 Å²	41.1	70%	0.695	22%	0.219	S	C	*	.	H	α-helix	trans	-58.4	-38	-171.6	-28.5	35.1	0	0	0	115.4	F349 R350	P346-F349 PolarHBondContact O-N 2.95Å; P346-R350 WeakPolarHBondContact O-CB 3.15Å; P346-R350 PolarHBondContact O-N 3.37Å
347	L	90.6	Very high	90.8	Very high	101 Å²	101	42.1 Å²	42.1	53%	0.529	22%	0.224	S	C	.	.	H	α-helix	trans	-69.9	-37.4	-177.5	-65.5	178.1	0	0	0	112.2	R233 A345 S351	R233-L347 HydrophobicContact CB-CB 3.91Å; A345-L347 PolarHBondContact O-N 3.45Å; L347-S351 PolarHBondContact O-OG 3.42Å
348	Q	92.3	Very high	90.4	Very high	10 Å²	10	43 Å²	43	5%	0.047	23%	0.231	C	C	.	.	H	α-helix	trans	-73.7	-37.4	175.1	-70.2	70.5	25.9	0	0	111.1	F183 I184 T231 L343 A345 S351	F183-Q348 PolarHBondContact O-NE2 3.04Å; I184-Q348 VanDerWaalsContact C-NE2 3.27Å; I184-Q348 PolarHBondContact O-NE2 2.92Å; T231-Q348 HydrophobicContact CG2-CB 4.44Å; T231-Q348 VanDerWaalsContact O-CG 3.26Å; T231-Q348 WeakPolarHBondContact O-CG 3.49Å; L343-Q348 HydrophobicContact CD2-CB 4.46Å; A345-Q348 PolarHBondContact O-N 2.94Å; Q348-S351 WeakPolarHBondContact O-CB 3.44Å; Q348-S351 PolarHBondContact O-N 3.23Å
349	F	92.3	Very high	90.1	Very high	40 Å²	40	41.3 Å²	41.3	18%	0.175	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-45.2	172.6	173.6	-106.4	0	0	0	111.8	A345 P346 S351 K352 E353 V381 I383	A345-F349 PolarHBondContact O-N 3.27Å; P346-F349 PolarHBondContact O-N 2.95Å; F349-S351 PolarHBondContact O-N 2.87Å; F349-K352 CarbonylContact O-C 3.48Å; F349-K352 WeakPolarHBondContact O-CA 3.41Å; F349-K352 WeakPolarHBondContact O-CB 2.97Å; F349-K352 PolarHBondContact O-N 3.2Å; F349-E353 HydrophobicContact CE1-CB 4.05Å; F349-E353 HydrophobicContact CE1-CG 4.27Å; F349-E353 HydrophobicContact CZ-CB 4.11Å; F349-E353 HydrophobicContact CZ-CG 4.34Å; F349-E353 PolarHBondContact O-N 3.43Å; F349-V381 WeakPolarHBondContact CZ-O 3.42Å; F349-I383 HydrophobicContact CD2-CB 3.97Å; F349-I383 HydrophobicContact CD2-CD1 4.08Å; F349-I383 HydrophobicContact CD2-CG1 4.26Å; F349-I383 HydrophobicContact CE2-CB 3.75Å; F349-I383 HydrophobicContact CE2-CD1 3.9Å; F349-I383 HydrophobicContact CE2-CG1 3.78Å
350	R	91.6	Very high	90.1	Very high	165 Å²	165	39.6 Å²	39.6	62%	0.623	21%	0.213	S	C	*	.	H	α-helix	trans	-54.4	-38.6	179.6	-174.2	175.9	-178	169.7	0.5	112.2	P346 K352 E353 V354	P346-R350 WeakPolarHBondContact O-CB 3.15Å; P346-R350 PolarHBondContact O-N 3.37Å; R350-K352 VanDerWaalsContact C-N 3.32Å; R350-K352 PolarHBondContact O-N 3.24Å; R350-E353 PolarHBondContact O-N 2.74Å; R350-V354 WeakPolarHBondContact O-CG2 3.32Å; R350-V354 PolarHBondContact O-N 2.84Å; R350-V354 VanDerWaalsContact O-N 3.14Å
351	S	87.4	Confident	90.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.1	-46.8	175.4	-51.4	0	0	0	0	111.8	E232 F234 P280 L347 Q348 F349 T355	E232-S351 PolarHBondContact O-OG 2.58Å; F234-S351 VanDerWaalsContact CD2-OG 3.3Å; F234-S351 WeakPolarHBondContact CD2-OG 3.3Å; F234-S351 VanDerWaalsContact CE2-CA 3.44Å; P280-S351 WeakPolarHBondContact CB-O 3.39Å; L347-S351 PolarHBondContact O-OG 3.42Å; Q348-S351 WeakPolarHBondContact O-CB 3.44Å; Q348-S351 PolarHBondContact O-N 3.23Å; F349-S351 PolarHBondContact O-N 2.87Å; S351-T355 PolarHBondContact O-OG1 2.82Å
352	K	89.4	Confident	90	Very high	13 Å²	13	41.4 Å²	41.4	6%	0.057	23%	0.225	C	C	.	.	H	α-helix	trans	-73.2	-31.9	-179	-163.1	71.2	69.1	173	0	112.4	P280 D303 L343 F349 R350 T355 K356 I383	P280-K352 HydrophobicContact CB-CD 4.47Å; P280-K352 HydrophobicContact CG-CB 4.3Å; P280-K352 HydrophobicContact CG-CD 4.04Å; D303-K352 IonicContact OD1-NZ 3.52Å; D303-K352 PolarHBondContact OD1-NZ 3.15Å; D303-K352 WeakPolarHBondContact OD2-CD 3.22Å; D303-K352 IonicContact OD2-NZ 2.77Å; D303-K352 PolarHBondContact OD2-NZ 3.16Å; L343-K352 HydrophobicContact CD1-CG 4.45Å; L343-K352 HydrophobicContact CD2-CB 4.07Å; F349-K352 CarbonylContact O-C 3.48Å; F349-K352 WeakPolarHBondContact O-CA 3.41Å; F349-K352 WeakPolarHBondContact O-CB 2.97Å; F349-K352 PolarHBondContact O-N 3.2Å; R350-K352 VanDerWaalsContact C-N 3.32Å; R350-K352 PolarHBondContact O-N 3.24Å; K352-T355 PolarHBondContact O-OG1 2.93Å; K352-K356 HydrophobicContact CG-CD 4.2Å; K352-K356 VanDerWaalsContact O-CB 3.31Å; K352-K356 WeakPolarHBondContact O-CB 3.26Å; K352-K356 VanDerWaalsContact O-CG 3.26Å; K352-K356 WeakPolarHBondContact O-CG 3.28Å; K352-K356 PolarHBondContact O-N 3.49Å; K352-I383 HydrophobicContact CB-CD1 4.14Å; K352-I383 HydrophobicContact CG-CD1 3.55Å
353	E	89.6	Confident	90	Very high	72 Å²	72	41.9 Å²	41.9	34%	0.336	23%	0.227	S	C	.	.	H	α-helix	trans	-62.4	-53.1	176.2	-177.7	176.7	-138.7	0	0	110.7	F349 R350 T355 K356 S357	F349-E353 HydrophobicContact CE1-CB 4.05Å; F349-E353 HydrophobicContact CE1-CG 4.27Å; F349-E353 HydrophobicContact CZ-CB 4.11Å; F349-E353 HydrophobicContact CZ-CG 4.34Å; F349-E353 PolarHBondContact O-N 3.43Å; R350-E353 PolarHBondContact O-N 2.74Å; E353-T355 PolarHBondContact O-N 3.4Å; E353-K356 PolarHBondContact O-N 3.39Å; E353-K356 VanDerWaalsContact O-N 3.16Å; E353-S357 PolarHBondContact O-N 3.23Å; E353-S357 PolarHBondContact O-OG 3.05Å; E353-S357 VanDerWaalsContact O-OG 3.11Å
354	V	86.9	Confident	90.1	Very high	74 Å²	74	42.1 Å²	42.1	45%	0.448	23%	0.229	S	C	.	.	H	α-helix	trans	-55.4	-50.7	-178.8	172.3	0	0	0	0	111.8	R350 K356 S357 S358	R350-V354 WeakPolarHBondContact O-CG2 3.32Å; R350-V354 PolarHBondContact O-N 2.84Å; R350-V354 VanDerWaalsContact O-N 3.14Å; V354-K356 VanDerWaalsContact C-N 3.3Å; V354-K356 PolarHBondContact O-N 3.38Å; V354-S357 PolarHBondContact O-N 3.45Å; V354-S358 PolarHBondContact O-N 3.22Å
355	T	81.6	Confident	90.2	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.037	24%	0.241	C	C	.	.	H	α-helix	trans	-69.4	-24.3	-177.7	54.4	0	0	0	0	113.8	P280 S351 K352 E353 A466	P280-T355 HydrophobicContact CB-CG2 3.69Å; P280-T355 WeakPolarHBondContact CB-OG1 3.36Å; S351-T355 PolarHBondContact O-OG1 2.82Å; K352-T355 PolarHBondContact O-OG1 2.93Å; E353-T355 PolarHBondContact O-N 3.4Å; T355-A466 HydrophobicContact CG2-CB 3.63Å
356	K	87.9	Confident	90.2	Very high	10 Å²	10	48.8 Å²	48.8	4%	0.043	26%	0.257	C	S	.	.	H	α-helix	trans	-84	-21.5	175.3	-79.1	-175.2	171.5	-168.7	0	113.5	K312 N333 K352 E353 V354 V359 V381 I383 K465	K312-K356 PolarHBondContact NZ-O 3.01Å; N333-K356 PolarHBondContact ND2-NZ 2.97Å; K352-K356 HydrophobicContact CG-CD 4.2Å; K352-K356 VanDerWaalsContact O-CB 3.31Å; K352-K356 WeakPolarHBondContact O-CB 3.26Å; K352-K356 VanDerWaalsContact O-CG 3.26Å; K352-K356 WeakPolarHBondContact O-CG 3.28Å; K352-K356 PolarHBondContact O-N 3.49Å; E353-K356 PolarHBondContact O-N 3.39Å; E353-K356 VanDerWaalsContact O-N 3.16Å; V354-K356 VanDerWaalsContact C-N 3.3Å; V354-K356 PolarHBondContact O-N 3.38Å; K356-V359 WeakPolarHBondContact O-CG2 3.06Å; K356-V381 HydrophobicContact CB-CG1 4.01Å; K356-V381 HydrophobicContact CB-CG2 4.06Å; K356-V381 HydrophobicContact CD-CG1 3.65Å; K356-I383 HydrophobicContact CD-CD1 4.39Å; K356-K465 HydrophobicContact CG-CD 4.11Å
357	S	87.5	Confident	90.4	Very high	32 Å²	32	45.2 Å²	45.2	22%	0.224	23%	0.232	C	C	.	.	H	α-helix	trans	-85.4	-40.2	179.9	-61.8	0	0	0	0	112.2	E353 V354 V359 H379	E353-S357 PolarHBondContact O-N 3.23Å; E353-S357 PolarHBondContact O-OG 3.05Å; E353-S357 VanDerWaalsContact O-OG 3.11Å; V354-S357 PolarHBondContact O-N 3.45Å; S357-V359 PolarHBondContact O-N 3Å; S357-H379 VanDerWaalsContact CA-CE1 3.5Å; S357-H379 WeakPolarHBondContact CA-CE1 3.4Å; S357-H379 WeakPolarHBondContact CA-ND1 3.24Å; S357-H379 PolarHBondContact O-CE1 3.35Å; S357-H379 PolarHBondContact O-ND1 2.53Å
358	S	87.2	Confident	90.7	Very high	32 Å²	32	48 Å²	48	22%	0.224	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-67	-6.4	-173.7	65.5	0	0	0	0	116.4	V354 V360 D361 N477	V354-S358 PolarHBondContact O-N 3.22Å; S358-V360 PolarHBondContact O-N 2.86Å; S358-D361 WeakPolarHBondContact CA-OD2 3.37Å; S358-N477 PolarHBondContact O-ND2 3.32Å
359	V	88.5	Confident	90.9	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.018	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-76.6	-4.2	-170.3	-62	0	0	0	0	114.3	T309 K312 K356 S357 K465 N477	T309-V359 HydrophobicContact CG2-CB 4.35Å; T309-V359 HydrophobicContact CG2-CG1 3.69Å; T309-V359 HydrophobicContact CG2-CG2 4.2Å; K312-V359 HydrophobicContact CD-CG2 3.64Å; K312-V359 HydrophobicContact CG-CG2 4.24Å; K356-V359 WeakPolarHBondContact O-CG2 3.06Å; S357-V359 PolarHBondContact O-N 3Å; V359-K465 WeakPolarHBondContact CG1-O 2.9Å; V359-N477 HydrophobicContact CB-CB 4.37Å; V359-N477 VanDerWaalsContact O-CB 3.26Å; V359-N477 WeakPolarHBondContact O-CB 3.39Å
360	V	91.8	Very high	91.1	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.03	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-108.9	-13.7	-177.9	-55.4	0	0	0	0	112.7	K312 V316 I329 S358 D362 M363 V364	K312-V360 HydrophobicContact CD-CG1 4.2Å; K312-V360 HydrophobicContact CG-CG1 4.41Å; V316-V360 HydrophobicContact CB-CG1 4.41Å; V316-V360 HydrophobicContact CG1-CB 4.19Å; V316-V360 HydrophobicContact CG1-CG1 4.17Å; V316-V360 HydrophobicContact CG2-CG1 3.86Å; I329-V360 HydrophobicContact CD1-CG1 3.91Å; S358-V360 PolarHBondContact O-N 2.86Å; V360-D362 PolarHBondContact O-N 2.9Å; V360-M363 PolarHBondContact O-N 3.23Å; V360-V364 WeakPolarHBondContact O-CG2 3.43Å; V360-V364 PolarHBondContact O-N 3.03Å; V360-V364 VanDerWaalsContact O-N 3.09Å
361	D	90.9	Very high	91.4	Very high	79 Å²	79	46.3 Å²	46.3	42%	0.422	25%	0.245	S	C	.	.	H	α-helix	trans	-61.8	-45.3	-167.3	-62.3	-14.2	0	0	0	112.4	S358 M363 V364 Q365	S358-D361 WeakPolarHBondContact CA-OD2 3.37Å; D361-M363 VanDerWaalsContact C-N 3.34Å; D361-M363 PolarHBondContact O-N 3.23Å; D361-V364 PolarHBondContact O-N 3.4Å; D361-Q365 WeakPolarHBondContact O-CB 3.17Å; D361-Q365 WeakPolarHBondContact O-CG 3.44Å; D361-Q365 PolarHBondContact O-N 2.68Å
362	D	92.2	Very high	91.8	Very high	24 Å²	24	48.9 Å²	48.9	13%	0.128	27%	0.267	C	S	.	.	H	α-helix	trans	-66.5	-35.6	-179	60.8	-54.3	0	0	0	112.3	V360 S366 N477	V360-D362 PolarHBondContact O-N 2.9Å; D362-S366 WeakPolarHBondContact O-CB 3.31Å; D362-S366 PolarHBondContact O-N 2.86Å; D362-N477 VanDerWaalsContact OD1-CB 3.28Å; D362-N477 WeakPolarHBondContact OD1-CB 3.41Å; D362-N477 PolarHBondContact OD1-ND2 3.09Å; D362-N477 PolarHBondContact OD2-N 2.62Å
363	M	94.3	Very high	92	Very high	10 Å²	10	55 Å²	55	5%	0.049	31%	0.308	C	S	.	.	H	α-helix	trans	-71.2	-41.9	177.6	-73.1	-51.5	-55.2	0	0	112.1	V316 D317 I320 V360 D361 S366 A478	V316-M363 HydrophobicContact CG1-CB 4.05Å; V316-M363 HydrophobicContact CG1-CG 4.5Å; D317-M363 HydrophobicContact CB-CE 4.46Å; D317-M363 HydrophobicContact CB-SD 4.48Å; D317-M363 VanDerWaalsContact OD1-CE 3.22Å; D317-M363 WeakPolarHBondContact OD1-CE 3.11Å; I320-M363 HydrophobicContact CB-CE 4.32Å; I320-M363 HydrophobicContact CD1-CB 3.8Å; I320-M363 HydrophobicContact CG2-CE 4.14Å; V360-M363 PolarHBondContact O-N 3.23Å; D361-M363 VanDerWaalsContact C-N 3.34Å; D361-M363 PolarHBondContact O-N 3.23Å; M363-S366 PolarHBondContact O-N 3.46Å; M363-S366 PolarHBondContact O-OG 3.24Å; M363-A478 HydrophobicContact CG-CB 4.47Å; M363-A478 HydrophobicContact SD-CB 3.88Å
364	V	94.2	Very high	92	Very high	12 Å²	12	55.7 Å²	55.7	7%	0.073	33%	0.334	C	S	.	.	H	α-helix	trans	-60.9	-47.9	174.6	172.3	0	0	0	0	110.3	I320 V360 D361 S366 N367 Y371 E375 P377	I320-V364 HydrophobicContact CD1-CG2 4.29Å; V360-V364 WeakPolarHBondContact O-CG2 3.43Å; V360-V364 PolarHBondContact O-N 3.03Å; V360-V364 VanDerWaalsContact O-N 3.09Å; D361-V364 PolarHBondContact O-N 3.4Å; V364-S366 PolarHBondContact O-N 3.26Å; V364-N367 PolarHBondContact O-N 2.81Å; V364-Y371 HydrophobicContact CB-CD2 4.38Å; V364-Y371 HydrophobicContact CB-CE2 4.45Å; V364-Y371 HydrophobicContact CG1-CD1 4Å; V364-Y371 HydrophobicContact CG1-CD2 3.89Å; V364-Y371 HydrophobicContact CG1-CE1 4.4Å; V364-Y371 HydrophobicContact CG1-CE2 4.3Å; V364-Y371 HydrophobicContact CG1-CG 3.72Å; V364-Y371 HydrophobicContact CG2-CE2 4.3Å; V364-E375 WeakPolarHBondContact CG1-O 3.39Å; V364-P377 HydrophobicContact CG2-CG 4.34Å
365	Q	93.4	Very high	92.4	Very high	159 Å²	159	55 Å²	55	74%	0.743	33%	0.326	S	S	*	.	H	α-helix	trans	-63.4	-27.5	178.6	-70.9	172	16.8	0	0	113.4	D361 N367	D361-Q365 WeakPolarHBondContact O-CB 3.17Å; D361-Q365 WeakPolarHBondContact O-CG 3.44Å; D361-Q365 PolarHBondContact O-N 2.68Å; Q365-N367 PolarHBondContact O-N 3.34Å
366	S	93.3	Very high	93	Very high	70 Å²	70	57.9 Å²	57.9	49%	0.49	35%	0.35	S	S	.	.	H	α-helix	trans	-69	-20.4	-178.9	77.9	0	0	0	0	113.9	D362 M363 V364	D362-S366 WeakPolarHBondContact O-CB 3.31Å; D362-S366 PolarHBondContact O-N 2.86Å; M363-S366 PolarHBondContact O-N 3.46Å; M363-S366 PolarHBondContact O-OG 3.24Å; V364-S366 PolarHBondContact O-N 3.26Å
367	N	96.2	Very high	93.4	Very high	33 Å²	33	58 Å²	58	18%	0.176	35%	0.352	C	S	.	.			trans	-125.4	81.2	-170.7	-162.7	-26.9	0	0	0	113	I320 V364 Q365 I369 L370 Y371	I320-N367 HydrophobicContact CG2-CB 3.87Å; V364-N367 PolarHBondContact O-N 2.81Å; Q365-N367 PolarHBondContact O-N 3.34Å; N367-I369 PolarHBondContact O-N 3.36Å; N367-I369 WeakPolarHBondContact OD1-CB 3.34Å; N367-I369 PolarHBondContact OD1-N 3.29Å; N367-L370 WeakPolarHBondContact ND2-CD1 3.42Å; N367-L370 PolarHBondContact O-N 2.72Å; N367-L370 PolarHBondContact OD1-N 3.26Å; N367-Y371 PolarHBondContact O-N 3.36Å
368	H	95.5	Very high	93.8	Very high	158 Å²	158	62.5 Å²	62.5	73%	0.731	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-7.6	176.8	68	-81	0	0	0	114.9	Y371	H368-Y371 CarbonylContact C-O 3.43Å; H368-Y371 WeakPolarHBondContact CA-O 3.5Å
369	I	97.3	Very high	94.2	Very high	142 Å²	142	63.3 Å²	63.3	73%	0.728	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-41.5	173.9	-60.5	173.8	0	0	0	109.5	N367	N367-I369 PolarHBondContact O-N 3.36Å; N367-I369 WeakPolarHBondContact OD1-CB 3.34Å; N367-I369 PolarHBondContact OD1-N 3.29Å
370	L	97.3	Very high	94.6	Very high	29 Å²	29	66.1 Å²	66.1	15%	0.152	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-40.7	178.5	-60.8	-179.5	0	0	0	111.5	I320 K325 N367	I320-L370 HydrophobicContact CG2-CD1 4.3Å; K325-L370 HydrophobicContact CB-CB 4.27Å; K325-L370 HydrophobicContact CB-CD2 4.18Å; K325-L370 WeakPolarHBondContact CD-O 3.28Å; K325-L370 WeakPolarHBondContact CE-O 3.38Å; K325-L370 HydrophobicContact CG-CB 4.2Å; K325-L370 PolarHBondContact NZ-O 3.29Å; N367-L370 WeakPolarHBondContact ND2-CD1 3.42Å; N367-L370 PolarHBondContact O-N 2.72Å; N367-L370 PolarHBondContact OD1-N 3.26Å
371	Y	97.4	Very high	94.8	Very high	9 Å²	9	66.2 Å²	66.2	4%	0.035	39%	0.393	C	S	.	.	S	Bend	trans	-117	127.1	-172.9	-57.8	-78.7	0	0	0	112	I320 K325 T326 V364 N367 H368 E375	I320-Y371 HydrophobicContact CD1-CE2 3.95Å; I320-Y371 HydrophobicContact CG1-CE2 4.16Å; K325-Y371 HydrophobicContact CG-CD1 4.44Å; K325-Y371 HydrophobicContact CG-CE1 3.92Å; T326-Y371 WeakPolarHBondContact CA-OH 3.39Å; T326-Y371 WeakPolarHBondContact CB-OH 3.42Å; T326-Y371 PolarHBondContact N-OH 2.89Å; T326-Y371 WeakPolarHBondContact O-CE1 3.21Å; T326-Y371 PolarHBondContact O-OH 2.82Å; V364-Y371 HydrophobicContact CB-CD2 4.38Å; V364-Y371 HydrophobicContact CB-CE2 4.45Å; V364-Y371 HydrophobicContact CG1-CD1 4Å; V364-Y371 HydrophobicContact CG1-CD2 3.89Å; V364-Y371 HydrophobicContact CG1-CE1 4.4Å; V364-Y371 HydrophobicContact CG1-CE2 4.3Å; V364-Y371 HydrophobicContact CG1-CG 3.72Å; V364-Y371 HydrophobicContact CG2-CE2 4.3Å; N367-Y371 PolarHBondContact O-N 3.36Å; H368-Y371 CarbonylContact C-O 3.43Å; H368-Y371 WeakPolarHBondContact CA-O 3.5Å; Y371-E375 WeakPolarHBondContact CA-OE2 3.4Å; Y371-E375 HydrophobicContact CD1-CG 4.25Å
372	A	96.1	Very high	95	Very high	55 Å²	55	64.4 Å²	64.4	46%	0.455	39%	0.385	S	S	.	.			trans	-68	159.9	169.1	0	0	0	0	0	111.2	G374 E375	A372-G374 PolarHBondContact O-N 2.81Å; A372-G374 VanDerWaalsContact O-N 3.11Å; A372-E375 HydrophobicContact CB-CB 4.2Å; A372-E375 PolarHBondContact N-OE2 3.11Å; A372-E375 VanDerWaalsContact O-CB 3.23Å; A372-E375 WeakPolarHBondContact O-CB 3.42Å; A372-E375 PolarHBondContact O-N 3.48Å
373	P	92.6	Very high	95.1	Very high	141 Å²	141	64 Å²	64	92%	0.916	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	120.2	175.2	-26.3	35.3	0	0	0	112.2	E375	P373-E375 VanDerWaalsContact C-N 3.31Å
374	G	90.1	Very high	95.3	Very high	86 Å²	86	69.2 Å²	69.2	89%	0.887	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	-1.5	-178	0	0	0	0	0	115.1	A372	A372-G374 PolarHBondContact O-N 2.81Å; A372-G374 VanDerWaalsContact O-N 3.11Å
375	E	94.8	Very high	95.4	Very high	60 Å²	60	72.4 Å²	72.4	28%	0.28	42%	0.417	S	S	.	.			trans	-75.7	135.8	171.2	-169.9	177.9	-167.8	0	0	110.3	K325 V364 Y371 A372 P373	K325-E375 WeakPolarHBondContact CE-OE1 3.26Å; K325-E375 VanDerWaalsContact NZ-CD 3.25Å; K325-E375 IonicContact NZ-OE1 3.29Å; K325-E375 PolarHBondContact NZ-OE1 2.95Å; K325-E375 IonicContact NZ-OE2 2.69Å; K325-E375 PolarHBondContact NZ-OE2 3.13Å; K325-E375 VanDerWaalsContact NZ-OE2 3.12Å; V364-E375 WeakPolarHBondContact CG1-O 3.39Å; Y371-E375 WeakPolarHBondContact CA-OE2 3.4Å; Y371-E375 HydrophobicContact CD1-CG 4.25Å; A372-E375 HydrophobicContact CB-CB 4.2Å; A372-E375 PolarHBondContact N-OE2 3.11Å; A372-E375 VanDerWaalsContact O-CB 3.23Å; A372-E375 WeakPolarHBondContact O-CB 3.42Å; A372-E375 PolarHBondContact O-N 3.48Å; P373-E375 VanDerWaalsContact C-N 3.31Å
376	A	94.3	Very high	95.7	Very high	66 Å²	66	67.2 Å²	67.2	55%	0.545	40%	0.396	S	S	.	.			trans	-145.4	153.5	177.4	0	0	0	0	0	109.5
377	P	95.8	Very high	95.8	Very high	14 Å²	14	67.7 Å²	67.7	9%	0.091	40%	0.397	C	S	.	.			trans	-64.9	152.4	171.7	27	-33.4	0	0	0	111.3	M327 I329 V364 H379	M327-P377 CarbonylContact O-C 3.51Å; M327-P377 VanDerWaalsContact O-CA 3.23Å; M327-P377 WeakPolarHBondContact O-CA 3.49Å; M327-P377 WeakPolarHBondContact O-CB 3.45Å; I329-P377 HydrophobicContact CD1-CG 4.26Å; V364-P377 HydrophobicContact CG2-CG 4.34Å; P377-H379 PolarHBondContact O-N 3.22Å
378	D	96.8	Very high	95.9	Very high	125 Å²	125	76.6 Å²	76.6	67%	0.668	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.1	122.9	161.9	-75.4	-21.8	0	0	0	108.7	M327 S328 I329	M327-D378 PolarHBondContact O-N 3.38Å; S328-D378 CarbonylContact C-O 3.56Å; S328-D378 WeakPolarHBondContact CA-O 3.39Å; I329-D378 PolarHBondContact N-O 2.75Å
379	H	95.9	Very high	96	Very high	50 Å²	50	70.4 Å²	70.4	23%	0.231	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	114.2	-178.7	-165.8	-172.4	0	0	0	111.7	K312 I329 S357 P377	K312-H379 PolarHBondContact NZ-NE2 2.77Å; K312-H379 VanDerWaalsContact NZ-NE2 3.12Å; I329-H379 WeakPolarHBondContact O-CA 3.34Å; I329-H379 PolarHBondContact O-CD2 3.08Å; S357-H379 VanDerWaalsContact CA-CE1 3.5Å; S357-H379 WeakPolarHBondContact CA-CE1 3.4Å; S357-H379 WeakPolarHBondContact CA-ND1 3.24Å; S357-H379 PolarHBondContact O-CE1 3.35Å; S357-H379 PolarHBondContact O-ND1 2.53Å; P377-H379 PolarHBondContact O-N 3.22Å
380	C	96.4	Very high	96	Very high	62 Å²	62	64.5 Å²	64.5	42%	0.419	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.1	179.5	-178.5	0	0	0	0	110.7	I329 V330 S331	I329-C380 PolarHBondContact O-N 3.1Å; V330-C380 HydrophobicContact CG1-CB 4.48Å; S331-C380 PolarHBondContact N-O 3.15Å
381	V	95.8	Very high	96	Very high	6 Å²	6	63.5 Å²	63.5	4%	0.036	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.9	176.5	179	0	0	0	0	108.9	S331 F349 K356	S331-V381 WeakPolarHBondContact O-CA 3.3Å; F349-V381 WeakPolarHBondContact CZ-O 3.42Å; K356-V381 HydrophobicContact CB-CG1 4.01Å; K356-V381 HydrophobicContact CB-CG2 4.06Å; K356-V381 HydrophobicContact CD-CG1 3.65Å
382	V	95.9	Very high	96	Very high	42 Å²	42	63.8 Å²	63.8	26%	0.255	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.3	178.1	-178.1	0	0	0	0	109.7	S331 Y332 N333 K384	S331-V382 PolarHBondContact O-N 3.49Å; Y332-V382 CarbonylContact C-O 3.58Å; Y332-V382 HydrophobicContact CD2-CB 3.76Å; Y332-V382 HydrophobicContact CD2-CG1 3.56Å; Y332-V382 HydrophobicContact CE2-CB 4.48Å; Y332-V382 HydrophobicContact CE2-CG1 3.79Å; N333-V382 WeakPolarHBondContact CB-O 3.39Å; N333-V382 PolarHBondContact N-O 2.86Å; N333-V382 PolarHBondContact ND2-O 3.14Å; N333-V382 VanDerWaalsContact ND2-O 3.16Å; V382-K384 HydrophobicContact CG1-CG 4.23Å
383	I	94.9	Very high	96.1	Very high	16 Å²	16	61.7 Å²	61.7	8%	0.082	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	131.4	171.3	-57.3	171	0	0	0	108.3	N333 L335 L343 F349 K352 K356	N333-I383 HydrophobicContact CB-CG1 4.13Å; N333-I383 CarbonylContact O-C 3.6Å; N333-I383 VanDerWaalsContact O-CA 3.32Å; N333-I383 WeakPolarHBondContact O-CA 3.35Å; L335-I383 HydrophobicContact CD2-CG2 3.76Å; L343-I383 HydrophobicContact CD1-CD1 4.35Å; L343-I383 HydrophobicContact CD1-CG2 4.42Å; F349-I383 HydrophobicContact CD2-CB 3.97Å; F349-I383 HydrophobicContact CD2-CD1 4.08Å; F349-I383 HydrophobicContact CD2-CG1 4.26Å; F349-I383 HydrophobicContact CE2-CB 3.75Å; F349-I383 HydrophobicContact CE2-CD1 3.9Å; F349-I383 HydrophobicContact CE2-CG1 3.78Å; K352-I383 HydrophobicContact CB-CD1 4.14Å; K352-I383 HydrophobicContact CG-CD1 3.55Å; K356-I383 HydrophobicContact CD-CD1 4.39Å
384	K	97.4	Very high	96.3	Very high	118 Å²	118	58.5 Å²	58.5	51%	0.513	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.4	175.8	-66.7	-63.5	-179.1	-173.8	0	111.5	Y332 N333 H334 L335 V382 V386	Y332-K384 HydrophobicContact CE2-CG 3.95Å; N333-K384 PolarHBondContact O-N 2.89Å; H334-K384 WeakPolarHBondContact CA-O 3.2Å; H334-K384 HydrophobicContact CB-CB 4.24Å; H334-K384 WeakPolarHBondContact CB-O 3.14Å; L335-K384 PolarHBondContact N-O 3.39Å; V382-K384 HydrophobicContact CG1-CG 4.23Å; K384-V386 HydrophobicContact CB-CG2 4.49Å
385	Y	97.3	Very high	96.7	Very high	80 Å²	80	54.4 Å²	54.4	31%	0.314	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	117.5	171.2	179.5	-125.7	0	0	0	109.9	L335 G336 G340 Q341 P387	L335-Y385 WeakPolarHBondContact O-CA 3.49Å; L335-Y385 WeakPolarHBondContact O-CD2 3.33Å; G336-Y385 WeakPolarHBondContact O-CE2 3.17Å; G340-Y385 VanDerWaalsContact C-CD2 3.46Å; Q341-Y385 HydrophobicContact CB-CD2 4.11Å; Q341-Y385 HydrophobicContact CB-CE1 4.33Å; Q341-Y385 HydrophobicContact CB-CE2 3.73Å; Q341-Y385 HydrophobicContact CG-CE1 4.14Å; Q341-Y385 HydrophobicContact CG-CE2 4.4Å; Q341-Y385 VanDerWaalsContact N-CD2 3.34Å; Y385-P387 HydrophobicContact CD1-CG 4.27Å; Y385-P387 HydrophobicContact CE1-CG 3.63Å; Y385-P387 HydrophobicContact CE2-CG 4.4Å
386	V	98.1	Very high	96.8	Very high	50 Å²	50	54.9 Å²	54.9	30%	0.303	29%	0.287	S	S	.	.			trans	-131.4	94.6	178.7	179.3	0	0	0	0	107.6	H334 L335 G336 K384 Y388 V389	H334-V386 HydrophobicContact CB-CB 4.15Å; H334-V386 HydrophobicContact CB-CG2 3.65Å; L335-V386 CarbonylContact C-O 3.55Å; L335-V386 PolarHBondContact O-N 3.46Å; G336-V386 WeakPolarHBondContact CA-O 3.25Å; G336-V386 PolarHBondContact N-O 3.02Å; K384-V386 HydrophobicContact CB-CG2 4.49Å; V386-Y388 PolarHBondContact O-N 3.4Å; V386-V389 WeakPolarHBondContact O-CG2 3.38Å; V386-V389 PolarHBondContact O-N 2.86Å
387	P	96.4	Very high	97	Very high	79 Å²	79	52.2 Å²	52.2	51%	0.513	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-52.6	-36.4	-169.9	-26.7	30.1	0	0	0	114.5	Y385 V389 G390	Y385-P387 HydrophobicContact CD1-CG 4.27Å; Y385-P387 HydrophobicContact CE1-CG 3.63Å; Y385-P387 HydrophobicContact CE2-CG 4.4Å; P387-V389 PolarHBondContact O-N 3.29Å; P387-V389 VanDerWaalsContact O-N 3.16Å; P387-G390 PolarHBondContact O-N 3.46Å; P387-G390 VanDerWaalsContact O-N 3.11Å
388	Y	97.9	Very high	97.1	Very high	221 Å²	221	55.6 Å²	55.6	87%	0.867	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-58.4	-32.1	-172.3	-172	-98	0	0	0	114.2	V386 G390	V386-Y388 PolarHBondContact O-N 3.4Å; Y388-G390 VanDerWaalsContact C-N 3.34Å
389	V	97.4	Very high	97.2	Very high	27 Å²	27	49.8 Å²	49.8	16%	0.164	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-84.7	-7.3	-177.1	-56.6	0	0	0	0	113.7	V386 P387 D391 S392	V386-V389 WeakPolarHBondContact O-CG2 3.38Å; V386-V389 PolarHBondContact O-N 2.86Å; P387-V389 PolarHBondContact O-N 3.29Å; P387-V389 VanDerWaalsContact O-N 3.16Å; V389-D391 PolarHBondContact O-N 3.33Å; V389-S392 WeakPolarHBondContact O-CA 3.46Å; V389-S392 VanDerWaalsContact O-CB 3.28Å; V389-S392 WeakPolarHBondContact O-CB 3.44Å; V389-S392 PolarHBondContact O-N 3.46Å
390	G	97.6	Very high	97.3	Very high	19 Å²	19	48.8 Å²	48.8	20%	0.196	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	-130.9	179.6	0	0	0	0	0	112.6	G336 N337 P387 Y388 S392	G336-G390 CarbonylContact C-O 3.58Å; G336-G390 WeakPolarHBondContact CA-O 3.48Å; G336-G390 PolarHBondContact N-O 3.24Å; N337-G390 PolarHBondContact N-O 3.48Å; P387-G390 PolarHBondContact O-N 3.46Å; P387-G390 VanDerWaalsContact O-N 3.11Å; Y388-G390 VanDerWaalsContact C-N 3.34Å; G390-S392 VanDerWaalsContact C-N 3.27Å; G390-S392 PolarHBondContact O-N 2.71Å
391	D	97.2	Very high	97.4	Very high	7 Å²	7	45.9 Å²	45.9	4%	0.037	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-13.6	177.5	-153.1	72.7	0	0	0	114.2	N69 V156 N337 V389 K393 D419 S420	N69-D391 PolarHBondContact ND2-OD1 2.87Å; V156-D391 HydrophobicContact CG2-CB 4.08Å; N337-D391 PolarHBondContact ND2-OD1 3.42Å; V389-D391 PolarHBondContact O-N 3.33Å; D391-K393 PolarHBondContact O-N 3.23Å; D391-D419 PolarHBondContact O-N 3.45Å; D391-D419 VanDerWaalsContact O-N 3.13Å; D391-D419 PolarHBondContact OD2-N 3.46Å; D391-S420 PolarHBondContact OD1-OG 2.88Å; D391-S420 WeakPolarHBondContact OD2-CB 3.24Å; D391-S420 PolarHBondContact OD2-N 2.73Å; D391-S420 PolarHBondContact OD2-OG 3.27Å
392	S	97.7	Very high	97.5	Very high	15 Å²	15	50 Å²	50	11%	0.105	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	66.4	-178.4	-168.1	0	0	0	0	111.2	V389 G390 R394 T416 C417 E418	V389-S392 WeakPolarHBondContact O-CA 3.46Å; V389-S392 VanDerWaalsContact O-CB 3.28Å; V389-S392 WeakPolarHBondContact O-CB 3.44Å; V389-S392 PolarHBondContact O-N 3.46Å; G390-S392 VanDerWaalsContact C-N 3.27Å; G390-S392 PolarHBondContact O-N 2.71Å; S392-R394 PolarHBondContact O-N 3.41Å; S392-R394 PolarHBondContact O-NE 2.83Å; S392-R394 VanDerWaalsContact O-NE 3.07Å; S392-R394 PolarHBondContact OG-NH2 3.01Å; S392-T416 WeakPolarHBondContact OG-CG2 3.32Å; S392-C417 CarbonylContact C-O 3.58Å; S392-E418 WeakPolarHBondContact CA-OE2 3.46Å; S392-E418 VanDerWaalsContact CB-OE1 3.26Å; S392-E418 WeakPolarHBondContact CB-OE1 3.42Å; S392-E418 WeakPolarHBondContact CB-OE2 3.41Å; S392-E418 PolarHBondContact OG-OE1 3.14Å
393	K	97.1	Very high	97.6	Very high	12 Å²	12	51.2 Å²	51.2	5%	0.052	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	136.1	177.8	171.4	-173.2	172.3	-66.4	0	110.9	N333 H334 L335 D391 A395 C417 D419	N333-K393 WeakPolarHBondContact OD1-CE 3.29Å; N333-K393 PolarHBondContact OD1-NZ 2.93Å; H334-K393 WeakPolarHBondContact O-CA 3.45Å; L335-K393 HydrophobicContact CB-CB 3.88Å; L335-K393 HydrophobicContact CB-CG 4.18Å; D391-K393 PolarHBondContact O-N 3.23Å; K393-A395 VanDerWaalsContact NZ-CB 3.33Å; K393-C417 HydrophobicContact CB-CB 4.19Å; K393-C417 WeakPolarHBondContact CB-O 3.21Å; K393-C417 HydrophobicContact CD-CB 4.42Å; K393-C417 HydrophobicContact CG-CB 4.46Å; K393-C417 PolarHBondContact N-O 2.88Å; K393-C417 PolarHBondContact O-N 2.93Å; K393-D419 HydrophobicContact CB-CB 4.3Å
394	R	97.9	Very high	97.7	Very high	74 Å²	74	58.3 Å²	58.3	28%	0.279	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.1	171.8	-49.8	-55	168.7	120.3	-1.9	109.9	N333 H334 S392 L396 T416	N333-R394 CarbonylContact C-O 3.58Å; N333-R394 VanDerWaalsContact CA-O 3.26Å; N333-R394 WeakPolarHBondContact CA-O 3.42Å; H334-R394 WeakPolarHBondContact CE1-CB 3.36Å; H334-R394 PolarHBondContact N-O 3.34Å; H334-R394 WeakPolarHBondContact NE2-CB 3.37Å; H334-R394 WeakPolarHBondContact NE2-CG 3.45Å; H334-R394 PolarHBondContact O-N 2.83Å; S392-R394 PolarHBondContact O-N 3.41Å; S392-R394 PolarHBondContact O-NE 2.83Å; S392-R394 VanDerWaalsContact O-NE 3.07Å; S392-R394 PolarHBondContact OG-NH2 3.01Å; R394-L396 HydrophobicContact CB-CD1 4.32Å; R394-T416 WeakPolarHBondContact CD-OG1 3.42Å; R394-T416 PolarHBondContact NH1-OG1 3.46Å; R394-T416 VanDerWaalsContact NH1-OG1 3.08Å
395	A	97.4	Very high	97.7	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.8	171.9	0	0	0	0	0	109.4	Q308 Y332 K393 N415	Q308-A395 HydrophobicContact CB-CB 3.82Å; Q308-A395 HydrophobicContact CG-CB 4.04Å; Y332-A395 WeakPolarHBondContact O-CA 3.4Å; K393-A395 VanDerWaalsContact NZ-CB 3.33Å; A395-N415 HydrophobicContact CB-CB 4.12Å; A395-N415 PolarHBondContact N-O 3.41Å; A395-N415 PolarHBondContact O-N 3.08Å
396	L	98.1	Very high	97.6	Very high	69 Å²	69	60.8 Å²	60.8	36%	0.361	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.2	174.3	-65.9	92.8	0	0	0	107.3	Y332 R394 L413	Y332-L396 HydrophobicContact CD1-CB 4.4Å; Y332-L396 HydrophobicContact CD1-CD1 3.8Å; Y332-L396 HydrophobicContact CE1-CD1 4.28Å; Y332-L396 PolarHBondContact N-O 3.04Å; Y332-L396 PolarHBondContact O-N 3.36Å; R394-L396 HydrophobicContact CB-CD1 4.32Å; L396-L413 WeakPolarHBondContact CA-O 3.3Å
397	D	97.8	Very high	97.6	Very high	10 Å²	10	59.8 Å²	59.8	5%	0.053	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.2	-176.3	-63.8	-101.6	0	0	0	110.3	Q308 V330 S331 Y399 V412 L413	Q308-D397 WeakPolarHBondContact CG-OD1 3.47Å; Q308-D397 WeakPolarHBondContact CG-OD2 3.26Å; Q308-D397 VanDerWaalsContact NE2-CG 3.26Å; Q308-D397 PolarHBondContact NE2-OD1 3.15Å; Q308-D397 VanDerWaalsContact NE2-OD1 3.1Å; Q308-D397 PolarHBondContact NE2-OD2 2.83Å; V330-D397 CarbonylContact O-C 3.54Å; V330-D397 VanDerWaalsContact O-CA 3.25Å; V330-D397 WeakPolarHBondContact O-CA 3.25Å; S331-D397 WeakPolarHBondContact CA-OD1 3.2Å; S331-D397 VanDerWaalsContact CB-OD1 3.24Å; S331-D397 WeakPolarHBondContact CB-OD1 3.3Å; S331-D397 PolarHBondContact OG-OD1 3.34Å; D397-Y399 HydrophobicContact CB-CD2 4.35Å; D397-Y399 HydrophobicContact CB-CE2 3.57Å; D397-V412 WeakPolarHBondContact O-CA 3.21Å; D397-L413 HydrophobicContact CB-CB 4.5Å; D397-L413 PolarHBondContact N-O 3.18Å; D397-L413 PolarHBondContact O-N 3.43Å
398	E	98.4	Very high	97.6	Very high	86 Å²	86	60.7 Å²	60.7	40%	0.402	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.9	169.8	-172.9	-178.4	140.4	0	0	109	I329 V330 T410 L411 V412	I329-E398 WeakPolarHBondContact CA-O 3.39Å; V330-E398 PolarHBondContact N-O 3.02Å; V330-E398 PolarHBondContact O-N 2.85Å; E398-T410 HydrophobicContact CG-CG2 3.92Å; E398-L411 CarbonylContact C-O 3.55Å; E398-L411 WeakPolarHBondContact CA-O 3.04Å; E398-V412 HydrophobicContact CG-CG2 4.27Å
399	Y	98.4	Very high	97.6	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.008	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.8	173.3	-60	-100.7	0	0	0	108.2	K312 L315 V316 L319 S328 I329 D397 T410 L411 L413	K312-Y399 WeakPolarHBondContact CA-OH 3.38Å; K312-Y399 WeakPolarHBondContact CB-OH 3.4Å; K312-Y399 HydrophobicContact CG-CE1 4.22Å; K312-Y399 WeakPolarHBondContact CG-OH 3.47Å; L315-Y399 HydrophobicContact CB-CE1 4.42Å; L315-Y399 HydrophobicContact CD1-CD2 4.16Å; L315-Y399 HydrophobicContact CD1-CE2 3.6Å; V316-Y399 HydrophobicContact CG2-CD1 4.44Å; V316-Y399 HydrophobicContact CG2-CE1 3.96Å; L319-Y399 HydrophobicContact CD1-CD1 4.22Å; L319-Y399 HydrophobicContact CD1-CG 4.44Å; S328-Y399 WeakPolarHBondContact O-CA 3.43Å; I329-Y399 HydrophobicContact CB-CD1 4.49Å; I329-Y399 HydrophobicContact CD1-CD1 4.39Å; I329-Y399 HydrophobicContact CD1-CE1 4.36Å; I329-Y399 HydrophobicContact CG1-CD1 3.95Å; I329-Y399 HydrophobicContact CG1-CE1 4.23Å; I329-Y399 HydrophobicContact CG2-CD1 4.06Å; I329-Y399 HydrophobicContact CG2-CE1 3.68Å; D397-Y399 HydrophobicContact CB-CD2 4.35Å; D397-Y399 HydrophobicContact CB-CE2 3.57Å; Y399-T410 CarbonylContact O-C 3.58Å; Y399-T410 VanDerWaalsContact O-CA 3.29Å; Y399-T410 WeakPolarHBondContact O-CA 3.29Å; Y399-L411 PolarHBondContact N-O 3.32Å; Y399-L411 PolarHBondContact O-N 3.35Å; Y399-L413 HydrophobicContact CD2-CD1 3.72Å; Y399-L413 HydrophobicContact CE2-CD1 3.84Å
400	T	98.3	Very high	97.7	Very high	30 Å²	30	54.6 Å²	54.6	18%	0.184	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.9	174.2	-68.9	0	0	0	0	109.8	M327 S328 N409 T410	M327-T400 PolarHBondContact N-O 3.13Å; S328-T400 PolarHBondContact N-O 3.44Å; S328-T400 PolarHBondContact O-N 3.45Å; T400-N409 CarbonylContact C-O 3.57Å; T400-N409 WeakPolarHBondContact CA-O 3.43Å; T400-T410 PolarHBondContact OG1-OG1 2.66Å
401	S	98.4	Very high	97.7	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.007	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.2	-177.4	-57.7	0	0	0	0	111.6	K325 T326 T408 N409	K325-S401 CarbonylContact O-C 3.59Å; K325-S401 WeakPolarHBondContact O-CA 3.15Å; K325-S401 WeakPolarHBondContact O-CB 3.23Å; T326-S401 WeakPolarHBondContact CA-OG 3.17Å; T326-S401 PolarHBondContact OG1-OG 3.42Å; S401-T408 CarbonylContact O-C 3.55Å; S401-T408 VanDerWaalsContact O-CA 3.31Å; S401-T408 WeakPolarHBondContact O-CA 3.48Å; S401-N409 PolarHBondContact N-O 2.95Å; S401-N409 PolarHBondContact O-N 3.27Å
402	E	98.1	Very high	97.8	Very high	91 Å²	91	61.4 Å²	61.4	43%	0.425	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	142.8	168.2	-70.2	177.1	179.4	0	0	111	K325 M327	K325-E402 HydrophobicContact CB-CB 4.28Å; K325-E402 PolarHBondContact N-O 2.73Å; K325-E402 PolarHBondContact O-N 3.27Å; M327-E402 HydrophobicContact CG-CB 4.44Å; M327-E402 HydrophobicContact CG-CG 3.71Å
403	L	97.8	Very high	97.8	Very high	68 Å²	68	63.1 Å²	63.1	36%	0.356	36%	0.355	S	S	.	.			trans	-116.3	177.3	178	-54.2	-177.9	0	0	0	110.7	L324 G407 N409	L324-L403 HydrophobicContact CD2-CD2 3.41Å; L324-L403 VanDerWaalsContact CD2-CD2 3.41Å; L403-G407 WeakPolarHBondContact CB-O 3.48Å; L403-G407 PolarHBondContact N-O 2.89Å; L403-N409 HydrophobicContact CD1-CB 4.08Å; L403-N409 HydrophobicContact CD2-CB 3.87Å; L403-N409 HydrophobicContact CG-CB 4.14Å
404	M	97.3	Very high	97.8	Very high	166 Å²	166	67.9 Å²	67.9	82%	0.818	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-53.6	146.2	171	70.1	177.6	-176	0	0	111.9	G406 G407	M404-G406 PolarHBondContact O-N 2.69Å; M404-G407 PolarHBondContact O-N 3.31Å
405	L	96.6	Very high	97.8	Very high	177 Å²	177	66.5 Å²	66.5	93%	0.927	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	57.1	28.4	174.3	-52.8	176.6	0	0	0	114.6	G407	L405-G407 VanDerWaalsContact C-N 3.33Å
406	G	95.3	Very high	97.8	Very high	73 Å²	73	69.4 Å²	69.4	75%	0.753	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	79.4	11.7	176.8	0	0	0	0	0	114.6	M404	M404-G406 PolarHBondContact O-N 2.69Å
407	G	97.9	Very high	97.6	Very high	29 Å²	29	66.2 Å²	66.2	30%	0.299	38%	0.377	S	S	.	.			trans	-68.2	162.7	171.4	0	0	0	0	0	112.1	L403 M404 L405	L403-G407 WeakPolarHBondContact CB-O 3.48Å; L403-G407 PolarHBondContact N-O 2.89Å; M404-G407 PolarHBondContact O-N 3.31Å; L405-G407 VanDerWaalsContact C-N 3.33Å
408	T	98.1	Very high	97.6	Very high	98 Å²	98	69.3 Å²	69.3	60%	0.601	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.3	148.9	174.7	57.1	0	0	0	0	111.2	S401	S401-T408 CarbonylContact O-C 3.55Å; S401-T408 VanDerWaalsContact O-CA 3.31Å; S401-T408 WeakPolarHBondContact O-CA 3.48Å
409	N	98	Very high	97.4	Very high	50 Å²	50	66.1 Å²	66.1	27%	0.267	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.5	167.3	174.1	-112.2	0	0	0	108.7	T400 S401 L403	T400-N409 CarbonylContact C-O 3.57Å; T400-N409 WeakPolarHBondContact CA-O 3.43Å; S401-N409 PolarHBondContact N-O 2.95Å; S401-N409 PolarHBondContact O-N 3.27Å; L403-N409 HydrophobicContact CD1-CB 4.08Å; L403-N409 HydrophobicContact CD2-CB 3.87Å; L403-N409 HydrophobicContact CG-CB 4.14Å
410	T	98.2	Very high	97.4	Very high	69 Å²	69	66 Å²	66	42%	0.423	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.5	176.2	-58.6	0	0	0	0	109.7	E398 Y399 T400 V412	E398-T410 HydrophobicContact CG-CG2 3.92Å; Y399-T410 CarbonylContact O-C 3.58Å; Y399-T410 VanDerWaalsContact O-CA 3.29Å; Y399-T410 WeakPolarHBondContact O-CA 3.29Å; T400-T410 PolarHBondContact OG1-OG1 2.66Å; T410-V412 HydrophobicContact CG2-CG2 4.26Å
411	L	98.3	Very high	97.4	Very high	54 Å²	54	68.5 Å²	68.5	28%	0.283	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.7	173.8	-58.8	177.3	0	0	0	109.1	L319 E398 Y399 L413	L319-L411 HydrophobicContact CD2-CD1 4.02Å; E398-L411 CarbonylContact C-O 3.55Å; E398-L411 WeakPolarHBondContact CA-O 3.04Å; Y399-L411 PolarHBondContact N-O 3.32Å; Y399-L411 PolarHBondContact O-N 3.35Å; L411-L413 HydrophobicContact CB-CD1 3.96Å
412	V	98.1	Very high	97.4	Very high	115 Å²	115	71.6 Å²	71.6	70%	0.697	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.3	173	-177.5	0	0	0	0	108.6	D397 E398 T410	D397-V412 WeakPolarHBondContact O-CA 3.21Å; E398-V412 HydrophobicContact CG-CG2 4.27Å; T410-V412 HydrophobicContact CG2-CG2 4.26Å
413	L	97.7	Very high	97.4	Very high	51 Å²	51	67.4 Å²	67.4	27%	0.267	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.6	-178.1	-67	96.4	0	0	0	110.6	V311 L315 L396 D397 Y399 L411	V311-L413 HydrophobicContact CG1-CD2 4.34Å; L315-L413 HydrophobicContact CD1-CD1 3.83Å; L315-L413 HydrophobicContact CD1-CD2 3.65Å; L315-L413 HydrophobicContact CD1-CG 4.41Å; L396-L413 WeakPolarHBondContact CA-O 3.3Å; D397-L413 HydrophobicContact CB-CB 4.5Å; D397-L413 PolarHBondContact N-O 3.18Å; D397-L413 PolarHBondContact O-N 3.43Å; Y399-L413 HydrophobicContact CD2-CD1 3.72Å; Y399-L413 HydrophobicContact CE2-CD1 3.84Å; L411-L413 HydrophobicContact CB-CD1 3.96Å
414	H	97.8	Very high	97.5	Very high	113 Å²	113	64.5 Å²	64.5	52%	0.523	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.3	166.3	-179.5	84.9	0	0	0	109.2	T416	H414-T416 PolarHBondContact NE2-OG1 3.23Å
415	N	97.4	Very high	97.5	Very high	45 Å²	45	57.2 Å²	57.2	24%	0.241	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	116.4	179.6	-172.1	-6.7	0	0	0	110.1	A395 C417	A395-N415 HydrophobicContact CB-CB 4.12Å; A395-N415 PolarHBondContact N-O 3.41Å; A395-N415 PolarHBondContact O-N 3.08Å; N415-C417 PolarHBondContact ND2-SG 2.89Å; N415-C417 PolarHBondContact OD1-SG 3.47Å
416	T	97.9	Very high	97.6	Very high	61 Å²	61	49 Å²	49	37%	0.374	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	113	168.4	-64.7	0	0	0	0	108.4	S392 R394 H414	S392-T416 WeakPolarHBondContact OG-CG2 3.32Å; R394-T416 WeakPolarHBondContact CD-OG1 3.42Å; R394-T416 PolarHBondContact NH1-OG1 3.46Å; R394-T416 VanDerWaalsContact NH1-OG1 3.08Å; H414-T416 PolarHBondContact NE2-OG1 3.23Å
417	C	94.4	Very high	97.8	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.007	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	110.8	-174.9	-63.4	0	0	0	0	109.2	S392 K393 N415 D419 L422	S392-C417 CarbonylContact C-O 3.58Å; K393-C417 HydrophobicContact CB-CB 4.19Å; K393-C417 WeakPolarHBondContact CB-O 3.21Å; K393-C417 HydrophobicContact CD-CB 4.42Å; K393-C417 HydrophobicContact CG-CB 4.46Å; K393-C417 PolarHBondContact N-O 2.88Å; K393-C417 PolarHBondContact O-N 2.93Å; N415-C417 PolarHBondContact ND2-SG 2.89Å; N415-C417 PolarHBondContact OD1-SG 3.47Å; C417-D419 VanDerWaalsContact C-N 3.34Å; C417-D419 PolarHBondContact O-N 2.76Å; C417-L422 HydrophobicContact CB-CD1 3.71Å
418	E	97.2	Very high	97.8	Very high	75 Å²	75	44.2 Å²	44.2	35%	0.35	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	94.6	161.8	-57.8	-52.8	143.7	0	0	107.5	S392 S420 L421 L422	S392-E418 WeakPolarHBondContact CA-OE2 3.46Å; S392-E418 VanDerWaalsContact CB-OE1 3.26Å; S392-E418 WeakPolarHBondContact CB-OE1 3.42Å; S392-E418 WeakPolarHBondContact CB-OE2 3.41Å; S392-E418 PolarHBondContact OG-OE1 3.14Å; E418-S420 PolarHBondContact O-N 3.42Å; E418-L421 HydrophobicContact CB-CB 4.02Å; E418-L421 HydrophobicContact CB-CD1 3.92Å; E418-L421 HydrophobicContact CB-CG 4.26Å; E418-L421 HydrophobicContact CG-CD1 4.35Å; E418-L421 PolarHBondContact O-N 2.96Å; E418-L422 WeakPolarHBondContact O-CG 3.46Å; E418-L422 PolarHBondContact O-N 3.23Å
419	D	95.1	Very high	97.9	Very high	20 Å²	20	39.6 Å²	39.6	11%	0.107	22%	0.215	C	C	.	.	H	α-helix	trans	-63.8	-42.6	-159.1	-161.6	30.7	0	0	0	112	S306 D391 K393 C417 L422 A423	S306-D419 PolarHBondContact OG-OD1 3.28Å; D391-D419 PolarHBondContact O-N 3.45Å; D391-D419 VanDerWaalsContact O-N 3.13Å; D391-D419 PolarHBondContact OD2-N 3.46Å; K393-D419 HydrophobicContact CB-CB 4.3Å; C417-D419 VanDerWaalsContact C-N 3.34Å; C417-D419 PolarHBondContact O-N 2.76Å; D419-L422 PolarHBondContact O-N 2.89Å; D419-A423 WeakPolarHBondContact O-CB 3.45Å; D419-A423 PolarHBondContact O-N 3.46Å
420	S	98.1	Very high	97.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68.9	-35.6	178.6	-59	0	0	0	0	112.7	N69 N70 D391 E418 L422 A423 A424	N69-S420 WeakPolarHBondContact CB-OG 3.47Å; N70-S420 PolarHBondContact OD1-OG 3.25Å; D391-S420 PolarHBondContact OD1-OG 2.88Å; D391-S420 WeakPolarHBondContact OD2-CB 3.24Å; D391-S420 PolarHBondContact OD2-N 2.73Å; D391-S420 PolarHBondContact OD2-OG 3.27Å; E418-S420 PolarHBondContact O-N 3.42Å; S420-L422 VanDerWaalsContact C-N 3.26Å; S420-L422 PolarHBondContact O-N 2.96Å; S420-A423 PolarHBondContact O-N 3.41Å; S420-A424 WeakPolarHBondContact O-CB 3.37Å; S420-A424 PolarHBondContact O-N 2.82Å
421	L	98.4	Very high	97.9	Very high	81 Å²	81	34 Å²	34	42%	0.424	18%	0.183	S	C	.	.	H	α-helix	trans	-70.5	-24	175.3	-68.7	177.3	0	0	0	112.2	T73 V156 L157 E418 P425	T73-L421 HydrophobicContact CG2-CD2 4.01Å; V156-L421 HydrophobicContact CG1-CD1 4.38Å; V156-L421 HydrophobicContact CG1-CD2 3.93Å; V156-L421 HydrophobicContact CG1-CG 3.72Å; L157-L421 HydrophobicContact CD2-CD2 4.02Å; E418-L421 HydrophobicContact CB-CB 4.02Å; E418-L421 HydrophobicContact CB-CD1 3.92Å; E418-L421 HydrophobicContact CB-CG 4.26Å; E418-L421 HydrophobicContact CG-CD1 4.35Å; E418-L421 PolarHBondContact O-N 2.96Å; L421-P425 WeakPolarHBondContact O-CD 3.39Å; L421-P425 WeakPolarHBondContact O-CG 3.35Å
422	L	98.1	Very high	97.9	Very high	67 Å²	67	31.5 Å²	31.5	35%	0.351	17%	0.169	S	C	.	.	H	α-helix	trans	-84.5	-32	171.2	-68.7	170.7	0	0	0	112.7	C417 E418 D419 S420 I426	C417-L422 HydrophobicContact CB-CD1 3.71Å; E418-L422 WeakPolarHBondContact O-CG 3.46Å; E418-L422 PolarHBondContact O-N 3.23Å; D419-L422 PolarHBondContact O-N 2.89Å; S420-L422 VanDerWaalsContact C-N 3.26Å; S420-L422 PolarHBondContact O-N 2.96Å; L422-I426 WeakPolarHBondContact O-CD1 3.44Å; L422-I426 WeakPolarHBondContact O-CG1 3.28Å
423	A	98.3	Very high	98	Very high	3 Å²	3	26.1 Å²	26.1	3%	0.025	14%	0.137	C	C	.	.	H	α-helix	trans	-80.7	-40.4	-178.3	0	0	0	0	0	113.3	F304 D419 S420 I426 M427	F304-A423 HydrophobicContact CD2-CB 4.4Å; D419-A423 WeakPolarHBondContact O-CB 3.45Å; D419-A423 PolarHBondContact O-N 3.46Å; S420-A423 PolarHBondContact O-N 3.41Å; A423-I426 WeakPolarHBondContact O-CB 3.42Å; A423-I426 PolarHBondContact O-N 3.45Å; A423-M427 WeakPolarHBondContact O-CG 3.48Å; A423-M427 PolarHBondContact O-N 3.27Å
424	A	98.5	Very high	98	Very high	7 Å²	7	23.7 Å²	23.7	6%	0.058	12%	0.124	C	C	.	.	H	α-helix	trans	-57.9	-43.5	-177.6	0	0	0	0	0	113.5	T73 L74 S420 I426 M427 L428	T73-A424 HydrophobicContact CG2-CB 3.98Å; L74-A424 HydrophobicContact CB-CB 4.07Å; S420-A424 WeakPolarHBondContact O-CB 3.37Å; S420-A424 PolarHBondContact O-N 2.82Å; A424-I426 VanDerWaalsContact C-N 3.31Å; A424-I426 PolarHBondContact O-N 3.47Å; A424-M427 WeakPolarHBondContact O-CB 3.38Å; A424-M427 PolarHBondContact O-N 2.96Å; A424-L428 PolarHBondContact O-N 2.7Å
425	P	98.6	Very high	98.1	Very high	13 Å²	13	18.3 Å²	18.3	8%	0.084	10%	0.099	C	C	.	.	H	α-helix	trans	-66	-30.4	175	-20.6	33.1	0	0	0	113.8	Y99 G100 S101 L421 L428 D429	Y99-P425 WeakPolarHBondContact O-CG 3.42Å; G100-P425 VanDerWaalsContact C-CB 3.42Å; S101-P425 VanDerWaalsContact N-CB 3.34Å; L421-P425 WeakPolarHBondContact O-CD 3.39Å; L421-P425 WeakPolarHBondContact O-CG 3.35Å; P425-L428 WeakPolarHBondContact O-CB 3.36Å; P425-L428 PolarHBondContact O-N 3.46Å; P425-D429 PolarHBondContact O-N 3.43Å
426	I	98.7	Very high	98.1	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-66.3	-44.1	173.8	-66.8	173.2	0	0	0	110.2	F304 K305 L422 A423 A424 L428 D429 L430 L463	F304-I426 HydrophobicContact CB-CG2 4.34Å; F304-I426 HydrophobicContact CD1-CG2 3.92Å; F304-I426 HydrophobicContact CG-CG2 4.42Å; K305-I426 VanDerWaalsContact O-CD1 3.26Å; K305-I426 WeakPolarHBondContact O-CD1 3.35Å; L422-I426 WeakPolarHBondContact O-CD1 3.44Å; L422-I426 WeakPolarHBondContact O-CG1 3.28Å; A423-I426 WeakPolarHBondContact O-CB 3.42Å; A423-I426 PolarHBondContact O-N 3.45Å; A424-I426 VanDerWaalsContact C-N 3.31Å; A424-I426 PolarHBondContact O-N 3.47Å; I426-L428 VanDerWaalsContact C-N 3.26Å; I426-L428 PolarHBondContact O-N 3.23Å; I426-D429 PolarHBondContact O-N 3.36Å; I426-L430 HydrophobicContact CG2-CD1 4.13Å; I426-L430 HydrophobicContact CG2-CG 4.43Å; I426-L430 WeakPolarHBondContact O-CB 3.26Å; I426-L430 VanDerWaalsContact O-CG 3.29Å; I426-L430 WeakPolarHBondContact O-CG 3.44Å; I426-L430 PolarHBondContact O-N 3.19Å; I426-L463 HydrophobicContact CB-CD2 4.37Å; I426-L463 HydrophobicContact CG1-CD2 4.35Å; I426-L463 HydrophobicContact CG2-CB 3.87Å; I426-L463 HydrophobicContact CG2-CD2 3.92Å; I426-L463 HydrophobicContact CG2-CG 4.45Å
427	M	98.8	Very high	98.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-59.5	-40.1	174.9	-65.3	166.5	67.8	0	0	111.6	L63 N70 L74 L226 T228 F304 A423 A424 L430 V431	L63-M427 HydrophobicContact CD1-CE 4.09Å; L63-M427 HydrophobicContact CD2-CE 3.74Å; N70-M427 HydrophobicContact CB-CE 4.47Å; N70-M427 HydrophobicContact CB-SD 3.73Å; L74-M427 HydrophobicContact CB-CE 4.44Å; L74-M427 HydrophobicContact CD2-CB 3.87Å; L74-M427 HydrophobicContact CD2-CE 3.68Å; L74-M427 HydrophobicContact CD2-SD 4.37Å; L226-M427 HydrophobicContact CD1-CB 4.09Å; L226-M427 HydrophobicContact CD1-CG 4.29Å; L226-M427 HydrophobicContact CD2-CE 3.85Å; L226-M427 HydrophobicContact CD2-CG 4.32Å; T228-M427 HydrophobicContact CG2-CE 3.76Å; F304-M427 HydrophobicContact CE1-CG 3.81Å; F304-M427 HydrophobicContact CE2-CG 3.97Å; F304-M427 HydrophobicContact CE2-SD 4.3Å; F304-M427 HydrophobicContact CZ-CG 3.44Å; F304-M427 VanDerWaalsContact CZ-CG 3.44Å; F304-M427 HydrophobicContact CZ-SD 4.2Å; A423-M427 WeakPolarHBondContact O-CG 3.48Å; A423-M427 PolarHBondContact O-N 3.27Å; A424-M427 WeakPolarHBondContact O-CB 3.38Å; A424-M427 PolarHBondContact O-N 2.96Å; M427-L430 WeakPolarHBondContact O-CB 3.4Å; M427-L430 PolarHBondContact O-N 2.87Å; M427-V431 WeakPolarHBondContact O-CG2 3.49Å; M427-V431 PolarHBondContact O-N 3.16Å; M427-V431 VanDerWaalsContact O-N 3.14Å
428	L	98.6	Very high	98.4	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-61.1	-52	175	-180	62.7	0	0	0	111.1	L74 Y98 Q104 P132 L135 A424 P425 I426 L430 V431 L432	L74-L428 HydrophobicContact CD1-CB 4.17Å; Y98-L428 HydrophobicContact CD1-CD2 3.65Å; Y98-L428 HydrophobicContact CE1-CD2 3.99Å; Y98-L428 HydrophobicContact CG-CD2 4.19Å; Q104-L428 HydrophobicContact CG-CD2 3.94Å; P132-L428 HydrophobicContact CB-CD1 3.75Å; P132-L428 HydrophobicContact CB-CD2 3.96Å; P132-L428 HydrophobicContact CB-CG 4.43Å; P132-L428 HydrophobicContact CG-CD1 4.01Å; P132-L428 HydrophobicContact CG-CD2 3.84Å; P132-L428 HydrophobicContact CG-CG 4.33Å; L135-L428 HydrophobicContact CD1-CD1 3.52Å; A424-L428 PolarHBondContact O-N 2.7Å; P425-L428 WeakPolarHBondContact O-CB 3.36Å; P425-L428 PolarHBondContact O-N 3.46Å; I426-L428 VanDerWaalsContact C-N 3.26Å; I426-L428 PolarHBondContact O-N 3.23Å; L428-L430 VanDerWaalsContact C-N 3.29Å; L428-L430 PolarHBondContact O-N 3.26Å; L428-V431 PolarHBondContact O-N 3.05Å; L428-L432 HydrophobicContact CD1-CD1 3.91Å; L428-L432 HydrophobicContact CD1-CG 4.14Å; L428-L432 HydrophobicContact CG-CD1 3.9Å; L428-L432 HydrophobicContact CG-CG 4.45Å; L428-L432 VanDerWaalsContact O-CG 3.28Å; L428-L432 WeakPolarHBondContact O-CG 3.42Å; L428-L432 PolarHBondContact O-N 3.41Å
429	D	98.8	Very high	98.4	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-60.1	-39.2	178.8	-68.6	-33.2	0	0	0	112.4	S101 L102 T103 P425 I426 V431 L432 L433 L463	S101-D429 WeakPolarHBondContact CA-OD2 3.43Å; S101-D429 PolarHBondContact OG-OD1 2.95Å; L102-D429 WeakPolarHBondContact CB-OD2 3.34Å; L102-D429 PolarHBondContact N-OD1 3.41Å; L102-D429 PolarHBondContact N-OD2 3.48Å; T103-D429 WeakPolarHBondContact CB-OD1 3.5Å; T103-D429 HydrophobicContact CG2-CB 4.43Å; T103-D429 WeakPolarHBondContact CG2-OD1 3.4Å; T103-D429 PolarHBondContact N-OD1 3.05Å; T103-D429 PolarHBondContact OG1-OD1 3.43Å; P425-D429 PolarHBondContact O-N 3.43Å; I426-D429 PolarHBondContact O-N 3.36Å; D429-V431 PolarHBondContact O-N 2.93Å; D429-L432 PolarHBondContact O-N 3.31Å; D429-L433 VanDerWaalsContact O-CB 3.29Å; D429-L433 WeakPolarHBondContact O-CB 3.39Å; D429-L433 VanDerWaalsContact O-CG 3.29Å; D429-L433 WeakPolarHBondContact O-CG 3.01Å; D429-L433 PolarHBondContact O-N 3.06Å; D429-L463 HydrophobicContact CB-CD1 3.68Å; D429-L463 HydrophobicContact CB-CD2 3.87Å; D429-L463 HydrophobicContact CB-CG 4.46Å
430	L	98.9	Very high	98.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-58.1	-48.8	177	-83.1	173.9	0	0	0	111.4	L226 L276 F304 I426 M427 L428 T434 L460 L463 F464	L226-L430 HydrophobicContact CD1-CB 4.38Å; L226-L430 HydrophobicContact CD1-CD1 4.36Å; L276-L430 HydrophobicContact CD1-CB 3.92Å; F304-L430 HydrophobicContact CD1-CD1 3.76Å; F304-L430 HydrophobicContact CE1-CD1 3.49Å; F304-L430 VanDerWaalsContact CE1-CD1 3.49Å; I426-L430 HydrophobicContact CG2-CD1 4.13Å; I426-L430 HydrophobicContact CG2-CG 4.43Å; I426-L430 WeakPolarHBondContact O-CB 3.26Å; I426-L430 VanDerWaalsContact O-CG 3.29Å; I426-L430 WeakPolarHBondContact O-CG 3.44Å; I426-L430 PolarHBondContact O-N 3.19Å; M427-L430 WeakPolarHBondContact O-CB 3.4Å; M427-L430 PolarHBondContact O-N 2.87Å; L428-L430 VanDerWaalsContact C-N 3.29Å; L428-L430 PolarHBondContact O-N 3.26Å; L430-T434 WeakPolarHBondContact O-CB 3.43Å; L430-T434 PolarHBondContact O-N 2.78Å; L430-T434 PolarHBondContact O-OG1 3.36Å; L430-L460 HydrophobicContact CD2-CB 3.93Å; L430-L460 HydrophobicContact CD2-CD1 3.91Å; L430-L460 HydrophobicContact CD2-CD2 4.27Å; L430-L460 HydrophobicContact CD2-CG 4.26Å; L430-L463 HydrophobicContact CB-CD1 4.4Å; L430-L463 HydrophobicContact CD2-CB 3.64Å; L430-L463 HydrophobicContact CD2-CD1 3.69Å; L430-L463 HydrophobicContact CD2-CG 4.3Å; L430-L463 HydrophobicContact CG-CB 3.87Å; L430-L463 HydrophobicContact CG-CD1 3.76Å; L430-L463 HydrophobicContact CG-CG 4.39Å; L430-F464 HydrophobicContact CD1-CE1 3.8Å; L430-F464 HydrophobicContact CD1-CZ 3.77Å; L430-F464 HydrophobicContact CD2-CD2 4.17Å; L430-F464 HydrophobicContact CD2-CE1 4.04Å; L430-F464 HydrophobicContact CD2-CE2 3.38Å; L430-F464 HydrophobicContact CD2-CZ 3.3Å; L430-F464 HydrophobicContact CG-CZ 4.2Å
431	V	98.8	Very high	98.6	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.012	8%	0.081	C	C	.	.	H	α-helix	trans	-62.9	-48.9	178.4	166.2	0	0	0	0	111	L59 V61 L135 I224 L226 M427 L428 D429 T434 E435	L59-V431 HydrophobicContact CD2-CG1 3.56Å; L59-V431 HydrophobicContact CG-CG1 4.47Å; V61-V431 HydrophobicContact CG1-CG2 3.85Å; V61-V431 HydrophobicContact CG2-CB 4.45Å; V61-V431 HydrophobicContact CG2-CG1 3.55Å; V61-V431 HydrophobicContact CG2-CG2 4.07Å; L135-V431 HydrophobicContact CD2-CG1 4.24Å; I224-V431 HydrophobicContact CD1-CG1 4.15Å; I224-V431 VanDerWaalsContact CD1-O 3.29Å; I224-V431 WeakPolarHBondContact CD1-O 3.35Å; I224-V431 HydrophobicContact CG2-CG2 4.32Å; L226-V431 HydrophobicContact CD1-CG2 4.2Å; M427-V431 WeakPolarHBondContact O-CG2 3.49Å; M427-V431 PolarHBondContact O-N 3.16Å; M427-V431 VanDerWaalsContact O-N 3.14Å; L428-V431 PolarHBondContact O-N 3.05Å; D429-V431 PolarHBondContact O-N 2.93Å; V431-T434 PolarHBondContact O-N 3Å; V431-E435 PolarHBondContact O-N 3.21Å
432	L	98.8	Very high	98.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-67.9	-43	-174.4	-65.4	178.6	0	0	0	112.7	T103 Q104 M129 V130 P132 L135 L428 D429 E435 L436	T103-L432 WeakPolarHBondContact OG1-CD1 3.24Å; Q104-L432 VanDerWaalsContact NE2-CD1 3.31Å; M129-L432 HydrophobicContact CG-CB 4.26Å; M129-L432 HydrophobicContact SD-CB 3.95Å; M129-L432 HydrophobicContact SD-CD1 4.17Å; V130-L432 HydrophobicContact CB-CD2 3.73Å; V130-L432 HydrophobicContact CG1-CD2 4.03Å; V130-L432 VanDerWaalsContact O-CD2 3.25Å; V130-L432 WeakPolarHBondContact O-CD2 3.39Å; P132-L432 HydrophobicContact CG-CD1 4.1Å; L135-L432 HydrophobicContact CD2-CD2 4.5Å; L428-L432 HydrophobicContact CD1-CD1 3.91Å; L428-L432 HydrophobicContact CD1-CG 4.14Å; L428-L432 HydrophobicContact CG-CD1 3.9Å; L428-L432 HydrophobicContact CG-CG 4.45Å; L428-L432 VanDerWaalsContact O-CG 3.28Å; L428-L432 WeakPolarHBondContact O-CG 3.42Å; L428-L432 PolarHBondContact O-N 3.41Å; D429-L432 PolarHBondContact O-N 3.31Å; L432-E435 PolarHBondContact O-N 3.2Å; L432-L436 WeakPolarHBondContact O-CB 3.36Å; L432-L436 PolarHBondContact O-N 3.05Å
433	L	98.8	Very high	98.5	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.01	6%	0.056	C	C	.	.	H	α-helix	trans	-68.9	-37.7	177	-68.8	173.6	0	0	0	111.5	T103 M129 D429 L436 C437 L459 L460 L463 I486	T103-L433 HydrophobicContact CG2-CD2 4.03Å; T103-L433 HydrophobicContact CG2-CG 4.03Å; M129-L433 HydrophobicContact CE-CD2 4.48Å; D429-L433 VanDerWaalsContact O-CB 3.29Å; D429-L433 WeakPolarHBondContact O-CB 3.39Å; D429-L433 VanDerWaalsContact O-CG 3.29Å; D429-L433 WeakPolarHBondContact O-CG 3.01Å; D429-L433 PolarHBondContact O-N 3.06Å; L433-L436 PolarHBondContact O-N 3.25Å; L433-C437 WeakPolarHBondContact O-CB 3.41Å; L433-C437 PolarHBondContact O-N 3Å; L433-C437 PolarHBondContact O-SG 2.88Å; L433-L459 HydrophobicContact CB-CD2 4.37Å; L433-L459 HydrophobicContact CD1-CD2 4.42Å; L433-L460 HydrophobicContact CB-CD2 3.65Å; L433-L460 HydrophobicContact CD1-CD2 4.29Å; L433-L463 HydrophobicContact CD1-CD1 3.96Å; L433-I486 HydrophobicContact CD1-CD1 4.15Å; L433-I486 HydrophobicContact CD1-CG2 4.37Å; L433-I486 HydrophobicContact CD2-CG2 4.08Å
434	T	98.9	Very high	98.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62	-45.8	175.4	-60.3	0	0	0	0	111.1	I224 A274 L276 L430 V431 L436 C437 Q438 L457 L460	I224-T434 HydrophobicContact CD1-CG2 3.89Å; I224-T434 HydrophobicContact CG1-CG2 4.41Å; A274-T434 HydrophobicContact CB-CG2 3.64Å; L276-T434 WeakPolarHBondContact CD1-OG1 3.48Å; L430-T434 WeakPolarHBondContact O-CB 3.43Å; L430-T434 PolarHBondContact O-N 2.78Å; L430-T434 PolarHBondContact O-OG1 3.36Å; V431-T434 PolarHBondContact O-N 3Å; T434-L436 PolarHBondContact O-N 3.22Å; T434-C437 PolarHBondContact O-N 3.04Å; T434-Q438 WeakPolarHBondContact O-CG 3.24Å; T434-Q438 PolarHBondContact O-N 3.48Å; T434-Q438 VanDerWaalsContact O-N 3.12Å; T434-L457 HydrophobicContact CG2-CD2 4.41Å; T434-L460 WeakPolarHBondContact OG1-CD1 3.39Å
435	E	98.7	Very high	98.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.9	-47.3	176.2	-172.4	-71	130.9	0	0	111.3	P57 L59 V130 K222 I224 V431 L432 C437 Q438 R439	P57-E435 WeakPolarHBondContact CD-OE1 3.34Å; P57-E435 HydrophobicContact CG-CG 3.74Å; P57-E435 WeakPolarHBondContact CG-OE1 3.21Å; L59-E435 HydrophobicContact CD1-CG 4.26Å; L59-E435 HydrophobicContact CD2-CB 3.89Å; L59-E435 HydrophobicContact CD2-CG 3.96Å; V130-E435 HydrophobicContact CG2-CG 3.89Å; K222-E435 HydrophobicContact CD-CG 4.24Å; K222-E435 PolarHBondContact NZ-O 3.25Å; K222-E435 IonicContact NZ-OE1 3.19Å; K222-E435 PolarHBondContact NZ-OE1 3.09Å; I224-E435 HydrophobicContact CD1-CB 4.16Å; V431-E435 PolarHBondContact O-N 3.21Å; L432-E435 PolarHBondContact O-N 3.2Å; E435-C437 VanDerWaalsContact C-N 3.33Å; E435-C437 PolarHBondContact O-N 3.23Å; E435-Q438 WeakPolarHBondContact O-CB 3.49Å; E435-Q438 PolarHBondContact O-N 2.98Å; E435-R439 VanDerWaalsContact CD-NE 3.34Å; E435-R439 PolarHBondContact O-N 3.28Å; E435-R439 VanDerWaalsContact OE1-CD 3.3Å; E435-R439 WeakPolarHBondContact OE1-CD 3.08Å; E435-R439 IonicContact OE1-CZ 3.79Å; E435-R439 IonicContact OE1-NE 2.77Å; E435-R439 PolarHBondContact OE1-NE 3.11Å; E435-R439 IonicContact OE1-NH2 3.01Å; E435-R439 IonicContact OE2-CZ 3.4Å; E435-R439 IonicContact OE2-NE 3.14Å; E435-R439 PolarHBondContact OE2-NE 2.66Å; E435-R439 VanDerWaalsContact OE2-NE 3.14Å; E435-R439 IonicContact OE2-NH2 2.92Å; E435-R439 PolarHBondContact OE2-NH2 3.43Å
436	L	98.6	Very high	98.1	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.016	12%	0.117	C	C	.	.	H	α-helix	trans	-59.1	-45.4	178.9	177.5	59.3	0	0	0	111.2	T52 L127 M129 L432 L433 T434 Q438 R439 V440 L490	T52-L436 HydrophobicContact CG2-CD1 4.39Å; L127-L436 HydrophobicContact CB-CD1 4.09Å; L127-L436 HydrophobicContact CB-CD2 4.44Å; L127-L436 HydrophobicContact CD1-CD1 4.12Å; L127-L436 HydrophobicContact CD1-CD2 4.31Å; M129-L436 HydrophobicContact CE-CD2 3.9Å; L432-L436 WeakPolarHBondContact O-CB 3.36Å; L432-L436 PolarHBondContact O-N 3.05Å; L433-L436 PolarHBondContact O-N 3.25Å; T434-L436 PolarHBondContact O-N 3.22Å; L436-Q438 PolarHBondContact O-N 2.78Å; L436-R439 WeakPolarHBondContact O-CB 3.47Å; L436-R439 PolarHBondContact O-N 3.23Å; L436-V440 WeakPolarHBondContact O-CG2 3.4Å; L436-V440 PolarHBondContact O-N 2.82Å; L436-L490 HydrophobicContact CD2-CD2 3.5Å; L436-L490 HydrophobicContact CG-CD2 4.47Å
437	C	98.6	Very high	98	Very high	6 Å²	6	23.7 Å²	23.7	4%	0.041	13%	0.134	C	C	.	.	H	α-helix	trans	-59.3	-31.6	175.3	-73.6	0	0	0	0	113	F298 L433 T434 E435 R439 V440 F453 L457	F298-C437 HydrophobicContact CE2-CB 4.15Å; L433-C437 WeakPolarHBondContact O-CB 3.41Å; L433-C437 PolarHBondContact O-N 3Å; L433-C437 PolarHBondContact O-SG 2.88Å; T434-C437 PolarHBondContact O-N 3.04Å; E435-C437 VanDerWaalsContact C-N 3.33Å; E435-C437 PolarHBondContact O-N 3.23Å; C437-R439 PolarHBondContact O-N 3.17Å; C437-V440 PolarHBondContact O-N 2.86Å; C437-F453 HydrophobicContact CB-CD2 3.81Å; C437-F453 HydrophobicContact CB-CE2 4.04Å; C437-L457 HydrophobicContact CB-CD1 3.97Å; C437-L457 HydrophobicContact CB-CD2 3.79Å
438	Q	98.4	Very high	97.8	Very high	59 Å²	59	28.1 Å²	28.1	28%	0.276	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.8	174.1	-67.6	172.6	-42.6	0	0	113.6	F298 T434 E435 L436	F298-Q438 HydrophobicContact CD2-CG 3.47Å; F298-Q438 VanDerWaalsContact CD2-CG 3.47Å; F298-Q438 HydrophobicContact CE2-CB 4.23Å; F298-Q438 HydrophobicContact CE2-CG 3.52Å; T434-Q438 WeakPolarHBondContact O-CG 3.24Å; T434-Q438 PolarHBondContact O-N 3.48Å; T434-Q438 VanDerWaalsContact O-N 3.12Å; E435-Q438 WeakPolarHBondContact O-CB 3.49Å; E435-Q438 PolarHBondContact O-N 2.98Å; L436-Q438 PolarHBondContact O-N 2.78Å
439	R	98.1	Very high	97.7	Very high	15 Å²	15	35.1 Å²	35.1	6%	0.057	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-5.6	175.9	-74	-172.2	-71.3	111.4	-0.5	113.9	A53 Q55 P128 E435 L436 C437	A53-R439 HydrophobicContact CB-CB 4.1Å; A53-R439 HydrophobicContact CB-CG 4.24Å; A53-R439 PolarHBondContact N-O 2.88Å; A53-R439 PolarHBondContact O-NH1 3.31Å; Q55-R439 VanDerWaalsContact O-CD 3.24Å; Q55-R439 WeakPolarHBondContact O-CD 3.24Å; P128-R439 VanDerWaalsContact O-CZ 3.31Å; P128-R439 PolarHBondContact O-NH1 3.47Å; P128-R439 PolarHBondContact O-NH2 2.98Å; E435-R439 VanDerWaalsContact CD-NE 3.34Å; E435-R439 PolarHBondContact O-N 3.28Å; E435-R439 VanDerWaalsContact OE1-CD 3.3Å; E435-R439 WeakPolarHBondContact OE1-CD 3.08Å; E435-R439 IonicContact OE1-CZ 3.79Å; E435-R439 IonicContact OE1-NE 2.77Å; E435-R439 PolarHBondContact OE1-NE 3.11Å; E435-R439 IonicContact OE1-NH2 3.01Å; E435-R439 IonicContact OE2-CZ 3.4Å; E435-R439 IonicContact OE2-NE 3.14Å; E435-R439 PolarHBondContact OE2-NE 2.66Å; E435-R439 VanDerWaalsContact OE2-NE 3.14Å; E435-R439 IonicContact OE2-NH2 2.92Å; E435-R439 PolarHBondContact OE2-NH2 3.43Å; L436-R439 WeakPolarHBondContact O-CB 3.47Å; L436-R439 PolarHBondContact O-N 3.23Å; C437-R439 PolarHBondContact O-N 3.17Å
440	V	98.5	Very high	97.6	Very high	7 Å²	7	39.6 Å²	39.6	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	126	179.7	178.7	0	0	0	0	109	F50 T52 L436 C437 F453	F50-V440 HydrophobicContact CD1-CG1 4.22Å; T52-V440 HydrophobicContact CG2-CG2 4.03Å; L436-V440 WeakPolarHBondContact O-CG2 3.4Å; L436-V440 PolarHBondContact O-N 2.82Å; C437-V440 PolarHBondContact O-N 2.86Å; V440-F453 HydrophobicContact CB-CE2 3.74Å; V440-F453 HydrophobicContact CB-CZ 4.45Å; V440-F453 HydrophobicContact CG1-CE2 3.77Å; V440-F453 HydrophobicContact CG1-CZ 4.01Å; V440-F453 HydrophobicContact CG2-CE2 4.4Å
441	N	97.9	Very high	97.5	Very high	50 Å²	50	44 Å²	44	27%	0.267	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	160.4	163.7	59.9	83.1	0	0	0	109.6	R51 Q451	R51-N441 WeakPolarHBondContact CB-OD1 3.26Å; R51-N441 PolarHBondContact N-O 3.09Å; R51-N441 PolarHBondContact O-N 3.35Å; R51-N441 PolarHBondContact O-ND2 2.8Å; N441-Q451 CarbonylContact C-O 3.44Å; N441-Q451 WeakPolarHBondContact CA-O 3.46Å; N441-Q451 WeakPolarHBondContact CB-O 3.47Å
442	F	98.1	Very high	97.4	Very high	27 Å²	27	45.4 Å²	45.4	12%	0.118	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	158.7	178.8	53.6	-93.8	0	0	0	111.1	F48 T49 F50 Q451 G452 F453	F48-F442 HydrophobicContact CD1-CB 4.37Å; F48-F442 AromaticContact CD1-CD2 3.86Å; F48-F442 HydrophobicContact CD1-CD2 3.86Å; F48-F442 HydrophobicContact CD1-CG 4.36Å; F48-F442 AromaticContact CE1-CD2 3.85Å; F48-F442 HydrophobicContact CE1-CD2 3.85Å; F48-F442 HydrophobicContact CE1-CE2 4.19Å; T49-F442 WeakPolarHBondContact O-CA 3.31Å; F50-F442 HydrophobicContact CD1-CB 3.73Å; F50-F442 HydrophobicContact CD1-CD1 4.2Å; F50-F442 HydrophobicContact CD1-CG 4.28Å; F50-F442 HydrophobicContact CE1-CB 3.93Å; F50-F442 AromaticContact CE1-CD1 3.94Å; F50-F442 HydrophobicContact CE1-CD1 3.94Å; F50-F442 HydrophobicContact CE1-CG 4.05Å; F50-F442 HydrophobicContact CG-CB 4.25Å; F442-Q451 HydrophobicContact CD2-CG 4.08Å; F442-Q451 HydrophobicContact CE2-CG 3.77Å; F442-Q451 HydrophobicContact CZ-CG 4.31Å; F442-Q451 PolarHBondContact N-O 3.12Å; F442-Q451 WeakPolarHBondContact O-CG 3.31Å; F442-Q451 PolarHBondContact O-N 3.16Å; F442-G452 WeakPolarHBondContact CZ-O 3.46Å; F442-F453 AromaticContact CE1-CD1 3.88Å; F442-F453 HydrophobicContact CE1-CD1 3.88Å; F442-F453 AromaticContact CE1-CE1 3.95Å; F442-F453 HydrophobicContact CE1-CE1 3.95Å; F442-F453 HydrophobicContact CE1-CG 4.28Å; F442-F453 HydrophobicContact CE1-CZ 4.42Å; F442-F453 HydrophobicContact CZ-CD1 4.45Å
443	C	97.9	Very high	97.3	Very high	21 Å²	21	47.2 Å²	47.2	14%	0.142	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	172.1	168.7	64.5	0	0	0	0	109.8	F48 T49 D447 P448 E449	F48-C443 CarbonylContact C-O 3.58Å; F48-C443 VanDerWaalsContact CA-O 3.3Å; F48-C443 WeakPolarHBondContact CA-O 3.49Å; T49-C443 PolarHBondContact N-O 3.02Å; T49-C443 PolarHBondContact O-N 3.38Å; T49-C443 VanDerWaalsContact O-N 3.11Å; C443-D447 WeakPolarHBondContact CB-O 3.5Å; C443-P448 WeakPolarHBondContact CB-O 3.4Å; C443-E449 WeakPolarHBondContact CB-O 3.41Å
444	T	97.6	Very high	97.3	Very high	16 Å²	16	50.8 Å²	50.8	10%	0.098	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	161.7	176.4	67.1	0	0	0	0	110.9	T46 R47 F48 S446 D447	T46-T444 HydrophobicContact CG2-CG2 4Å; R47-T444 VanDerWaalsContact O-CA 3.31Å; R47-T444 WeakPolarHBondContact O-CA 3.3Å; F48-T444 HydrophobicContact CD1-CG2 3.86Å; F48-T444 HydrophobicContact CD2-CG2 4.42Å; F48-T444 HydrophobicContact CE1-CG2 3.59Å; F48-T444 HydrophobicContact CE2-CG2 4.17Å; F48-T444 HydrophobicContact CG-CG2 4.27Å; F48-T444 HydrophobicContact CZ-CG2 3.75Å; T444-S446 PolarHBondContact O-N 2.79Å; T444-S446 VanDerWaalsContact O-N 3.15Å; T444-S446 PolarHBondContact OG1-OG 2.87Å; T444-D447 PolarHBondContact N-O 2.84Å; T444-D447 CarbonylContact O-C 3.28Å; T444-D447 PolarHBondContact O-N 3.25Å; T444-D447 VanDerWaalsContact O-N 3.1Å; T444-D447 PolarHBondContact OG1-N 3.46Å
445	D	94.8	Very high	97.2	Very high	112 Å²	112	51.5 Å²	51.5	60%	0.599	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-28	174.6	-71.6	-1.5	0	0	0	112.6	R47	R47-D445 WeakPolarHBondContact CB-OD2 3.44Å; R47-D445 WeakPolarHBondContact CD-OD2 3.13Å; R47-D445 PolarHBondContact O-N 3.1Å
446	S	94.8	Very high	97.2	Very high	107 Å²	107	51.9 Å²	51.9	75%	0.748	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-21.3	177.7	48.6	0	0	0	0	114.6	T444	T444-S446 PolarHBondContact O-N 2.79Å; T444-S446 VanDerWaalsContact O-N 3.15Å; T444-S446 PolarHBondContact OG1-OG 2.87Å
447	D	95.8	Very high	97.2	Very high	68 Å²	68	52 Å²	52	36%	0.364	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	88.4	-179.2	-179.6	12.5	0	0	0	107.9	C443 T444 E449	C443-D447 WeakPolarHBondContact CB-O 3.5Å; T444-D447 PolarHBondContact N-O 2.84Å; T444-D447 CarbonylContact O-C 3.28Å; T444-D447 PolarHBondContact O-N 3.25Å; T444-D447 VanDerWaalsContact O-N 3.1Å; T444-D447 PolarHBondContact OG1-N 3.46Å; D447-E449 PolarHBondContact O-N 2.83Å
448	P	94.6	Very high	97.1	Very high	93 Å²	93	54 Å²	54	60%	0.604	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	-3.7	-170.4	32.1	-35.8	0	0	0	113.3	C443 P450	C443-P448 WeakPolarHBondContact CB-O 3.4Å; P448-P450 WeakPolarHBondContact O-CD 3.45Å
449	E	96.7	Very high	97	Very high	148 Å²	148	51.8 Å²	51.8	69%	0.692	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	124.4	176.8	-66.8	-165.4	160.5	0	0	110.3	C443 D447 Q451	C443-E449 WeakPolarHBondContact CB-O 3.41Å; D447-E449 PolarHBondContact O-N 2.83Å; E449-Q451 PolarHBondContact O-N 3.04Å
450	P	95.6	Very high	97	Very high	96 Å²	96	51 Å²	51	62%	0.623	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	129.7	177.5	-22.6	33.7	0	0	0	111.4	P448	P448-P450 WeakPolarHBondContact O-CD 3.45Å
451	Q	96.5	Very high	97	Very high	91 Å²	91	51.3 Å²	51.3	43%	0.425	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	154.8	173.4	65.1	-177.1	-68.3	0	0	111.1	N441 F442 E449	N441-Q451 CarbonylContact C-O 3.44Å; N441-Q451 WeakPolarHBondContact CA-O 3.46Å; N441-Q451 WeakPolarHBondContact CB-O 3.47Å; F442-Q451 HydrophobicContact CD2-CG 4.08Å; F442-Q451 HydrophobicContact CE2-CG 3.77Å; F442-Q451 HydrophobicContact CZ-CG 4.31Å; F442-Q451 PolarHBondContact N-O 3.12Å; F442-Q451 WeakPolarHBondContact O-CG 3.31Å; F442-Q451 PolarHBondContact O-N 3.16Å; E449-Q451 PolarHBondContact O-N 3.04Å
452	G	96.8	Very high	96.9	Very high	33 Å²	33	49.4 Å²	49.4	34%	0.34	29%	0.285	S	S	.	.			trans	-85.2	-174.3	169.4	0	0	0	0	0	111.9	F442	F442-G452 WeakPolarHBondContact CZ-O 3.46Å
453	F	97.9	Very high	97	Very high	37 Å²	37	48.1 Å²	48.1	16%	0.162	28%	0.279	C	S	.	.			trans	-62.4	162	166.5	-66.7	-74.5	0	0	0	111.8	F298 C437 V440 F442 L457 I489	F298-F453 HydrophobicContact CE1-CB 3.87Å; F298-F453 WeakPolarHBondContact CE1-O 3.4Å; F298-F453 HydrophobicContact CZ-CB 3.97Å; C437-F453 HydrophobicContact CB-CD2 3.81Å; C437-F453 HydrophobicContact CB-CE2 4.04Å; V440-F453 HydrophobicContact CB-CE2 3.74Å; V440-F453 HydrophobicContact CB-CZ 4.45Å; V440-F453 HydrophobicContact CG1-CE2 3.77Å; V440-F453 HydrophobicContact CG1-CZ 4.01Å; V440-F453 HydrophobicContact CG2-CE2 4.4Å; F442-F453 AromaticContact CE1-CD1 3.88Å; F442-F453 HydrophobicContact CE1-CD1 3.88Å; F442-F453 AromaticContact CE1-CE1 3.95Å; F442-F453 HydrophobicContact CE1-CE1 3.95Å; F442-F453 HydrophobicContact CE1-CG 4.28Å; F442-F453 HydrophobicContact CE1-CZ 4.42Å; F442-F453 HydrophobicContact CZ-CD1 4.45Å; F453-L457 HydrophobicContact CB-CD1 3.75Å; F453-L457 HydrophobicContact CD2-CD1 4.31Å; F453-L457 HydrophobicContact CG-CD1 4.07Å; F453-I489 HydrophobicContact CE1-CG2 4.32Å; F453-I489 HydrophobicContact CZ-CG2 3.84Å
454	H	97.9	Very high	96.9	Very high	77 Å²	77	47.2 Å²	47.2	36%	0.356	27%	0.273	S	S	.	.			trans	-60	142.2	170.5	-173.8	-88.2	0	0	0	110.6	V456 P470	H454-V456 PolarHBondContact ND1-N 3.26Å; H454-V456 CarbonylContact O-C 3.47Å; H454-V456 PolarHBondContact O-N 3.1Å; H454-V456 VanDerWaalsContact O-N 3.15Å; H454-P470 HydrophobicContact CB-CB 4.48Å; H454-P470 HydrophobicContact CB-CG 3.96Å
455	P	98.1	Very high	96.9	Very high	15 Å²	15	47 Å²	47	10%	0.097	27%	0.27	C	S	.	.	S	Bend	trans	-48.9	-39.9	178.1	-31.9	36	0	0	0	114.3	F298 V299 L457	F298-P455 CarbonylContact C-O 3.41Å; F298-P455 VanDerWaalsContact CA-O 3.25Å; F298-P455 WeakPolarHBondContact CA-O 3.49Å; V299-P455 PolarHBondContact N-O 2.95Å; P455-L457 PolarHBondContact O-N 3.16Å
456	V	98.3	Very high	96.8	Very high	8 Å²	8	42.7 Å²	42.7	5%	0.048	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-77.2	103.5	168	-177.3	0	0	0	0	109.7	L289 V299 H454 S458 L468	L289-V456 HydrophobicContact CD2-CG2 3.79Å; V299-V456 HydrophobicContact CG2-CG2 4.13Å; H454-V456 PolarHBondContact ND1-N 3.26Å; H454-V456 CarbonylContact O-C 3.47Å; H454-V456 PolarHBondContact O-N 3.1Å; H454-V456 VanDerWaalsContact O-N 3.15Å; V456-S458 PolarHBondContact O-N 3.33Å; V456-L468 HydrophobicContact CG1-CB 3.67Å; V456-L468 WeakPolarHBondContact CG1-O 3.09Å
457	L	97.4	Very high	96.8	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	22%	0.217	C	C	.	.			trans	-85.8	73.3	-170	-164.4	64.3	0	0	0	112.2	F298 V299 T434 C437 F453 P455 L459 L460	F298-L457 HydrophobicContact CD1-CB 4.43Å; F298-L457 HydrophobicContact CD1-CD1 4.28Å; F298-L457 HydrophobicContact CD2-CD2 4.36Å; F298-L457 HydrophobicContact CE1-CD1 4.26Å; F298-L457 HydrophobicContact CG-CD2 4.34Å; V299-L457 PolarHBondContact O-N 3.05Å; T434-L457 HydrophobicContact CG2-CD2 4.41Å; C437-L457 HydrophobicContact CB-CD1 3.97Å; C437-L457 HydrophobicContact CB-CD2 3.79Å; F453-L457 HydrophobicContact CB-CD1 3.75Å; F453-L457 HydrophobicContact CD2-CD1 4.31Å; F453-L457 HydrophobicContact CG-CD1 4.07Å; P455-L457 PolarHBondContact O-N 3.16Å; L457-L459 HydrophobicContact CG-CB 4.49Å; L457-L459 PolarHBondContact O-N 3.05Å; L457-L460 HydrophobicContact CB-CD1 4.34Å; L457-L460 HydrophobicContact CB-CG 4.47Å; L457-L460 HydrophobicContact CD2-CD1 3.95Å; L457-L460 HydrophobicContact CD2-CD2 4.37Å; L457-L460 HydrophobicContact CD2-CG 3.99Å; L457-L460 HydrophobicContact CG-CD1 4.35Å; L457-L460 HydrophobicContact CG-CG 4.13Å; L457-L460 WeakPolarHBondContact O-CB 3.23Å; L457-L460 PolarHBondContact O-N 2.71Å; L457-L460 VanDerWaalsContact O-N 3.1Å
458	S	96.9	Very high	96.8	Very high	48 Å²	48	36.7 Å²	36.7	34%	0.336	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-63.2	-12.6	-178.6	61.1	0	0	0	0	114.6	V456 L460 S461	V456-S458 PolarHBondContact O-N 3.33Å; S458-L460 PolarHBondContact O-N 3.19Å; S458-L460 VanDerWaalsContact O-N 3.14Å; S458-S461 VanDerWaalsContact O-CB 3.27Å; S458-S461 WeakPolarHBondContact O-CB 3.4Å; S458-S461 PolarHBondContact O-N 3.26Å; S458-S461 PolarHBondContact O-OG 2.76Å
459	L	96.8	Very high	96.8	Very high	12 Å²	12	33.9 Å²	33.9	6%	0.063	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-55.1	-29.1	169.8	-177.1	148.2	0	0	0	111.9	L433 L457 S461 I486 I489	L433-L459 HydrophobicContact CB-CD2 4.37Å; L433-L459 HydrophobicContact CD1-CD2 4.42Å; L457-L459 HydrophobicContact CG-CB 4.49Å; L457-L459 PolarHBondContact O-N 3.05Å; L459-S461 PolarHBondContact O-N 3.21Å; L459-I486 HydrophobicContact CD2-CG1 4.03Å; L459-I486 HydrophobicContact CD2-CG2 4.26Å; L459-I486 HydrophobicContact CG-CG1 4.12Å; L459-I486 WeakPolarHBondContact O-CG1 3.34Å; L459-I489 HydrophobicContact CD1-CB 4.21Å; L459-I489 HydrophobicContact CD1-CD1 3.67Å; L459-I489 HydrophobicContact CD1-CG2 3.89Å
460	L	98.1	Very high	96.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-76.4	1.9	179	-56.6	179.5	0	0	0	114.1	L276 L430 L433 T434 L457 S458 F462 L463 F464	L276-L460 HydrophobicContact CD2-CD1 3.7Å; L430-L460 HydrophobicContact CD2-CB 3.93Å; L430-L460 HydrophobicContact CD2-CD1 3.91Å; L430-L460 HydrophobicContact CD2-CD2 4.27Å; L430-L460 HydrophobicContact CD2-CG 4.26Å; L433-L460 HydrophobicContact CB-CD2 3.65Å; L433-L460 HydrophobicContact CD1-CD2 4.29Å; T434-L460 WeakPolarHBondContact OG1-CD1 3.39Å; L457-L460 HydrophobicContact CB-CD1 4.34Å; L457-L460 HydrophobicContact CB-CG 4.47Å; L457-L460 HydrophobicContact CD2-CD1 3.95Å; L457-L460 HydrophobicContact CD2-CD2 4.37Å; L457-L460 HydrophobicContact CD2-CG 3.99Å; L457-L460 HydrophobicContact CG-CD1 4.35Å; L457-L460 HydrophobicContact CG-CG 4.13Å; L457-L460 WeakPolarHBondContact O-CB 3.23Å; L457-L460 PolarHBondContact O-N 2.71Å; L457-L460 VanDerWaalsContact O-N 3.1Å; S458-L460 PolarHBondContact O-N 3.19Å; S458-L460 VanDerWaalsContact O-N 3.14Å; L460-F462 PolarHBondContact O-N 2.88Å; L460-L463 WeakPolarHBondContact O-CB 3.18Å; L460-L463 PolarHBondContact O-N 3.39Å; L460-F464 HydrophobicContact CB-CD2 4Å; L460-F464 HydrophobicContact CB-CE2 3.73Å; L460-F464 HydrophobicContact CD1-CE2 4.1Å
461	S	97.7	Very high	96.6	Very high	12 Å²	12	28.7 Å²	28.7	8%	0.084	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-58.7	-26	-172.7	-61.8	0	0	0	0	114.8	K305 S458 L459 L463 F464 P467 Q482	K305-S461 PolarHBondContact NZ-O 2.98Å; S458-S461 VanDerWaalsContact O-CB 3.27Å; S458-S461 WeakPolarHBondContact O-CB 3.4Å; S458-S461 PolarHBondContact O-N 3.26Å; S458-S461 PolarHBondContact O-OG 2.76Å; L459-S461 PolarHBondContact O-N 3.21Å; S461-L463 PolarHBondContact O-N 3.14Å; S461-L463 VanDerWaalsContact O-N 3.17Å; S461-F464 PolarHBondContact O-N 3.3Å; S461-F464 VanDerWaalsContact O-O 3.05Å; S461-P467 WeakPolarHBondContact OG-CB 3.37Å; S461-Q482 VanDerWaalsContact CB-NE2 3.33Å; S461-Q482 VanDerWaalsContact O-CD 3.31Å; S461-Q482 PolarHBondContact O-NE2 3.24Å; S461-Q482 PolarHBondContact O-OE1 3.17Å
462	F	97.6	Very high	96.3	Very high	10 Å²	10	28.7 Å²	28.7	4%	0.044	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-57.6	-25.6	172.9	-179.7	-99	0	0	0	112.9	L102 L460 L479 Q482 R483 I486	L102-F462 HydrophobicContact CB-CE1 4.15Å; L102-F462 HydrophobicContact CD2-CD1 3.91Å; L102-F462 HydrophobicContact CD2-CE1 3.87Å; L102-F462 HydrophobicContact CD2-CZ 4.5Å; L102-F462 HydrophobicContact CG-CE1 4.42Å; L460-F462 PolarHBondContact O-N 2.88Å; F462-L479 HydrophobicContact CD2-CD1 3.51Å; F462-L479 HydrophobicContact CD2-CG 3.94Å; F462-L479 HydrophobicContact CE2-CD1 3.51Å; F462-L479 HydrophobicContact CE2-CD2 4.12Å; F462-L479 HydrophobicContact CE2-CG 3.61Å; F462-L479 HydrophobicContact CG-CD1 4.34Å; F462-L479 HydrophobicContact CZ-CD1 4.33Å; F462-Q482 HydrophobicContact CB-CB 4Å; F462-Q482 HydrophobicContact CD2-CB 4.38Å; F462-R483 HydrophobicContact CD2-CB 3.92Å; F462-R483 HydrophobicContact CE2-CB 3.88Å; F462-I486 HydrophobicContact CB-CD1 3.68Å; F462-I486 HydrophobicContact CG-CD1 4.3Å
463	L	98.2	Very high	96.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-104.3	-9.2	-171.5	-59.3	168.1	0	0	0	112.7	K305 I426 D429 L430 L433 L460 S461	K305-L463 PolarHBondContact N-O 2.94Å; I426-L463 HydrophobicContact CB-CD2 4.37Å; I426-L463 HydrophobicContact CG1-CD2 4.35Å; I426-L463 HydrophobicContact CG2-CB 3.87Å; I426-L463 HydrophobicContact CG2-CD2 3.92Å; I426-L463 HydrophobicContact CG2-CG 4.45Å; D429-L463 HydrophobicContact CB-CD1 3.68Å; D429-L463 HydrophobicContact CB-CD2 3.87Å; D429-L463 HydrophobicContact CB-CG 4.46Å; L430-L463 HydrophobicContact CB-CD1 4.4Å; L430-L463 HydrophobicContact CD2-CB 3.64Å; L430-L463 HydrophobicContact CD2-CD1 3.69Å; L430-L463 HydrophobicContact CD2-CG 4.3Å; L430-L463 HydrophobicContact CG-CB 3.87Å; L430-L463 HydrophobicContact CG-CD1 3.76Å; L430-L463 HydrophobicContact CG-CG 4.39Å; L433-L463 HydrophobicContact CD1-CD1 3.96Å; L460-L463 WeakPolarHBondContact O-CB 3.18Å; L460-L463 PolarHBondContact O-N 3.39Å; S461-L463 PolarHBondContact O-N 3.14Å; S461-L463 VanDerWaalsContact O-N 3.17Å
464	F	97.9	Very high	95.9	Very high	2 Å²	2	33 Å²	33	1%	0.009	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-117.2	143.7	-179.3	-66.8	-59.3	0	0	0	113.1	N277 G301 D303 K305 L430 L460 S461 P467	N277-F464 VanDerWaalsContact O-CE1 3.25Å; N277-F464 WeakPolarHBondContact O-CE1 3.31Å; G301-F464 VanDerWaalsContact N-CE2 3.25Å; D303-F464 CarbonylContact O-C 3.52Å; D303-F464 VanDerWaalsContact O-CA 3.25Å; D303-F464 WeakPolarHBondContact O-CA 3.4Å; K305-F464 WeakPolarHBondContact CE-O 3.23Å; K305-F464 PolarHBondContact NZ-O 3.42Å; L430-F464 HydrophobicContact CD1-CE1 3.8Å; L430-F464 HydrophobicContact CD1-CZ 3.77Å; L430-F464 HydrophobicContact CD2-CD2 4.17Å; L430-F464 HydrophobicContact CD2-CE1 4.04Å; L430-F464 HydrophobicContact CD2-CE2 3.38Å; L430-F464 HydrophobicContact CD2-CZ 3.3Å; L430-F464 HydrophobicContact CG-CZ 4.2Å; L460-F464 HydrophobicContact CB-CD2 4Å; L460-F464 HydrophobicContact CB-CE2 3.73Å; L460-F464 HydrophobicContact CD1-CE2 4.1Å; S461-F464 PolarHBondContact O-N 3.3Å; S461-F464 VanDerWaalsContact O-O 3.05Å; F464-P467 HydrophobicContact CB-CB 4.48Å
465	K	95.9	Very high	95.7	Very high	11 Å²	11	32.6 Å²	32.6	5%	0.048	23%	0.225	C	C	.	.	S	Bend	trans	-74.2	-46.7	178.8	-64.1	-165.9	-170.3	79.4	0	111	D302 D303 F304 K305 T309 K356 V359 P467	D302-K465 PolarHBondContact O-N 3.37Å; D303-K465 HydrophobicContact CB-CB 4.24Å; D303-K465 HydrophobicContact CB-CD 4.48Å; D303-K465 HydrophobicContact CB-CG 4.35Å; D303-K465 PolarHBondContact O-N 2.94Å; D303-K465 IonicContact OD1-NZ 3.8Å; D303-K465 PolarHBondContact OD1-NZ 3.41Å; D303-K465 VanDerWaalsContact OD2-CD 3.23Å; D303-K465 WeakPolarHBondContact OD2-CD 3.46Å; D303-K465 WeakPolarHBondContact OD2-CE 3.47Å; D303-K465 IonicContact OD2-NZ 3.42Å; D303-K465 PolarHBondContact OD2-NZ 3.2Å; F304-K465 VanDerWaalsContact O-CE 3.22Å; F304-K465 WeakPolarHBondContact O-CE 3.46Å; F304-K465 WeakPolarHBondContact O-CG 3.31Å; F304-K465 PolarHBondContact O-NZ 3.13Å; K305-K465 HydrophobicContact CB-CG 4.16Å; T309-K465 HydrophobicContact CG2-CB 4.2Å; T309-K465 HydrophobicContact CG2-CD 3.8Å; T309-K465 HydrophobicContact CG2-CG 3.79Å; T309-K465 WeakPolarHBondContact OG1-CD 3.42Å; T309-K465 VanDerWaalsContact OG1-CE 3.29Å; T309-K465 WeakPolarHBondContact OG1-CE 3.46Å; K356-K465 HydrophobicContact CG-CD 4.11Å; V359-K465 WeakPolarHBondContact CG1-O 2.9Å; K465-P467 VanDerWaalsContact O-CD 3.3Å; K465-P467 WeakPolarHBondContact O-CD 3.14Å
466	A	94.3	Very high	95.6	Very high	22 Å²	22	33.5 Å²	33.5	18%	0.182	23%	0.23	C	C	.	.	S	Bend	trans	-117.1	77.1	179.7	0	0	0	0	0	108.7	G301 D302 T355 L468	G301-A466 CarbonylContact C-O 3.43Å; D302-A466 PolarHBondContact N-O 2.74Å; D302-A466 PolarHBondContact O-N 2.79Å; T355-A466 HydrophobicContact CG2-CB 3.63Å; A466-L468 PolarHBondContact O-N 3.41Å
467	P	94.6	Very high	95.4	Very high	7 Å²	7	33.3 Å²	33.3	5%	0.045	23%	0.229	C	C	.	.			trans	-65.9	130.6	-171.5	27	-33.6	0	0	0	111.8	G301 S461 F464 K465 V475	G301-P467 CarbonylContact O-C 3.56Å; G301-P467 VanDerWaalsContact O-CA 3.32Å; G301-P467 WeakPolarHBondContact O-CA 3.5Å; S461-P467 WeakPolarHBondContact OG-CB 3.37Å; F464-P467 HydrophobicContact CB-CB 4.48Å; K465-P467 VanDerWaalsContact O-CD 3.3Å; K465-P467 WeakPolarHBondContact O-CD 3.14Å; P467-V475 HydrophobicContact CG-CG1 4.03Å
468	L	94.6	Very high	95.3	Very high	42 Å²	42	33.1 Å²	33.1	22%	0.22	23%	0.228	C	C	.	.			trans	-70.7	138	166.4	-67.6	172	0	0	0	109.6	L284 G301 V456 A466	L284-L468 HydrophobicContact CB-CD1 3.87Å; L284-L468 HydrophobicContact CD1-CD1 3.23Å; L284-L468 HydrophobicContact CG-CD1 4.14Å; G301-L468 PolarHBondContact O-N 2.77Å; V456-L468 HydrophobicContact CG1-CB 3.67Å; V456-L468 WeakPolarHBondContact CG1-O 3.09Å; A466-L468 PolarHBondContact O-N 3.41Å
469	V	95.9	Very high	95.3	Very high	35 Å²	35	31.3 Å²	31.3	21%	0.212	21%	0.214	C	C	.	.			trans	-128.4	153.6	-179.6	-62.2	0	0	0	0	110.6	S473 V475	V469-S473 WeakPolarHBondContact CG2-O 3.36Å; V469-V475 HydrophobicContact CG1-CG2 4.22Å; V469-V475 HydrophobicContact CG2-CG2 3.8Å
470	P	95.7	Very high	95.2	Very high	19 Å²	19	36 Å²	36	12%	0.123	23%	0.234	C	C	.	.			trans	-54.5	146.7	172.7	-24.9	33.8	0	0	0	111.8	H454 G472 S473	H454-P470 HydrophobicContact CB-CB 4.48Å; H454-P470 HydrophobicContact CB-CG 3.96Å; P470-G472 PolarHBondContact O-N 3.49Å; P470-S473 VanDerWaalsContact O-CB 3.22Å; P470-S473 WeakPolarHBondContact O-CB 3.47Å; P470-S473 PolarHBondContact O-N 3.16Å; P470-S473 PolarHBondContact O-OG 3.1Å
471	P	91.8	Very high	95.1	Very high	115 Å²	115	42.6 Å²	42.6	75%	0.747	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	132.4	178	-27.7	35	0	0	0	112.5	S473	P471-S473 PolarHBondContact O-N 3.2Å
472	G	90.8	Very high	95.1	Very high	92 Å²	92	42.4 Å²	42.4	95%	0.948	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	-2.2	-178.7	0	0	0	0	0	115.5	P470	P470-G472 PolarHBondContact O-N 3.49Å
473	S	92.8	Very high	95.1	Very high	57 Å²	57	45.3 Å²	45.3	40%	0.399	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-86.2	146.3	173.3	-59.8	0	0	0	0	111.6	V469 P470 P471	V469-S473 WeakPolarHBondContact CG2-O 3.36Å; P470-S473 VanDerWaalsContact O-CB 3.22Å; P470-S473 WeakPolarHBondContact O-CB 3.47Å; P470-S473 PolarHBondContact O-N 3.16Å; P470-S473 PolarHBondContact O-OG 3.1Å; P471-S473 PolarHBondContact O-N 3.2Å
474	P	93.3	Very high	95	Very high	104 Å²	104	47.8 Å²	47.8	68%	0.675	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-72.1	145.6	174.3	30.5	-34.5	0	0	0	111.3
475	V	94.1	Very high	95	Very high	67 Å²	67	50.4 Å²	50.4	41%	0.406	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-78.8	131.3	166.1	177.6	0	0	0	0	108.5	P467 V469	P467-V475 HydrophobicContact CG-CG1 4.03Å; V469-V475 HydrophobicContact CG1-CG2 4.22Å; V469-V475 HydrophobicContact CG2-CG2 3.8Å
476	V	94.9	Very high	95.1	Very high	35 Å²	35	49.9 Å²	49.9	21%	0.212	30%	0.301	C	S	.	.			trans	-120.7	119.5	175.5	178.7	0	0	0	0	107.5	R481 Q482	V476-R481 HydrophobicContact CG1-CB 3.97Å; V476-Q482 HydrophobicContact CG1-CG 4.45Å; V476-Q482 PolarHBondContact O-NE2 3.43Å
477	N	94.7	Very high	95.3	Very high	4 Å²	4	50 Å²	50	2%	0.021	30%	0.298	C	S	.	.			trans	-105.1	-19	179.1	-62.6	-65.3	0	0	0	113.6	S313 S358 V359 D362 L479	S313-N477 WeakPolarHBondContact CB-O 3.45Å; S313-N477 PolarHBondContact OG-O 2.88Å; S358-N477 PolarHBondContact O-ND2 3.32Å; V359-N477 HydrophobicContact CB-CB 4.37Å; V359-N477 VanDerWaalsContact O-CB 3.26Å; V359-N477 WeakPolarHBondContact O-CB 3.39Å; D362-N477 VanDerWaalsContact OD1-CB 3.28Å; D362-N477 WeakPolarHBondContact OD1-CB 3.41Å; D362-N477 PolarHBondContact OD1-ND2 3.09Å; D362-N477 PolarHBondContact OD2-N 2.62Å; N477-L479 PolarHBondContact O-N 3.03Å; N477-L479 VanDerWaalsContact O-N 3.12Å
478	A	95.2	Very high	95.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.008	31%	0.307	C	S	.	.			trans	-55	115.7	177.2	0	0	0	0	0	111.4	D317 M363 F480 R481 Q482	D317-A478 HydrophobicContact CB-CB 4.36Å; M363-A478 HydrophobicContact CG-CB 4.47Å; M363-A478 HydrophobicContact SD-CB 3.88Å; A478-F480 PolarHBondContact O-N 2.93Å; A478-R481 HydrophobicContact CB-CB 4.2Å; A478-R481 HydrophobicContact CB-CG 4.09Å; A478-R481 PolarHBondContact O-N 3.19Å; A478-Q482 WeakPolarHBondContact O-CG 3.17Å; A478-Q482 PolarHBondContact O-N 2.85Å; A478-Q482 VanDerWaalsContact O-N 3.13Å
479	L	95.8	Very high	95.6	Very high	10 Å²	10	51.8 Å²	51.8	5%	0.052	31%	0.307	C	S	.	.	H	α-helix	trans	-62.3	-42.5	-164.5	-172.5	73	0	0	0	112.7	K305 K310 V314 F462 N477 Q482 R483	K305-L479 HydrophobicContact CD-CD1 3.83Å; K310-L479 HydrophobicContact CD-CD2 4.44Å; K310-L479 HydrophobicContact CG-CD1 3.97Å; K310-L479 HydrophobicContact CG-CD2 3.66Å; K310-L479 HydrophobicContact CG-CG 4.5Å; V314-L479 HydrophobicContact CG2-CB 3.91Å; V314-L479 HydrophobicContact CG2-CD2 3.4Å; V314-L479 HydrophobicContact CG2-CG 4.27Å; F462-L479 HydrophobicContact CD2-CD1 3.51Å; F462-L479 HydrophobicContact CD2-CG 3.94Å; F462-L479 HydrophobicContact CE2-CD1 3.51Å; F462-L479 HydrophobicContact CE2-CD2 4.12Å; F462-L479 HydrophobicContact CE2-CG 3.61Å; F462-L479 HydrophobicContact CG-CD1 4.34Å; F462-L479 HydrophobicContact CZ-CD1 4.33Å; N477-L479 PolarHBondContact O-N 3.03Å; N477-L479 VanDerWaalsContact O-N 3.12Å; L479-Q482 WeakPolarHBondContact O-CB 3.43Å; L479-Q482 PolarHBondContact O-N 3.46Å; L479-R483 PolarHBondContact O-N 2.96Å
480	F	95.6	Very high	95.6	Very high	110 Å²	110	50.4 Å²	50.4	48%	0.482	30%	0.298	S	S	.	.	H	α-helix	trans	-72.6	-32.8	-177.9	-70.5	-67.4	0	0	0	112.4	V314 A478 Q482 R483 S484	V314-F480 HydrophobicContact CG1-CE2 3.91Å; V314-F480 HydrophobicContact CG2-CE2 4.01Å; A478-F480 PolarHBondContact O-N 2.93Å; F480-Q482 VanDerWaalsContact C-N 3.3Å; F480-Q482 PolarHBondContact O-N 3.43Å; F480-R483 PolarHBondContact O-N 3.38Å; F480-S484 WeakPolarHBondContact O-CB 3.44Å; F480-S484 PolarHBondContact O-N 3.12Å; F480-S484 PolarHBondContact O-OG 3.36Å; F480-S484 VanDerWaalsContact O-OG 3.07Å
481	R	95.8	Very high	95.7	Very high	139 Å²	139	49.9 Å²	49.9	53%	0.525	29%	0.294	S	S	.	.	H	α-helix	trans	-61.7	-40.5	170.6	-66.1	-178.7	62.5	-164.2	-0.6	111.4	V476 A478 C485	V476-R481 HydrophobicContact CG1-CB 3.97Å; A478-R481 HydrophobicContact CB-CB 4.2Å; A478-R481 HydrophobicContact CB-CG 4.09Å; A478-R481 PolarHBondContact O-N 3.19Å; R481-C485 PolarHBondContact O-N 3.36Å
482	Q	97.4	Very high	96	Very high	9 Å²	9	44.5 Å²	44.5	4%	0.042	26%	0.259	C	S	.	.	H	α-helix	trans	-65.8	-43.4	175.2	-63	175.8	-31.6	0	0	111.9	K305 S461 F462 V476 A478 L479 F480 C485 I486	K305-Q482 VanDerWaalsContact NZ-NE2 3.12Å; S461-Q482 VanDerWaalsContact CB-NE2 3.33Å; S461-Q482 VanDerWaalsContact O-CD 3.31Å; S461-Q482 PolarHBondContact O-NE2 3.24Å; S461-Q482 PolarHBondContact O-OE1 3.17Å; F462-Q482 HydrophobicContact CB-CB 4Å; F462-Q482 HydrophobicContact CD2-CB 4.38Å; V476-Q482 HydrophobicContact CG1-CG 4.45Å; V476-Q482 PolarHBondContact O-NE2 3.43Å; A478-Q482 WeakPolarHBondContact O-CG 3.17Å; A478-Q482 PolarHBondContact O-N 2.85Å; A478-Q482 VanDerWaalsContact O-N 3.13Å; L479-Q482 WeakPolarHBondContact O-CB 3.43Å; L479-Q482 PolarHBondContact O-N 3.46Å; F480-Q482 VanDerWaalsContact C-N 3.3Å; F480-Q482 PolarHBondContact O-N 3.43Å; Q482-C485 WeakPolarHBondContact O-CB 3.38Å; Q482-C485 PolarHBondContact O-N 3.37Å; Q482-I486 PolarHBondContact O-N 3.34Å
483	R	97.2	Very high	96.4	Very high	70 Å²	70	40.1 Å²	40.1	26%	0.264	21%	0.214	S	C	.	.	H	α-helix	trans	-60.4	-48.5	174.8	179.9	179.2	173.4	142.6	-0.5	111.6	T107 F462 L479 F480 C485 I486 E487	T107-R483 PolarHBondContact O-NH2 3.35Å; F462-R483 HydrophobicContact CD2-CB 3.92Å; F462-R483 HydrophobicContact CE2-CB 3.88Å; L479-R483 PolarHBondContact O-N 2.96Å; F480-R483 PolarHBondContact O-N 3.38Å; R483-C485 PolarHBondContact O-N 2.93Å; R483-I486 PolarHBondContact O-N 2.8Å; R483-E487 PolarHBondContact O-N 3.27Å
484	S	97.3	Very high	96.6	Very high	53 Å²	53	37.5 Å²	37.5	37%	0.371	20%	0.196	S	C	.	.	H	α-helix	trans	-61.3	-33.2	178.6	-62.7	0	0	0	0	111.9	F480 E487 N488	F480-S484 WeakPolarHBondContact O-CB 3.44Å; F480-S484 PolarHBondContact O-N 3.12Å; F480-S484 PolarHBondContact O-OG 3.36Å; F480-S484 VanDerWaalsContact O-OG 3.07Å; S484-E487 PolarHBondContact O-N 3.04Å; S484-N488 WeakPolarHBondContact O-CB 3.32Å; S484-N488 PolarHBondContact O-N 2.96Å; S484-N488 PolarHBondContact O-ND2 2.93Å; S484-N488 VanDerWaalsContact O-ND2 3.1Å
485	C	97.4	Very high	96.7	Very high	57 Å²	57	33.5 Å²	33.5	39%	0.385	17%	0.173	S	C	.	.	H	α-helix	trans	-59.1	-51.1	173.2	-177.5	0	0	0	0	111.6	R481 Q482 R483 N488 I489	R481-C485 PolarHBondContact O-N 3.36Å; Q482-C485 WeakPolarHBondContact O-CB 3.38Å; Q482-C485 PolarHBondContact O-N 3.37Å; R483-C485 PolarHBondContact O-N 2.93Å; C485-N488 PolarHBondContact O-N 3.08Å; C485-I489 WeakPolarHBondContact O-CG1 3.26Å; C485-I489 PolarHBondContact O-N 3.14Å
486	I	98.1	Very high	96.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.8	-51.4	178.2	-56.9	170.8	0	0	0	109.6	L102 F123 L433 L459 F462 Q482 R483 N488 I489 L490	L102-I486 HydrophobicContact CD2-CD1 4.07Å; F123-I486 HydrophobicContact CE1-CG2 3.88Å; F123-I486 HydrophobicContact CZ-CB 4.26Å; F123-I486 HydrophobicContact CZ-CG2 3.57Å; L433-I486 HydrophobicContact CD1-CD1 4.15Å; L433-I486 HydrophobicContact CD1-CG2 4.37Å; L433-I486 HydrophobicContact CD2-CG2 4.08Å; L459-I486 HydrophobicContact CD2-CG1 4.03Å; L459-I486 HydrophobicContact CD2-CG2 4.26Å; L459-I486 HydrophobicContact CG-CG1 4.12Å; L459-I486 WeakPolarHBondContact O-CG1 3.34Å; F462-I486 HydrophobicContact CB-CD1 3.68Å; F462-I486 HydrophobicContact CG-CD1 4.3Å; Q482-I486 PolarHBondContact O-N 3.34Å; R483-I486 PolarHBondContact O-N 2.8Å; I486-N488 PolarHBondContact O-N 3.37Å; I486-I489 PolarHBondContact O-N 3.11Å; I486-L490 HydrophobicContact CG2-CD1 4.28Å; I486-L490 WeakPolarHBondContact O-CG 3.48Å; I486-L490 PolarHBondContact O-N 2.71Å; I486-L490 VanDerWaalsContact O-N 3.08Å
487	E	97.7	Very high	96.8	Very high	24 Å²	24	34 Å²	34	11%	0.112	18%	0.177	C	C	.	.	H	α-helix	trans	-57.4	-48.8	-179.5	-175.4	179.5	145.7	0	0	111.9	V108 F123 R483 S484 I489 L490 R491	V108-E487 HydrophobicContact CG1-CG 3.76Å; V108-E487 WeakPolarHBondContact CG1-OE1 3.28Å; V108-E487 HydrophobicContact CG2-CG 3.98Å; F123-E487 HydrophobicContact CE2-CB 4.43Å; R483-E487 PolarHBondContact O-N 3.27Å; S484-E487 PolarHBondContact O-N 3.04Å; E487-I489 VanDerWaalsContact C-N 3.34Å; E487-I489 PolarHBondContact O-N 3.04Å; E487-L490 PolarHBondContact O-N 2.83Å; E487-R491 HydrophobicContact CG-CG 4.38Å; E487-R491 WeakPolarHBondContact O-CB 3.46Å; E487-R491 VanDerWaalsContact O-CG 3.23Å; E487-R491 WeakPolarHBondContact O-CG 3.25Å; E487-R491 PolarHBondContact O-N 3.12Å
488	N	97.7	Very high	96.9	Very high	46 Å²	46	36.3 Å²	36.3	25%	0.246	19%	0.192	C	C	.	.	H	α-helix	trans	-67	-33.7	-177.1	-69.4	-23.7	0	0	0	112.7	S484 C485 I486 A492 P498	S484-N488 WeakPolarHBondContact O-CB 3.32Å; S484-N488 PolarHBondContact O-N 2.96Å; S484-N488 PolarHBondContact O-ND2 2.93Å; S484-N488 VanDerWaalsContact O-ND2 3.1Å; C485-N488 PolarHBondContact O-N 3.08Å; I486-N488 PolarHBondContact O-N 3.37Å; N488-A492 WeakPolarHBondContact O-CB 3.45Å; N488-A492 PolarHBondContact O-N 3.08Å; N488-P498 HydrophobicContact CB-CG 4.44Å; N488-P498 WeakPolarHBondContact OD1-CA 3.49Å; N488-P498 WeakPolarHBondContact OD1-CB 3.48Å
489	I	97.7	Very high	96.7	Very high	40 Å²	40	38.6 Å²	38.6	21%	0.205	20%	0.202	C	C	.	.	H	α-helix	trans	-67	-44	173.9	-73.4	170.9	0	0	0	110.5	F453 L459 C485 I486 E487 R491 A492 C493	F453-I489 HydrophobicContact CE1-CG2 4.32Å; F453-I489 HydrophobicContact CZ-CG2 3.84Å; L459-I489 HydrophobicContact CD1-CB 4.21Å; L459-I489 HydrophobicContact CD1-CD1 3.67Å; L459-I489 HydrophobicContact CD1-CG2 3.89Å; C485-I489 WeakPolarHBondContact O-CG1 3.26Å; C485-I489 PolarHBondContact O-N 3.14Å; I486-I489 PolarHBondContact O-N 3.11Å; E487-I489 VanDerWaalsContact C-N 3.34Å; E487-I489 PolarHBondContact O-N 3.04Å; I489-R491 VanDerWaalsContact C-N 3.34Å; I489-R491 PolarHBondContact O-N 2.91Å; I489-A492 PolarHBondContact O-N 3.23Å; I489-C493 PolarHBondContact O-N 3.16Å; I489-C493 PolarHBondContact O-SG 3.38Å
490	L	97.8	Very high	96.5	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.037	23%	0.225	C	C	.	.	H	α-helix	trans	-64.4	-39.6	176.5	-63.2	-176.5	0	0	0	112	F123 L126 L127 L436 I486 E487 C493	F123-L490 HydrophobicContact CD1-CD1 4.06Å; F123-L490 HydrophobicContact CE1-CD1 3.32Å; F123-L490 HydrophobicContact CZ-CD1 3.83Å; L126-L490 HydrophobicContact CB-CB 4.3Å; L126-L490 HydrophobicContact CD1-CB 3.77Å; L126-L490 HydrophobicContact CD1-CD1 4.17Å; L127-L490 HydrophobicContact CD1-CB 4.49Å; L127-L490 HydrophobicContact CD1-CD2 3.51Å; L127-L490 HydrophobicContact CG-CD2 4.39Å; L436-L490 HydrophobicContact CD2-CD2 3.5Å; L436-L490 HydrophobicContact CG-CD2 4.47Å; I486-L490 HydrophobicContact CG2-CD1 4.28Å; I486-L490 WeakPolarHBondContact O-CG 3.48Å; I486-L490 PolarHBondContact O-N 2.71Å; I486-L490 VanDerWaalsContact O-N 3.08Å; E487-L490 PolarHBondContact O-N 2.83Å; L490-C493 WeakPolarHBondContact O-CB 3.37Å; L490-C493 PolarHBondContact O-N 3.33Å
491	R	97.6	Very high	96.3	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-44	173.2	-71	176.2	75.4	83	3.7	111.7	N109 E487 I489 C493 V494 G495 L496 P497	N109-R491 PolarHBondContact O-NH1 3.35Å; E487-R491 HydrophobicContact CG-CG 4.38Å; E487-R491 WeakPolarHBondContact O-CB 3.46Å; E487-R491 VanDerWaalsContact O-CG 3.23Å; E487-R491 WeakPolarHBondContact O-CG 3.25Å; E487-R491 PolarHBondContact O-N 3.12Å; I489-R491 VanDerWaalsContact C-N 3.34Å; I489-R491 PolarHBondContact O-N 2.91Å; R491-C493 VanDerWaalsContact C-N 3.28Å; R491-C493 PolarHBondContact O-N 3.06Å; R491-V494 CarbonylContact O-C 3.54Å; R491-V494 WeakPolarHBondContact O-CG2 3.36Å; R491-V494 PolarHBondContact O-N 3.07Å; R491-G495 PolarHBondContact O-N 3.2Å; R491-G495 VanDerWaalsContact O-N 3.11Å; R491-L496 CarbonylContact C-O 3.54Å; R491-L496 HydrophobicContact CB-CB 3.95Å; R491-L496 HydrophobicContact CG-CB 4.43Å; R491-L496 PolarHBondContact O-N 2.91Å; R491-P497 PolarHBondContact NE-O 2.69Å; R491-P497 PolarHBondContact NH2-O 2.92Å; R491-P497 VanDerWaalsContact NH2-O 3.13Å
492	A	97.8	Very high	96	Very high	3 Å²	3	41.9 Å²	41.9	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-35.9	176.6	0	0	0	0	0	112.5	Y25 F50 N488 I489 V494 G495	Y25-A492 HydrophobicContact CD1-CB 3.89Å; Y25-A492 HydrophobicContact CD2-CB 3.74Å; Y25-A492 HydrophobicContact CE1-CB 3.96Å; Y25-A492 HydrophobicContact CE2-CB 3.82Å; Y25-A492 HydrophobicContact CG-CB 3.78Å; F50-A492 HydrophobicContact CD2-CB 4.34Å; F50-A492 HydrophobicContact CE2-CB 3.89Å; F50-A492 HydrophobicContact CZ-CB 4.25Å; N488-A492 WeakPolarHBondContact O-CB 3.45Å; N488-A492 PolarHBondContact O-N 3.08Å; I489-A492 PolarHBondContact O-N 3.23Å; A492-V494 PolarHBondContact O-N 3.49Å; A492-G495 PolarHBondContact O-N 3.11Å
493	C	97.9	Very high	95.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.4	175.5	-65.5	0	0	0	0	113.8	A23 L127 I489 L490 R491	A23-C493 WeakPolarHBondContact CB-O 3.35Å; L127-C493 HydrophobicContact CD1-CB 3.59Å; L127-C493 HydrophobicContact CD2-CB 3.96Å; L127-C493 HydrophobicContact CG-CB 4.31Å; I489-C493 PolarHBondContact O-N 3.16Å; I489-C493 PolarHBondContact O-SG 3.38Å; L490-C493 WeakPolarHBondContact O-CB 3.37Å; L490-C493 PolarHBondContact O-N 3.33Å; R491-C493 VanDerWaalsContact C-N 3.28Å; R491-C493 PolarHBondContact O-N 3.06Å
494	V	97	Very high	95.1	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	18.7	172.7	-61.3	0	0	0	0	112.4	V9 V14 L126 L127 R491 A492 L496	V9-V494 WeakPolarHBondContact CG1-O 3.5Å; V9-V494 HydrophobicContact CG2-CB 3.96Å; V9-V494 HydrophobicContact CG2-CG2 4.08Å; V9-V494 WeakPolarHBondContact CG2-O 3.39Å; V14-V494 WeakPolarHBondContact CG2-O 3.42Å; L126-V494 WeakPolarHBondContact O-CG1 3.29Å; L127-V494 HydrophobicContact CD2-CG1 3.54Å; L127-V494 HydrophobicContact CG-CG1 4.45Å; R491-V494 CarbonylContact O-C 3.54Å; R491-V494 WeakPolarHBondContact O-CG2 3.36Å; R491-V494 PolarHBondContact O-N 3.07Å; A492-V494 PolarHBondContact O-N 3.49Å; V494-L496 VanDerWaalsContact C-N 3.26Å; V494-L496 HydrophobicContact CG2-CB 4.4Å; V494-L496 HydrophobicContact CG2-CD1 3.92Å; V494-L496 HydrophobicContact CG2-CG 4.01Å; V494-L496 PolarHBondContact O-N 2.87Å
495	G	96.2	Very high	94.3	Very high	19 Å²	19	47 Å²	47	20%	0.196	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	71	11.7	175.2	0	0	0	0	0	115.7	R491 A492	R491-G495 PolarHBondContact O-N 3.2Å; R491-G495 VanDerWaalsContact O-N 3.11Å; A492-G495 PolarHBondContact O-N 3.11Å
496	L	96.5	Very high	93.6	Very high	33 Å²	33	49.7 Å²	49.7	17%	0.173	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-87.3	138.9	178.1	-68.1	176.2	0	0	0	111.5	V9 L110 R491 V494	V9-L496 HydrophobicContact CG1-CD2 3.93Å; V9-L496 HydrophobicContact CG1-CG 4.34Å; V9-L496 HydrophobicContact CG2-CD1 4.01Å; V9-L496 HydrophobicContact CG2-CD2 4.13Å; V9-L496 HydrophobicContact CG2-CG 3.9Å; L110-L496 HydrophobicContact CD2-CD1 4.17Å; R491-L496 CarbonylContact C-O 3.54Å; R491-L496 HydrophobicContact CB-CB 3.95Å; R491-L496 HydrophobicContact CG-CB 4.43Å; R491-L496 PolarHBondContact O-N 2.91Å; V494-L496 VanDerWaalsContact C-N 3.26Å; V494-L496 HydrophobicContact CG2-CB 4.4Å; V494-L496 HydrophobicContact CG2-CD1 3.92Å; V494-L496 HydrophobicContact CG2-CG 4.01Å; V494-L496 PolarHBondContact O-N 2.87Å
497	P	95.6	Very high	93.1	Very high	81 Å²	81	56.6 Å²	56.6	53%	0.526	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-72.2	160.8	174.5	31.3	-35.5	0	0	0	111.7	R491	R491-P497 PolarHBondContact NE-O 2.69Å; R491-P497 PolarHBondContact NH2-O 2.92Å; R491-P497 VanDerWaalsContact NH2-O 3.13Å
498	P	95.2	Very high	92.5	Very high	52 Å²	52	60.7 Å²	60.7	34%	0.338	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-57.7	148.6	169.4	-24.8	36.6	0	0	0	112	Y25 N488 N500	Y25-P498 VanDerWaalsContact OH-CD 3.26Å; Y25-P498 WeakPolarHBondContact OH-CD 3.49Å; Y25-P498 WeakPolarHBondContact OH-CG 3.39Å; N488-P498 HydrophobicContact CB-CG 4.44Å; N488-P498 WeakPolarHBondContact OD1-CA 3.49Å; N488-P498 WeakPolarHBondContact OD1-CB 3.48Å; P498-N500 PolarHBondContact O-N 2.99Å
499	Q	92.3	Very high	91.8	Very high	49 Å²	49	68 Å²	68	23%	0.229	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-68.9	126.4	171.6	-71	-65.5	-9.5	0	0	110.3	N109	N109-Q499 PolarHBondContact O-NE2 3.26Å
500	N	90.9	Very high	91	Very high	100 Å²	100	76.1 Å²	76.1	54%	0.535	37%	0.372	S	S	.	.			trans	-101.4	-15.7	-176.1	63.8	56.3	0	0	0	113.8	P498 M502	P498-N500 PolarHBondContact O-N 2.99Å; N500-M502 HydrophobicContact CB-CE 4.07Å; N500-M502 HydrophobicContact CB-CG 4.09Å; N500-M502 PolarHBondContact O-N 2.9Å; N500-M502 VanDerWaalsContact OD1-CB 3.28Å; N500-M502 WeakPolarHBondContact OD1-CB 3.39Å; N500-M502 WeakPolarHBondContact OD1-CG 3.41Å; N500-M502 PolarHBondContact OD1-N 2.94Å
501	H	90.6	Very high	89.4	Confident	135 Å²	135	81.1 Å²	81.1	63%	0.625	40%	0.404	S	S	*	.			trans	54.2	17.9	-178.3	-51.3	-68.8	0	0	0	115.1
502	M	90.8	Very high	87.5	Confident	93 Å²	93	82.8 Å²	82.8	46%	0.458	42%	0.424	S	S	.	.			trans	-73	-36.9	-178.4	-63.1	-170.6	-69.3	0	0	111.5	N500 L504 K507	N500-M502 HydrophobicContact CB-CE 4.07Å; N500-M502 HydrophobicContact CB-CG 4.09Å; N500-M502 PolarHBondContact O-N 2.9Å; N500-M502 VanDerWaalsContact OD1-CB 3.28Å; N500-M502 WeakPolarHBondContact OD1-CB 3.39Å; N500-M502 WeakPolarHBondContact OD1-CG 3.41Å; N500-M502 PolarHBondContact OD1-N 2.94Å; M502-L504 HydrophobicContact CB-CD2 4.17Å; M502-L504 HydrophobicContact CB-CG 3.85Å; M502-L504 HydrophobicContact CE-CD1 4.3Å; M502-L504 PolarHBondContact O-N 2.95Å; M502-L504 HydrophobicContact SD-CD1 4.33Å; M502-K507 VanDerWaalsContact O-CD 3.31Å; M502-K507 WeakPolarHBondContact O-CD 3.31Å; M502-K507 WeakPolarHBondContact O-CE 3.44Å; M502-K507 PolarHBondContact O-NZ 2.81Å
503	L	87.4	Confident	85.5	Confident	69 Å²	69	91.7 Å²	91.7	36%	0.361	47%	0.47	S	S	.	.			trans	47.8	44.1	-179.9	-60.7	176.1	0	0	0	112	E505 H506 K507	L503-E505 VanDerWaalsContact C-OE2 3.23Å; L503-E505 WeakPolarHBondContact CA-OE2 3.38Å; L503-E505 PolarHBondContact O-N 3.46Å; L503-H506 PolarHBondContact O-N 3.18Å; L503-K507 PolarHBondContact O-N 3.18Å
504	L	87.3	Confident	83.3	Confident	84 Å²	84	95.3 Å²	95.3	44%	0.44	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-63.6	-31.3	-172.8	-66.1	-179.8	0	0	0	111.9	M502 H506 K507 M508	M502-L504 HydrophobicContact CB-CD2 4.17Å; M502-L504 HydrophobicContact CB-CG 3.85Å; M502-L504 HydrophobicContact CE-CD1 4.3Å; M502-L504 PolarHBondContact O-N 2.95Å; M502-L504 HydrophobicContact SD-CD1 4.33Å; L504-H506 PolarHBondContact O-N 3.26Å; L504-H506 VanDerWaalsContact O-N 3.09Å; L504-K507 PolarHBondContact O-N 2.83Å; L504-M508 VanDerWaalsContact O-CG 3.27Å; L504-M508 WeakPolarHBondContact O-CG 3.21Å; L504-M508 PolarHBondContact O-N 2.93Å; L504-M508 VanDerWaalsContact O-N 3.1Å
505	E	81.6	Confident	81	Confident	85 Å²	85	99.8 Å²	99.8	40%	0.397	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-52.8	-25.8	171	61.3	-85.9	-159.7	0	0	113.6	L112 L503 I515	L112-E505 HydrophobicContact CD1-CG 4.39Å; L503-E505 VanDerWaalsContact C-OE2 3.23Å; L503-E505 WeakPolarHBondContact CA-OE2 3.38Å; L503-E505 PolarHBondContact O-N 3.46Å; E505-I515 HydrophobicContact CB-CD1 3.89Å
506	H	83.1	Confident	78.4	Confident	114 Å²	114	108.4 Å²	108.4	53%	0.528	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-102.8	-5.2	176.4	-58.7	-51.9	0	0	0	113.5	L503 L504	L503-H506 PolarHBondContact O-N 3.18Å; L504-H506 PolarHBondContact O-N 3.26Å; L504-H506 VanDerWaalsContact O-N 3.09Å
507	K	86.6	Confident	75.9	Confident	145 Å²	145	115.1 Å²	115.1	63%	0.63	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	1.5	-177.9	-63.5	177	-176.5	170	0	113.2	M502 L503 L504	M502-K507 VanDerWaalsContact O-CD 3.31Å; M502-K507 WeakPolarHBondContact O-CD 3.31Å; M502-K507 WeakPolarHBondContact O-CE 3.44Å; M502-K507 PolarHBondContact O-NZ 2.81Å; L503-K507 PolarHBondContact O-N 3.18Å; L504-K507 PolarHBondContact O-N 2.83Å
508	M	84.2	Confident	73.2	Confident	111 Å²	111	114.7 Å²	114.7	55%	0.547	60%	0.603	S	S	.	*			trans	-102.9	131.4	177.8	-69.8	177.4	67.5	0	0	110.7	L504 R510	L504-M508 VanDerWaalsContact O-CG 3.27Å; L504-M508 WeakPolarHBondContact O-CG 3.21Å; L504-M508 PolarHBondContact O-N 2.93Å; L504-M508 VanDerWaalsContact O-N 3.1Å; M508-R510 VanDerWaalsContact C-N 3.31Å
509	E	83.4	Confident	70.1	Confident	200 Å²	200	121.7 Å²	121.7	94%	0.935	63%	0.631	S	S	*	*	S	Bend	trans	-68.3	-31.3	174.9	-67.6	-179.5	171.1	0	0	112.7
510	R	81.4	Confident	67.4	Low	210 Å²	210	128 Å²	128	79%	0.792	66%	0.663	S	S	*	*	S	Bend	trans	-97.6	120.1	176.5	-62.7	-178.5	-172.9	176.2	1.9	108.4	M508 G512	M508-R510 VanDerWaalsContact C-N 3.31Å; R510-G512 PolarHBondContact O-N 2.87Å
511	P	63.3	Low	64.4	Low	111 Å²	111	127.5 Å²	127.5	72%	0.721	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-60.6	127	177.4	21.1	-28.5	0	0	0	109.5
512	G	58.9	Low	61.4	Low	42 Å²	42	128 Å²	128	43%	0.433	69%	0.686	S	S	.	*	P	Polyproline II helix	trans	-61	157.2	171.4	0	0	0	0	0	110.9	R510 G514 I515	R510-G512 PolarHBondContact O-N 2.87Å; G512-G514 PolarHBondContact O-N 2.81Å; G512-I515 PolarHBondContact O-N 2.81Å
513	L	55	Low	58.5	Low	191 Å²	191	131.2 Å²	131.2	100%	1	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.8	-3.3	-174.6	-86.6	148.8	0	0	0	116.6
514	G	52.7	Low	55.7	Low	75 Å²	75	132.9 Å²	132.9	77%	0.773	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	-8.6	-173.2	0	0	0	0	0	117	G512	G512-G514 PolarHBondContact O-N 2.81Å
515	I	48.5	Very low	53	Low	97 Å²	97	134.6 Å²	134.6	50%	0.497	74%	0.737	S	S	.	*			trans	-114.2	71.8	-179.1	-49.2	178.1	0	0	0	108.9	E505 G512 Q517	E505-I515 HydrophobicContact CB-CD1 3.89Å; G512-I515 PolarHBondContact O-N 2.81Å; I515-Q517 PolarHBondContact O-N 2.89Å
516	K	42.1	Very low	50.4	Low	199 Å²	199	139 Å²	139	87%	0.865	76%	0.762	S	S	*	*			trans	-75.1	104.7	157.2	-75.3	-171.1	177	-174.1	0	106.3	G518	K516-G518 PolarHBondContact O-N 2.95Å
517	Q	43.3	Very low	47.8	Very low	174 Å²	174	142.1 Å²	142.1	81%	0.813	78%	0.777	S	S	*	*			trans	-47.5	125.1	163	-77.8	177.5	-18.6	0	0	107.6	I515 E519	I515-Q517 PolarHBondContact O-N 2.89Å; Q517-E519 PolarHBondContact O-N 2.81Å
518	G	37.9	Very low	45	Very low	73 Å²	73	145 Å²	145	75%	0.753	79%	0.792	S	S	*	*			trans	-54.4	113.8	-175.1	0	0	0	0	0	111.5	K516 M520	K516-G518 PolarHBondContact O-N 2.95Å; G518-M520 VanDerWaalsContact C-N 3.29Å; G518-M520 PolarHBondContact O-N 2.88Å
519	E	31.9	Very low	42.3	Very low	198 Å²	198	149.1 Å²	149.1	93%	0.925	81%	0.807	S	S	*	*			trans	-66.5	95.5	156.7	-77.9	-178.6	153.7	0	0	106.9	Q517 A521	Q517-E519 PolarHBondContact O-N 2.81Å; E519-A521 PolarHBondContact O-N 2.93Å
520	M	33.8	Very low	39.7	Very low	181 Å²	181	150 Å²	150	89%	0.892	80%	0.802	S	S	*	*			trans	-62.6	115.8	161.1	-84.7	-169.7	-171.9	0	0	107.7	G518 T522	G518-M520 VanDerWaalsContact C-N 3.29Å; G518-M520 PolarHBondContact O-N 2.88Å; M520-T522 PolarHBondContact O-N 2.83Å; M520-T522 VanDerWaalsContact O-N 3.16Å
521	A	29.8	Very low	37.1	Very low	91 Å²	91	147.5 Å²	147.5	75%	0.752	80%	0.799	S	S	*	*			trans	-49.7	120.6	166.1	0	0	0	0	0	109.6	E519 I523	E519-A521 PolarHBondContact O-N 2.93Å; A521-I523 PolarHBondContact O-N 2.83Å
522	T	26.4	Very low	35.4	Very low	144 Å²	144	147.2 Å²	147.2	88%	0.883	80%	0.8	S	S	*	*			trans	-63.4	110.2	175.8	35.3	0	0	0	0	110.2	M520	M520-T522 PolarHBondContact O-N 2.83Å; M520-T522 VanDerWaalsContact O-N 3.16Å
523	I	30.8	Very low	34	Very low	162 Å²	162	152 Å²	152	83%	0.831	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-102.1	122.8	159.5	-60.8	178.8	0	0	0	107	A521	A521-I523 PolarHBondContact O-N 2.83Å
524	S	28	Very low	32.8	Very low	103 Å²	103	149 Å²	149	72%	0.72	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-63.4	152.8	-174.1	72.1	0	0	0	0	113.7
525	P	30.1	Very low	31.7	Very low	121 Å²	121	149.7 Å²	149.7	79%	0.786	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-87.6	135	-176.4	33	-30.7	0	0	0	113.3
526	L	27.8	Very low	30.9	Very low	178 Å²	178	150.3 Å²	150.3	93%	0.932	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-92.2	124.6	158.8	-91.1	158.5	0	0	0	109
527	Q	28.4	Very low	30.3	Very low	178 Å²	178	147 Å²	147	83%	0.832	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-69.6	137.9	178.9	-68.9	175.3	-20.6	0	0	111.8
528	H	28.5	Very low	29.7	Very low	205 Å²	205	146.9 Å²	146.9	95%	0.949	83%	0.832	S	S	*	*			trans	-149	134.5	140.9	-101.1	-66.6	0	0	0	111.6
529	K	27.2	Very low	29.4	Very low	199 Å²	199	146.6 Å²	146.6	87%	0.865	83%	0.829	S	S	*	*			trans	-86.1	160	-179.3	-100	178.1	170.8	176.6	0	112.8
530	R	28.8	Very low	29.5	Very low	217 Å²	217	143.4 Å²	143.4	82%	0.819	83%	0.827	S	S	*	*			trans	102.3	138.8	163.3	-72.6	-174.5	150.4	154.8	1.8	114.2
531	E	26.2	Very low	29.9	Very low	158 Å²	158	141.1 Å²	141.1	74%	0.738	82%	0.824	S	S	*	*			cis	-163.1	159.3	-3.1	-119.6	160	-152.7	0	0	106.6
532	S	28.3	Very low	30.7	Very low	106 Å²	106	140.3 Å²	140.3	74%	0.741	83%	0.825	S	S	*	*			trans	-85.2	144.9	-170.6	51.4	0	0	0	0	115.3
533	T	28.7	Very low	31.5	Very low	141 Å²	141	136.8 Å²	136.8	87%	0.865	80%	0.801	S	S	*	*			trans	-163.4	147.5	138.3	0.2	0	0	0	0	110.8
534	P	30.3	Very low	32.7	Very low	129 Å²	129	134.1 Å²	134.1	84%	0.838	80%	0.802	S	S	*	*			trans	-95.9	135	-158.9	35.2	-29.1	0	0	0	112.9
535	A	28.5	Very low	34.1	Very low	90 Å²	90	135.9 Å²	135.9	74%	0.744	80%	0.804	S	S	*	*			trans	-113.3	126.6	162.3	0	0	0	0	0	108.5	T537	A535-T537 PolarHBondContact O-N 3.21Å
536	A	31.6	Very low	35.3	Very low	109 Å²	109	133.6 Å²	133.6	90%	0.901	80%	0.803	S	S	*	*			trans	-57.2	115.8	-176.3	0	0	0	0	0	111.8
537	T	30	Very low	36.9	Very low	129 Å²	129	132.4 Å²	132.4	79%	0.791	79%	0.792	S	S	*	*			trans	-94.3	115.1	167.7	48.4	0	0	0	0	108.8	A535 G539	A535-T537 PolarHBondContact O-N 3.21Å; T537-G539 PolarHBondContact O-N 2.75Å
538	N	30.8	Very low	38.3	Very low	172 Å²	172	129.8 Å²	129.8	92%	0.92	79%	0.788	S	S	*	*			trans	-57.4	103	159.2	-85.2	-15.8	0	0	0	107.9	C540	N538-C540 PolarHBondContact O-N 2.85Å; N538-C540 VanDerWaalsContact O-N 3.08Å
539	G	31.8	Very low	39.5	Very low	67 Å²	67	128 Å²	128	69%	0.691	78%	0.78	S	S	*	*			trans	-73.3	92.5	175.6	0	0	0	0	0	110.8	T537	T537-G539 PolarHBondContact O-N 2.75Å
540	C	34.4	Very low	40.4	Very low	131 Å²	131	122.6 Å²	122.6	89%	0.885	77%	0.773	S	S	*	*			trans	-104.6	77.6	147.7	-88.2	0	0	0	0	107.1	N538 G542	N538-C540 PolarHBondContact O-N 2.85Å; N538-C540 VanDerWaalsContact O-N 3.08Å; C540-G542 PolarHBondContact O-N 3.25Å
541	T	42.2	Very low	41.3	Very low	133 Å²	133	118 Å²	118	82%	0.816	77%	0.771	S	S	*	*			trans	-69.1	117.4	159.8	44.7	0	0	0	0	106.8	D543	T541-D543 PolarHBondContact O-N 3.26Å
542	G	45.8	Very low	42.1	Very low	75 Å²	75	116.7 Å²	116.7	77%	0.773	77%	0.774	S	S	*	*			trans	-67.1	111.1	-173.6	0	0	0	0	0	112.4	C540	C540-G542 PolarHBondContact O-N 3.25Å
543	D	44.4	Very low	42.5	Very low	70 Å²	70	117.1 Å²	117.1	37%	0.374	77%	0.774	S	S	.	*			trans	-127.2	99.5	151.3	-85.3	-34.8	0	0	0	106.5	T541 N545 G546	T541-D543 PolarHBondContact O-N 3.26Å; D543-N545 PolarHBondContact O-N 3.35Å; D543-N545 VanDerWaalsContact O-N 3.11Å; D543-G546 PolarHBondContact O-N 3.39Å
544	A	54	Low	43	Very low	105 Å²	105	119.6 Å²	119.6	87%	0.868	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-12.1	-171.5	0	0	0	0	0	114.2
545	N	58.4	Low	43.5	Very low	140 Å²	140	119.6 Å²	119.6	75%	0.749	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	12.2	-174.5	-65.4	-19.3	0	0	0	113.8	D543 H547	D543-N545 PolarHBondContact O-N 3.35Å; D543-N545 VanDerWaalsContact O-N 3.11Å; N545-H547 PolarHBondContact O-CD2 2.8Å; N545-H547 PolarHBondContact O-N 2.98Å
546	G	55.5	Low	43.8	Very low	74 Å²	74	120.3 Å²	120.3	76%	0.763	77%	0.773	S	S	*	*	S	Bend	trans	67.3	3.5	176.2	0	0	0	0	0	115.8	D543	D543-G546 PolarHBondContact O-N 3.39Å
547	H	60.3	Low	44.3	Very low	153 Å²	153	121.6 Å²	121.6	71%	0.708	77%	0.77	S	S	*	*			trans	-97.4	117.5	170.7	-66.6	-67.3	0	0	0	109	N545 Q549	N545-H547 PolarHBondContact O-CD2 2.8Å; N545-H547 PolarHBondContact O-N 2.98Å; H547-Q549 PolarHBondContact O-N 2.93Å
548	T	59	Low	44.6	Very low	123 Å²	123	123.5 Å²	123.5	76%	0.755	80%	0.799	S	S	*	*			trans	-63.1	125.7	168.6	40.9	0	0	0	0	109.4	A550	T548-A550 PolarHBondContact O-N 3.06Å; T548-A550 VanDerWaalsContact O-N 3.1Å
549	Q	53.3	Low	45.3	Very low	166 Å²	166	121.1 Å²	121.1	78%	0.776	79%	0.793	S	S	*	*			trans	-59.7	115.9	166.6	-66	-167.4	2.9	0	0	108.6	H547	H547-Q549 PolarHBondContact O-N 2.93Å
550	A	45.6	Very low	46	Very low	86 Å²	86	123.9 Å²	123.9	71%	0.711	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-61.1	134.1	174.2	0	0	0	0	0	108.6	T548 T552	T548-A550 PolarHBondContact O-N 3.06Å; T548-A550 VanDerWaalsContact O-N 3.1Å; A550-T552 PolarHBondContact O-N 2.82Å
551	P	47.4	Very low	46.7	Very low	122 Å²	122	123.5 Å²	123.5	79%	0.792	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-59	130.8	174.2	22.9	-30	0	0	0	108.7
552	T	43.1	Very low	46.9	Very low	129 Å²	129	122.9 Å²	122.9	79%	0.791	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-52.2	129	173.5	1.5	0	0	0	0	108.4	A550 E554	A550-T552 PolarHBondContact O-N 2.82Å; T552-E554 PolarHBondContact O-N 2.78Å; T552-E554 VanDerWaalsContact O-N 3.11Å
553	P	38.3	Very low	47	Very low	116 Å²	116	125.9 Å²	125.9	75%	0.753	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-63.2	119.9	178.9	23.3	-29.8	0	0	0	108.8	V555	P553-V555 PolarHBondContact O-N 3.17Å
554	E	37.8	Very low	47.2	Very low	192 Å²	192	129.7 Å²	129.7	90%	0.897	82%	0.821	S	S	*	*			trans	-58.1	109.9	166.7	-75.4	-175.4	163.9	0	0	107.7	T552 S556	T552-E554 PolarHBondContact O-N 2.78Å; T552-E554 VanDerWaalsContact O-N 3.11Å; E554-S556 PolarHBondContact O-N 3.22Å
555	V	40.6	Very low	46.7	Very low	129 Å²	129	131.4 Å²	131.4	78%	0.782	82%	0.817	S	S	*	*			trans	-68.7	99.9	166.7	178.9	0	0	0	0	106.1	P553 T557	P553-V555 PolarHBondContact O-N 3.17Å; V555-T557 PolarHBondContact O-N 3.23Å
556	S	35.2	Very low	45.8	Very low	106 Å²	106	130.8 Å²	130.8	74%	0.741	82%	0.823	S	S	*	*			trans	-66.1	106	170.8	65.6	0	0	0	0	108.8	E554 A558	E554-S556 PolarHBondContact O-N 3.22Å; S556-A558 PolarHBondContact O-N 2.85Å
557	T	43.1	Very low	45	Very low	135 Å²	135	135.5 Å²	135.5	83%	0.828	83%	0.828	S	S	*	*			trans	-78.3	105.5	160.6	47.3	0	0	0	0	109.1	V555	V555-T557 PolarHBondContact O-N 3.23Å
558	A	36.2	Very low	43.6	Very low	169 Å²	169	133.9 Å²	133.9	100%	1.397	84%	0.838	S	S	*	*			trans	141.8	0	151.5	0	0	0	0	0	111.2	S556	S556-A558 PolarHBondContact O-N 2.85Å

Retrieved 558 of 558 residues in 345.7 ms (Link to these results)

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