A0A087XBK5_POEFO Loading...

Protein disulfide-isomerase

AlphaFold DB , UniProt , Accession A0A087XBK5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 502 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	P	42.1	Very low	41.4	Very low	172 Å²	172	159.7 Å²	159.7	100%	1.117	83%	0.833	S	S	*	*				0	124.3	0	10.2	12.2	0	0	0	111.1
2	S	37	Very low	41.4	Very low	113 Å²	113	159.8 Å²	159.8	79%	0.79	83%	0.834	S	S	*	*			trans	70.6	132.5	168.7	-52.4	0	0	0	0	115.5
3	R	42.2	Very low	41.6	Very low	226 Å²	226	153.9 Å²	153.9	85%	0.853	82%	0.823	S	S	*	*			cis	-172.4	147.1	8.5	-109.3	173.6	175.2	-162.6	-2.6	107.6
4	C	38.2	Very low	41.8	Very low	117 Å²	117	149.9 Å²	149.9	79%	0.791	82%	0.822	S	S	*	*			trans	94.7	124	133.3	-86.8	0	0	0	0	123.8
5	A	42.3	Very low	41.8	Very low	93 Å²	93	151.7 Å²	151.7	77%	0.769	83%	0.829	S	S	*	*			trans	69.5	138.3	140.5	0	0	0	0	0	118.1
6	M	37.3	Very low	41.8	Very low	180 Å²	180	147.4 Å²	147.4	89%	0.887	82%	0.82	S	S	*	*			cis	-158.3	119.4	26.8	-124.8	172.1	-160.6	0	0	107.6
7	L	43.6	Very low	41.7	Very low	157 Å²	157	143.1 Å²	143.1	82%	0.822	82%	0.816	S	S	*	*				35.3	104.5	105.5	-134.8	83.2	0	0	0	117.7
8	R	38.2	Very low	41.4	Very low	241 Å²	241	146.4 Å²	146.4	91%	0.909	82%	0.821	S	S	*	*			trans	-141.9	97.8	142.7	-85.4	-166.8	175.6	-177.6	-1.3	109.3
9	L	43.3	Very low	41.4	Very low	138 Å²	138	144.6 Å²	144.6	72%	0.723	82%	0.818	S	S	*	*			trans	-76.9	120.5	163	-122.4	87.3	0	0	0	107.5	F11	L9-F11 HydrophobicContact CD2-CD2 4.06Å; L9-F11 HydrophobicContact CD2-CE2 4.02Å
10	I	48.9	Very low	42	Very low	140 Å²	140	149.2 Å²	149.2	72%	0.718	82%	0.822	S	S	*	*			trans	-99.3	106.5	165	-64.8	176.6	0	0	0	106.5	L12	I10-L12 HydrophobicContact CG2-CD1 3.88Å; I10-L12 PolarHBondContact O-N 3.28Å
11	F	42.3	Very low	43.4	Very low	180 Å²	180	146.3 Å²	146.3	79%	0.789	82%	0.818	S	S	*	*			trans	-75.7	106.5	163.1	-110	-93.3	0	0	0	107.6	L9 A13	L9-F11 HydrophobicContact CD2-CD2 4.06Å; L9-F11 HydrophobicContact CD2-CE2 4.02Å; F11-A13 PolarHBondContact O-N 3.48Å
12	L	41.4	Very low	45.6	Very low	160 Å²	160	140.7 Å²	140.7	84%	0.838	78%	0.783	S	S	*	*			trans	-84.4	97.7	159.1	-112.5	97.5	0	0	0	107.3	I10 A14	I10-L12 HydrophobicContact CG2-CD1 3.88Å; I10-L12 PolarHBondContact O-N 3.28Å; L12-A14 PolarHBondContact O-N 3.5Å
13	A	44.4	Very low	48.4	Very low	84 Å²	84	137.4 Å²	137.4	69%	0.694	76%	0.757	S	S	*	*			trans	-78.9	110	162.7	0	0	0	0	0	107.9	F11 L15	F11-A13 PolarHBondContact O-N 3.48Å; A13-L15 PolarHBondContact O-N 3.12Å; A13-L15 VanDerWaalsContact O-N 3.13Å
14	A	43.7	Very low	51	Low	98 Å²	98	127 Å²	127	81%	0.81	72%	0.718	S	S	*	*			trans	-68.5	104.1	169.2	0	0	0	0	0	109	L12 A16	L12-A14 PolarHBondContact O-N 3.5Å; A14-A16 VanDerWaalsContact C-N 3.26Å; A14-A16 PolarHBondContact O-N 2.8Å
15	L	42.1	Very low	53.8	Low	176 Å²	176	123.8 Å²	123.8	92%	0.921	69%	0.693	S	S	*	*			trans	-72.2	85.5	162	-83.4	157.7	0	0	0	107.9	A13 G17	A13-L15 PolarHBondContact O-N 3.12Å; A13-L15 VanDerWaalsContact O-N 3.13Å; L15-G17 PolarHBondContact O-N 3.41Å; L15-G17 VanDerWaalsContact O-N 3.11Å
16	A	42.3	Very low	56.4	Low	83 Å²	83	125.3 Å²	125.3	69%	0.686	68%	0.684	S	S	*	*			trans	-69	99.9	159.6	0	0	0	0	0	107.3	A14 F18	A14-A16 VanDerWaalsContact C-N 3.26Å; A14-A16 PolarHBondContact O-N 2.8Å; A16-F18 PolarHBondContact O-N 2.94Å; A16-F18 VanDerWaalsContact O-N 3.1Å
17	G	40	Very low	59.3	Low	74 Å²	74	116.9 Å²	116.9	76%	0.763	64%	0.642	S	S	*	*			trans	-60.4	111.1	167.9	0	0	0	0	0	108.8	L15 S19	L15-G17 PolarHBondContact O-N 3.41Å; L15-G17 VanDerWaalsContact O-N 3.11Å; G17-S19 VanDerWaalsContact C-N 3.3Å; G17-S19 PolarHBondContact O-N 3.07Å
18	F	36.5	Very low	61.8	Low	204 Å²	204	111.6 Å²	111.6	90%	0.895	62%	0.617	S	S	*	*			trans	-63.6	95.7	163.3	-97.6	-95.4	0	0	0	107.5	A16 R20	A16-F18 PolarHBondContact O-N 2.94Å; A16-F18 VanDerWaalsContact O-N 3.1Å; F18-R20 PolarHBondContact O-N 3.49Å; F18-R20 VanDerWaalsContact O-N 3.12Å
19	S	40.8	Very low	64.6	Low	111 Å²	111	102.3 Å²	102.3	78%	0.776	59%	0.585	S	S	*	*			trans	-62	109.3	158.9	-175.7	0	0	0	0	106.2	G17 A21	G17-S19 VanDerWaalsContact C-N 3.3Å; G17-S19 PolarHBondContact O-N 3.07Å; S19-A21 PolarHBondContact O-N 3.49Å
20	R	53.3	Low	67.1	Low	236 Å²	236	103 Å²	103	89%	0.891	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-61.8	123.1	166.9	-87.3	-168.6	169.4	126.1	-1.8	106.4	F18 S22	F18-R20 PolarHBondContact O-N 3.49Å; F18-R20 VanDerWaalsContact O-N 3.12Å; R20-S22 PolarHBondContact O-N 3.14Å
21	A	71.6	Confident	69.4	Low	90 Å²	90	98.1 Å²	98.1	74%	0.744	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-53.8	127.6	170.9	0	0	0	0	0	108.5	S19	S19-A21 PolarHBondContact O-N 3.49Å
22	S	88.9	Confident	71.9	Confident	54 Å²	54	89.6 Å²	89.6	38%	0.378	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-62.4	142.4	174.8	168.1	0	0	0	0	109.5	R20 V24 E62	R20-S22 PolarHBondContact O-N 3.14Å; S22-V24 VanDerWaalsContact C-N 3.28Å; S22-V24 WeakPolarHBondContact OG-CB 3.32Å; S22-V24 PolarHBondContact OG-N 2.81Å; S22-V24 PolarHBondContact OG-O 2.82Å; S22-E62 PolarHBondContact OG-OE1 3.03Å; S22-E62 PolarHBondContact OG-OE2 3.09Å
23	D	95.3	Very high	74.4	Confident	44 Å²	44	86.6 Å²	86.6	24%	0.235	51%	0.509	C	S	.	.	S	Bend	trans	-86.7	-3.3	171.7	-72.5	-44.5	0	0	0	111.5	A65 T66 K69	D23-A65 HydrophobicContact CB-CB 4.06Å; D23-T66 WeakPolarHBondContact OD2-CA 3.49Å; D23-T66 WeakPolarHBondContact OD2-CB 3.15Å; D23-T66 PolarHBondContact OD2-OG1 3.16Å; D23-K69 WeakPolarHBondContact OD1-CE 3.29Å; D23-K69 IonicContact OD1-NZ 3.94Å; D23-K69 PolarHBondContact OD1-NZ 3.37Å
24	V	96.8	Very high	76.7	Confident	8 Å²	8	86.6 Å²	86.6	5%	0.048	50%	0.504	C	S	.	.	S	Bend	trans	-86.9	125.1	174.2	-177.4	0	0	0	0	109.4	S22 Y61 E62 A65 L74 K76	S22-V24 VanDerWaalsContact C-N 3.28Å; S22-V24 WeakPolarHBondContact OG-CB 3.32Å; S22-V24 PolarHBondContact OG-N 2.81Å; S22-V24 PolarHBondContact OG-O 2.82Å; V24-Y61 HydrophobicContact CG1-CD1 4.03Å; V24-Y61 HydrophobicContact CG1-CE1 3.9Å; V24-Y61 HydrophobicContact CG2-CD1 3.93Å; V24-Y61 HydrophobicContact CG2-CE1 4.42Å; V24-E62 VanDerWaalsContact CG2-CD 3.45Å; V24-E62 HydrophobicContact CG2-CG 4.23Å; V24-A65 HydrophobicContact CG2-CB 3.56Å; V24-L74 WeakPolarHBondContact CA-O 3.06Å; V24-K76 HydrophobicContact CG1-CB 4.1Å; V24-K76 HydrophobicContact CG1-CD 3.95Å; V24-K76 HydrophobicContact CG1-CG 3.87Å
25	L	96.8	Very high	79.1	Confident	48 Å²	48	85.3 Å²	85.3	25%	0.251	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	138.8	177	-54.5	175.6	0	0	0	110.5	F27 I42 L74 A75 K76	L25-F27 HydrophobicContact CB-CD1 4.1Å; L25-F27 HydrophobicContact CB-CE1 3.7Å; L25-F27 HydrophobicContact CD1-CE1 3.92Å; L25-F27 HydrophobicContact CD1-CZ 4.17Å; L25-F27 HydrophobicContact CG-CE1 4.44Å; L25-I42 HydrophobicContact CD1-CD1 4.3Å; L25-L74 PolarHBondContact N-O 3.29Å; L25-A75 HydrophobicContact CB-CB 3.95Å; L25-A75 CarbonylContact O-C 3.56Å; L25-A75 WeakPolarHBondContact O-CA 3.16Å; L25-K76 PolarHBondContact O-N 3.35Å
26	E	97.1	Very high	81.6	Confident	126 Å²	126	77.1 Å²	77.1	59%	0.589	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.9	171.1	-63.7	-169.2	166.5	0	0	108.6	R35 K76	E26-R35 PolarHBondContact O-NH1 3.13Å; E26-K76 HydrophobicContact CG-CG 4.37Å; E26-K76 WeakPolarHBondContact OE1-CE 3.49Å; E26-K76 IonicContact OE1-NZ 2.98Å; E26-K76 PolarHBondContact OE1-NZ 3.11Å
27	F	97.4	Very high	83.9	Confident	2 Å²	2	75.2 Å²	75.2	1%	0.009	42%	0.424	C	S	.	.			trans	-110.8	146.8	176.3	-73.1	8.7	0	0	0	109.4	L25 D31 F32 R35 I36 I42 A75 K76 V77	L25-F27 HydrophobicContact CB-CD1 4.1Å; L25-F27 HydrophobicContact CB-CE1 3.7Å; L25-F27 HydrophobicContact CD1-CE1 3.92Å; L25-F27 HydrophobicContact CD1-CZ 4.17Å; L25-F27 HydrophobicContact CG-CE1 4.44Å; F27-D31 WeakPolarHBondContact CA-OD1 3.42Å; F27-F32 HydrophobicContact CB-CD2 3.86Å; F27-F32 AromaticContact CD2-CD2 3.64Å; F27-F32 HydrophobicContact CD2-CD2 3.64Å; F27-F32 AromaticContact CD2-CE2 3.87Å; F27-F32 HydrophobicContact CD2-CE2 3.87Å; F27-F32 HydrophobicContact CD2-CG 4.29Å; F27-F32 HydrophobicContact CG-CD2 4.26Å; F27-R35 HydrophobicContact CE1-CB 4.06Å; F27-R35 HydrophobicContact CE2-CB 4.26Å; F27-R35 HydrophobicContact CZ-CB 3.81Å; F27-I36 HydrophobicContact CD2-CD1 4.45Å; F27-I36 HydrophobicContact CE2-CB 4.43Å; F27-I36 HydrophobicContact CE2-CD1 3.86Å; F27-I42 HydrophobicContact CE2-CD1 3.8Å; F27-I42 HydrophobicContact CZ-CD1 3.65Å; F27-A75 HydrophobicContact CD1-CB 4.15Å; F27-A75 HydrophobicContact CD2-CB 4.05Å; F27-A75 HydrophobicContact CE1-CB 4.17Å; F27-A75 HydrophobicContact CE2-CB 4.1Å; F27-A75 HydrophobicContact CG-CB 4.09Å; F27-A75 HydrophobicContact CZ-CB 4.16Å; F27-K76 PolarHBondContact N-O 3.34Å; F27-K76 VanDerWaalsContact N-O 3.09Å; F27-V77 HydrophobicContact CB-CG2 3.86Å
28	T	97.7	Very high	86.4	Confident	47 Å²	47	77.9 Å²	77.9	29%	0.288	42%	0.421	S	S	.	.			trans	-129.8	172.4	179.8	67.5	0	0	0	0	110.9	D30 D31 F32 N82	T28-D30 PolarHBondContact O-N 3.07Å; T28-D30 VanDerWaalsContact O-N 3.1Å; T28-D30 PolarHBondContact OG1-N 3.17Å; T28-D31 PolarHBondContact N-OD1 3.41Å; T28-D31 PolarHBondContact O-N 3.02Å; T28-D31 PolarHBondContact OG1-OD1 2.89Å; T28-F32 VanDerWaalsContact O-CB 3.31Å; T28-F32 WeakPolarHBondContact O-CB 3.39Å; T28-F32 PolarHBondContact O-N 3.17Å; T28-N82 WeakPolarHBondContact CA-OD1 3.42Å; T28-N82 WeakPolarHBondContact CB-OD1 3.2Å
29	D	96.3	Very high	89	Confident	45 Å²	45	70 Å²	70	24%	0.241	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.1	173.7	-79.3	-7.8	0	0	0	112.9	N82 S83 N84 T85	D29-N82 PolarHBondContact N-OD1 3.32Å; D29-N82 WeakPolarHBondContact OD1-CA 3.41Å; D29-N82 WeakPolarHBondContact OD1-CB 3.47Å; D29-S83 PolarHBondContact OD2-N 2.89Å; D29-N84 VanDerWaalsContact OD2-CB 3.3Å; D29-N84 WeakPolarHBondContact OD2-CB 3.44Å; D29-N84 PolarHBondContact OD2-N 3.18Å; D29-N84 VanDerWaalsContact OD2-N 3.14Å; D29-N84 PolarHBondContact OD2-ND2 3.22Å; D29-T85 WeakPolarHBondContact OD1-CB 3.32Å; D29-T85 PolarHBondContact OD1-N 2.93Å; D29-T85 PolarHBondContact OD1-OG1 2.92Å
30	D	96.3	Very high	91.2	Very high	154 Å²	154	70.6 Å²	70.6	82%	0.824	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-29.2	-176.6	-63.8	-32.5	0	0	0	113.3	T28	T28-D30 PolarHBondContact O-N 3.07Å; T28-D30 VanDerWaalsContact O-N 3.1Å; T28-D30 PolarHBondContact OG1-N 3.17Å
31	D	95.5	Very high	93.1	Very high	37 Å²	37	59.7 Å²	59.7	20%	0.198	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127	-4	-168.4	77.1	-3.4	0	0	0	114.9	F27 T28 E33 S34 R35	F27-D31 WeakPolarHBondContact CA-OD1 3.42Å; T28-D31 PolarHBondContact N-OD1 3.41Å; T28-D31 PolarHBondContact O-N 3.02Å; T28-D31 PolarHBondContact OG1-OD1 2.89Å; D31-E33 PolarHBondContact O-N 3.21Å; D31-S34 PolarHBondContact O-N 3.09Å; D31-S34 PolarHBondContact O-OG 3.49Å; D31-S34 VanDerWaalsContact O-OG 3.07Å; D31-R35 HydrophobicContact CB-CG 4.31Å; D31-R35 VanDerWaalsContact CG-CD 3.46Å; D31-R35 WeakPolarHBondContact O-CB 3.15Å; D31-R35 VanDerWaalsContact O-CG 3.24Å; D31-R35 WeakPolarHBondContact O-CG 3.05Å; D31-R35 PolarHBondContact O-N 3.45Å; D31-R35 VanDerWaalsContact O-N 3.07Å; D31-R35 VanDerWaalsContact OD2-CD 3.22Å; D31-R35 WeakPolarHBondContact OD2-CD 3.19Å; D31-R35 IonicContact OD2-CZ 2.7Å; D31-R35 IonicContact OD2-NE 2.96Å; D31-R35 IonicContact OD2-NH1 2.78Å; D31-R35 PolarHBondContact OD2-NH1 2.98Å
32	F	96.7	Very high	94.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-56.1	-56.1	-178.7	-168.7	-82.3	0	0	0	111.8	F27 T28 S34 R35 I36 V44 F46 V77 T85 Y89 F100	F27-F32 HydrophobicContact CB-CD2 3.86Å; F27-F32 AromaticContact CD2-CD2 3.64Å; F27-F32 HydrophobicContact CD2-CD2 3.64Å; F27-F32 AromaticContact CD2-CE2 3.87Å; F27-F32 HydrophobicContact CD2-CE2 3.87Å; F27-F32 HydrophobicContact CD2-CG 4.29Å; F27-F32 HydrophobicContact CG-CD2 4.26Å; T28-F32 VanDerWaalsContact O-CB 3.31Å; T28-F32 WeakPolarHBondContact O-CB 3.39Å; T28-F32 PolarHBondContact O-N 3.17Å; F32-S34 VanDerWaalsContact C-N 3.3Å; F32-S34 PolarHBondContact O-N 3.37Å; F32-R35 PolarHBondContact O-N 2.87Å; F32-I36 HydrophobicContact CD1-CB 4.26Å; F32-I36 HydrophobicContact CD1-CG2 4.34Å; F32-I36 HydrophobicContact CE1-CB 4.03Å; F32-I36 HydrophobicContact CE1-CD1 4Å; F32-I36 HydrophobicContact CE1-CG1 3.89Å; F32-I36 HydrophobicContact CE1-CG2 4.27Å; F32-I36 HydrophobicContact CE2-CD1 4.38Å; F32-I36 HydrophobicContact CZ-CD1 3.75Å; F32-I36 HydrophobicContact CZ-CG1 4.16Å; F32-I36 VanDerWaalsContact O-CB 3.24Å; F32-I36 WeakPolarHBondContact O-CB 3.36Å; F32-I36 WeakPolarHBondContact O-CG2 3.32Å; F32-I36 PolarHBondContact O-N 3.15Å; F32-V44 HydrophobicContact CE2-CG1 3.98Å; F32-V44 HydrophobicContact CE2-CG2 4.35Å; F32-V44 HydrophobicContact CZ-CG2 4.34Å; F32-F46 HydrophobicContact CE2-CE1 4.4Å; F32-F46 HydrophobicContact CE2-CZ 4.19Å; F32-F46 HydrophobicContact CZ-CZ 4.23Å; F32-V77 HydrophobicContact CD2-CG2 3.83Å; F32-V77 HydrophobicContact CE2-CG2 3.82Å; F32-T85 HydrophobicContact CB-CG2 4.09Å; F32-T85 HydrophobicContact CD1-CG2 3.99Å; F32-T85 HydrophobicContact CD2-CG2 3.47Å; F32-T85 VanDerWaalsContact CD2-CG2 3.47Å; F32-T85 HydrophobicContact CE1-CG2 4.32Å; F32-T85 HydrophobicContact CE2-CG2 3.85Å; F32-T85 HydrophobicContact CG-CG2 3.56Å; F32-T85 HydrophobicContact CZ-CG2 4.26Å; F32-Y89 AromaticContact CD1-CE2 3.9Å; F32-Y89 HydrophobicContact CD1-CE2 3.9Å; F32-Y89 HydrophobicContact CE1-CD2 4.3Å; F32-Y89 AromaticContact CE1-CE2 3.37Å; F32-Y89 HydrophobicContact CE1-CE2 3.37Å; F32-Y89 AromaticContact CE1-CZ 3.7Å; F32-Y89 HydrophobicContact CZ-CD2 4.4Å; F32-Y89 AromaticContact CZ-CE2 3.89Å; F32-Y89 HydrophobicContact CZ-CE2 3.89Å; F32-F100 HydrophobicContact CE1-CE1 4.09Å; F32-F100 HydrophobicContact CE1-CZ 4.2Å; F32-F100 HydrophobicContact CZ-CE1 4.07Å; F32-F100 HydrophobicContact CZ-CE2 4.09Å; F32-F100 AromaticContact CZ-CZ 3.74Å; F32-F100 HydrophobicContact CZ-CZ 3.74Å
33	E	92.4	Very high	94.7	Very high	98 Å²	98	52.8 Å²	52.8	46%	0.458	28%	0.283	S	S	.	.	H	α-helix	trans	-67.5	-30.6	-173.6	-61.6	-65.4	137.1	0	0	113	D31 K88 Y89	D31-E33 PolarHBondContact O-N 3.21Å; E33-K88 IonicContact OE1-NZ 3.26Å; E33-K88 PolarHBondContact OE1-NZ 3.08Å; E33-K88 IonicContact OE2-NZ 3.89Å; E33-K88 PolarHBondContact OE2-NZ 3.37Å; E33-Y89 PolarHBondContact OE1-OH 3.23Å
34	S	92.5	Very high	94.8	Very high	84 Å²	84	50.7 Å²	50.7	59%	0.587	27%	0.272	S	S	*	.	H	α-helix	trans	-79.3	-27.2	179.5	59.4	0	0	0	0	112.5	D31 F32	D31-S34 PolarHBondContact O-N 3.09Å; D31-S34 PolarHBondContact O-OG 3.49Å; D31-S34 VanDerWaalsContact O-OG 3.07Å; F32-S34 VanDerWaalsContact C-N 3.3Å; F32-S34 PolarHBondContact O-N 3.37Å
35	R	95.5	Very high	94.9	Very high	71 Å²	71	50.6 Å²	50.6	27%	0.268	27%	0.271	S	S	.	.	H	α-helix	trans	-99.8	-27.3	-176.1	-63.6	174	67.6	-167.7	-4.2	113.6	E26 F27 D31 F32 G37 D38 H39	E26-R35 PolarHBondContact O-NH1 3.13Å; F27-R35 HydrophobicContact CE1-CB 4.06Å; F27-R35 HydrophobicContact CE2-CB 4.26Å; F27-R35 HydrophobicContact CZ-CB 3.81Å; D31-R35 HydrophobicContact CB-CG 4.31Å; D31-R35 VanDerWaalsContact CG-CD 3.46Å; D31-R35 WeakPolarHBondContact O-CB 3.15Å; D31-R35 VanDerWaalsContact O-CG 3.24Å; D31-R35 WeakPolarHBondContact O-CG 3.05Å; D31-R35 PolarHBondContact O-N 3.45Å; D31-R35 VanDerWaalsContact O-N 3.07Å; D31-R35 VanDerWaalsContact OD2-CD 3.22Å; D31-R35 WeakPolarHBondContact OD2-CD 3.19Å; D31-R35 IonicContact OD2-CZ 2.7Å; D31-R35 IonicContact OD2-NE 2.96Å; D31-R35 IonicContact OD2-NH1 2.78Å; D31-R35 PolarHBondContact OD2-NH1 2.98Å; F32-R35 PolarHBondContact O-N 2.87Å; R35-G37 PolarHBondContact O-N 2.65Å; R35-D38 WeakPolarHBondContact O-CB 3.32Å; R35-D38 PolarHBondContact O-N 3.2Å; R35-D38 VanDerWaalsContact O-N 3.12Å; R35-H39 PolarHBondContact O-CD2 2.93Å; R35-H39 VanDerWaalsContact O-CD2 3.25Å
36	I	94.4	Very high	95	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.015	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-62.2	-31.8	-174.9	-163.8	71.1	0	0	0	112.5	F27 F32 I42 V44 F100	F27-I36 HydrophobicContact CD2-CD1 4.45Å; F27-I36 HydrophobicContact CE2-CB 4.43Å; F27-I36 HydrophobicContact CE2-CD1 3.86Å; F32-I36 HydrophobicContact CD1-CB 4.26Å; F32-I36 HydrophobicContact CD1-CG2 4.34Å; F32-I36 HydrophobicContact CE1-CB 4.03Å; F32-I36 HydrophobicContact CE1-CD1 4Å; F32-I36 HydrophobicContact CE1-CG1 3.89Å; F32-I36 HydrophobicContact CE1-CG2 4.27Å; F32-I36 HydrophobicContact CE2-CD1 4.38Å; F32-I36 HydrophobicContact CZ-CD1 3.75Å; F32-I36 HydrophobicContact CZ-CG1 4.16Å; F32-I36 VanDerWaalsContact O-CB 3.24Å; F32-I36 WeakPolarHBondContact O-CB 3.36Å; F32-I36 WeakPolarHBondContact O-CG2 3.32Å; F32-I36 PolarHBondContact O-N 3.15Å; I36-I42 HydrophobicContact CD1-CD1 4.38Å; I36-I42 HydrophobicContact CD1-CG2 3.49Å; I36-I42 VanDerWaalsContact CD1-CG2 3.49Å; I36-I42 HydrophobicContact CG1-CG2 4.31Å; I36-V44 HydrophobicContact CD1-CG2 3.88Å; I36-F100 HydrophobicContact CD1-CB 3.85Å; I36-F100 HydrophobicContact CD1-CD1 4.07Å; I36-F100 HydrophobicContact CD1-CD2 3.99Å; I36-F100 HydrophobicContact CD1-CG 3.71Å; I36-F100 HydrophobicContact CG1-CB 3.88Å; I36-F100 HydrophobicContact CG1-CD1 3.75Å; I36-F100 HydrophobicContact CG1-CE1 4.43Å; I36-F100 HydrophobicContact CG1-CG 3.82Å
37	G	90.6	Very high	95	Very high	44 Å²	44	44 Å²	44	45%	0.454	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-77.3	-12.7	178	0	0	0	0	0	115.3	R35 H39	R35-G37 PolarHBondContact O-N 2.65Å; G37-H39 PolarHBondContact O-N 2.77Å
38	D	92.6	Very high	95	Very high	130 Å²	130	44 Å²	44	70%	0.695	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-74.6	-4.6	177.9	-68	-25	0	0	0	112.6	R35	R35-D38 WeakPolarHBondContact O-CB 3.32Å; R35-D38 PolarHBondContact O-N 3.2Å; R35-D38 VanDerWaalsContact O-N 3.12Å
39	H	91.1	Very high	94.9	Very high	37 Å²	37	44.8 Å²	44.8	17%	0.171	24%	0.244	C	C	.	.			trans	-120	119.7	-174.8	-57.8	-79.2	0	0	0	110.2	R35 G37 I41 I42 S73	R35-H39 PolarHBondContact O-CD2 2.93Å; R35-H39 VanDerWaalsContact O-CD2 3.25Å; G37-H39 PolarHBondContact O-N 2.77Å; H39-I41 PolarHBondContact O-N 2.83Å; H39-I42 HydrophobicContact CB-CB 3.82Å; H39-I42 HydrophobicContact CB-CG2 4Å; H39-S73 PolarHBondContact CE1-OG 2.85Å; H39-S73 VanDerWaalsContact CE1-OG 3.26Å; H39-S73 WeakPolarHBondContact ND1-CB 3.3Å; H39-S73 PolarHBondContact ND1-OG 2.84Å
40	E	87.4	Confident	94.7	Very high	125 Å²	125	50.9 Å²	50.9	58%	0.584	26%	0.264	S	S	*	.	S	Bend	trans	-55.2	-40.3	171.9	-177.2	-174	170.4	0	0	110.4	R101 D102	E40-R101 VanDerWaalsContact O-CA 3.25Å; E40-R101 WeakPolarHBondContact O-CA 3.1Å; E40-R101 VanDerWaalsContact O-CG 3.29Å; E40-R101 WeakPolarHBondContact O-CG 3.32Å; E40-D102 PolarHBondContact O-N 2.73Å
41	I	92.3	Very high	94.7	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	134.5	171.1	-175.4	170	0	0	0	110.6	H39 V72 I99 F100 Q127 A128	H39-I41 PolarHBondContact O-N 2.83Å; I41-V72 HydrophobicContact CG1-CG1 4.32Å; I41-V72 HydrophobicContact CG2-CB 4.33Å; I41-V72 HydrophobicContact CG2-CG1 4.11Å; I41-V72 HydrophobicContact CG2-CG2 3.74Å; I41-I99 HydrophobicContact CD1-CG2 4.05Å; I41-I99 HydrophobicContact CG1-CG2 3.97Å; I41-F100 WeakPolarHBondContact CA-O 3.2Å; I41-Q127 HydrophobicContact CD1-CB 3.37Å; I41-Q127 HydrophobicContact CD1-CG 4.46Å; I41-A128 HydrophobicContact CG2-CB 3.91Å
42	I	96.3	Very high	94.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	136.7	177.5	-176.8	170.9	0	0	0	110.7	L25 F27 I36 H39 V44 S73 A75 F100	L25-I42 HydrophobicContact CD1-CD1 4.3Å; F27-I42 HydrophobicContact CE2-CD1 3.8Å; F27-I42 HydrophobicContact CZ-CD1 3.65Å; I36-I42 HydrophobicContact CD1-CD1 4.38Å; I36-I42 HydrophobicContact CD1-CG2 3.49Å; I36-I42 VanDerWaalsContact CD1-CG2 3.49Å; I36-I42 HydrophobicContact CG1-CG2 4.31Å; H39-I42 HydrophobicContact CB-CB 3.82Å; H39-I42 HydrophobicContact CB-CG2 4Å; I42-V44 HydrophobicContact CG1-CG2 4.4Å; I42-S73 VanDerWaalsContact CA-O 3.28Å; I42-S73 WeakPolarHBondContact CA-O 3.15Å; I42-S73 WeakPolarHBondContact CG1-O 3.5Å; I42-A75 HydrophobicContact CD1-CB 3.82Å; I42-A75 HydrophobicContact CG1-CB 4.36Å; I42-F100 HydrophobicContact CG2-CB 3.7Å; I42-F100 PolarHBondContact N-O 3.23Å; I42-F100 PolarHBondContact O-N 2.97Å
43	L	97.5	Very high	94.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	129.9	170.5	-176.7	71.1	0	0	0	109	Y61 S73 L74 A75 L97 I99 Y109 I120 L124	L43-Y61 VanDerWaalsContact C-OH 3.3Å; L43-Y61 HydrophobicContact CD2-CE2 3.7Å; L43-Y61 HydrophobicContact CG-CE2 4.26Å; L43-Y61 PolarHBondContact O-OH 3.43Å; L43-S73 PolarHBondContact N-O 3Å; L43-L74 HydrophobicContact CB-CD1 4.48Å; L43-L74 HydrophobicContact CB-CG 4.22Å; L43-L74 CarbonylContact O-C 3.57Å; L43-L74 WeakPolarHBondContact O-CA 3.44Å; L43-A75 PolarHBondContact O-N 2.89Å; L43-L97 HydrophobicContact CD1-CB 4.31Å; L43-I99 HydrophobicContact CD1-CG1 3.74Å; L43-Y109 HydrophobicContact CD1-CG 4.44Å; L43-I120 HydrophobicContact CD2-CG2 3.69Å; L43-L124 HydrophobicContact CB-CD1 3.72Å; L43-L124 HydrophobicContact CB-CD2 4.1Å; L43-L124 HydrophobicContact CD2-CD1 3.79Å; L43-L124 HydrophobicContact CG-CD1 4.34Å
44	V	98.3	Very high	94.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.9	-179.1	-175.9	0	0	0	0	110.1	F32 I36 I42 F46 A75 V77 L97 K98 F100	F32-V44 HydrophobicContact CE2-CG1 3.98Å; F32-V44 HydrophobicContact CE2-CG2 4.35Å; F32-V44 HydrophobicContact CZ-CG2 4.34Å; I36-V44 HydrophobicContact CD1-CG2 3.88Å; I42-V44 HydrophobicContact CG1-CG2 4.4Å; V44-F46 HydrophobicContact CB-CE2 3.97Å; V44-F46 HydrophobicContact CB-CZ 4.35Å; V44-F46 HydrophobicContact CG1-CD2 4.12Å; V44-F46 HydrophobicContact CG1-CE1 4.17Å; V44-F46 HydrophobicContact CG1-CE2 3.61Å; V44-F46 HydrophobicContact CG1-CZ 3.67Å; V44-A75 CarbonylContact C-O 3.53Å; V44-A75 WeakPolarHBondContact CA-O 3.47Å; V44-A75 HydrophobicContact CG2-CB 4.35Å; V44-V77 HydrophobicContact CG1-CG2 3.89Å; V44-L97 WeakPolarHBondContact O-CA 3.28Å; V44-K98 PolarHBondContact N-O 3.02Å; V44-K98 PolarHBondContact O-N 3.08Å; V44-F100 HydrophobicContact CB-CD2 4.18Å; V44-F100 HydrophobicContact CB-CE2 3.91Å; V44-F100 HydrophobicContact CG2-CD2 3.52Å; V44-F100 HydrophobicContact CG2-CE2 3.64Å
45	E	98.4	Very high	94.8	Very high	6 Å²	6	46.8 Å²	46.8	3%	0.028	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	113.9	169.5	-175.2	-170.1	-178	0	0	111.2	F47 L57 Y61 A75 K76 V77 P95 L97	E45-F47 HydrophobicContact CG-CB 4.11Å; E45-L57 HydrophobicContact CG-CD2 4.45Å; E45-Y61 HydrophobicContact CB-CD1 4.46Å; E45-Y61 HydrophobicContact CB-CE1 3.88Å; E45-Y61 HydrophobicContact CB-CE2 4.12Å; E45-Y61 PolarHBondContact N-OH 3.36Å; E45-A75 PolarHBondContact N-O 2.85Å; E45-K76 HydrophobicContact CB-CB 4.16Å; E45-K76 CarbonylContact O-C 3.43Å; E45-K76 WeakPolarHBondContact O-CA 3.42Å; E45-V77 PolarHBondContact O-N 2.85Å; E45-P95 HydrophobicContact CG-CB 4.13Å; E45-L97 HydrophobicContact CB-CD2 3.56Å; E45-L97 HydrophobicContact CG-CD2 3.72Å
46	F	98.4	Very high	94.8	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	116.3	167.9	-62.4	-85.4	0	0	0	109.4	F32 V44 V77 T85 Y89 V91 P95 T96 K98 F100	F32-F46 HydrophobicContact CE2-CE1 4.4Å; F32-F46 HydrophobicContact CE2-CZ 4.19Å; F32-F46 HydrophobicContact CZ-CZ 4.23Å; V44-F46 HydrophobicContact CB-CE2 3.97Å; V44-F46 HydrophobicContact CB-CZ 4.35Å; V44-F46 HydrophobicContact CG1-CD2 4.12Å; V44-F46 HydrophobicContact CG1-CE1 4.17Å; V44-F46 HydrophobicContact CG1-CE2 3.61Å; V44-F46 HydrophobicContact CG1-CZ 3.67Å; F46-V77 HydrophobicContact CD1-CB 3.86Å; F46-V77 HydrophobicContact CD1-CG1 4.21Å; F46-V77 HydrophobicContact CD1-CG2 4.34Å; F46-V77 HydrophobicContact CE1-CB 4.08Å; F46-V77 HydrophobicContact CE1-CG1 4.36Å; F46-V77 HydrophobicContact CE1-CG2 4.08Å; F46-T85 HydrophobicContact CE1-CG2 4.04Å; F46-Y89 HydrophobicContact CE1-CD2 4.46Å; F46-Y89 HydrophobicContact CZ-CD2 4.11Å; F46-Y89 HydrophobicContact CZ-CG 4.44Å; F46-V91 HydrophobicContact CB-CB 4.47Å; F46-V91 HydrophobicContact CB-CG1 3.92Å; F46-V91 HydrophobicContact CB-CG2 3.75Å; F46-V91 HydrophobicContact CD1-CG2 3.85Å; F46-V91 HydrophobicContact CD2-CG2 3.96Å; F46-V91 HydrophobicContact CE1-CG2 4.43Å; F46-V91 HydrophobicContact CG-CG2 3.57Å; F46-P95 WeakPolarHBondContact O-CA 3.05Å; F46-T96 PolarHBondContact N-O 2.88Å; F46-T96 PolarHBondContact O-N 3.28Å; F46-K98 HydrophobicContact CD2-CD 4.29Å; F46-K98 HydrophobicContact CE2-CB 4.12Å; F46-K98 HydrophobicContact CE2-CD 3.82Å; F46-K98 HydrophobicContact CE2-CG 4.3Å; F46-F100 HydrophobicContact CE2-CE2 4.25Å; F46-F100 HydrophobicContact CZ-CE2 4.36Å; F46-F100 HydrophobicContact CZ-CZ 4.31Å
47	F	98.2	Very high	94.9	Very high	36 Å²	36	51 Å²	51	16%	0.158	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	172.4	-170	84.1	-74	0	0	0	113.4	E45 C54 K76 V77 D78 C79	E45-F47 HydrophobicContact CG-CB 4.11Å; F47-C54 HydrophobicContact CB-CB 4Å; F47-C54 HydrophobicContact CD2-CB 4.3Å; F47-K76 HydrophobicContact CD1-CB 4.17Å; F47-K76 HydrophobicContact CE1-CB 4.07Å; F47-K76 HydrophobicContact CE1-CD 4.12Å; F47-K76 HydrophobicContact CE1-CG 4.07Å; F47-K76 HydrophobicContact CZ-CD 4.47Å; F47-V77 WeakPolarHBondContact CD1-O 3.43Å; F47-V77 PolarHBondContact N-O 3.31Å; F47-D78 HydrophobicContact CE1-CB 3.81Å; F47-D78 HydrophobicContact CZ-CB 3.86Å; F47-C79 PolarHBondContact O-N 3.03Å
48	A	96.9	Very high	95.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.25	C	S	.	.			trans	-132.7	139.7	166.2	0	0	0	0	0	109.8	W50 C51 T80 Y94	A48-W50 HydrophobicContact CB-CD2 4.17Å; A48-W50 HydrophobicContact CB-CZ2 3.84Å; A48-W50 PolarHBondContact O-N 2.77Å; A48-W50 VanDerWaalsContact O-N 3.13Å; A48-C51 WeakPolarHBondContact O-CB 3.32Å; A48-C51 PolarHBondContact O-N 2.92Å; A48-T80 HydrophobicContact CB-CG2 3.77Å; A48-Y94 HydrophobicContact CB-CD2 3.61Å; A48-Y94 HydrophobicContact CB-CE2 3.74Å; A48-Y94 HydrophobicContact CB-CG 4.11Å
49	P	94.6	Very high	95.3	Very high	65 Å²	65	48.5 Å²	48.5	42%	0.422	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.8	-172	24.4	-34.5	0	0	0	113.5	K55 D78	P49-K55 WeakPolarHBondContact O-CE 3.36Å; P49-D78 WeakPolarHBondContact CD-OD1 3.47Å; P49-D78 WeakPolarHBondContact CD-OD2 3.17Å
50	W	93.6	Very high	95.5	Very high	173 Å²	173	50.1 Å²	50.1	66%	0.655	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-12.8	176.8	51.5	-101.1	0	0	0	113.5	A48 G52 Y94	A48-W50 HydrophobicContact CB-CD2 4.17Å; A48-W50 HydrophobicContact CB-CZ2 3.84Å; A48-W50 PolarHBondContact O-N 2.77Å; A48-W50 VanDerWaalsContact O-N 3.13Å; W50-G52 PolarHBondContact O-N 3.31Å; W50-Y94 HydrophobicContact CH2-CD2 4.04Å; W50-Y94 HydrophobicContact CH2-CE2 4.21Å; W50-Y94 HydrophobicContact CZ2-CD2 4.19Å; W50-Y94 HydrophobicContact CZ2-CE2 4.01Å
51	C	95.2	Very high	96	Very high	15 Å²	15	44.3 Å²	44.3	10%	0.101	22%	0.222	C	C	.	.			trans	-73.6	121.6	-176.2	177	0	0	0	0	111.9	A48 H53 C54 K55 Y94	A48-C51 WeakPolarHBondContact O-CB 3.32Å; A48-C51 PolarHBondContact O-N 2.92Å; C51-H53 VanDerWaalsContact C-N 3.26Å; C51-H53 PolarHBondContact O-N 3.03Å; C51-H53 PolarHBondContact SG-N 3.42Å; C51-H53 VanDerWaalsContact SG-N 3.45Å; C51-C54 HydrophobicContact CB-CB 4.06Å; C51-C54 VanDerWaalsContact CB-SG 3.52Å; C51-C54 PolarHBondContact O-N 2.78Å; C51-K55 WeakPolarHBondContact O-CG 3.09Å; C51-K55 PolarHBondContact O-N 2.84Å; C51-K55 VanDerWaalsContact O-N 3.11Å; C51-Y94 PolarHBondContact SG-O 3.32Å; C51-Y94 VanDerWaalsContact SG-O 3.39Å
52	G	94.9	Very high	96.2	Very high	38 Å²	38	46.8 Å²	46.8	39%	0.392	23%	0.234	S	C	.	.	H	α-helix	trans	-62.7	-30	179.1	0	0	0	0	0	113.9	W50 R56	W50-G52 PolarHBondContact O-N 3.31Å; G52-R56 WeakPolarHBondContact O-CG 3.33Å; G52-R56 PolarHBondContact O-N 2.86Å
53	H	93.8	Very high	96.1	Very high	94 Å²	94	48.5 Å²	48.5	44%	0.435	25%	0.248	S	C	.	.	H	α-helix	trans	-73.1	-39.2	178.5	-67.9	-163.7	0	0	0	111.3	C51 R56 L57 P95	C51-H53 VanDerWaalsContact C-N 3.26Å; C51-H53 PolarHBondContact O-N 3.03Å; C51-H53 PolarHBondContact SG-N 3.42Å; C51-H53 VanDerWaalsContact SG-N 3.45Å; H53-R56 PolarHBondContact CD2-NH2 3.13Å; H53-R56 PolarHBondContact NE2-NH2 3.41Å; H53-R56 PolarHBondContact O-N 3.13Å; H53-L57 PolarHBondContact O-N 3.13Å; H53-P95 VanDerWaalsContact CB-CD 3.49Å; H53-P95 HydrophobicContact CB-CG 4.49Å
54	C	95.9	Very high	96	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.027	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-43.7	174.5	-56	0	0	0	0	111.1	F47 C51 R56 L57 A58 P95	F47-C54 HydrophobicContact CB-CB 4Å; F47-C54 HydrophobicContact CD2-CB 4.3Å; C51-C54 HydrophobicContact CB-CB 4.06Å; C51-C54 VanDerWaalsContact CB-SG 3.52Å; C51-C54 PolarHBondContact O-N 2.78Å; C54-R56 PolarHBondContact O-N 2.68Å; C54-L57 PolarHBondContact O-N 3.11Å; C54-A58 PolarHBondContact O-N 3.47Å; C54-P95 VanDerWaalsContact SG-CD 3.52Å; C54-P95 VanDerWaalsContact SG-N 3.41Å
55	K	95.2	Very high	95.9	Very high	135 Å²	135	48.6 Å²	48.6	59%	0.587	25%	0.249	S	C	*	.	H	α-helix	trans	-58.6	-35.2	176	-69.3	179.3	-174.8	-179.5	0	112.9	P49 C51 P59	P49-K55 WeakPolarHBondContact O-CE 3.36Å; C51-K55 WeakPolarHBondContact O-CG 3.09Å; C51-K55 PolarHBondContact O-N 2.84Å; C51-K55 VanDerWaalsContact O-N 3.11Å; K55-P59 WeakPolarHBondContact O-CD 3.29Å
56	R	94.8	Very high	95.8	Very high	159 Å²	159	52.1 Å²	52.1	60%	0.6	27%	0.27	S	S	*	.	H	α-helix	trans	-74.2	-34.4	175.3	-71.3	-167.1	-55.4	-96.2	11.7	112.9	G52 H53 C54 P59	G52-R56 WeakPolarHBondContact O-CG 3.33Å; G52-R56 PolarHBondContact O-N 2.86Å; H53-R56 PolarHBondContact CD2-NH2 3.13Å; H53-R56 PolarHBondContact NE2-NH2 3.41Å; H53-R56 PolarHBondContact O-N 3.13Å; C54-R56 PolarHBondContact O-N 2.68Å; R56-P59 WeakPolarHBondContact O-CD 3.34Å
57	L	96.4	Very high	95.5	Very high	3 Å²	3	59 Å²	59	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-74.9	-36.9	178.6	176.8	54.6	0	0	0	112.6	E45 H53 C54 E60 Y61 P95 L97 R113 I120	E45-L57 HydrophobicContact CG-CD2 4.45Å; H53-L57 PolarHBondContact O-N 3.13Å; C54-L57 PolarHBondContact O-N 3.11Å; L57-E60 HydrophobicContact CD1-CB 4.24Å; L57-E60 CarbonylContact O-C 3.48Å; L57-E60 WeakPolarHBondContact O-CA 3.07Å; L57-E60 WeakPolarHBondContact O-CB 3.13Å; L57-E60 PolarHBondContact O-N 3.33Å; L57-Y61 HydrophobicContact CD1-CD2 4.41Å; L57-Y61 HydrophobicContact CG-CD2 4.46Å; L57-Y61 PolarHBondContact O-N 2.83Å; L57-P95 HydrophobicContact CD2-CB 3.93Å; L57-P95 HydrophobicContact CD2-CG 3.75Å; L57-L97 HydrophobicContact CD2-CD1 4.04Å; L57-L97 HydrophobicContact CD2-CD2 4.15Å; L57-L97 HydrophobicContact CD2-CG 4.36Å; L57-R113 HydrophobicContact CD1-CB 3.96Å; L57-I120 HydrophobicContact CD1-CD1 4.11Å
58	A	95.9	Very high	95.2	Very high	43 Å²	43	57.3 Å²	57.3	36%	0.355	29%	0.289	S	S	.	.	H	α-helix	trans	-43.6	-50.9	-176.1	0	0	0	0	0	115.2	C54 E60 Y61 E62	C54-A58 PolarHBondContact O-N 3.47Å; A58-E60 VanDerWaalsContact C-N 3.35Å; A58-E60 PolarHBondContact O-N 3.39Å; A58-Y61 PolarHBondContact O-N 3.49Å; A58-E62 WeakPolarHBondContact O-CG 3.29Å; A58-E62 PolarHBondContact O-N 3.27Å
59	P	95.7	Very high	95	Very high	79 Å²	79	64.3 Å²	64.3	51%	0.513	32%	0.319	S	S	.	.	H	α-helix	trans	-65	-35.1	177.8	25.5	-35.2	0	0	0	113.6	K55 R56 A63	K55-P59 WeakPolarHBondContact O-CD 3.29Å; R56-P59 WeakPolarHBondContact O-CD 3.34Å; P59-A63 WeakPolarHBondContact O-CB 3.34Å; P59-A63 PolarHBondContact O-N 2.95Å; P59-A63 VanDerWaalsContact O-N 3.1Å
60	E	96.5	Very high	94.6	Very high	72 Å²	72	65.3 Å²	65.3	34%	0.336	34%	0.342	S	S	.	.	H	α-helix	trans	-70.7	-37.6	175.7	-63.1	-64.5	139.1	0	0	111.1	L57 A58 A63 A64 T114 A115	L57-E60 HydrophobicContact CD1-CB 4.24Å; L57-E60 CarbonylContact O-C 3.48Å; L57-E60 WeakPolarHBondContact O-CA 3.07Å; L57-E60 WeakPolarHBondContact O-CB 3.13Å; L57-E60 PolarHBondContact O-N 3.33Å; A58-E60 VanDerWaalsContact C-N 3.35Å; A58-E60 PolarHBondContact O-N 3.39Å; E60-A63 PolarHBondContact O-N 3.08Å; E60-A64 WeakPolarHBondContact O-CB 3.26Å; E60-A64 PolarHBondContact O-N 3.1Å; E60-T114 WeakPolarHBondContact OE2-CA 3.48Å; E60-A115 WeakPolarHBondContact O-CB 3.35Å; E60-A115 WeakPolarHBondContact OE2-CB 3.33Å; E60-A115 PolarHBondContact OE2-N 2.84Å
61	Y	97.3	Very high	94.3	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-67.8	-43.5	179.3	-154.4	-106.5	0	0	0	111.8	V24 L43 E45 L57 A58 A64 A65 L74 A75 L97 I120	V24-Y61 HydrophobicContact CG1-CD1 4.03Å; V24-Y61 HydrophobicContact CG1-CE1 3.9Å; V24-Y61 HydrophobicContact CG2-CD1 3.93Å; V24-Y61 HydrophobicContact CG2-CE1 4.42Å; L43-Y61 VanDerWaalsContact C-OH 3.3Å; L43-Y61 HydrophobicContact CD2-CE2 3.7Å; L43-Y61 HydrophobicContact CG-CE2 4.26Å; L43-Y61 PolarHBondContact O-OH 3.43Å; E45-Y61 HydrophobicContact CB-CD1 4.46Å; E45-Y61 HydrophobicContact CB-CE1 3.88Å; E45-Y61 HydrophobicContact CB-CE2 4.12Å; E45-Y61 PolarHBondContact N-OH 3.36Å; L57-Y61 HydrophobicContact CD1-CD2 4.41Å; L57-Y61 HydrophobicContact CG-CD2 4.46Å; L57-Y61 PolarHBondContact O-N 2.83Å; A58-Y61 PolarHBondContact O-N 3.49Å; Y61-A64 PolarHBondContact O-N 3.18Å; Y61-A65 WeakPolarHBondContact O-CB 3.35Å; Y61-A65 PolarHBondContact O-N 2.89Å; Y61-L74 HydrophobicContact CD1-CD2 4.12Å; Y61-L74 HydrophobicContact CD2-CD2 4.02Å; Y61-L74 HydrophobicContact CE1-CB 3.89Å; Y61-L74 HydrophobicContact CE1-CD2 3.92Å; Y61-L74 HydrophobicContact CE1-CG 4.18Å; Y61-L74 HydrophobicContact CE2-CD2 3.78Å; Y61-L74 HydrophobicContact CE2-CG 4.33Å; Y61-L74 HydrophobicContact CG-CD2 4.17Å; Y61-A75 WeakPolarHBondContact CE1-O 3.21Å; Y61-A75 PolarHBondContact OH-O 3.48Å; Y61-L97 HydrophobicContact CD2-CD2 4.4Å; Y61-L97 HydrophobicContact CE2-CD2 3.74Å; Y61-I120 HydrophobicContact CD2-CD1 3.81Å; Y61-I120 HydrophobicContact CE2-CD1 4.33Å
62	E	96.8	Very high	94.2	Very high	59 Å²	59	60.3 Å²	60.3	28%	0.276	33%	0.33	S	S	.	.	H	α-helix	trans	-60.8	-46.6	171.9	-73	-69.8	170.1	0	0	111.6	S22 V24 A58 A64 A65 T66	S22-E62 PolarHBondContact OG-OE1 3.03Å; S22-E62 PolarHBondContact OG-OE2 3.09Å; V24-E62 VanDerWaalsContact CG2-CD 3.45Å; V24-E62 HydrophobicContact CG2-CG 4.23Å; A58-E62 WeakPolarHBondContact O-CG 3.29Å; A58-E62 PolarHBondContact O-N 3.27Å; E62-A64 VanDerWaalsContact C-N 3.28Å; E62-A64 PolarHBondContact O-N 3.09Å; E62-A65 PolarHBondContact O-N 3.24Å; E62-T66 PolarHBondContact O-N 3.18Å; E62-T66 PolarHBondContact O-OG1 3.03Å
63	A	95	Very high	94.2	Very high	35 Å²	35	60.4 Å²	60.4	29%	0.289	32%	0.324	S	S	.	.	H	α-helix	trans	-61.6	-37.5	177	0	0	0	0	0	112.2	P59 E60 R67 A115	P59-A63 WeakPolarHBondContact O-CB 3.34Å; P59-A63 PolarHBondContact O-N 2.95Å; P59-A63 VanDerWaalsContact O-N 3.1Å; E60-A63 PolarHBondContact O-N 3.08Å; A63-R67 WeakPolarHBondContact O-CB 3.43Å; A63-R67 WeakPolarHBondContact O-CD 3.23Å; A63-R67 WeakPolarHBondContact O-CG 3.01Å; A63-R67 PolarHBondContact O-N 2.75Å; A63-R67 VanDerWaalsContact O-N 3.16Å; A63-A115 HydrophobicContact CB-CB 3.82Å
64	A	95.4	Very high	94.4	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.6	-44.2	175	0	0	0	0	0	111.8	E60 Y61 E62 T66 R67 L68 L74 A115 I120 V121	E60-A64 WeakPolarHBondContact O-CB 3.26Å; E60-A64 PolarHBondContact O-N 3.1Å; Y61-A64 PolarHBondContact O-N 3.18Å; E62-A64 VanDerWaalsContact C-N 3.28Å; E62-A64 PolarHBondContact O-N 3.09Å; A64-T66 PolarHBondContact O-N 2.66Å; A64-R67 PolarHBondContact O-N 3.34Å; A64-R67 VanDerWaalsContact O-N 3.16Å; A64-L68 WeakPolarHBondContact O-CB 3.48Å; A64-L68 WeakPolarHBondContact O-CG 3.49Å; A64-L68 PolarHBondContact O-N 3.37Å; A64-L74 HydrophobicContact CB-CD2 3.89Å; A64-A115 HydrophobicContact CB-CB 4.24Å; A64-I120 HydrophobicContact CB-CB 3.96Å; A64-I120 HydrophobicContact CB-CD1 4.45Å; A64-I120 HydrophobicContact CB-CG2 3.74Å; A64-V121 HydrophobicContact CB-CG2 3.83Å
65	A	96.1	Very high	94.5	Very high	3 Å²	3	55.8 Å²	55.8	3%	0.025	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-47.4	179	0	0	0	0	0	111.3	D23 V24 Y61 E62 R67 L68 K69 L74	D23-A65 HydrophobicContact CB-CB 4.06Å; V24-A65 HydrophobicContact CG2-CB 3.56Å; Y61-A65 WeakPolarHBondContact O-CB 3.35Å; Y61-A65 PolarHBondContact O-N 2.89Å; E62-A65 PolarHBondContact O-N 3.24Å; A65-R67 VanDerWaalsContact C-N 3.32Å; A65-R67 PolarHBondContact O-N 3.47Å; A65-L68 PolarHBondContact O-N 3.08Å; A65-K69 PolarHBondContact O-N 2.95Å; A65-L74 HydrophobicContact CB-CB 3.89Å; A65-L74 HydrophobicContact CB-CD2 4Å; A65-L74 HydrophobicContact CB-CG 4.41Å
66	T	94.9	Very high	94.6	Very high	79 Å²	79	51.4 Å²	51.4	49%	0.485	28%	0.284	S	S	.	.	H	α-helix	trans	-61.1	-38.9	175.6	-64.1	0	0	0	0	112.3	D23 E62 A64 L68	D23-T66 WeakPolarHBondContact OD2-CA 3.49Å; D23-T66 WeakPolarHBondContact OD2-CB 3.15Å; D23-T66 PolarHBondContact OD2-OG1 3.16Å; E62-T66 PolarHBondContact O-N 3.18Å; E62-T66 PolarHBondContact O-OG1 3.03Å; A64-T66 PolarHBondContact O-N 2.66Å; T66-L68 VanDerWaalsContact C-N 3.35Å
67	R	92.8	Very high	94.8	Very high	146 Å²	146	43.8 Å²	43.8	55%	0.551	26%	0.255	S	S	*	.	H	α-helix	trans	-73.6	-24.1	179.2	-74.3	171.7	-178	-177	3	113.9	A63 A64 A65 A115 V121	A63-R67 WeakPolarHBondContact O-CB 3.43Å; A63-R67 WeakPolarHBondContact O-CD 3.23Å; A63-R67 WeakPolarHBondContact O-CG 3.01Å; A63-R67 PolarHBondContact O-N 2.75Å; A63-R67 VanDerWaalsContact O-N 3.16Å; A64-R67 PolarHBondContact O-N 3.34Å; A64-R67 VanDerWaalsContact O-N 3.16Å; A65-R67 VanDerWaalsContact C-N 3.32Å; A65-R67 PolarHBondContact O-N 3.47Å; R67-A115 PolarHBondContact NH1-O 2.9Å; R67-V121 HydrophobicContact CB-CG1 4.31Å; R67-V121 HydrophobicContact CB-CG2 3.84Å
68	L	92.1	Very high	94.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-100.5	0	-179	-71.8	168.2	0	0	0	113.3	A64 A65 T66 G70 T71 V72 L74 I120 V121 L124 K125	A64-L68 WeakPolarHBondContact O-CB 3.48Å; A64-L68 WeakPolarHBondContact O-CG 3.49Å; A64-L68 PolarHBondContact O-N 3.37Å; A65-L68 PolarHBondContact O-N 3.08Å; T66-L68 VanDerWaalsContact C-N 3.35Å; L68-G70 PolarHBondContact O-N 3.45Å; L68-T71 WeakPolarHBondContact O-CA 3.49Å; L68-T71 WeakPolarHBondContact O-CB 3.36Å; L68-T71 PolarHBondContact O-N 3.34Å; L68-V72 HydrophobicContact CB-CB 4.38Å; L68-V72 WeakPolarHBondContact CB-O 3.44Å; L68-V72 HydrophobicContact CD1-CB 4.44Å; L68-V72 HydrophobicContact CD2-CB 4.48Å; L68-V72 PolarHBondContact O-N 2.97Å; L68-L74 HydrophobicContact CB-CD1 4.41Å; L68-L74 HydrophobicContact CD1-CD1 3.61Å; L68-I120 HydrophobicContact CD1-CG2 4.41Å; L68-V121 HydrophobicContact CD1-CG2 4.31Å; L68-V121 HydrophobicContact CD2-CG1 4.04Å; L68-V121 HydrophobicContact CG-CB 4.45Å; L68-V121 HydrophobicContact CG-CG1 4.26Å; L68-V121 HydrophobicContact CG-CG2 4.18Å; L68-L124 HydrophobicContact CD1-CB 3.89Å; L68-L124 HydrophobicContact CD1-CD1 3.5Å; L68-L124 VanDerWaalsContact CD1-CD1 3.5Å; L68-L124 HydrophobicContact CD1-CG 4.32Å; L68-L124 HydrophobicContact CD2-CB 4.34Å; L68-K125 HydrophobicContact CD2-CG 3.73Å
69	K	91.7	Very high	95	Very high	146 Å²	146	43.9 Å²	43.9	64%	0.635	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	122.9	-179.3	-169.6	170.6	-171.8	159.2	0	111.3	D23 A65 T71	D23-K69 WeakPolarHBondContact OD1-CE 3.29Å; D23-K69 IonicContact OD1-NZ 3.94Å; D23-K69 PolarHBondContact OD1-NZ 3.37Å; A65-K69 PolarHBondContact O-N 2.95Å; K69-T71 VanDerWaalsContact C-N 3.3Å
70	G	86.9	Confident	95	Very high	86 Å²	86	43.9 Å²	43.9	89%	0.887	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.5	-0.6	-177.2	0	0	0	0	0	115.4	L68	L68-G70 PolarHBondContact O-N 3.45Å
71	T	87.1	Confident	94.9	Very high	79 Å²	79	43.8 Å²	43.8	49%	0.485	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-55.1	172.8	-48.3	0	0	0	0	111.1	L68 K69 A128	L68-T71 WeakPolarHBondContact O-CA 3.49Å; L68-T71 WeakPolarHBondContact O-CB 3.36Å; L68-T71 PolarHBondContact O-N 3.34Å; K69-T71 VanDerWaalsContact C-N 3.3Å; T71-A128 HydrophobicContact CG2-CB 4.07Å
72	V	92.4	Very high	94.9	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.03	26%	0.264	C	S	.	.	S	Bend	trans	-138.6	131.7	179.9	179.1	0	0	0	0	107.9	I41 L68 L74 L124 A128	I41-V72 HydrophobicContact CG1-CG1 4.32Å; I41-V72 HydrophobicContact CG2-CB 4.33Å; I41-V72 HydrophobicContact CG2-CG1 4.11Å; I41-V72 HydrophobicContact CG2-CG2 3.74Å; L68-V72 HydrophobicContact CB-CB 4.38Å; L68-V72 WeakPolarHBondContact CB-O 3.44Å; L68-V72 HydrophobicContact CD1-CB 4.44Å; L68-V72 HydrophobicContact CD2-CB 4.48Å; L68-V72 PolarHBondContact O-N 2.97Å; V72-L74 HydrophobicContact CG1-CD1 4.4Å; V72-L124 HydrophobicContact CB-CB 4.28Å; V72-L124 HydrophobicContact CG1-CB 4.14Å; V72-L124 HydrophobicContact CG1-CD1 3.84Å; V72-L124 HydrophobicContact CG1-CD2 4.22Å; V72-L124 HydrophobicContact CG1-CG 4.3Å; V72-L124 HydrophobicContact CG2-CB 3.95Å; V72-A128 HydrophobicContact CG2-CB 3.46Å; V72-A128 VanDerWaalsContact CG2-CB 3.46Å
73	S	95.8	Very high	94.8	Very high	39 Å²	39	45 Å²	45	27%	0.273	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	146	174.8	-70.8	0	0	0	0	110.7	H39 I42 L43	H39-S73 PolarHBondContact CE1-OG 2.85Å; H39-S73 VanDerWaalsContact CE1-OG 3.26Å; H39-S73 WeakPolarHBondContact ND1-CB 3.3Å; H39-S73 PolarHBondContact ND1-OG 2.84Å; I42-S73 VanDerWaalsContact CA-O 3.28Å; I42-S73 WeakPolarHBondContact CA-O 3.15Å; I42-S73 WeakPolarHBondContact CG1-O 3.5Å; L43-S73 PolarHBondContact N-O 3Å
74	L	97.8	Very high	94.9	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.9	170.3	-87.9	68.7	0	0	0	108.2	V24 L25 L43 Y61 A64 A65 L68 V72 I120 L124	V24-L74 WeakPolarHBondContact CA-O 3.06Å; L25-L74 PolarHBondContact N-O 3.29Å; L43-L74 HydrophobicContact CB-CD1 4.48Å; L43-L74 HydrophobicContact CB-CG 4.22Å; L43-L74 CarbonylContact O-C 3.57Å; L43-L74 WeakPolarHBondContact O-CA 3.44Å; Y61-L74 HydrophobicContact CD1-CD2 4.12Å; Y61-L74 HydrophobicContact CD2-CD2 4.02Å; Y61-L74 HydrophobicContact CE1-CB 3.89Å; Y61-L74 HydrophobicContact CE1-CD2 3.92Å; Y61-L74 HydrophobicContact CE1-CG 4.18Å; Y61-L74 HydrophobicContact CE2-CD2 3.78Å; Y61-L74 HydrophobicContact CE2-CG 4.33Å; Y61-L74 HydrophobicContact CG-CD2 4.17Å; A64-L74 HydrophobicContact CB-CD2 3.89Å; A65-L74 HydrophobicContact CB-CB 3.89Å; A65-L74 HydrophobicContact CB-CD2 4Å; A65-L74 HydrophobicContact CB-CG 4.41Å; L68-L74 HydrophobicContact CB-CD1 4.41Å; L68-L74 HydrophobicContact CD1-CD1 3.61Å; V72-L74 HydrophobicContact CG1-CD1 4.4Å; L74-I120 HydrophobicContact CD2-CG2 4.23Å; L74-L124 HydrophobicContact CD1-CD1 3.71Å; L74-L124 HydrophobicContact CG-CD1 4.49Å
75	A	98	Very high	94.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	162.9	172.9	0	0	0	0	0	111.2	L25 F27 I42 L43 V44 E45 Y61	L25-A75 HydrophobicContact CB-CB 3.95Å; L25-A75 CarbonylContact O-C 3.56Å; L25-A75 WeakPolarHBondContact O-CA 3.16Å; F27-A75 HydrophobicContact CD1-CB 4.15Å; F27-A75 HydrophobicContact CD2-CB 4.05Å; F27-A75 HydrophobicContact CE1-CB 4.17Å; F27-A75 HydrophobicContact CE2-CB 4.1Å; F27-A75 HydrophobicContact CG-CB 4.09Å; F27-A75 HydrophobicContact CZ-CB 4.16Å; I42-A75 HydrophobicContact CD1-CB 3.82Å; I42-A75 HydrophobicContact CG1-CB 4.36Å; L43-A75 PolarHBondContact O-N 2.89Å; V44-A75 CarbonylContact C-O 3.53Å; V44-A75 WeakPolarHBondContact CA-O 3.47Å; V44-A75 HydrophobicContact CG2-CB 4.35Å; E45-A75 PolarHBondContact N-O 2.85Å; Y61-A75 WeakPolarHBondContact CE1-O 3.21Å; Y61-A75 PolarHBondContact OH-O 3.48Å
76	K	98.1	Very high	95	Very high	42 Å²	42	49.2 Å²	49.2	18%	0.183	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	147.4	169.8	67.9	-173.9	177.5	-176.7	0	110.6	V24 L25 E26 F27 E45 F47	V24-K76 HydrophobicContact CG1-CB 4.1Å; V24-K76 HydrophobicContact CG1-CD 3.95Å; V24-K76 HydrophobicContact CG1-CG 3.87Å; L25-K76 PolarHBondContact O-N 3.35Å; E26-K76 HydrophobicContact CG-CG 4.37Å; E26-K76 WeakPolarHBondContact OE1-CE 3.49Å; E26-K76 IonicContact OE1-NZ 2.98Å; E26-K76 PolarHBondContact OE1-NZ 3.11Å; F27-K76 PolarHBondContact N-O 3.34Å; F27-K76 VanDerWaalsContact N-O 3.09Å; E45-K76 HydrophobicContact CB-CB 4.16Å; E45-K76 CarbonylContact O-C 3.43Å; E45-K76 WeakPolarHBondContact O-CA 3.42Å; F47-K76 HydrophobicContact CD1-CB 4.17Å; F47-K76 HydrophobicContact CE1-CB 4.07Å; F47-K76 HydrophobicContact CE1-CD 4.12Å; F47-K76 HydrophobicContact CE1-CG 4.07Å; F47-K76 HydrophobicContact CZ-CD 4.47Å
77	V	98.5	Very high	95	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	119.1	177.6	179.6	0	0	0	0	108.5	F27 F32 V44 E45 F46 F47 C79 N82	F27-V77 HydrophobicContact CB-CG2 3.86Å; F32-V77 HydrophobicContact CD2-CG2 3.83Å; F32-V77 HydrophobicContact CE2-CG2 3.82Å; V44-V77 HydrophobicContact CG1-CG2 3.89Å; E45-V77 PolarHBondContact O-N 2.85Å; F46-V77 HydrophobicContact CD1-CB 3.86Å; F46-V77 HydrophobicContact CD1-CG1 4.21Å; F46-V77 HydrophobicContact CD1-CG2 4.34Å; F46-V77 HydrophobicContact CE1-CB 4.08Å; F46-V77 HydrophobicContact CE1-CG1 4.36Å; F46-V77 HydrophobicContact CE1-CG2 4.08Å; F47-V77 WeakPolarHBondContact CD1-O 3.43Å; F47-V77 PolarHBondContact N-O 3.31Å; V77-C79 PolarHBondContact O-N 2.77Å; V77-N82 HydrophobicContact CG1-CB 3.75Å
78	D	98	Very high	95.2	Very high	39 Å²	39	48.8 Å²	48.8	21%	0.209	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	105.3	172.5	-174	-17.9	0	0	0	109.6	F47 P49 T80 A81 N82	F47-D78 HydrophobicContact CE1-CB 3.81Å; F47-D78 HydrophobicContact CZ-CB 3.86Å; P49-D78 WeakPolarHBondContact CD-OD1 3.47Å; P49-D78 WeakPolarHBondContact CD-OD2 3.17Å; D78-T80 VanDerWaalsContact CG-OG1 3.29Å; D78-T80 PolarHBondContact O-N 3.49Å; D78-T80 WeakPolarHBondContact OD1-CB 3.36Å; D78-T80 PolarHBondContact OD1-N 3.33Å; D78-T80 PolarHBondContact OD1-OG1 3.2Å; D78-T80 PolarHBondContact OD2-OG1 3.3Å; D78-A81 PolarHBondContact O-N 2.85Å; D78-A81 VanDerWaalsContact O-N 3.15Å; D78-N82 WeakPolarHBondContact O-CB 3.48Å; D78-N82 PolarHBondContact O-N 2.85Å; D78-N82 PolarHBondContact O-ND2 2.78Å
79	C	97.7	Very high	95.4	Very high	9 Å²	9	50 Å²	50	6%	0.061	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-11.5	-177.9	-65.5	0	0	0	0	113.9	F47 V77 A81 C86 Y94	F47-C79 PolarHBondContact O-N 3.03Å; V77-C79 PolarHBondContact O-N 2.77Å; C79-A81 VanDerWaalsContact C-N 3.31Å; C79-C86 WeakPolarHBondContact CA-SG 3.42Å; C79-C86 HydrophobicContact CB-CB 3.74Å; C79-C86 WeakPolarHBondContact CB-SG 3.34Å; C79-C86 WeakPolarHBondContact SG-CB 3.49Å; C79-C86 CovalentContact SG-SG 2.03Å; C79-C86 PolarHBondContact SG-SG 3.37Å; C79-Y94 HydrophobicContact CB-CE1 3.56Å; C79-Y94 WeakPolarHBondContact CB-OH 3.44Å
80	T	95.4	Very high	95.5	Very high	78 Å²	78	45.8 Å²	45.8	48%	0.479	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-23.7	173.1	69.5	0	0	0	0	112.5	A48 D78	A48-T80 HydrophobicContact CB-CG2 3.77Å; D78-T80 VanDerWaalsContact CG-OG1 3.29Å; D78-T80 PolarHBondContact O-N 3.49Å; D78-T80 WeakPolarHBondContact OD1-CB 3.36Å; D78-T80 PolarHBondContact OD1-N 3.33Å; D78-T80 PolarHBondContact OD1-OG1 3.2Å; D78-T80 PolarHBondContact OD2-OG1 3.3Å
81	A	96.1	Very high	96	Very high	71 Å²	71	42.7 Å²	42.7	59%	0.587	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-22.6	175.8	0	0	0	0	0	113.1	D78 C79	D78-A81 PolarHBondContact O-N 2.85Å; D78-A81 VanDerWaalsContact O-N 3.15Å; C79-A81 VanDerWaalsContact C-N 3.31Å
82	N	96.7	Very high	96.3	Very high	17 Å²	17	44.9 Å²	44.9	9%	0.091	28%	0.284	C	S	.	.			trans	-123.8	60.8	-170.2	-56.7	-76	0	0	0	111.7	T28 D29 V77 D78 N84 C86	T28-N82 WeakPolarHBondContact CA-OD1 3.42Å; T28-N82 WeakPolarHBondContact CB-OD1 3.2Å; D29-N82 PolarHBondContact N-OD1 3.32Å; D29-N82 WeakPolarHBondContact OD1-CA 3.41Å; D29-N82 WeakPolarHBondContact OD1-CB 3.47Å; V77-N82 HydrophobicContact CG1-CB 3.75Å; D78-N82 WeakPolarHBondContact O-CB 3.48Å; D78-N82 PolarHBondContact O-N 2.85Å; D78-N82 PolarHBondContact O-ND2 2.78Å; N82-N84 VanDerWaalsContact C-N 3.31Å; N82-N84 PolarHBondContact O-N 2.77Å; N82-C86 PolarHBondContact O-N 3.41Å; N82-C86 PolarHBondContact O-SG 2.86Å
83	S	94.6	Very high	96.4	Very high	69 Å²	69	46 Å²	46	48%	0.483	30%	0.297	S	S	.	.	H	α-helix	trans	-69.2	-25.6	-171.3	66.2	0	0	0	0	113.9	D29 S87	D29-S83 PolarHBondContact OD2-N 2.89Å; S83-S87 VanDerWaalsContact O-CB 3.26Å; S83-S87 WeakPolarHBondContact O-CB 3.21Å; S83-S87 PolarHBondContact O-N 2.79Å; S83-S87 PolarHBondContact O-OG 3.31Å
84	N	96.6	Very high	96.5	Very high	115 Å²	115	47.5 Å²	47.5	62%	0.615	30%	0.297	S	S	*	.	H	α-helix	trans	-71.3	-48.1	-177.3	-62	-49.3	0	0	0	110.7	D29 N82 C86 S87 K88	D29-N84 VanDerWaalsContact OD2-CB 3.3Å; D29-N84 WeakPolarHBondContact OD2-CB 3.44Å; D29-N84 PolarHBondContact OD2-N 3.18Å; D29-N84 VanDerWaalsContact OD2-N 3.14Å; D29-N84 PolarHBondContact OD2-ND2 3.22Å; N82-N84 VanDerWaalsContact C-N 3.31Å; N82-N84 PolarHBondContact O-N 2.77Å; N84-C86 PolarHBondContact O-N 2.85Å; N84-S87 PolarHBondContact O-N 2.86Å; N84-K88 WeakPolarHBondContact O-CB 3.28Å; N84-K88 PolarHBondContact O-N 2.86Å
85	T	96.3	Very high	96.4	Very high	8 Å²	8	47.6 Å²	47.6	5%	0.049	30%	0.298	C	S	.	.	H	α-helix	trans	-60.8	-47.6	177.7	-55.7	0	0	0	0	110.5	D29 F32 F46 S87 K88 Y89	D29-T85 WeakPolarHBondContact OD1-CB 3.32Å; D29-T85 PolarHBondContact OD1-N 2.93Å; D29-T85 PolarHBondContact OD1-OG1 2.92Å; F32-T85 HydrophobicContact CB-CG2 4.09Å; F32-T85 HydrophobicContact CD1-CG2 3.99Å; F32-T85 HydrophobicContact CD2-CG2 3.47Å; F32-T85 VanDerWaalsContact CD2-CG2 3.47Å; F32-T85 HydrophobicContact CE1-CG2 4.32Å; F32-T85 HydrophobicContact CE2-CG2 3.85Å; F32-T85 HydrophobicContact CG-CG2 3.56Å; F32-T85 HydrophobicContact CZ-CG2 4.26Å; F46-T85 HydrophobicContact CE1-CG2 4.04Å; T85-S87 VanDerWaalsContact C-N 3.33Å; T85-S87 PolarHBondContact O-N 3.38Å; T85-K88 WeakPolarHBondContact O-CB 3.48Å; T85-K88 PolarHBondContact O-N 3.39Å; T85-Y89 HydrophobicContact CG2-CD2 3.93Å; T85-Y89 HydrophobicContact CG2-CE2 3.92Å; T85-Y89 VanDerWaalsContact O-CD2 3.23Å; T85-Y89 WeakPolarHBondContact O-CD2 3.3Å; T85-Y89 PolarHBondContact O-N 3.04Å; T85-Y89 VanDerWaalsContact O-N 3.16Å
86	C	96.6	Very high	96.4	Very high	4 Å²	4	49.3 Å²	49.3	3%	0.027	31%	0.308	C	S	.	.	H	α-helix	trans	-64.3	-38	-179.3	-60.6	0	0	0	0	112.7	C79 N82 N84 G90 V91	C79-C86 WeakPolarHBondContact CA-SG 3.42Å; C79-C86 HydrophobicContact CB-CB 3.74Å; C79-C86 WeakPolarHBondContact CB-SG 3.34Å; C79-C86 WeakPolarHBondContact SG-CB 3.49Å; C79-C86 CovalentContact SG-SG 2.03Å; C79-C86 PolarHBondContact SG-SG 3.37Å; N82-C86 PolarHBondContact O-N 3.41Å; N82-C86 PolarHBondContact O-SG 2.86Å; N84-C86 PolarHBondContact O-N 2.85Å; C86-G90 PolarHBondContact O-N 3.4Å; C86-V91 HydrophobicContact CB-CB 4.15Å; C86-V91 HydrophobicContact CB-CG2 4.32Å; C86-V91 WeakPolarHBondContact O-CB 3.5Å; C86-V91 WeakPolarHBondContact O-CG2 3.27Å; C86-V91 PolarHBondContact O-N 2.85Å
87	S	95.9	Very high	96.4	Very high	90 Å²	90	47.7 Å²	47.7	63%	0.629	30%	0.302	S	S	*	.	H	α-helix	trans	-68.3	-41.6	175	-58.5	0	0	0	0	111.8	S83 N84 T85 Y89 G90	S83-S87 VanDerWaalsContact O-CB 3.26Å; S83-S87 WeakPolarHBondContact O-CB 3.21Å; S83-S87 PolarHBondContact O-N 2.79Å; S83-S87 PolarHBondContact O-OG 3.31Å; N84-S87 PolarHBondContact O-N 2.86Å; T85-S87 VanDerWaalsContact C-N 3.33Å; T85-S87 PolarHBondContact O-N 3.38Å; S87-Y89 VanDerWaalsContact C-N 3.29Å; S87-Y89 PolarHBondContact O-N 3.41Å; S87-G90 PolarHBondContact O-N 3.38Å
88	K	96.3	Very high	96.3	Very high	126 Å²	126	48.9 Å²	48.9	55%	0.548	31%	0.307	S	S	.	.	H	α-helix	trans	-56.4	-42.5	178.3	179.6	-179.5	174.2	-175	0	111.9	E33 N84 T85 G90	E33-K88 IonicContact OE1-NZ 3.26Å; E33-K88 PolarHBondContact OE1-NZ 3.08Å; E33-K88 IonicContact OE2-NZ 3.89Å; E33-K88 PolarHBondContact OE2-NZ 3.37Å; N84-K88 WeakPolarHBondContact O-CB 3.28Å; N84-K88 PolarHBondContact O-N 2.86Å; T85-K88 WeakPolarHBondContact O-CB 3.48Å; T85-K88 PolarHBondContact O-N 3.39Å; K88-G90 VanDerWaalsContact C-N 3.33Å
89	Y	96	Very high	96.1	Very high	25 Å²	25	47.3 Å²	47.3	10%	0.098	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	13.9	179.8	-62.2	-69.6	0	0	0	113.7	F32 E33 F46 T85 S87 V91 K98 F100 E105	F32-Y89 AromaticContact CD1-CE2 3.9Å; F32-Y89 HydrophobicContact CD1-CE2 3.9Å; F32-Y89 HydrophobicContact CE1-CD2 4.3Å; F32-Y89 AromaticContact CE1-CE2 3.37Å; F32-Y89 HydrophobicContact CE1-CE2 3.37Å; F32-Y89 AromaticContact CE1-CZ 3.7Å; F32-Y89 HydrophobicContact CZ-CD2 4.4Å; F32-Y89 AromaticContact CZ-CE2 3.89Å; F32-Y89 HydrophobicContact CZ-CE2 3.89Å; E33-Y89 PolarHBondContact OE1-OH 3.23Å; F46-Y89 HydrophobicContact CE1-CD2 4.46Å; F46-Y89 HydrophobicContact CZ-CD2 4.11Å; F46-Y89 HydrophobicContact CZ-CG 4.44Å; T85-Y89 HydrophobicContact CG2-CD2 3.93Å; T85-Y89 HydrophobicContact CG2-CE2 3.92Å; T85-Y89 VanDerWaalsContact O-CD2 3.23Å; T85-Y89 WeakPolarHBondContact O-CD2 3.3Å; T85-Y89 PolarHBondContact O-N 3.04Å; T85-Y89 VanDerWaalsContact O-N 3.16Å; S87-Y89 VanDerWaalsContact C-N 3.29Å; S87-Y89 PolarHBondContact O-N 3.41Å; Y89-V91 PolarHBondContact O-N 3.31Å; Y89-K98 WeakPolarHBondContact O-CE 3.45Å; Y89-K98 PolarHBondContact O-NZ 2.98Å; Y89-F100 AromaticContact CD1-CE1 3.93Å; Y89-F100 HydrophobicContact CD1-CE1 3.93Å; Y89-F100 AromaticContact CD1-CZ 3.89Å; Y89-F100 HydrophobicContact CD1-CZ 3.89Å; Y89-F100 HydrophobicContact CD2-CZ 4.29Å; Y89-F100 AromaticContact CE1-CE1 3.49Å; Y89-F100 HydrophobicContact CE1-CE1 3.49Å; Y89-F100 VanDerWaalsContact CE1-CE1 3.49Å; Y89-F100 AromaticContact CE1-CZ 3.91Å; Y89-F100 HydrophobicContact CE1-CZ 3.91Å; Y89-F100 HydrophobicContact CE2-CE1 4.32Å; Y89-F100 HydrophobicContact CE2-CZ 4.31Å; Y89-F100 HydrophobicContact CG-CZ 4.11Å; Y89-F100 AromaticContact CZ-CE1 3.72Å; Y89-E105 WeakPolarHBondContact CD1-OE2 3.39Å
90	G	95.6	Very high	96	Very high	58 Å²	58	46.9 Å²	46.9	60%	0.598	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	34.4	171.2	0	0	0	0	0	114.7	C86 S87 K88 S92	C86-G90 PolarHBondContact O-N 3.4Å; S87-G90 PolarHBondContact O-N 3.38Å; K88-G90 VanDerWaalsContact C-N 3.33Å; G90-S92 PolarHBondContact O-N 2.99Å
91	V	96.5	Very high	95.7	Very high	20 Å²	20	45.9 Å²	45.9	12%	0.121	28%	0.283	C	S	.	.			trans	-74.8	112.4	179.3	-179.5	0	0	0	0	110.3	F46 C86 Y89 Y94 T96	F46-V91 HydrophobicContact CB-CB 4.47Å; F46-V91 HydrophobicContact CB-CG1 3.92Å; F46-V91 HydrophobicContact CB-CG2 3.75Å; F46-V91 HydrophobicContact CD1-CG2 3.85Å; F46-V91 HydrophobicContact CD2-CG2 3.96Å; F46-V91 HydrophobicContact CE1-CG2 4.43Å; F46-V91 HydrophobicContact CG-CG2 3.57Å; C86-V91 HydrophobicContact CB-CB 4.15Å; C86-V91 HydrophobicContact CB-CG2 4.32Å; C86-V91 WeakPolarHBondContact O-CB 3.5Å; C86-V91 WeakPolarHBondContact O-CG2 3.27Å; C86-V91 PolarHBondContact O-N 2.85Å; Y89-V91 PolarHBondContact O-N 3.31Å; V91-Y94 HydrophobicContact CG1-CD1 4.06Å; V91-Y94 HydrophobicContact CG1-CE1 3.72Å; V91-T96 HydrophobicContact CG2-CG2 4.41Å
92	S	94	Very high	95.3	Very high	126 Å²	126	47.7 Å²	47.7	88%	0.881	28%	0.283	S	S	*	.			trans	-109.7	-3.3	179.3	64.4	0	0	0	0	114.3	G90	G90-S92 PolarHBondContact O-N 2.99Å
93	G	94.7	Very high	94.9	Very high	29 Å²	29	47.8 Å²	47.8	30%	0.299	29%	0.288	S	S	.	.	S	Bend	trans	-162.2	163.9	-177.4	0	0	0	0	0	112.6	T96	G93-T96 PolarHBondContact O-OG1 2.82Å
94	Y	96.4	Very high	94.7	Very high	69 Å²	69	51.8 Å²	51.8	27%	0.271	30%	0.299	S	S	.	.	S	Bend	trans	-127.9	142.4	-172.3	-50.6	-57.9	0	0	0	113	A48 W50 C51 C79 V91	A48-Y94 HydrophobicContact CB-CD2 3.61Å; A48-Y94 HydrophobicContact CB-CE2 3.74Å; A48-Y94 HydrophobicContact CB-CG 4.11Å; W50-Y94 HydrophobicContact CH2-CD2 4.04Å; W50-Y94 HydrophobicContact CH2-CE2 4.21Å; W50-Y94 HydrophobicContact CZ2-CD2 4.19Å; W50-Y94 HydrophobicContact CZ2-CE2 4.01Å; C51-Y94 PolarHBondContact SG-O 3.32Å; C51-Y94 VanDerWaalsContact SG-O 3.39Å; C79-Y94 HydrophobicContact CB-CE1 3.56Å; C79-Y94 WeakPolarHBondContact CB-OH 3.44Å; V91-Y94 HydrophobicContact CG1-CD1 4.06Å; V91-Y94 HydrophobicContact CG1-CE1 3.72Å
95	P	96.4	Very high	94.4	Very high	4 Å²	4	50.3 Å²	50.3	3%	0.026	29%	0.288	C	S	.	.	S	Bend	cis	-71.7	146.3	-14.6	28.9	-32.4	0	0	0	110.8	E45 F46 H53 C54 L57 R113	E45-P95 HydrophobicContact CG-CB 4.13Å; F46-P95 WeakPolarHBondContact O-CA 3.05Å; H53-P95 VanDerWaalsContact CB-CD 3.49Å; H53-P95 HydrophobicContact CB-CG 4.49Å; C54-P95 VanDerWaalsContact SG-CD 3.52Å; C54-P95 VanDerWaalsContact SG-N 3.41Å; L57-P95 HydrophobicContact CD2-CB 3.93Å; L57-P95 HydrophobicContact CD2-CG 3.75Å; P95-R113 VanDerWaalsContact CD-NH1 3.29Å; P95-R113 VanDerWaalsContact CG-NH1 3.3Å; P95-R113 PolarHBondContact O-NH2 3.13Å; P95-R113 VanDerWaalsContact O-NH2 3.12Å
96	T	97.6	Very high	94	Very high	36 Å²	36	52.8 Å²	52.8	22%	0.221	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126.4	165.7	-69.7	0	0	0	0	107.9	F46 V91 G93 K98	F46-T96 PolarHBondContact N-O 2.88Å; F46-T96 PolarHBondContact O-N 3.28Å; V91-T96 HydrophobicContact CG2-CG2 4.41Å; G93-T96 PolarHBondContact O-OG1 2.82Å; T96-K98 HydrophobicContact CG2-CD 4.44Å; T96-K98 HydrophobicContact CG2-CG 4.17Å
97	L	97.8	Very high	93.6	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.042	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.3	-179.8	-65.5	179.6	0	0	0	108.7	L43 V44 E45 L57 Y61 Y109	L43-L97 HydrophobicContact CD1-CB 4.31Å; V44-L97 WeakPolarHBondContact O-CA 3.28Å; E45-L97 HydrophobicContact CB-CD2 3.56Å; E45-L97 HydrophobicContact CG-CD2 3.72Å; L57-L97 HydrophobicContact CD2-CD1 4.04Å; L57-L97 HydrophobicContact CD2-CD2 4.15Å; L57-L97 HydrophobicContact CD2-CG 4.36Å; Y61-L97 HydrophobicContact CD2-CD2 4.4Å; Y61-L97 HydrophobicContact CE2-CD2 3.74Å; L97-Y109 HydrophobicContact CB-CD1 4.06Å; L97-Y109 HydrophobicContact CB-CG 4.4Å; L97-Y109 HydrophobicContact CD1-CD1 3.41Å; L97-Y109 VanDerWaalsContact CD1-CD1 3.41Å; L97-Y109 HydrophobicContact CD1-CE1 3.89Å; L97-Y109 HydrophobicContact CD1-CG 4.4Å; L97-Y109 HydrophobicContact CG-CD1 4.36Å; L97-Y109 PolarHBondContact O-N 3.11Å
98	K	96.8	Very high	93.5	Very high	25 Å²	25	52.6 Å²	52.6	11%	0.109	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	141.4	178.8	-70.5	173.7	175.9	-88.4	0	111	V44 F46 Y89 T96 F100 E105	V44-K98 PolarHBondContact N-O 3.02Å; V44-K98 PolarHBondContact O-N 3.08Å; F46-K98 HydrophobicContact CD2-CD 4.29Å; F46-K98 HydrophobicContact CE2-CB 4.12Å; F46-K98 HydrophobicContact CE2-CD 3.82Å; F46-K98 HydrophobicContact CE2-CG 4.3Å; Y89-K98 WeakPolarHBondContact O-CE 3.45Å; Y89-K98 PolarHBondContact O-NZ 2.98Å; T96-K98 HydrophobicContact CG2-CD 4.44Å; T96-K98 HydrophobicContact CG2-CG 4.17Å; K98-F100 HydrophobicContact CB-CD2 4.48Å; K98-F100 HydrophobicContact CB-CE2 3.82Å; K98-F100 HydrophobicContact CB-CZ 4.5Å; K98-E105 IonicContact NZ-OE1 2.8Å; K98-E105 PolarHBondContact NZ-OE1 3.13Å; K98-E105 IonicContact NZ-OE2 2.85Å; K98-E105 PolarHBondContact NZ-OE2 2.77Å
99	I	95	Very high	93.3	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	135	177.7	-56.8	148.9	0	0	0	107.4	I41 L43 S106 G107 F123	I41-I99 HydrophobicContact CD1-CG2 4.05Å; I41-I99 HydrophobicContact CG1-CG2 3.97Å; L43-I99 HydrophobicContact CD1-CG1 3.74Å; I99-S106 PolarHBondContact O-N 3.15Å; I99-G107 PolarHBondContact N-O 3.31Å; I99-F123 HydrophobicContact CD1-CE1 3.36Å; I99-F123 HydrophobicContact CD1-CZ 3.64Å; I99-F123 HydrophobicContact CG1-CE1 4.25Å
100	F	94.5	Very high	92.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.6	171	-65.8	-104.5	0	0	0	109.1	F32 I36 I41 I42 V44 F46 Y89 K98 E104 E105	F32-F100 HydrophobicContact CE1-CE1 4.09Å; F32-F100 HydrophobicContact CE1-CZ 4.2Å; F32-F100 HydrophobicContact CZ-CE1 4.07Å; F32-F100 HydrophobicContact CZ-CE2 4.09Å; F32-F100 AromaticContact CZ-CZ 3.74Å; F32-F100 HydrophobicContact CZ-CZ 3.74Å; I36-F100 HydrophobicContact CD1-CB 3.85Å; I36-F100 HydrophobicContact CD1-CD1 4.07Å; I36-F100 HydrophobicContact CD1-CD2 3.99Å; I36-F100 HydrophobicContact CD1-CG 3.71Å; I36-F100 HydrophobicContact CG1-CB 3.88Å; I36-F100 HydrophobicContact CG1-CD1 3.75Å; I36-F100 HydrophobicContact CG1-CE1 4.43Å; I36-F100 HydrophobicContact CG1-CG 3.82Å; I41-F100 WeakPolarHBondContact CA-O 3.2Å; I42-F100 HydrophobicContact CG2-CB 3.7Å; I42-F100 PolarHBondContact N-O 3.23Å; I42-F100 PolarHBondContact O-N 2.97Å; V44-F100 HydrophobicContact CB-CD2 4.18Å; V44-F100 HydrophobicContact CB-CE2 3.91Å; V44-F100 HydrophobicContact CG2-CD2 3.52Å; V44-F100 HydrophobicContact CG2-CE2 3.64Å; F46-F100 HydrophobicContact CE2-CE2 4.25Å; F46-F100 HydrophobicContact CZ-CE2 4.36Å; F46-F100 HydrophobicContact CZ-CZ 4.31Å; Y89-F100 AromaticContact CD1-CE1 3.93Å; Y89-F100 HydrophobicContact CD1-CE1 3.93Å; Y89-F100 AromaticContact CD1-CZ 3.89Å; Y89-F100 HydrophobicContact CD1-CZ 3.89Å; Y89-F100 HydrophobicContact CD2-CZ 4.29Å; Y89-F100 AromaticContact CE1-CE1 3.49Å; Y89-F100 HydrophobicContact CE1-CE1 3.49Å; Y89-F100 VanDerWaalsContact CE1-CE1 3.49Å; Y89-F100 AromaticContact CE1-CZ 3.91Å; Y89-F100 HydrophobicContact CE1-CZ 3.91Å; Y89-F100 HydrophobicContact CE2-CE1 4.32Å; Y89-F100 HydrophobicContact CE2-CZ 4.31Å; Y89-F100 HydrophobicContact CG-CZ 4.11Å; Y89-F100 AromaticContact CZ-CE1 3.72Å; K98-F100 HydrophobicContact CB-CD2 4.48Å; K98-F100 HydrophobicContact CB-CE2 3.82Å; K98-F100 HydrophobicContact CB-CZ 4.5Å; F100-E104 CarbonylContact C-O 3.54Å; F100-E104 WeakPolarHBondContact CA-O 3.39Å; F100-E105 HydrophobicContact CD1-CB 4.36Å; F100-E105 HydrophobicContact CE1-CB 4.1Å
101	R	89.7	Confident	92.2	Very high	57 Å²	57	51.3 Å²	51.3	22%	0.215	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	124.1	176.7	-178.9	178.7	-65.7	-84.7	2	108.4	E40 G103 E104 Q127	E40-R101 VanDerWaalsContact O-CA 3.25Å; E40-R101 WeakPolarHBondContact O-CA 3.1Å; E40-R101 VanDerWaalsContact O-CG 3.29Å; E40-R101 WeakPolarHBondContact O-CG 3.32Å; R101-G103 PolarHBondContact O-N 2.94Å; R101-G103 VanDerWaalsContact O-N 3.12Å; R101-E104 PolarHBondContact N-O 2.92Å; R101-E104 PolarHBondContact O-N 3.27Å; R101-Q127 PolarHBondContact NH2-O 3.43Å
102	D	86.5	Confident	91.8	Very high	109 Å²	109	53.3 Å²	53.3	58%	0.583	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	37.1	-179.2	-54.8	-49.5	0	0	0	113.1	E40 E104	E40-D102 PolarHBondContact O-N 2.73Å; D102-E104 VanDerWaalsContact C-N 3.33Å; D102-E104 PolarHBondContact O-N 3.04Å
103	G	89.7	Confident	91.7	Very high	20 Å²	20	52.9 Å²	52.9	21%	0.206	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-6.3	-179.2	0	0	0	0	0	116.2	R101	R101-G103 PolarHBondContact O-N 2.94Å; R101-G103 VanDerWaalsContact O-N 3.12Å
104	E	89.8	Confident	91.6	Very high	152 Å²	152	54.4 Å²	54.4	71%	0.71	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102	150.1	177.9	-63.3	-167.1	167.8	0	0	112.3	F100 R101 D102 S106	F100-E104 CarbonylContact C-O 3.54Å; F100-E104 WeakPolarHBondContact CA-O 3.39Å; R101-E104 PolarHBondContact N-O 2.92Å; R101-E104 PolarHBondContact O-N 3.27Å; D102-E104 VanDerWaalsContact C-N 3.33Å; D102-E104 PolarHBondContact O-N 3.04Å; E104-S106 PolarHBondContact O-N 2.89Å
105	E	91.1	Very high	91.1	Very high	84 Å²	84	51.2 Å²	51.2	39%	0.393	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	121.4	175.7	-175.6	178.2	162.5	0	0	110.3	Y89 K98 F100	Y89-E105 WeakPolarHBondContact CD1-OE2 3.39Å; K98-E105 IonicContact NZ-OE1 2.8Å; K98-E105 PolarHBondContact NZ-OE1 3.13Å; K98-E105 IonicContact NZ-OE2 2.85Å; K98-E105 PolarHBondContact NZ-OE2 2.77Å; F100-E105 HydrophobicContact CD1-CB 4.36Å; F100-E105 HydrophobicContact CE1-CB 4.1Å
106	S	87.8	Confident	90.1	Very high	60 Å²	60	52.3 Å²	52.3	42%	0.42	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	13.8	-179.4	-173.9	0	0	0	0	112.8	I99 E104	I99-S106 PolarHBondContact O-N 3.15Å; E104-S106 PolarHBondContact O-N 2.89Å
107	G	88.5	Confident	88.2	Confident	20 Å²	20	57.7 Å²	57.7	21%	0.206	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	106.9	173.9	176.9	0	0	0	0	0	115	I99	I99-G107 PolarHBondContact N-O 3.31Å
108	P	92.6	Very high	86.8	Confident	70 Å²	70	62.8 Å²	62.8	46%	0.455	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	159.8	177.9	32.6	-35.7	0	0	0	112.1	D110	P108-D110 WeakPolarHBondContact CG-OD2 3.2Å
109	Y	92.1	Very high	86.2	Confident	12 Å²	12	61.7 Å²	61.7	5%	0.047	34%	0.338	C	S	.	.			trans	-97.5	108.5	160.5	170	-95.4	0	0	0	109.4	L43 L97 G111 P112 I120 F123	L43-Y109 HydrophobicContact CD1-CG 4.44Å; L97-Y109 HydrophobicContact CB-CD1 4.06Å; L97-Y109 HydrophobicContact CB-CG 4.4Å; L97-Y109 HydrophobicContact CD1-CD1 3.41Å; L97-Y109 VanDerWaalsContact CD1-CD1 3.41Å; L97-Y109 HydrophobicContact CD1-CE1 3.89Å; L97-Y109 HydrophobicContact CD1-CG 4.4Å; L97-Y109 HydrophobicContact CG-CD1 4.36Å; L97-Y109 PolarHBondContact O-N 3.11Å; Y109-G111 WeakPolarHBondContact CE1-O 3.15Å; Y109-G111 VanDerWaalsContact CZ-CA 3.46Å; Y109-P112 PolarHBondContact OH-O 3.22Å; Y109-I120 HydrophobicContact CE1-CG1 3.91Å; Y109-I120 PolarHBondContact OH-N 2.92Å; Y109-F123 HydrophobicContact CD2-CB 4.44Å; Y109-F123 AromaticContact CD2-CD1 3.54Å; Y109-F123 HydrophobicContact CD2-CD1 3.54Å; Y109-F123 HydrophobicContact CD2-CD2 4.34Å; Y109-F123 AromaticContact CD2-CE1 3.82Å; Y109-F123 HydrophobicContact CD2-CE1 3.82Å; Y109-F123 AromaticContact CD2-CG 3.84Å; Y109-F123 HydrophobicContact CD2-CG 3.84Å; Y109-F123 HydrophobicContact CD2-CZ 4.31Å; Y109-F123 HydrophobicContact CE2-CB 3.77Å; Y109-F123 AromaticContact CE2-CD1 3.75Å; Y109-F123 HydrophobicContact CE2-CD1 3.75Å; Y109-F123 HydrophobicContact CE2-CD2 4.22Å; Y109-F123 HydrophobicContact CE2-CE1 4.44Å; Y109-F123 AromaticContact CE2-CG 3.63Å; Y109-F123 HydrophobicContact CE2-CG 3.63Å
110	D	83.1	Confident	86.1	Confident	144 Å²	144	61.4 Å²	61.4	77%	0.77	34%	0.336	S	S	*	.			trans	-99.2	8.8	-179	-65.2	-40.6	0	0	0	113.4	P108	P108-D110 WeakPolarHBondContact CG-OD2 3.2Å
111	G	85.4	Confident	85.9	Confident	26 Å²	26	62 Å²	62	27%	0.268	34%	0.34	S	S	.	.	S	Bend	trans	-79.7	175	-178.9	0	0	0	0	0	114.8	Y109	Y109-G111 WeakPolarHBondContact CE1-O 3.15Å; Y109-G111 VanDerWaalsContact CZ-CA 3.46Å
112	P	87.5	Confident	85.7	Confident	63 Å²	63	62.2 Å²	62.2	41%	0.409	35%	0.35	S	S	.	.			trans	-57.6	138.8	176.3	-26.5	36.4	0	0	0	113.2	Y109 T114 D118	Y109-P112 PolarHBondContact OH-O 3.22Å; P112-T114 PolarHBondContact O-N 3.4Å; P112-D118 WeakPolarHBondContact CD-O 3.45Å; P112-D118 VanDerWaalsContact CG-O 3.28Å; P112-D118 WeakPolarHBondContact CG-O 3.07Å
113	R	92.8	Very high	85.7	Confident	117 Å²	117	59.5 Å²	59.5	44%	0.442	33%	0.333	S	S	.	.	S	Bend	trans	-82.4	50.5	-177.9	-65.6	-178.5	-175.6	-175.6	-7.2	112.8	L57 P95	L57-R113 HydrophobicContact CD1-CB 3.96Å; P95-R113 VanDerWaalsContact CD-NH1 3.29Å; P95-R113 VanDerWaalsContact CG-NH1 3.3Å; P95-R113 PolarHBondContact O-NH2 3.13Å; P95-R113 VanDerWaalsContact O-NH2 3.12Å
114	T	91.6	Very high	85.7	Confident	60 Å²	60	58.6 Å²	58.6	37%	0.368	32%	0.324	S	S	.	.	S	Bend	trans	-128.7	158.7	179.3	73.4	0	0	0	0	110.9	E60 P112 G116 G119 I120	E60-T114 WeakPolarHBondContact OE2-CA 3.48Å; P112-T114 PolarHBondContact O-N 3.4Å; T114-G116 VanDerWaalsContact C-N 3.29Å; T114-G119 CarbonylContact O-C 3.54Å; T114-G119 VanDerWaalsContact O-CA 3.27Å; T114-G119 WeakPolarHBondContact O-CA 3.2Å; T114-I120 PolarHBondContact O-N 3.24Å
115	A	86.6	Confident	85.5	Confident	2 Å²	2	56.6 Å²	56.6	2%	0.017	31%	0.313	C	S	.	.	S	Bend	trans	-82.1	-6	176.7	0	0	0	0	0	113.7	E60 A63 A64 R67 V121	E60-A115 WeakPolarHBondContact O-CB 3.35Å; E60-A115 WeakPolarHBondContact OE2-CB 3.33Å; E60-A115 PolarHBondContact OE2-N 2.84Å; A63-A115 HydrophobicContact CB-CB 3.82Å; A64-A115 HydrophobicContact CB-CB 4.24Å; R67-A115 PolarHBondContact NH1-O 2.9Å; A115-V121 WeakPolarHBondContact O-CG2 3.25Å
116	G	75.7	Confident	85.1	Confident	27 Å²	27	56 Å²	56	28%	0.278	31%	0.309	S	S	.	.	S	Bend	trans	-82.9	-163.3	-162	0	0	0	0	0	116	T114 D118 G119	T114-G116 VanDerWaalsContact C-N 3.29Å; G116-D118 PolarHBondContact O-N 3.49Å; G116-G119 PolarHBondContact O-N 3.17Å; G116-G119 VanDerWaalsContact O-N 3.11Å
117	K	58.7	Low	84.9	Confident	149 Å²	149	53.6 Å²	53.6	65%	0.648	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-28.3	-176.5	-168	-174.1	173.2	-159.4	0	113.3	S122	K117-S122 WeakPolarHBondContact O-CB 3.5Å; K117-S122 PolarHBondContact O-OG 3.18Å
118	D	67.9	Low	84.6	Confident	116 Å²	116	53.8 Å²	53.8	62%	0.62	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	12.7	-177.3	-42.6	-45	0	0	0	111.9	P112 G116	P112-D118 WeakPolarHBondContact CD-O 3.45Å; P112-D118 VanDerWaalsContact CG-O 3.28Å; P112-D118 WeakPolarHBondContact CG-O 3.07Å; G116-D118 PolarHBondContact O-N 3.49Å
119	G	84.4	Confident	84.1	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.01	28%	0.282	C	S	.	.	S	Bend	trans	-116.9	-151.9	-173.5	0	0	0	0	0	113.8	T114 G116 V121 S122 F123	T114-G119 CarbonylContact O-C 3.54Å; T114-G119 VanDerWaalsContact O-CA 3.27Å; T114-G119 WeakPolarHBondContact O-CA 3.2Å; G116-G119 PolarHBondContact O-N 3.17Å; G116-G119 VanDerWaalsContact O-N 3.11Å; G119-V121 VanDerWaalsContact C-N 3.31Å; G119-V121 PolarHBondContact O-N 2.99Å; G119-S122 PolarHBondContact O-N 3.31Å; G119-F123 PolarHBondContact O-N 2.79Å; G119-F123 VanDerWaalsContact O-N 3.17Å
120	I	92.6	Very high	83.8	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-54.1	-43.9	-169.5	-65.2	166.5	0	0	0	112.3	L43 L57 Y61 A64 L68 L74 Y109 T114 L124	L43-I120 HydrophobicContact CD2-CG2 3.69Å; L57-I120 HydrophobicContact CD1-CD1 4.11Å; Y61-I120 HydrophobicContact CD2-CD1 3.81Å; Y61-I120 HydrophobicContact CE2-CD1 4.33Å; A64-I120 HydrophobicContact CB-CB 3.96Å; A64-I120 HydrophobicContact CB-CD1 4.45Å; A64-I120 HydrophobicContact CB-CG2 3.74Å; L68-I120 HydrophobicContact CD1-CG2 4.41Å; L74-I120 HydrophobicContact CD2-CG2 4.23Å; Y109-I120 HydrophobicContact CE1-CG1 3.91Å; Y109-I120 PolarHBondContact OH-N 2.92Å; T114-I120 PolarHBondContact O-N 3.24Å; I120-L124 HydrophobicContact CG2-CD1 3.57Å; I120-L124 HydrophobicContact CG2-CG 4.24Å; I120-L124 WeakPolarHBondContact O-CB 3.47Å; I120-L124 WeakPolarHBondContact O-CG 3.28Å; I120-L124 PolarHBondContact O-N 3.13Å
121	V	90.6	Very high	84.2	Confident	14 Å²	14	49.5 Å²	49.5	9%	0.085	28%	0.279	C	S	.	.	H	α-helix	trans	-64.7	-44.4	-176.4	176.5	0	0	0	0	112	A64 R67 L68 A115 G119 K125	A64-V121 HydrophobicContact CB-CG2 3.83Å; R67-V121 HydrophobicContact CB-CG1 4.31Å; R67-V121 HydrophobicContact CB-CG2 3.84Å; L68-V121 HydrophobicContact CD1-CG2 4.31Å; L68-V121 HydrophobicContact CD2-CG1 4.04Å; L68-V121 HydrophobicContact CG-CB 4.45Å; L68-V121 HydrophobicContact CG-CG1 4.26Å; L68-V121 HydrophobicContact CG-CG2 4.18Å; A115-V121 WeakPolarHBondContact O-CG2 3.25Å; G119-V121 VanDerWaalsContact C-N 3.31Å; G119-V121 PolarHBondContact O-N 2.99Å; V121-K125 HydrophobicContact CG1-CD 4.17Å; V121-K125 WeakPolarHBondContact O-CB 3.36Å; V121-K125 VanDerWaalsContact O-CG 3.31Å; V121-K125 WeakPolarHBondContact O-CG 3.43Å; V121-K125 PolarHBondContact O-N 3.27Å
122	S	84.7	Confident	84.6	Confident	60 Å²	60	48.3 Å²	48.3	42%	0.42	27%	0.266	S	S	.	.	H	α-helix	trans	-65.9	-48.1	-178.5	-169.8	0	0	0	0	110.6	K117 G119 K125 K126	K117-S122 WeakPolarHBondContact O-CB 3.5Å; K117-S122 PolarHBondContact O-OG 3.18Å; G119-S122 PolarHBondContact O-N 3.31Å; S122-K125 PolarHBondContact O-N 3.04Å; S122-K126 PolarHBondContact O-N 3.01Å; S122-K126 VanDerWaalsContact O-N 3.09Å
123	F	87.2	Confident	85	Confident	53 Å²	53	48.4 Å²	48.4	23%	0.232	27%	0.265	C	S	.	.	H	α-helix	trans	-59.8	-51.3	178	178.5	-86.7	0	0	0	112	I99 Y109 G119 K125 K126 Q127	I99-F123 HydrophobicContact CD1-CE1 3.36Å; I99-F123 HydrophobicContact CD1-CZ 3.64Å; I99-F123 HydrophobicContact CG1-CE1 4.25Å; Y109-F123 HydrophobicContact CD2-CB 4.44Å; Y109-F123 AromaticContact CD2-CD1 3.54Å; Y109-F123 HydrophobicContact CD2-CD1 3.54Å; Y109-F123 HydrophobicContact CD2-CD2 4.34Å; Y109-F123 AromaticContact CD2-CE1 3.82Å; Y109-F123 HydrophobicContact CD2-CE1 3.82Å; Y109-F123 AromaticContact CD2-CG 3.84Å; Y109-F123 HydrophobicContact CD2-CG 3.84Å; Y109-F123 HydrophobicContact CD2-CZ 4.31Å; Y109-F123 HydrophobicContact CE2-CB 3.77Å; Y109-F123 AromaticContact CE2-CD1 3.75Å; Y109-F123 HydrophobicContact CE2-CD1 3.75Å; Y109-F123 HydrophobicContact CE2-CD2 4.22Å; Y109-F123 HydrophobicContact CE2-CE1 4.44Å; Y109-F123 AromaticContact CE2-CG 3.63Å; Y109-F123 HydrophobicContact CE2-CG 3.63Å; G119-F123 PolarHBondContact O-N 2.79Å; G119-F123 VanDerWaalsContact O-N 3.17Å; F123-K125 PolarHBondContact O-N 2.71Å; F123-K126 WeakPolarHBondContact O-CA 3.18Å; F123-K126 VanDerWaalsContact O-CB 3.31Å; F123-K126 WeakPolarHBondContact O-CB 3.48Å; F123-K126 PolarHBondContact O-N 2.89Å; F123-K126 VanDerWaalsContact O-N 3.11Å; F123-Q127 HydrophobicContact CD1-CG 3.99Å; F123-Q127 HydrophobicContact CE1-CG 3.46Å; F123-Q127 VanDerWaalsContact CE1-CG 3.46Å; F123-Q127 HydrophobicContact CE2-CG 4.45Å; F123-Q127 HydrophobicContact CZ-CG 3.74Å; F123-Q127 WeakPolarHBondContact O-CG 3.5Å; F123-Q127 PolarHBondContact O-N 3.33Å
124	L	89.4	Confident	85.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-69.3	-31.9	-176.4	-69.5	176.9	0	0	0	112.8	L43 L68 V72 L74 I120 K126 Q127 A128	L43-L124 HydrophobicContact CB-CD1 3.72Å; L43-L124 HydrophobicContact CB-CD2 4.1Å; L43-L124 HydrophobicContact CD2-CD1 3.79Å; L43-L124 HydrophobicContact CG-CD1 4.34Å; L68-L124 HydrophobicContact CD1-CB 3.89Å; L68-L124 HydrophobicContact CD1-CD1 3.5Å; L68-L124 VanDerWaalsContact CD1-CD1 3.5Å; L68-L124 HydrophobicContact CD1-CG 4.32Å; L68-L124 HydrophobicContact CD2-CB 4.34Å; V72-L124 HydrophobicContact CB-CB 4.28Å; V72-L124 HydrophobicContact CG1-CB 4.14Å; V72-L124 HydrophobicContact CG1-CD1 3.84Å; V72-L124 HydrophobicContact CG1-CD2 4.22Å; V72-L124 HydrophobicContact CG1-CG 4.3Å; V72-L124 HydrophobicContact CG2-CB 3.95Å; L74-L124 HydrophobicContact CD1-CD1 3.71Å; L74-L124 HydrophobicContact CG-CD1 4.49Å; I120-L124 HydrophobicContact CG2-CD1 3.57Å; I120-L124 HydrophobicContact CG2-CG 4.24Å; I120-L124 WeakPolarHBondContact O-CB 3.47Å; I120-L124 WeakPolarHBondContact O-CG 3.28Å; I120-L124 PolarHBondContact O-N 3.13Å; L124-K126 VanDerWaalsContact C-N 3.33Å; L124-Q127 PolarHBondContact O-N 2.88Å; L124-A128 WeakPolarHBondContact O-CB 3.25Å; L124-A128 PolarHBondContact O-N 3.48Å
125	K	86.3	Confident	85.5	Confident	111 Å²	111	45 Å²	45	48%	0.483	25%	0.25	S	S	.	.	H	α-helix	trans	-62.4	-41.7	170	-78.9	-178.4	176.6	-173.9	0	111.8	L68 V121 S122 F123 Q127 A128 G129	L68-K125 HydrophobicContact CD2-CG 3.73Å; V121-K125 HydrophobicContact CG1-CD 4.17Å; V121-K125 WeakPolarHBondContact O-CB 3.36Å; V121-K125 VanDerWaalsContact O-CG 3.31Å; V121-K125 WeakPolarHBondContact O-CG 3.43Å; V121-K125 PolarHBondContact O-N 3.27Å; S122-K125 PolarHBondContact O-N 3.04Å; F123-K125 PolarHBondContact O-N 2.71Å; K125-Q127 VanDerWaalsContact C-N 3.27Å; K125-Q127 PolarHBondContact O-N 2.92Å; K125-A128 PolarHBondContact O-N 3.42Å; K125-G129 PolarHBondContact O-N 2.97Å
126	K	81.8	Confident	85.9	Confident	71 Å²	71	51.1 Å²	51.1	31%	0.309	28%	0.277	S	S	.	.	H	α-helix	trans	-61.8	-36.9	174.4	-165.7	-172.2	-172.5	-163.3	0	111.3	S122 F123 L124 R175 D176 Y178	S122-K126 PolarHBondContact O-N 3.01Å; S122-K126 VanDerWaalsContact O-N 3.09Å; F123-K126 WeakPolarHBondContact O-CA 3.18Å; F123-K126 VanDerWaalsContact O-CB 3.31Å; F123-K126 WeakPolarHBondContact O-CB 3.48Å; F123-K126 PolarHBondContact O-N 2.89Å; F123-K126 VanDerWaalsContact O-N 3.11Å; L124-K126 VanDerWaalsContact C-N 3.33Å; K126-R175 WeakPolarHBondContact CE-O 3.43Å; K126-R175 PolarHBondContact NZ-O 2.88Å; K126-R175 PolarHBondContact O-NH2 3.08Å; K126-D176 PolarHBondContact NZ-O 3.25Å; K126-Y178 WeakPolarHBondContact CE-O 3.43Å; K126-Y178 PolarHBondContact NZ-O 2.84Å
127	Q	83.9	Confident	86.9	Confident	9 Å²	9	53.2 Å²	53.2	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-77.6	-30.8	178.6	-68.4	-58.7	-22.5	0	0	115	I41 R101 F123 L124 K125 R175 D176	I41-Q127 HydrophobicContact CD1-CB 3.37Å; I41-Q127 HydrophobicContact CD1-CG 4.46Å; R101-Q127 PolarHBondContact NH2-O 3.43Å; F123-Q127 HydrophobicContact CD1-CG 3.99Å; F123-Q127 HydrophobicContact CE1-CG 3.46Å; F123-Q127 VanDerWaalsContact CE1-CG 3.46Å; F123-Q127 HydrophobicContact CE2-CG 4.45Å; F123-Q127 HydrophobicContact CZ-CG 3.74Å; F123-Q127 WeakPolarHBondContact O-CG 3.5Å; F123-Q127 PolarHBondContact O-N 3.33Å; L124-Q127 PolarHBondContact O-N 2.88Å; K125-Q127 VanDerWaalsContact C-N 3.27Å; K125-Q127 PolarHBondContact O-N 2.92Å; Q127-R175 VanDerWaalsContact O-CZ 3.3Å; Q127-R175 PolarHBondContact O-NH1 3.39Å; Q127-R175 PolarHBondContact O-NH2 3.42Å; Q127-D176 PolarHBondContact NE2-OD1 3.32Å
128	A	82.8	Confident	88.7	Confident	24 Å²	24	51.9 Å²	51.9	20%	0.198	28%	0.28	C	S	.	.	H	α-helix	trans	-82.3	-26.9	177.7	0	0	0	0	0	113.2	I41 T71 V72 L124 K125	I41-A128 HydrophobicContact CG2-CB 3.91Å; T71-A128 HydrophobicContact CG2-CB 4.07Å; V72-A128 HydrophobicContact CG2-CB 3.46Å; V72-A128 VanDerWaalsContact CG2-CB 3.46Å; L124-A128 WeakPolarHBondContact O-CB 3.25Å; L124-A128 PolarHBondContact O-N 3.48Å; K125-A128 PolarHBondContact O-N 3.42Å
129	G	81.1	Confident	90.1	Very high	27 Å²	27	47.7 Å²	47.7	28%	0.278	26%	0.264	S	S	.	.	S	Bend	trans	-64.5	168.8	176.3	0	0	0	0	0	112.8	K125 R175	K125-G129 PolarHBondContact O-N 2.97Å; G129-R175 PolarHBondContact O-NH2 2.92Å
130	P	86.9	Confident	90.7	Very high	89 Å²	89	50.5 Å²	50.5	58%	0.578	28%	0.279	S	S	*	.			trans	-60.2	150	168.4	29.5	-35.6	0	0	0	109.6	S132	P130-S132 WeakPolarHBondContact CB-O 3.34Å; P130-S132 WeakPolarHBondContact CG-O 3.34Å; P130-S132 PolarHBondContact O-N 3.48Å
131	A	89.6	Confident	90.9	Very high	20 Å²	20	51 Å²	51	17%	0.165	28%	0.282	C	S	.	.	S	Bend	trans	-56.5	-26.3	177	0	0	0	0	0	112.7	A171 S172 F180	A131-A171 HydrophobicContact CB-CB 4.19Å; A131-S172 VanDerWaalsContact CB-OG 3.29Å; A131-S172 WeakPolarHBondContact CB-OG 3.43Å; A131-F180 WeakPolarHBondContact O-CB 3.45Å
132	S	95.7	Very high	91.2	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.014	30%	0.303	C	S	.	.	S	Bend	trans	-136.7	129.1	172.5	-176.4	0	0	0	0	110	P130 F167 F180 A181 H182	P130-S132 WeakPolarHBondContact CB-O 3.34Å; P130-S132 WeakPolarHBondContact CG-O 3.34Å; P130-S132 PolarHBondContact O-N 3.48Å; S132-F167 WeakPolarHBondContact OG-CE1 3.43Å; S132-F180 WeakPolarHBondContact CA-O 3.34Å; S132-A181 WeakPolarHBondContact OG-CA 3.29Å; S132-A181 PolarHBondContact OG-N 3.31Å; S132-A181 PolarHBondContact OG-O 2.84Å; S132-H182 WeakPolarHBondContact CB-ND1 3.36Å; S132-H182 PolarHBondContact O-CE1 3.28Å; S132-H182 PolarHBondContact OG-N 3.04Å; S132-H182 PolarHBondContact OG-ND1 3.22Å
133	V	95.3	Very high	91.8	Very high	64 Å²	64	60.3 Å²	60.3	39%	0.388	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	129.5	179.6	-178.8	0	0	0	0	110.6	L135 F144 F180 A181 H182	V133-L135 HydrophobicContact CG1-CD2 4.44Å; V133-F144 HydrophobicContact CB-CE2 4.35Å; V133-F144 HydrophobicContact CG2-CE2 4.36Å; V133-F180 PolarHBondContact N-O 2.89Å; V133-A181 HydrophobicContact CB-CB 4.41Å; V133-A181 CarbonylContact O-C 3.45Å; V133-A181 WeakPolarHBondContact O-CA 3.49Å; V133-A181 VanDerWaalsContact O-CB 3.25Å; V133-A181 WeakPolarHBondContact O-CB 3.31Å; V133-H182 PolarHBondContact O-N 3.17Å
134	E	96.8	Very high	92.2	Very high	99 Å²	99	58.8 Å²	58.8	46%	0.463	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	124.1	174.3	-169.4	-165.1	176	0	0	110.7	K136 H182	E134-K136 WeakPolarHBondContact OE1-CE 3.49Å; E134-K136 WeakPolarHBondContact OE2-CE 3.3Å; E134-K136 IonicContact OE2-NZ 2.65Å; E134-K136 PolarHBondContact OE2-NZ 3.38Å; E134-H182 CarbonylContact C-O 3.43Å; E134-H182 WeakPolarHBondContact CA-O 3.5Å
135	L	97.6	Very high	92.6	Very high	6 Å²	6	60.6 Å²	60.6	3%	0.031	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-101.8	120.5	177.1	-50.3	173.3	0	0	0	109.5	V133 D140 F141 F144 I153 A181 H182 T183 L188	V133-L135 HydrophobicContact CG1-CD2 4.44Å; L135-D140 HydrophobicContact CB-CB 4.41Å; L135-D140 HydrophobicContact CD2-CB 4.19Å; L135-F141 HydrophobicContact CD1-CB 4.31Å; L135-F141 HydrophobicContact CD1-CD2 4.19Å; L135-F144 HydrophobicContact CD1-CB 4.47Å; L135-F144 HydrophobicContact CD2-CB 4Å; L135-F144 HydrophobicContact CD2-CD2 4.3Å; L135-F144 HydrophobicContact CD2-CG 4.19Å; L135-I153 HydrophobicContact CD1-CD1 4.1Å; L135-I153 HydrophobicContact CD1-CG2 4.11Å; L135-A181 HydrophobicContact CD1-CB 3.65Å; L135-A181 HydrophobicContact CD2-CB 4.05Å; L135-A181 HydrophobicContact CG-CB 3.77Å; L135-H182 PolarHBondContact N-O 3.19Å; L135-T183 VanDerWaalsContact O-CB 3.29Å; L135-T183 WeakPolarHBondContact O-CB 3.32Å; L135-T183 PolarHBondContact O-OG1 3.47Å; L135-L188 HydrophobicContact CB-CD1 4.31Å
136	K	95.9	Very high	93	Very high	132 Å²	132	58.8 Å²	58.8	57%	0.574	32%	0.324	S	S	*	.			trans	-101.5	-26.3	-174.6	-63.3	-174.1	178.3	-176.1	0	113.1	E134 D140	E134-K136 WeakPolarHBondContact OE1-CE 3.49Å; E134-K136 WeakPolarHBondContact OE2-CE 3.3Å; E134-K136 IonicContact OE2-NZ 2.65Å; E134-K136 PolarHBondContact OE2-NZ 3.38Å; K136-D140 PolarHBondContact N-OD2 2.97Å
137	T	96.6	Very high	93.6	Very high	70 Å²	70	58 Å²	58	43%	0.429	32%	0.323	S	S	.	.	S	Bend	trans	-132.9	160.9	-174.4	69.7	0	0	0	0	111.9	G139 D140 F141	T137-G139 PolarHBondContact O-N 3.45Å; T137-D140 PolarHBondContact N-OD2 2.77Å; T137-D140 VanDerWaalsContact N-OD2 3.1Å; T137-D140 WeakPolarHBondContact O-CB 3.4Å; T137-D140 PolarHBondContact O-N 3.04Å; T137-D140 VanDerWaalsContact O-N 3.09Å; T137-D140 PolarHBondContact OG1-N 3.41Å; T137-D140 PolarHBondContact OG1-OD2 3.12Å; T137-F141 PolarHBondContact O-N 3.22Å; T137-F141 VanDerWaalsContact O-N 3.09Å
138	E	96.3	Very high	93.8	Very high	121 Å²	121	61.5 Å²	61.5	57%	0.565	34%	0.339	S	S	*	.	H	α-helix	trans	-57.8	-38.2	172	-170.2	167.1	-156.9	0	0	111.9	D140 F141 E142 L188	E138-D140 VanDerWaalsContact C-N 3.31Å; E138-D140 PolarHBondContact O-N 3.22Å; E138-F141 WeakPolarHBondContact O-CB 3.45Å; E138-F141 PolarHBondContact O-N 3.04Å; E138-E142 WeakPolarHBondContact O-CG 3.32Å; E138-E142 PolarHBondContact O-N 3.45Å; E138-L188 HydrophobicContact CB-CD2 4.47Å
139	G	97.2	Very high	94.2	Very high	28 Å²	28	64.9 Å²	64.9	29%	0.289	35%	0.354	S	S	.	.	H	α-helix	trans	-64.7	-30.9	175	0	0	0	0	0	114	T137 K143	T137-G139 PolarHBondContact O-N 3.45Å; G139-K143 WeakPolarHBondContact O-CB 3.44Å; G139-K143 VanDerWaalsContact O-CD 3.3Å; G139-K143 WeakPolarHBondContact O-CD 3.32Å; G139-K143 WeakPolarHBondContact O-CG 3.38Å; G139-K143 PolarHBondContact O-N 3.35Å
140	D	96.4	Very high	94.9	Very high	60 Å²	60	64.2 Å²	64.2	32%	0.321	35%	0.345	S	S	.	.	H	α-helix	trans	-72.1	-41.8	173.7	-57.8	-39.4	0	0	0	110.8	L135 K136 T137 E138 K143 F144	L135-D140 HydrophobicContact CB-CB 4.41Å; L135-D140 HydrophobicContact CD2-CB 4.19Å; K136-D140 PolarHBondContact N-OD2 2.97Å; T137-D140 PolarHBondContact N-OD2 2.77Å; T137-D140 VanDerWaalsContact N-OD2 3.1Å; T137-D140 WeakPolarHBondContact O-CB 3.4Å; T137-D140 PolarHBondContact O-N 3.04Å; T137-D140 VanDerWaalsContact O-N 3.09Å; T137-D140 PolarHBondContact OG1-N 3.41Å; T137-D140 PolarHBondContact OG1-OD2 3.12Å; E138-D140 VanDerWaalsContact C-N 3.31Å; E138-D140 PolarHBondContact O-N 3.22Å; D140-K143 PolarHBondContact O-N 3.11Å; D140-F144 WeakPolarHBondContact O-CB 3.45Å; D140-F144 PolarHBondContact O-N 3.11Å
141	F	97.6	Very high	95.5	Very high	11 Å²	11	60 Å²	60	5%	0.048	32%	0.318	C	S	.	.	H	α-helix	trans	-59.6	-52.5	175.8	169.3	-93.1	0	0	0	111.8	L135 T137 E138 K143 F144 I145 I153 F155 L188 H192 F200	L135-F141 HydrophobicContact CD1-CB 4.31Å; L135-F141 HydrophobicContact CD1-CD2 4.19Å; T137-F141 PolarHBondContact O-N 3.22Å; T137-F141 VanDerWaalsContact O-N 3.09Å; E138-F141 WeakPolarHBondContact O-CB 3.45Å; E138-F141 PolarHBondContact O-N 3.04Å; F141-K143 VanDerWaalsContact C-N 3.31Å; F141-K143 PolarHBondContact O-N 3.42Å; F141-F144 WeakPolarHBondContact O-CB 3.28Å; F141-F144 PolarHBondContact O-N 3.27Å; F141-I145 HydrophobicContact CD1-CD1 4.37Å; F141-I145 HydrophobicContact CD2-CG2 4.43Å; F141-I145 HydrophobicContact CE1-CD1 3.6Å; F141-I145 HydrophobicContact CE1-CG1 4.28Å; F141-I145 HydrophobicContact CE2-CG2 3.97Å; F141-I145 HydrophobicContact CZ-CD1 3.82Å; F141-I145 HydrophobicContact CZ-CG1 4.49Å; F141-I145 HydrophobicContact CZ-CG2 4.03Å; F141-I145 WeakPolarHBondContact O-CG1 3.46Å; F141-I145 PolarHBondContact O-N 3.04Å; F141-I153 HydrophobicContact CD2-CD1 3.69Å; F141-I153 HydrophobicContact CE2-CD1 3.49Å; F141-I153 VanDerWaalsContact CE2-CD1 3.49Å; F141-F155 HydrophobicContact CD2-CZ 4.5Å; F141-F155 AromaticContact CE2-CZ 3.97Å; F141-F155 HydrophobicContact CE2-CZ 3.97Å; F141-L188 HydrophobicContact CB-CD1 4.16Å; F141-L188 HydrophobicContact CB-CD2 3.81Å; F141-L188 HydrophobicContact CD1-CD2 4.43Å; F141-L188 HydrophobicContact CD2-CD2 4.47Å; F141-L188 HydrophobicContact CG-CD2 3.99Å; F141-H192 AromaticContact CE1-CE1 3.66Å; F141-H192 AromaticContact CE1-NE2 3.42Å; F141-H192 WeakPolarHBondContact CE1-NE2 3.3Å; F141-H192 AromaticContact CE2-NE2 3.74Å; F141-H192 AromaticContact CZ-CD2 3.91Å; F141-H192 AromaticContact CZ-CE1 3.58Å; F141-H192 AromaticContact CZ-NE2 3.05Å; F141-H192 WeakPolarHBondContact CZ-NE2 3.49Å; F141-F200 HydrophobicContact CE2-CE1 4.47Å; F141-F200 HydrophobicContact CE2-CE2 4.03Å; F141-F200 AromaticContact CE2-CZ 3.81Å; F141-F200 HydrophobicContact CE2-CZ 3.81Å; F141-F200 AromaticContact CZ-CE1 3.91Å; F141-F200 HydrophobicContact CZ-CE1 3.91Å; F141-F200 HydrophobicContact CZ-CE2 4.28Å; F141-F200 AromaticContact CZ-CZ 3.65Å; F141-F200 HydrophobicContact CZ-CZ 3.65Å
142	E	97.3	Very high	95.9	Very high	113 Å²	113	59.1 Å²	59.1	53%	0.528	31%	0.311	S	S	.	.	H	α-helix	trans	-57.6	-44.6	179.4	-73.4	-179.6	163.5	0	0	111.6	E138 F144 I145 A146	E138-E142 WeakPolarHBondContact O-CG 3.32Å; E138-E142 PolarHBondContact O-N 3.45Å; E142-F144 VanDerWaalsContact C-N 3.31Å; E142-F144 PolarHBondContact O-N 2.89Å; E142-I145 WeakPolarHBondContact O-CG1 3.34Å; E142-I145 PolarHBondContact O-N 3.28Å; E142-A146 VanDerWaalsContact O-CB 3.29Å; E142-A146 WeakPolarHBondContact O-CB 3.33Å; E142-A146 PolarHBondContact O-N 2.83Å; E142-A146 VanDerWaalsContact O-N 3.08Å
143	K	96.6	Very high	96	Very high	156 Å²	156	59 Å²	59	68%	0.678	31%	0.31	S	S	*	.	H	α-helix	trans	-62.4	-38.8	175.7	-73.2	170.1	-168.6	167	0	112	G139 D140 F141	G139-K143 WeakPolarHBondContact O-CB 3.44Å; G139-K143 VanDerWaalsContact O-CD 3.3Å; G139-K143 WeakPolarHBondContact O-CD 3.32Å; G139-K143 WeakPolarHBondContact O-CG 3.38Å; G139-K143 PolarHBondContact O-N 3.35Å; D140-K143 PolarHBondContact O-N 3.11Å; F141-K143 VanDerWaalsContact C-N 3.31Å; F141-K143 PolarHBondContact O-N 3.42Å
144	F	96	Very high	96.1	Very high	22 Å²	22	56 Å²	56	10%	0.096	29%	0.292	C	S	.	.	H	α-helix	trans	-69.3	-39.3	-178	-169.7	-92.4	0	0	0	112.5	V133 L135 D140 F141 E142 S151 I153 R179 F180 A181	V133-F144 HydrophobicContact CB-CE2 4.35Å; V133-F144 HydrophobicContact CG2-CE2 4.36Å; L135-F144 HydrophobicContact CD1-CB 4.47Å; L135-F144 HydrophobicContact CD2-CB 4Å; L135-F144 HydrophobicContact CD2-CD2 4.3Å; L135-F144 HydrophobicContact CD2-CG 4.19Å; D140-F144 WeakPolarHBondContact O-CB 3.45Å; D140-F144 PolarHBondContact O-N 3.11Å; F141-F144 WeakPolarHBondContact O-CB 3.28Å; F141-F144 PolarHBondContact O-N 3.27Å; E142-F144 VanDerWaalsContact C-N 3.31Å; E142-F144 PolarHBondContact O-N 2.89Å; F144-S151 PolarHBondContact O-OG 2.94Å; F144-S151 VanDerWaalsContact O-OG 3.08Å; F144-I153 HydrophobicContact CD1-CD1 3.94Å; F144-I153 HydrophobicContact CD1-CG1 4.2Å; F144-I153 HydrophobicContact CE1-CD1 4.47Å; F144-I153 HydrophobicContact CE1-CG1 4.24Å; F144-R179 HydrophobicContact CZ-CB 3.97Å; F144-R179 PolarHBondContact O-NH1 2.88Å; F144-R179 PolarHBondContact O-NH2 3.18Å; F144-F180 WeakPolarHBondContact CZ-O 3.5Å; F144-A181 HydrophobicContact CD1-CB 3.81Å; F144-A181 HydrophobicContact CD2-CB 4.12Å; F144-A181 HydrophobicContact CE1-CB 3.49Å; F144-A181 VanDerWaalsContact CE1-CB 3.49Å; F144-A181 HydrophobicContact CE2-CB 3.85Å; F144-A181 HydrophobicContact CG-CB 4.11Å; F144-A181 HydrophobicContact CZ-CB 3.52Å
145	I	96.6	Very high	96.2	Very high	38 Å²	38	51.3 Å²	51.3	20%	0.195	27%	0.27	C	S	.	.	H	α-helix	trans	-83.6	-13.7	179.4	66.2	163.2	0	0	0	114.1	F141 E142 D147 I153 F200 P203	F141-I145 HydrophobicContact CD1-CD1 4.37Å; F141-I145 HydrophobicContact CD2-CG2 4.43Å; F141-I145 HydrophobicContact CE1-CD1 3.6Å; F141-I145 HydrophobicContact CE1-CG1 4.28Å; F141-I145 HydrophobicContact CE2-CG2 3.97Å; F141-I145 HydrophobicContact CZ-CD1 3.82Å; F141-I145 HydrophobicContact CZ-CG1 4.49Å; F141-I145 HydrophobicContact CZ-CG2 4.03Å; F141-I145 WeakPolarHBondContact O-CG1 3.46Å; F141-I145 PolarHBondContact O-N 3.04Å; E142-I145 WeakPolarHBondContact O-CG1 3.34Å; E142-I145 PolarHBondContact O-N 3.28Å; I145-D147 PolarHBondContact O-N 3.37Å; I145-I153 HydrophobicContact CG2-CD1 3.47Å; I145-I153 VanDerWaalsContact CG2-CD1 3.47Å; I145-F200 HydrophobicContact CG2-CB 4.23Å; I145-F200 HydrophobicContact CG2-CD1 4.32Å; I145-F200 HydrophobicContact CG2-CD2 4.05Å; I145-F200 HydrophobicContact CG2-CG 3.95Å; I145-P203 WeakPolarHBondContact O-CD 3.39Å; I145-P203 WeakPolarHBondContact O-CG 3.29Å
146	A	95.9	Very high	96.2	Very high	73 Å²	73	51.1 Å²	51.1	60%	0.603	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	2.6	176	0	0	0	0	0	114.1	E142	E142-A146 VanDerWaalsContact O-CB 3.29Å; E142-A146 WeakPolarHBondContact O-CB 3.33Å; E142-A146 PolarHBondContact O-N 2.83Å; E142-A146 VanDerWaalsContact O-N 3.08Å
147	D	92.9	Very high	96.1	Very high	55 Å²	55	48 Å²	48	29%	0.294	27%	0.268	S	S	.	.	S	Bend	trans	-66.9	161.9	-178	-156.5	-76.5	0	0	0	112.8	I145 D149 R179	I145-D147 PolarHBondContact O-N 3.37Å; D147-D149 PolarHBondContact OD1-N 3.4Å; D147-R179 VanDerWaalsContact CG-NE 3.34Å; D147-R179 VanDerWaalsContact CG-NH2 3.31Å; D147-R179 IonicContact OD1-CZ 3.64Å; D147-R179 IonicContact OD1-NE 2.91Å; D147-R179 IonicContact OD2-CZ 3.45Å; D147-R179 IonicContact OD2-NE 2.64Å; D147-R179 PolarHBondContact OD2-NE 3.46Å; D147-R179 IonicContact OD2-NH1 3.15Å; D147-R179 IonicContact OD2-NH2 3.86Å; D147-R179 PolarHBondContact OD2-NH2 2.95Å
148	Q	89.9	Confident	96	Very high	81 Å²	81	48.8 Å²	48.8	38%	0.379	27%	0.269	S	S	.	.	S	Bend	trans	-75.8	-18.8	177.1	-67.4	-172.1	-21	0	0	112.4	P202 R204	Q148-P202 VanDerWaalsContact O-CB 3.28Å; Q148-P202 WeakPolarHBondContact O-CB 3.32Å; Q148-P202 VanDerWaalsContact O-CG 3.29Å; Q148-P202 WeakPolarHBondContact O-CG 3.47Å; Q148-R204 PolarHBondContact O-NE 2.91Å; Q148-R204 PolarHBondContact O-NH2 2.81Å
149	D	91	Very high	95.8	Very high	95 Å²	95	48 Å²	48	51%	0.508	27%	0.269	S	S	.	.	S	Bend	trans	-102.5	165.3	175.8	-66.5	-24.8	0	0	0	112.5	D147	D147-D149 PolarHBondContact OD1-N 3.4Å
150	A	95.9	Very high	95.5	Very high	13 Å²	13	54.5 Å²	54.5	11%	0.107	29%	0.289	C	S	.	.			trans	-69.7	150.5	176.6	0	0	0	0	0	111.5	F200 V234	A150-F200 CarbonylContact C-O 3.59Å; A150-F200 VanDerWaalsContact CA-O 3.28Å; A150-F200 WeakPolarHBondContact CA-O 3.13Å; A150-F200 WeakPolarHBondContact CB-O 3.34Å; A150-V234 HydrophobicContact CB-CG2 3.47Å; A150-V234 VanDerWaalsContact CB-CG2 3.47Å
151	S	97.7	Very high	95.5	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.007	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.4	-178.6	-69.6	0	0	0	0	110.3	F144 R179 L199 F200	F144-S151 PolarHBondContact O-OG 2.94Å; F144-S151 VanDerWaalsContact O-OG 3.08Å; S151-R179 PolarHBondContact OG-NH1 3.43Å; S151-L199 CarbonylContact O-C 3.49Å; S151-F200 PolarHBondContact N-O 3Å; S151-F200 PolarHBondContact O-N 2.76Å
152	V	98.3	Very high	95.4	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	116.2	174.6	-173.2	0	0	0	0	108.5	F167 R179 F180 A181 V197 L199 I230	V152-F167 HydrophobicContact CG1-CE2 3.93Å; V152-F167 HydrophobicContact CG1-CZ 4.45Å; V152-R179 PolarHBondContact N-O 2.85Å; V152-F180 HydrophobicContact CB-CD1 3.85Å; V152-F180 HydrophobicContact CB-CE1 3.96Å; V152-F180 HydrophobicContact CB-CG 4.5Å; V152-F180 HydrophobicContact CG1-CD1 3.97Å; V152-F180 HydrophobicContact CG1-CE1 3.87Å; V152-F180 HydrophobicContact CG2-CE1 4.41Å; V152-F180 CarbonylContact O-C 3.43Å; V152-F180 WeakPolarHBondContact O-CA 3.41Å; V152-A181 PolarHBondContact O-N 2.92Å; V152-V197 HydrophobicContact CG1-CG1 3.76Å; V152-L199 HydrophobicContact CG2-CD1 4.34Å; V152-L199 HydrophobicContact CG2-CG 4.44Å; V152-I230 HydrophobicContact CG1-CD1 3.97Å; V152-I230 HydrophobicContact CG1-CG1 4.11Å; V152-I230 HydrophobicContact CG2-CD1 4.09Å; V152-I230 HydrophobicContact CG2-CG1 3.97Å; V152-I230 HydrophobicContact CG2-CG2 4.21Å
153	I	98.5	Very high	95.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.1	-173	-52.5	-176.5	0	0	0	110.4	L135 F141 F144 I145 F155 A181 V197 V198 F200	L135-I153 HydrophobicContact CD1-CD1 4.1Å; L135-I153 HydrophobicContact CD1-CG2 4.11Å; F141-I153 HydrophobicContact CD2-CD1 3.69Å; F141-I153 HydrophobicContact CE2-CD1 3.49Å; F141-I153 VanDerWaalsContact CE2-CD1 3.49Å; F144-I153 HydrophobicContact CD1-CD1 3.94Å; F144-I153 HydrophobicContact CD1-CG1 4.2Å; F144-I153 HydrophobicContact CE1-CD1 4.47Å; F144-I153 HydrophobicContact CE1-CG1 4.24Å; I145-I153 HydrophobicContact CG2-CD1 3.47Å; I145-I153 VanDerWaalsContact CG2-CD1 3.47Å; I153-F155 HydrophobicContact CB-CE2 3.87Å; I153-F155 HydrophobicContact CB-CZ 4.25Å; I153-F155 HydrophobicContact CG2-CD2 4.17Å; I153-F155 HydrophobicContact CG2-CE1 4.32Å; I153-F155 HydrophobicContact CG2-CE2 3.59Å; I153-F155 HydrophobicContact CG2-CZ 3.69Å; I153-A181 CarbonylContact C-O 3.6Å; I153-A181 VanDerWaalsContact CA-O 3.28Å; I153-A181 WeakPolarHBondContact CA-O 3.34Å; I153-A181 HydrophobicContact CG1-CB 4.3Å; I153-V197 CarbonylContact O-C 3.57Å; I153-V197 WeakPolarHBondContact O-CA 3.35Å; I153-V198 PolarHBondContact N-O 3.37Å; I153-V198 PolarHBondContact O-N 2.78Å; I153-F200 HydrophobicContact CB-CE2 4.13Å; I153-F200 HydrophobicContact CD1-CD2 3.9Å; I153-F200 HydrophobicContact CD1-CE2 3.8Å; I153-F200 HydrophobicContact CG1-CD2 4.09Å; I153-F200 HydrophobicContact CG1-CE2 4.09Å
154	G	98.2	Very high	95.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	133.8	169.7	0	0	0	0	0	112	F156 A181 H182 T183	G154-F156 VanDerWaalsContact CA-CE2 3.48Å; G154-A181 PolarHBondContact N-O 2.91Å; G154-H182 CarbonylContact O-C 3.55Å; G154-H182 WeakPolarHBondContact O-CA 3.5Å; G154-T183 PolarHBondContact O-N 3.42Å
155	F	98	Very high	95.3	Very high	1 Å²	1	48.7 Å²	48.7	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	112.1	176.3	-62.5	-96.7	0	0	0	107.2	F141 I153 T183 L188 L189 H192 E195 G196 V198 F200	F141-F155 HydrophobicContact CD2-CZ 4.5Å; F141-F155 AromaticContact CE2-CZ 3.97Å; F141-F155 HydrophobicContact CE2-CZ 3.97Å; I153-F155 HydrophobicContact CB-CE2 3.87Å; I153-F155 HydrophobicContact CB-CZ 4.25Å; I153-F155 HydrophobicContact CG2-CD2 4.17Å; I153-F155 HydrophobicContact CG2-CE1 4.32Å; I153-F155 HydrophobicContact CG2-CE2 3.59Å; I153-F155 HydrophobicContact CG2-CZ 3.69Å; F155-T183 HydrophobicContact CD1-CG2 3.39Å; F155-T183 HydrophobicContact CE1-CG2 3.79Å; F155-T183 HydrophobicContact CG-CG2 4.15Å; F155-L188 HydrophobicContact CE1-CB 4.41Å; F155-L189 HydrophobicContact CB-CG 4.35Å; F155-H192 HydrophobicContact CD1-CB 4.05Å; F155-H192 HydrophobicContact CE1-CB 3.6Å; F155-H192 AromaticContact CE1-CG 3.57Å; F155-H192 AromaticContact CE1-ND1 3.73Å; F155-H192 HydrophobicContact CE2-CB 4.33Å; F155-H192 HydrophobicContact CZ-CB 3.76Å; F155-H192 AromaticContact CZ-CD2 3.95Å; F155-H192 AromaticContact CZ-CG 3.62Å; F155-E195 CarbonylContact O-C 3.26Å; F155-E195 WeakPolarHBondContact O-CA 3.48Å; F155-G196 PolarHBondContact N-O 3.28Å; F155-G196 PolarHBondContact O-N 2.82Å; F155-V198 HydrophobicContact CD2-CG2 4.08Å; F155-V198 HydrophobicContact CE2-CB 4.01Å; F155-V198 HydrophobicContact CE2-CG2 3.79Å; F155-F200 HydrophobicContact CE2-CE2 4.42Å; F155-F200 HydrophobicContact CZ-CE2 4.5Å
156	F	97.1	Very high	95.3	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.013	28%	0.277	C	S	.	.			trans	-138.6	128.7	-173.8	-54.5	-69	0	0	0	109.5	G154 E163 Q164 F167 H182 T183 N184 V197 F221	G154-F156 VanDerWaalsContact CA-CE2 3.48Å; F156-E163 HydrophobicContact CD1-CB 4.06Å; F156-E163 HydrophobicContact CE1-CB 3.86Å; F156-Q164 HydrophobicContact CB-CB 4.1Å; F156-Q164 HydrophobicContact CD1-CB 4.19Å; F156-Q164 HydrophobicContact CD2-CB 3.62Å; F156-Q164 HydrophobicContact CD2-CG 3.66Å; F156-Q164 HydrophobicContact CE2-CB 4.04Å; F156-Q164 HydrophobicContact CE2-CG 4.1Å; F156-Q164 HydrophobicContact CG-CB 3.7Å; F156-Q164 HydrophobicContact CG-CG 4.2Å; F156-F167 HydrophobicContact CE2-CB 3.82Å; F156-F167 AromaticContact CE2-CD1 3.79Å; F156-F167 HydrophobicContact CE2-CD1 3.79Å; F156-F167 AromaticContact CE2-CG 3.79Å; F156-F167 HydrophobicContact CE2-CG 3.79Å; F156-F167 HydrophobicContact CZ-CB 3.6Å; F156-F167 HydrophobicContact CZ-CD1 4.34Å; F156-F167 HydrophobicContact CZ-CD2 4.35Å; F156-F167 AromaticContact CZ-CG 3.85Å; F156-F167 HydrophobicContact CZ-CG 3.85Å; F156-H182 HydrophobicContact CD2-CB 4.49Å; F156-T183 PolarHBondContact N-O 3.26Å; F156-N184 WeakPolarHBondContact O-CA 3.27Å; F156-N184 VanDerWaalsContact O-CB 3.32Å; F156-N184 WeakPolarHBondContact O-CB 3.16Å; F156-N184 PolarHBondContact O-ND2 3.2Å; F156-N184 PolarHBondContact O-OD1 3.06Å; F156-V197 HydrophobicContact CZ-CG2 4.12Å; F156-F221 HydrophobicContact CE1-CD1 4.23Å; F156-F221 HydrophobicContact CE1-CE1 4.13Å
157	A	95.3	Very high	95.4	Very high	67 Å²	67	45.3 Å²	45.3	55%	0.554	25%	0.248	S	C	*	.	S	Bend	trans	-75.3	-42	-179.1	0	0	0	0	0	110.8	L189 E195	A157-L189 HydrophobicContact CB-CD2 3.87Å; A157-E195 HydrophobicContact CB-CG 4.42Å; A157-E195 WeakPolarHBondContact CB-OE1 3.3Å; A157-E195 PolarHBondContact N-OE1 3.04Å
158	D	94.1	Very high	95.6	Very high	86 Å²	86	45.5 Å²	45.5	46%	0.46	25%	0.249	S	C	.	.	S	Bend	trans	-96.8	121.3	178.7	179.2	9.8	0	0	0	111.3	K160 S161 Q164	D158-K160 PolarHBondContact O-N 3.15Å; D158-K160 VanDerWaalsContact O-N 3.15Å; D158-K160 PolarHBondContact OD1-N 2.64Å; D158-S161 WeakPolarHBondContact O-CB 3.44Å; D158-S161 PolarHBondContact O-N 3.46Å; D158-S161 VanDerWaalsContact O-N 3.13Å; D158-S161 PolarHBondContact O-OG 2.91Å; D158-Q164 PolarHBondContact O-OE1 2.89Å; D158-Q164 VanDerWaalsContact O-OE1 3.13Å
159	D	90.9	Very high	95.8	Very high	103 Å²	103	46.8 Å²	46.8	55%	0.551	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-9.9	180	72.4	-9.1	0	0	0	114.3	Q164 N184	D159-Q164 VanDerWaalsContact CA-OE1 3.29Å; D159-N184 WeakPolarHBondContact CA-ND2 3.28Å; D159-N184 VanDerWaalsContact CB-ND2 3.29Å; D159-N184 WeakPolarHBondContact CB-ND2 3.32Å; D159-N184 PolarHBondContact N-ND2 3.11Å; D159-N184 VanDerWaalsContact N-ND2 3.13Å
160	K	92.4	Very high	96.1	Very high	165 Å²	165	42.2 Å²	42.2	72%	0.717	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.8	12.6	178.3	-68.3	162.7	-163.5	175	0	112.9	D158	D158-K160 PolarHBondContact O-N 3.15Å; D158-K160 VanDerWaalsContact O-N 3.15Å; D158-K160 PolarHBondContact OD1-N 2.64Å
161	S	95.4	Very high	96	Very high	11 Å²	11	41.6 Å²	41.6	8%	0.077	22%	0.224	C	C	.	.			trans	-59.4	149.7	176.5	60.5	0	0	0	0	112	D158 E163 Q164 T165	D158-S161 WeakPolarHBondContact O-CB 3.44Å; D158-S161 PolarHBondContact O-N 3.46Å; D158-S161 VanDerWaalsContact O-N 3.13Å; D158-S161 PolarHBondContact O-OG 2.91Å; S161-E163 PolarHBondContact O-N 3.41Å; S161-Q164 PolarHBondContact O-N 3.27Å; S161-Q164 WeakPolarHBondContact OG-CB 3.49Å; S161-Q164 PolarHBondContact OG-N 3.44Å; S161-T165 PolarHBondContact O-N 2.76Å; S161-T165 VanDerWaalsContact O-N 3.08Å; S161-T165 PolarHBondContact O-OG1 2.75Å
162	S	95.1	Very high	95.6	Very high	79 Å²	79	44.9 Å²	44.9	55%	0.552	25%	0.247	S	C	*	.	H	α-helix	trans	-65.1	-31	176.2	69.2	0	0	0	0	111.7	T165 E166	S162-T165 WeakPolarHBondContact O-CB 3.41Å; S162-T165 PolarHBondContact O-N 3.01Å; S162-E166 PolarHBondContact O-N 2.88Å
163	E	95.7	Very high	95.2	Very high	76 Å²	76	47.4 Å²	47.4	36%	0.355	27%	0.268	S	S	.	.	H	α-helix	trans	-66.5	-49.4	178.4	-67.5	70.1	-166.8	0	0	110.9	F156 S161 T165 E166 F167 F221	F156-E163 HydrophobicContact CD1-CB 4.06Å; F156-E163 HydrophobicContact CE1-CB 3.86Å; S161-E163 PolarHBondContact O-N 3.41Å; E163-T165 VanDerWaalsContact C-N 3.31Å; E163-T165 PolarHBondContact O-N 3Å; E163-E166 PolarHBondContact O-N 3.42Å; E163-F167 WeakPolarHBondContact O-CB 3.47Å; E163-F167 PolarHBondContact O-N 2.92Å; E163-F221 HydrophobicContact CB-CB 4.09Å; E163-F221 HydrophobicContact CB-CD1 4.07Å; E163-F221 HydrophobicContact CB-CG 4.04Å; E163-F221 HydrophobicContact CG-CB 3.95Å; E163-F221 HydrophobicContact CG-CD1 4.32Å; E163-F221 HydrophobicContact CG-CD2 4.07Å; E163-F221 HydrophobicContact CG-CG 3.86Å
164	Q	96.4	Very high	94.8	Very high	10 Å²	10	48 Å²	48	5%	0.047	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-39.8	173.7	-175.9	166.2	-9.4	0	0	111.1	F156 D158 D159 S161 E166 F167 L168 H182 N184	F156-Q164 HydrophobicContact CB-CB 4.1Å; F156-Q164 HydrophobicContact CD1-CB 4.19Å; F156-Q164 HydrophobicContact CD2-CB 3.62Å; F156-Q164 HydrophobicContact CD2-CG 3.66Å; F156-Q164 HydrophobicContact CE2-CB 4.04Å; F156-Q164 HydrophobicContact CE2-CG 4.1Å; F156-Q164 HydrophobicContact CG-CB 3.7Å; F156-Q164 HydrophobicContact CG-CG 4.2Å; D158-Q164 PolarHBondContact O-OE1 2.89Å; D158-Q164 VanDerWaalsContact O-OE1 3.13Å; D159-Q164 VanDerWaalsContact CA-OE1 3.29Å; S161-Q164 PolarHBondContact O-N 3.27Å; S161-Q164 WeakPolarHBondContact OG-CB 3.49Å; S161-Q164 PolarHBondContact OG-N 3.44Å; Q164-E166 PolarHBondContact O-N 3.3Å; Q164-F167 WeakPolarHBondContact O-CB 3.47Å; Q164-F167 PolarHBondContact O-N 3.31Å; Q164-L168 HydrophobicContact CG-CD1 4.19Å; Q164-L168 HydrophobicContact CG-CG 4.31Å; Q164-L168 VanDerWaalsContact O-CG 3.3Å; Q164-L168 WeakPolarHBondContact O-CG 3.36Å; Q164-L168 PolarHBondContact O-N 3.13Å; Q164-H182 PolarHBondContact NE2-CD2 3.17Å; Q164-N184 PolarHBondContact OE1-ND2 2.88Å; Q164-N184 VanDerWaalsContact OE1-ND2 3.13Å
165	T	96.3	Very high	94.3	Very high	64 Å²	64	49.5 Å²	49.5	39%	0.393	28%	0.276	S	S	.	.	H	α-helix	trans	-59.6	-45.7	176.5	-60.7	0	0	0	0	111.8	S161 S162 E163 L168 K169	S161-T165 PolarHBondContact O-N 2.76Å; S161-T165 VanDerWaalsContact O-N 3.08Å; S161-T165 PolarHBondContact O-OG1 2.75Å; S162-T165 WeakPolarHBondContact O-CB 3.41Å; S162-T165 PolarHBondContact O-N 3.01Å; E163-T165 VanDerWaalsContact C-N 3.31Å; E163-T165 PolarHBondContact O-N 3Å; T165-L168 PolarHBondContact O-N 3.17Å; T165-K169 WeakPolarHBondContact O-CG 3.06Å; T165-K169 PolarHBondContact O-N 3.19Å
166	E	97.4	Very high	93.6	Very high	40 Å²	40	54 Å²	54	19%	0.187	30%	0.301	C	S	.	.	H	α-helix	trans	-67.9	-34	176.4	-74.1	-61.8	129.6	0	0	112.8	S162 E163 Q164 K169 A170 F221 S223	S162-E166 PolarHBondContact O-N 2.88Å; E163-E166 PolarHBondContact O-N 3.42Å; Q164-E166 PolarHBondContact O-N 3.3Å; E166-K169 PolarHBondContact O-N 3.06Å; E166-K169 WeakPolarHBondContact OE1-CD 3.42Å; E166-K169 IonicContact OE1-NZ 3.63Å; E166-K169 PolarHBondContact OE1-NZ 2.91Å; E166-A170 PolarHBondContact O-N 3.02Å; E166-F221 WeakPolarHBondContact CG-O 3.49Å; E166-S223 WeakPolarHBondContact O-CB 3.29Å; E166-S223 WeakPolarHBondContact OE2-CB 3.25Å; E166-S223 PolarHBondContact OE2-N 3.18Å; E166-S223 PolarHBondContact OE2-OG 2.77Å
167	F	97.9	Very high	93	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-63.9	-46	172.1	177.3	-99.6	0	0	0	112.2	S132 V152 F156 E163 Q164 K169 A170 A171 F180 A181 H182 V197 I226	S132-F167 WeakPolarHBondContact OG-CE1 3.43Å; V152-F167 HydrophobicContact CG1-CE2 3.93Å; V152-F167 HydrophobicContact CG1-CZ 4.45Å; F156-F167 HydrophobicContact CE2-CB 3.82Å; F156-F167 AromaticContact CE2-CD1 3.79Å; F156-F167 HydrophobicContact CE2-CD1 3.79Å; F156-F167 AromaticContact CE2-CG 3.79Å; F156-F167 HydrophobicContact CE2-CG 3.79Å; F156-F167 HydrophobicContact CZ-CB 3.6Å; F156-F167 HydrophobicContact CZ-CD1 4.34Å; F156-F167 HydrophobicContact CZ-CD2 4.35Å; F156-F167 AromaticContact CZ-CG 3.85Å; F156-F167 HydrophobicContact CZ-CG 3.85Å; E163-F167 WeakPolarHBondContact O-CB 3.47Å; E163-F167 PolarHBondContact O-N 2.92Å; Q164-F167 WeakPolarHBondContact O-CB 3.47Å; Q164-F167 PolarHBondContact O-N 3.31Å; F167-K169 VanDerWaalsContact C-N 3.31Å; F167-K169 PolarHBondContact O-N 3.29Å; F167-A170 WeakPolarHBondContact O-CB 3.42Å; F167-A170 PolarHBondContact O-N 3.44Å; F167-A170 VanDerWaalsContact O-N 3.11Å; F167-A171 WeakPolarHBondContact O-CB 3.29Å; F167-A171 PolarHBondContact O-N 2.88Å; F167-F180 HydrophobicContact CE1-CD1 4.47Å; F167-F180 AromaticContact CE2-CD1 3.95Å; F167-F180 HydrophobicContact CE2-CD1 3.95Å; F167-F180 HydrophobicContact CE2-CE1 4.38Å; F167-F180 HydrophobicContact CZ-CB 4.48Å; F167-F180 AromaticContact CZ-CD1 3.74Å; F167-F180 HydrophobicContact CZ-CD1 3.74Å; F167-A181 VanDerWaalsContact CE1-O 3.28Å; F167-A181 WeakPolarHBondContact CE1-O 3.47Å; F167-A181 WeakPolarHBondContact CZ-O 3.47Å; F167-H182 HydrophobicContact CD1-CB 4.4Å; F167-H182 HydrophobicContact CE1-CB 3.97Å; F167-V197 HydrophobicContact CD2-CG1 4.25Å; F167-V197 HydrophobicContact CD2-CG2 3.53Å; F167-V197 HydrophobicContact CE2-CG1 3.91Å; F167-V197 HydrophobicContact CE2-CG2 3.95Å; F167-V197 HydrophobicContact CG-CG2 4.42Å; F167-I226 HydrophobicContact CB-CD1 4.2Å; F167-I226 HydrophobicContact CD2-CD1 4.43Å; F167-I226 HydrophobicContact CD2-CG2 4.44Å
168	L	96.1	Very high	92.8	Very high	59 Å²	59	56 Å²	56	31%	0.309	30%	0.301	S	S	.	.	H	α-helix	trans	-63.5	-36.4	176.9	-68	176.4	0	0	0	111.7	Q164 T165 A171 S172	Q164-L168 HydrophobicContact CG-CD1 4.19Å; Q164-L168 HydrophobicContact CG-CG 4.31Å; Q164-L168 VanDerWaalsContact O-CG 3.3Å; Q164-L168 WeakPolarHBondContact O-CG 3.36Å; Q164-L168 PolarHBondContact O-N 3.13Å; T165-L168 PolarHBondContact O-N 3.17Å; L168-A171 PolarHBondContact O-N 3.02Å; L168-S172 PolarHBondContact O-N 2.99Å; L168-S172 PolarHBondContact O-OG 3.33Å; L168-S172 VanDerWaalsContact O-OG 3.11Å
169	K	94.9	Very high	92.8	Very high	108 Å²	108	54 Å²	54	47%	0.47	29%	0.287	S	S	.	.	H	α-helix	trans	-61.8	-42.5	170.9	-73.2	176	-171.4	170.5	0	112.3	T165 E166 F167 A173	T165-K169 WeakPolarHBondContact O-CG 3.06Å; T165-K169 PolarHBondContact O-N 3.19Å; E166-K169 PolarHBondContact O-N 3.06Å; E166-K169 WeakPolarHBondContact OE1-CD 3.42Å; E166-K169 IonicContact OE1-NZ 3.63Å; E166-K169 PolarHBondContact OE1-NZ 2.91Å; F167-K169 VanDerWaalsContact C-N 3.31Å; F167-K169 PolarHBondContact O-N 3.29Å; K169-A173 WeakPolarHBondContact O-CB 3.43Å; K169-A173 PolarHBondContact O-N 2.92Å
170	A	95.6	Very high	93.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.6	-46.1	175	0	0	0	0	0	111	E166 F167 S172 A173 L174 I226 K227	E166-A170 PolarHBondContact O-N 3.02Å; F167-A170 WeakPolarHBondContact O-CB 3.42Å; F167-A170 PolarHBondContact O-N 3.44Å; F167-A170 VanDerWaalsContact O-N 3.11Å; A170-S172 PolarHBondContact O-N 2.93Å; A170-A173 PolarHBondContact O-N 2.81Å; A170-L174 WeakPolarHBondContact O-CB 3.43Å; A170-L174 PolarHBondContact O-N 3.16Å; A170-I226 HydrophobicContact CB-CB 4.02Å; A170-I226 HydrophobicContact CB-CG2 3.72Å; A170-K227 HydrophobicContact CB-CG 4.37Å
171	A	95.4	Very high	93.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.9	-49	177.5	0	0	0	0	0	111.4	A131 F167 L168 A173 L174 R175 F180	A131-A171 HydrophobicContact CB-CB 4.19Å; F167-A171 WeakPolarHBondContact O-CB 3.29Å; F167-A171 PolarHBondContact O-N 2.88Å; L168-A171 PolarHBondContact O-N 3.02Å; A171-A173 VanDerWaalsContact C-N 3.27Å; A171-A173 PolarHBondContact O-N 2.96Å; A171-L174 CarbonylContact O-C 3.49Å; A171-L174 PolarHBondContact O-N 3.16Å; A171-L174 VanDerWaalsContact O-N 3.17Å; A171-R175 WeakPolarHBondContact O-CA 3.43Å; A171-R175 VanDerWaalsContact O-CB 3.3Å; A171-R175 WeakPolarHBondContact O-CB 3.45Å; A171-R175 PolarHBondContact O-N 2.88Å; A171-F180 HydrophobicContact CB-CB 3.77Å; A171-F180 HydrophobicContact CB-CD1 3.65Å; A171-F180 HydrophobicContact CB-CD2 3.97Å; A171-F180 HydrophobicContact CB-CE1 4.18Å; A171-F180 HydrophobicContact CB-CE2 4.47Å; A171-F180 HydrophobicContact CB-CG 3.53Å
172	S	89.2	Confident	93.5	Very high	70 Å²	70	42 Å²	42	49%	0.49	23%	0.229	S	C	.	.	H	α-helix	trans	-59.3	-37.8	178.1	-65.3	0	0	0	0	112.9	A131 L168 A170	A131-S172 VanDerWaalsContact CB-OG 3.29Å; A131-S172 WeakPolarHBondContact CB-OG 3.43Å; L168-S172 PolarHBondContact O-N 2.99Å; L168-S172 PolarHBondContact O-OG 3.33Å; L168-S172 VanDerWaalsContact O-OG 3.11Å; A170-S172 PolarHBondContact O-N 2.93Å
173	A	89.4	Confident	93.6	Very high	54 Å²	54	38.3 Å²	38.3	45%	0.446	20%	0.203	S	C	.	.	H	α-helix	trans	-81.1	-14.6	-178.6	0	0	0	0	0	114.3	K169 A170 A171 K227	K169-A173 WeakPolarHBondContact O-CB 3.43Å; K169-A173 PolarHBondContact O-N 2.92Å; A170-A173 PolarHBondContact O-N 2.81Å; A171-A173 VanDerWaalsContact C-N 3.27Å; A171-A173 PolarHBondContact O-N 2.96Å; A173-K227 VanDerWaalsContact CB-NZ 3.25Å
174	L	90.4	Very high	93.7	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.063	20%	0.196	C	C	.	.	H	α-helix	trans	-124.9	4.3	-173.4	-77.6	-167.9	0	0	0	113.2	A170 A171 D176 D177 Y178 F180 K227 I230	A170-L174 WeakPolarHBondContact O-CB 3.43Å; A170-L174 PolarHBondContact O-N 3.16Å; A171-L174 CarbonylContact O-C 3.49Å; A171-L174 PolarHBondContact O-N 3.16Å; A171-L174 VanDerWaalsContact O-N 3.17Å; L174-D176 PolarHBondContact O-N 3.09Å; L174-D176 VanDerWaalsContact O-N 3.11Å; L174-D177 PolarHBondContact O-N 3.42Å; L174-D177 VanDerWaalsContact O-N 3.16Å; L174-Y178 HydrophobicContact CB-CD2 3.95Å; L174-Y178 HydrophobicContact CD1-CD2 4.04Å; L174-Y178 HydrophobicContact CD1-CE2 4.13Å; L174-Y178 HydrophobicContact CD2-CD2 4.37Å; L174-Y178 HydrophobicContact CD2-CE2 4.16Å; L174-Y178 HydrophobicContact CG-CD2 4.35Å; L174-Y178 PolarHBondContact O-N 3.44Å; L174-F180 HydrophobicContact CB-CE2 3.61Å; L174-F180 HydrophobicContact CB-CZ 3.62Å; L174-F180 HydrophobicContact CD1-CZ 4.13Å; L174-K227 HydrophobicContact CD1-CB 4.02Å; L174-K227 HydrophobicContact CD1-CG 3.61Å; L174-K227 HydrophobicContact CG-CG 3.92Å; L174-I230 HydrophobicContact CD1-CD1 3.92Å
175	R	87.4	Confident	93.7	Very high	31 Å²	31	37.3 Å²	37.3	12%	0.117	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.4	-177.3	65	-178.4	-61.5	170.9	10.1	113.6	K126 Q127 G129 A171	K126-R175 WeakPolarHBondContact CE-O 3.43Å; K126-R175 PolarHBondContact NZ-O 2.88Å; K126-R175 PolarHBondContact O-NH2 3.08Å; Q127-R175 VanDerWaalsContact O-CZ 3.3Å; Q127-R175 PolarHBondContact O-NH1 3.39Å; Q127-R175 PolarHBondContact O-NH2 3.42Å; G129-R175 PolarHBondContact O-NH2 2.92Å; A171-R175 WeakPolarHBondContact O-CA 3.43Å; A171-R175 VanDerWaalsContact O-CB 3.3Å; A171-R175 WeakPolarHBondContact O-CB 3.45Å; A171-R175 PolarHBondContact O-N 2.88Å
176	D	82.8	Confident	93.7	Very high	97 Å²	97	42 Å²	42	52%	0.519	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-43.1	179.3	-61.9	-11.3	0	0	0	109.7	K126 Q127 L174	K126-D176 PolarHBondContact NZ-O 3.25Å; Q127-D176 PolarHBondContact NE2-OD1 3.32Å; L174-D176 PolarHBondContact O-N 3.09Å; L174-D176 VanDerWaalsContact O-N 3.11Å
177	D	84.7	Confident	93.6	Very high	92 Å²	92	43.8 Å²	43.8	49%	0.492	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-30.8	-174.6	-61.4	-54.2	0	0	0	113.7	L174 Q248	L174-D177 PolarHBondContact O-N 3.42Å; L174-D177 VanDerWaalsContact O-N 3.16Å; D177-Q248 PolarHBondContact OD1-NE2 2.88Å
178	Y	90.8	Very high	93.5	Very high	18 Å²	18	44 Å²	44	7%	0.071	24%	0.244	C	C	.	.	S	Bend	trans	-129.7	161.7	-169.3	-52.4	-77.2	0	0	0	113	K126 L174 I230 V234	K126-Y178 WeakPolarHBondContact CE-O 3.43Å; K126-Y178 PolarHBondContact NZ-O 2.84Å; L174-Y178 HydrophobicContact CB-CD2 3.95Å; L174-Y178 HydrophobicContact CD1-CD2 4.04Å; L174-Y178 HydrophobicContact CD1-CE2 4.13Å; L174-Y178 HydrophobicContact CD2-CD2 4.37Å; L174-Y178 HydrophobicContact CD2-CE2 4.16Å; L174-Y178 HydrophobicContact CG-CD2 4.35Å; L174-Y178 PolarHBondContact O-N 3.44Å; Y178-I230 HydrophobicContact CD1-CG2 3.78Å; Y178-I230 HydrophobicContact CD2-CG2 4.02Å; Y178-I230 HydrophobicContact CE1-CG2 3.79Å; Y178-I230 HydrophobicContact CE2-CG2 4.01Å; Y178-I230 HydrophobicContact CG-CG2 3.89Å; Y178-V234 HydrophobicContact CD1-CG2 3.99Å; Y178-V234 HydrophobicContact CE1-CB 4.13Å; Y178-V234 HydrophobicContact CE1-CG1 3.82Å; Y178-V234 HydrophobicContact CE1-CG2 3.85Å
179	R	93.8	Very high	93.4	Very high	45 Å²	45	41.9 Å²	41.9	17%	0.17	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120.5	177.4	-60.8	172.7	71.8	-103.4	8.7	109.4	F144 D147 S151 V152	F144-R179 HydrophobicContact CZ-CB 3.97Å; F144-R179 PolarHBondContact O-NH1 2.88Å; F144-R179 PolarHBondContact O-NH2 3.18Å; D147-R179 VanDerWaalsContact CG-NE 3.34Å; D147-R179 VanDerWaalsContact CG-NH2 3.31Å; D147-R179 IonicContact OD1-CZ 3.64Å; D147-R179 IonicContact OD1-NE 2.91Å; D147-R179 IonicContact OD2-CZ 3.45Å; D147-R179 IonicContact OD2-NE 2.64Å; D147-R179 PolarHBondContact OD2-NE 3.46Å; D147-R179 IonicContact OD2-NH1 3.15Å; D147-R179 IonicContact OD2-NH2 3.86Å; D147-R179 PolarHBondContact OD2-NH2 2.95Å; S151-R179 PolarHBondContact OG-NH1 3.43Å; V152-R179 PolarHBondContact N-O 2.85Å
180	F	97.5	Very high	93.4	Very high	6 Å²	6	41 Å²	41	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	140.6	-179.9	-68.3	-96	0	0	0	111.8	A131 S132 V133 F144 V152 F167 A171 L174 I230	A131-F180 WeakPolarHBondContact O-CB 3.45Å; S132-F180 WeakPolarHBondContact CA-O 3.34Å; V133-F180 PolarHBondContact N-O 2.89Å; F144-F180 WeakPolarHBondContact CZ-O 3.5Å; V152-F180 HydrophobicContact CB-CD1 3.85Å; V152-F180 HydrophobicContact CB-CE1 3.96Å; V152-F180 HydrophobicContact CB-CG 4.5Å; V152-F180 HydrophobicContact CG1-CD1 3.97Å; V152-F180 HydrophobicContact CG1-CE1 3.87Å; V152-F180 HydrophobicContact CG2-CE1 4.41Å; V152-F180 CarbonylContact O-C 3.43Å; V152-F180 WeakPolarHBondContact O-CA 3.41Å; F167-F180 HydrophobicContact CE1-CD1 4.47Å; F167-F180 AromaticContact CE2-CD1 3.95Å; F167-F180 HydrophobicContact CE2-CD1 3.95Å; F167-F180 HydrophobicContact CE2-CE1 4.38Å; F167-F180 HydrophobicContact CZ-CB 4.48Å; F167-F180 AromaticContact CZ-CD1 3.74Å; F167-F180 HydrophobicContact CZ-CD1 3.74Å; A171-F180 HydrophobicContact CB-CB 3.77Å; A171-F180 HydrophobicContact CB-CD1 3.65Å; A171-F180 HydrophobicContact CB-CD2 3.97Å; A171-F180 HydrophobicContact CB-CE1 4.18Å; A171-F180 HydrophobicContact CB-CE2 4.47Å; A171-F180 HydrophobicContact CB-CG 3.53Å; L174-F180 HydrophobicContact CB-CE2 3.61Å; L174-F180 HydrophobicContact CB-CZ 3.62Å; L174-F180 HydrophobicContact CD1-CZ 4.13Å; F180-I230 HydrophobicContact CE1-CD1 3.51Å; F180-I230 HydrophobicContact CZ-CD1 3.55Å
181	A	98.1	Very high	93.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	163.1	167.2	0	0	0	0	0	110.6	S132 V133 L135 F144 V152 I153 G154 F167	S132-A181 WeakPolarHBondContact OG-CA 3.29Å; S132-A181 PolarHBondContact OG-N 3.31Å; S132-A181 PolarHBondContact OG-O 2.84Å; V133-A181 HydrophobicContact CB-CB 4.41Å; V133-A181 CarbonylContact O-C 3.45Å; V133-A181 WeakPolarHBondContact O-CA 3.49Å; V133-A181 VanDerWaalsContact O-CB 3.25Å; V133-A181 WeakPolarHBondContact O-CB 3.31Å; L135-A181 HydrophobicContact CD1-CB 3.65Å; L135-A181 HydrophobicContact CD2-CB 4.05Å; L135-A181 HydrophobicContact CG-CB 3.77Å; F144-A181 HydrophobicContact CD1-CB 3.81Å; F144-A181 HydrophobicContact CD2-CB 4.12Å; F144-A181 HydrophobicContact CE1-CB 3.49Å; F144-A181 VanDerWaalsContact CE1-CB 3.49Å; F144-A181 HydrophobicContact CE2-CB 3.85Å; F144-A181 HydrophobicContact CG-CB 4.11Å; F144-A181 HydrophobicContact CZ-CB 3.52Å; V152-A181 PolarHBondContact O-N 2.92Å; I153-A181 CarbonylContact C-O 3.6Å; I153-A181 VanDerWaalsContact CA-O 3.28Å; I153-A181 WeakPolarHBondContact CA-O 3.34Å; I153-A181 HydrophobicContact CG1-CB 4.3Å; G154-A181 PolarHBondContact N-O 2.91Å; F167-A181 VanDerWaalsContact CE1-O 3.28Å; F167-A181 WeakPolarHBondContact CE1-O 3.47Å; F167-A181 WeakPolarHBondContact CZ-O 3.47Å
182	H	98.4	Very high	93	Very high	22 Å²	22	46.9 Å²	46.9	10%	0.102	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	159.7	171.3	61.1	-77.1	0	0	0	110.8	S132 V133 E134 L135 G154 F156 Q164 F167	S132-H182 WeakPolarHBondContact CB-ND1 3.36Å; S132-H182 PolarHBondContact O-CE1 3.28Å; S132-H182 PolarHBondContact OG-N 3.04Å; S132-H182 PolarHBondContact OG-ND1 3.22Å; V133-H182 PolarHBondContact O-N 3.17Å; E134-H182 CarbonylContact C-O 3.43Å; E134-H182 WeakPolarHBondContact CA-O 3.5Å; L135-H182 PolarHBondContact N-O 3.19Å; G154-H182 CarbonylContact O-C 3.55Å; G154-H182 WeakPolarHBondContact O-CA 3.5Å; F156-H182 HydrophobicContact CD2-CB 4.49Å; Q164-H182 PolarHBondContact NE2-CD2 3.17Å; F167-H182 HydrophobicContact CD1-CB 4.4Å; F167-H182 HydrophobicContact CE1-CB 3.97Å
183	T	98.3	Very high	92.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	144.2	176.3	-171.1	0	0	0	0	111.9	L135 G154 F155 F156 A185 L188	L135-T183 VanDerWaalsContact O-CB 3.29Å; L135-T183 WeakPolarHBondContact O-CB 3.32Å; L135-T183 PolarHBondContact O-OG1 3.47Å; G154-T183 PolarHBondContact O-N 3.42Å; F155-T183 HydrophobicContact CD1-CG2 3.39Å; F155-T183 HydrophobicContact CE1-CG2 3.79Å; F155-T183 HydrophobicContact CG-CG2 4.15Å; F156-T183 PolarHBondContact N-O 3.26Å; T183-A185 PolarHBondContact OG1-N 2.98Å; T183-A185 VanDerWaalsContact OG1-N 3.17Å; T183-L188 HydrophobicContact CG2-CB 3.79Å; T183-L188 HydrophobicContact CG2-CD1 4.02Å; T183-L188 WeakPolarHBondContact OG1-CD1 3.31Å
184	N	96.7	Very high	93	Very high	40 Å²	40	45 Å²	45	21%	0.214	27%	0.273	C	S	.	.			trans	-119.3	10.9	173.1	-58.5	41	0	0	0	111	F156 D159 Q164 E186	F156-N184 WeakPolarHBondContact O-CA 3.27Å; F156-N184 VanDerWaalsContact O-CB 3.32Å; F156-N184 WeakPolarHBondContact O-CB 3.16Å; F156-N184 PolarHBondContact O-ND2 3.2Å; F156-N184 PolarHBondContact O-OD1 3.06Å; D159-N184 WeakPolarHBondContact CA-ND2 3.28Å; D159-N184 VanDerWaalsContact CB-ND2 3.29Å; D159-N184 WeakPolarHBondContact CB-ND2 3.32Å; D159-N184 PolarHBondContact N-ND2 3.11Å; D159-N184 VanDerWaalsContact N-ND2 3.13Å; Q164-N184 PolarHBondContact OE1-ND2 2.88Å; Q164-N184 VanDerWaalsContact OE1-ND2 3.13Å; N184-E186 PolarHBondContact O-N 2.82Å
185	A	96.6	Very high	93.1	Very high	26 Å²	26	49.6 Å²	49.6	22%	0.215	29%	0.294	C	S	.	.			trans	-76.4	118	178.7	0	0	0	0	0	110.4	T183 A187 L188 L189	T183-A185 PolarHBondContact OG1-N 2.98Å; T183-A185 VanDerWaalsContact OG1-N 3.17Å; A185-A187 PolarHBondContact O-N 3.11Å; A185-L188 HydrophobicContact CB-CB 4.41Å; A185-L188 HydrophobicContact CB-CD1 4.34Å; A185-L188 HydrophobicContact CB-CG 4.48Å; A185-L188 PolarHBondContact O-N 3.41Å; A185-L189 WeakPolarHBondContact O-CD1 3.42Å; A185-L189 PolarHBondContact O-N 2.83Å; A185-L189 VanDerWaalsContact O-N 3.07Å
186	E	95.4	Very high	93.5	Very high	162 Å²	162	48.2 Å²	48.2	76%	0.757	29%	0.29	S	S	*	.	H	α-helix	trans	-50.7	-37.6	-177.4	-173	179	-174.7	0	0	113.5	N184 L188 L189 S190	N184-E186 PolarHBondContact O-N 2.82Å; E186-L188 PolarHBondContact O-N 2.97Å; E186-L189 PolarHBondContact O-N 3.16Å; E186-S190 WeakPolarHBondContact O-CB 3.21Å; E186-S190 PolarHBondContact O-N 2.82Å; E186-S190 PolarHBondContact O-OG 3.48Å
187	A	95.6	Very high	94.3	Very high	78 Å²	78	43.6 Å²	43.6	65%	0.645	27%	0.265	S	S	*	.	H	α-helix	trans	-61.8	-42.1	176.6	0	0	0	0	0	112.7	A185 S191	A185-A187 PolarHBondContact O-N 3.11Å; A187-S191 PolarHBondContact O-N 3.35Å; A187-S191 VanDerWaalsContact O-N 3.12Å; A187-S191 PolarHBondContact O-OG 2.84Å; A187-S191 VanDerWaalsContact O-OG 3.14Å
188	L	96.2	Very high	94.9	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-74.4	-39.3	179.4	-75.8	176.6	0	0	0	112.1	L135 E138 F141 F155 T183 A185 E186 S190 S191 H192	L135-L188 HydrophobicContact CB-CD1 4.31Å; E138-L188 HydrophobicContact CB-CD2 4.47Å; F141-L188 HydrophobicContact CB-CD1 4.16Å; F141-L188 HydrophobicContact CB-CD2 3.81Å; F141-L188 HydrophobicContact CD1-CD2 4.43Å; F141-L188 HydrophobicContact CD2-CD2 4.47Å; F141-L188 HydrophobicContact CG-CD2 3.99Å; F155-L188 HydrophobicContact CE1-CB 4.41Å; T183-L188 HydrophobicContact CG2-CB 3.79Å; T183-L188 HydrophobicContact CG2-CD1 4.02Å; T183-L188 WeakPolarHBondContact OG1-CD1 3.31Å; A185-L188 HydrophobicContact CB-CB 4.41Å; A185-L188 HydrophobicContact CB-CD1 4.34Å; A185-L188 HydrophobicContact CB-CG 4.48Å; A185-L188 PolarHBondContact O-N 3.41Å; E186-L188 PolarHBondContact O-N 2.97Å; L188-S190 VanDerWaalsContact C-N 3.32Å; L188-S191 PolarHBondContact O-N 2.82Å; L188-S191 PolarHBondContact O-OG 2.96Å; L188-H192 WeakPolarHBondContact O-CB 3.28Å; L188-H192 PolarHBondContact O-N 2.69Å; L188-H192 PolarHBondContact O-ND1 3Å
189	L	95.4	Very high	95.3	Very high	16 Å²	16	39 Å²	39	8%	0.084	24%	0.242	C	C	.	.	H	α-helix	trans	-58.8	-46.7	171.9	-82.2	93.2	0	0	0	110.9	F155 A157 A185 E186 S191 H192 G193 G194 E195	F155-L189 HydrophobicContact CB-CG 4.35Å; A157-L189 HydrophobicContact CB-CD2 3.87Å; A185-L189 WeakPolarHBondContact O-CD1 3.42Å; A185-L189 PolarHBondContact O-N 2.83Å; A185-L189 VanDerWaalsContact O-N 3.07Å; E186-L189 PolarHBondContact O-N 3.16Å; L189-S191 PolarHBondContact O-N 2.92Å; L189-H192 PolarHBondContact O-N 2.7Å; L189-G193 PolarHBondContact O-N 2.85Å; L189-G194 WeakPolarHBondContact O-CA 3.39Å; L189-G194 PolarHBondContact O-N 3.02Å; L189-E195 HydrophobicContact CD2-CG 3.98Å
190	S	92.9	Very high	95.5	Very high	89 Å²	89	38.1 Å²	38.1	62%	0.622	24%	0.239	S	C	*	.	H	α-helix	trans	-63.8	-42.1	-178.1	-60.9	0	0	0	0	112.4	E186 L188 H192	E186-S190 WeakPolarHBondContact O-CB 3.21Å; E186-S190 PolarHBondContact O-N 2.82Å; E186-S190 PolarHBondContact O-OG 3.48Å; L188-S190 VanDerWaalsContact C-N 3.32Å; S190-H192 VanDerWaalsContact C-N 3.3Å; S190-H192 PolarHBondContact O-N 2.89Å
191	S	91.9	Very high	95.5	Very high	70 Å²	70	39.6 Å²	39.6	49%	0.49	25%	0.245	S	C	.	.	H	α-helix	trans	-72.9	-19.4	-179.5	59	0	0	0	0	114.1	A187 L188 L189	A187-S191 PolarHBondContact O-N 3.35Å; A187-S191 VanDerWaalsContact O-N 3.12Å; A187-S191 PolarHBondContact O-OG 2.84Å; A187-S191 VanDerWaalsContact O-OG 3.14Å; L188-S191 PolarHBondContact O-N 2.82Å; L188-S191 PolarHBondContact O-OG 2.96Å; L189-S191 PolarHBondContact O-N 2.92Å
192	H	90.9	Very high	95.4	Very high	53 Å²	53	40.1 Å²	40.1	25%	0.245	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	16.9	-176.8	-65.3	81.8	0	0	0	114.1	F141 F155 L188 L189 S190	F141-H192 AromaticContact CE1-CE1 3.66Å; F141-H192 AromaticContact CE1-NE2 3.42Å; F141-H192 WeakPolarHBondContact CE1-NE2 3.3Å; F141-H192 AromaticContact CE2-NE2 3.74Å; F141-H192 AromaticContact CZ-CD2 3.91Å; F141-H192 AromaticContact CZ-CE1 3.58Å; F141-H192 AromaticContact CZ-NE2 3.05Å; F141-H192 WeakPolarHBondContact CZ-NE2 3.49Å; F155-H192 HydrophobicContact CD1-CB 4.05Å; F155-H192 HydrophobicContact CE1-CB 3.6Å; F155-H192 AromaticContact CE1-CG 3.57Å; F155-H192 AromaticContact CE1-ND1 3.73Å; F155-H192 HydrophobicContact CE2-CB 4.33Å; F155-H192 HydrophobicContact CZ-CB 3.76Å; F155-H192 AromaticContact CZ-CD2 3.95Å; F155-H192 AromaticContact CZ-CG 3.62Å; L188-H192 WeakPolarHBondContact O-CB 3.28Å; L188-H192 PolarHBondContact O-N 2.69Å; L188-H192 PolarHBondContact O-ND1 3Å; L189-H192 PolarHBondContact O-N 2.7Å; S190-H192 VanDerWaalsContact C-N 3.3Å; S190-H192 PolarHBondContact O-N 2.89Å
193	G	87.8	Confident	95.3	Very high	57 Å²	57	42.4 Å²	42.4	59%	0.588	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	35.7	172	0	0	0	0	0	114	L189 K215	L189-G193 PolarHBondContact O-N 2.85Å; G193-K215 PolarHBondContact O-NZ 3.28Å; G193-K215 VanDerWaalsContact O-NZ 3.16Å
194	G	90.9	Very high	95.1	Very high	29 Å²	29	45.7 Å²	45.7	30%	0.299	28%	0.277	S	S	.	.	S	Bend	trans	83.7	-152.5	172.7	0	0	0	0	0	114	L189	L189-G194 WeakPolarHBondContact O-CA 3.39Å; L189-G194 PolarHBondContact O-N 3.02Å
195	E	93.6	Very high	95.2	Very high	107 Å²	107	44.6 Å²	44.6	50%	0.5	27%	0.272	S	S	.	.	S	Bend	trans	-69.2	146.8	-178.6	-61.4	-170.9	123.8	0	0	112.4	F155 A157 L189	F155-E195 CarbonylContact O-C 3.26Å; F155-E195 WeakPolarHBondContact O-CA 3.48Å; A157-E195 HydrophobicContact CB-CG 4.42Å; A157-E195 WeakPolarHBondContact CB-OE1 3.3Å; A157-E195 PolarHBondContact N-OE1 3.04Å; L189-E195 HydrophobicContact CD2-CG 3.98Å
196	G	95.9	Very high	95.1	Very high	3 Å²	3	46.4 Å²	46.4	3%	0.031	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.7	179.5	173.6	0	0	0	0	0	114.4	F155	F155-G196 PolarHBondContact N-O 3.28Å; F155-G196 PolarHBondContact O-N 2.82Å
197	V	98.1	Very high	95.2	Very high	0 Å²	0	40 Å²	40	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.9	170.9	177.6	0	0	0	0	108.9	V152 I153 F156 F167 F216 F221 I226 F229	V152-V197 HydrophobicContact CG1-CG1 3.76Å; I153-V197 CarbonylContact O-C 3.57Å; I153-V197 WeakPolarHBondContact O-CA 3.35Å; F156-V197 HydrophobicContact CZ-CG2 4.12Å; F167-V197 HydrophobicContact CD2-CG1 4.25Å; F167-V197 HydrophobicContact CD2-CG2 3.53Å; F167-V197 HydrophobicContact CE2-CG1 3.91Å; F167-V197 HydrophobicContact CE2-CG2 3.95Å; F167-V197 HydrophobicContact CG-CG2 4.42Å; V197-F216 HydrophobicContact CB-CB 3.89Å; V197-F216 WeakPolarHBondContact O-CB 3.26Å; V197-F216 PolarHBondContact O-N 2.87Å; V197-F221 HydrophobicContact CG2-CD1 4.3Å; V197-F221 HydrophobicContact CG2-CE1 3.93Å; V197-I226 HydrophobicContact CG2-CD1 4.46Å; V197-F229 HydrophobicContact CG1-CE1 4.26Å
198	V	98.3	Very high	95.2	Very high	13 Å²	13	45.1 Å²	45.1	8%	0.079	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.3	176.8	-172.6	0	0	0	0	109.3	I153 F155 F200 V214 K215	I153-V198 PolarHBondContact N-O 3.37Å; I153-V198 PolarHBondContact O-N 2.78Å; F155-V198 HydrophobicContact CD2-CG2 4.08Å; F155-V198 HydrophobicContact CE2-CB 4.01Å; F155-V198 HydrophobicContact CE2-CG2 3.79Å; V198-F200 HydrophobicContact CB-CD2 4.41Å; V198-F200 HydrophobicContact CB-CE2 3.7Å; V198-F200 HydrophobicContact CB-CZ 4.1Å; V198-F200 HydrophobicContact CG1-CD2 4.07Å; V198-F200 HydrophobicContact CG1-CE1 4.22Å; V198-F200 HydrophobicContact CG1-CE2 3.53Å; V198-F200 HydrophobicContact CG1-CZ 3.62Å; V198-V214 WeakPolarHBondContact CA-O 3.31Å; V198-K215 HydrophobicContact CG2-CG 4.36Å
199	L	98.6	Very high	95.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	127.9	170.1	-173.7	150.7	0	0	0	108.7	S151 V152 R201 S213 V214 F229 I230 N233 V234	S151-L199 CarbonylContact O-C 3.49Å; V152-L199 HydrophobicContact CG2-CD1 4.34Å; V152-L199 HydrophobicContact CG2-CG 4.44Å; L199-R201 HydrophobicContact CD2-CG 3.85Å; L199-S213 CarbonylContact O-C 3.51Å; L199-S213 WeakPolarHBondContact O-CA 3.45Å; L199-S213 WeakPolarHBondContact O-CB 3.39Å; L199-V214 PolarHBondContact N-O 3.04Å; L199-V214 PolarHBondContact O-N 3.1Å; L199-F229 HydrophobicContact CB-CE1 3.97Å; L199-F229 HydrophobicContact CB-CZ 3.97Å; L199-I230 HydrophobicContact CD1-CG2 4.34Å; L199-N233 HydrophobicContact CD1-CB 4.36Å; L199-V234 HydrophobicContact CD1-CB 3.89Å; L199-V234 HydrophobicContact CD1-CG2 4.27Å
200	F	98.3	Very high	95.3	Very high	26 Å²	26	46.9 Å²	46.9	11%	0.114	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.1	173.6	-62.8	-95.3	0	0	0	109	F141 I145 A150 S151 I153 F155 V198	F141-F200 HydrophobicContact CE2-CE1 4.47Å; F141-F200 HydrophobicContact CE2-CE2 4.03Å; F141-F200 AromaticContact CE2-CZ 3.81Å; F141-F200 HydrophobicContact CE2-CZ 3.81Å; F141-F200 AromaticContact CZ-CE1 3.91Å; F141-F200 HydrophobicContact CZ-CE1 3.91Å; F141-F200 HydrophobicContact CZ-CE2 4.28Å; F141-F200 AromaticContact CZ-CZ 3.65Å; F141-F200 HydrophobicContact CZ-CZ 3.65Å; I145-F200 HydrophobicContact CG2-CB 4.23Å; I145-F200 HydrophobicContact CG2-CD1 4.32Å; I145-F200 HydrophobicContact CG2-CD2 4.05Å; I145-F200 HydrophobicContact CG2-CG 3.95Å; A150-F200 CarbonylContact C-O 3.59Å; A150-F200 VanDerWaalsContact CA-O 3.28Å; A150-F200 WeakPolarHBondContact CA-O 3.13Å; A150-F200 WeakPolarHBondContact CB-O 3.34Å; S151-F200 PolarHBondContact N-O 3Å; S151-F200 PolarHBondContact O-N 2.76Å; I153-F200 HydrophobicContact CB-CE2 4.13Å; I153-F200 HydrophobicContact CD1-CD2 3.9Å; I153-F200 HydrophobicContact CD1-CE2 3.8Å; I153-F200 HydrophobicContact CG1-CD2 4.09Å; I153-F200 HydrophobicContact CG1-CE2 4.09Å; F155-F200 HydrophobicContact CE2-CE2 4.42Å; F155-F200 HydrophobicContact CZ-CE2 4.5Å; V198-F200 HydrophobicContact CB-CD2 4.41Å; V198-F200 HydrophobicContact CB-CE2 3.7Å; V198-F200 HydrophobicContact CB-CZ 4.1Å; V198-F200 HydrophobicContact CG1-CD2 4.07Å; V198-F200 HydrophobicContact CG1-CE1 4.22Å; V198-F200 HydrophobicContact CG1-CE2 3.53Å; V198-F200 HydrophobicContact CG1-CZ 3.62Å
201	R	97.9	Very high	95.5	Very high	38 Å²	38	48.7 Å²	48.7	14%	0.143	28%	0.277	C	S	.	.			trans	-79.1	155.1	175	-66.4	176.5	179	140.6	-3.6	110	L199 E210 D211 G212 N233	L199-R201 HydrophobicContact CD2-CG 3.85Å; R201-E210 IonicContact CZ-OE2 2.63Å; R201-E210 IonicContact NH1-OE2 2.76Å; R201-E210 PolarHBondContact NH1-OE2 3.43Å; R201-D211 PolarHBondContact NH1-O 3.24Å; R201-G212 PolarHBondContact N-O 2.96Å; R201-N233 PolarHBondContact NE-O 3.43Å; R201-N233 PolarHBondContact NH2-O 3.26Å
202	P	96.4	Very high	95.7	Very high	11 Å²	11	47.5 Å²	47.5	7%	0.071	28%	0.276	C	S	.	.			trans	-54.8	126.7	-179	-25.7	32.8	0	0	0	112.1	Q148 R204 L205	Q148-P202 VanDerWaalsContact O-CB 3.28Å; Q148-P202 WeakPolarHBondContact O-CB 3.32Å; Q148-P202 VanDerWaalsContact O-CG 3.29Å; Q148-P202 WeakPolarHBondContact O-CG 3.47Å; P202-R204 HydrophobicContact CB-CG 4.03Å; P202-R204 PolarHBondContact O-N 2.79Å; P202-R204 VanDerWaalsContact O-N 3.11Å; P202-L205 HydrophobicContact CB-CD1 4.31Å; P202-L205 HydrophobicContact CB-CG 4.24Å; P202-L205 HydrophobicContact CG-CD1 4.14Å; P202-L205 WeakPolarHBondContact O-CA 3.45Å; P202-L205 WeakPolarHBondContact O-CB 3.33Å; P202-L205 PolarHBondContact O-N 3.28Å
203	P	95.5	Very high	96	Very high	70 Å²	70	47.4 Å²	47.4	46%	0.455	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-57.4	-31	-179.1	-28.3	35.6	0	0	0	113.6	I145 L205 A206	I145-P203 WeakPolarHBondContact O-CD 3.39Å; I145-P203 WeakPolarHBondContact O-CG 3.29Å; P203-L205 PolarHBondContact O-N 3.23Å; P203-L205 VanDerWaalsContact O-N 3.15Å; P203-A206 VanDerWaalsContact O-CB 3.23Å; P203-A206 WeakPolarHBondContact O-CB 3.43Å; P203-A206 PolarHBondContact O-N 3.42Å
204	R	95.1	Very high	96.5	Very high	68 Å²	68	46.2 Å²	46.2	26%	0.257	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-60.7	-21.7	175.4	71.5	-176.4	178	78	1.6	113.8	Q148 P202 Y263 N271	Q148-R204 PolarHBondContact O-NE 2.91Å; Q148-R204 PolarHBondContact O-NH2 2.81Å; P202-R204 HydrophobicContact CB-CG 4.03Å; P202-R204 PolarHBondContact O-N 2.79Å; P202-R204 VanDerWaalsContact O-N 3.11Å; R204-Y263 HydrophobicContact CB-CD1 4.26Å; R204-Y263 HydrophobicContact CG-CD1 4.42Å; R204-Y263 WeakPolarHBondContact O-CE1 3.2Å; R204-N271 PolarHBondContact O-ND2 2.92Å
205	L	96.9	Very high	96.8	Very high	18 Å²	18	49.2 Å²	49.2	9%	0.094	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-101.6	6.7	178.6	-61	-176.9	0	0	0	112.9	P202 P203 S207 H240 Y263 R274	P202-L205 HydrophobicContact CB-CD1 4.31Å; P202-L205 HydrophobicContact CB-CG 4.24Å; P202-L205 HydrophobicContact CG-CD1 4.14Å; P202-L205 WeakPolarHBondContact O-CA 3.45Å; P202-L205 WeakPolarHBondContact O-CB 3.33Å; P202-L205 PolarHBondContact O-N 3.28Å; P203-L205 PolarHBondContact O-N 3.23Å; P203-L205 VanDerWaalsContact O-N 3.15Å; L205-S207 PolarHBondContact O-N 3.11Å; L205-H240 HydrophobicContact CD2-CB 4.3Å; L205-Y263 HydrophobicContact CD2-CE1 3.92Å; L205-Y263 HydrophobicContact CD2-CE2 3.76Å; L205-Y263 VanDerWaalsContact CD2-OH 3.31Å; L205-Y263 WeakPolarHBondContact CD2-OH 3.2Å; L205-R274 PolarHBondContact O-NH1 3.11Å
206	A	96.1	Very high	97	Very high	64 Å²	64	44.6 Å²	44.6	53%	0.529	25%	0.246	S	C	.	.			trans	-54.7	136.4	178.7	0	0	0	0	0	111.2	P203	P203-A206 VanDerWaalsContact O-CB 3.23Å; P203-A206 WeakPolarHBondContact O-CB 3.43Å; P203-A206 PolarHBondContact O-N 3.42Å
207	S	95.9	Very high	96.9	Very high	28 Å²	28	50.3 Å²	50.3	20%	0.196	28%	0.28	C	S	.	.			trans	-145.5	167.4	179.7	89.8	0	0	0	0	110.3	L205 F209 M278	L205-S207 PolarHBondContact O-N 3.11Å; S207-F209 VanDerWaalsContact C-N 3.3Å; S207-F209 PolarHBondContact OG-N 3.32Å; S207-F209 VanDerWaalsContact OG-N 3.11Å; S207-M278 WeakPolarHBondContact OG-CE 3.45Å
208	K	96.7	Very high	96.7	Very high	184 Å²	184	53.9 Å²	53.9	80%	0.8	30%	0.297	S	S	*	.	S	Bend	trans	-86.6	1.2	173.3	67	175.9	-178	177.3	0	114
209	F	97.1	Very high	96.2	Very high	27 Å²	27	60.8 Å²	60.8	12%	0.118	33%	0.334	C	S	.	.	S	Bend	trans	-97.7	-13.3	-172.3	-56.4	-72.4	0	0	0	112.8	S207 I237 N275 M278 K279 K282	S207-F209 VanDerWaalsContact C-N 3.3Å; S207-F209 PolarHBondContact OG-N 3.32Å; S207-F209 VanDerWaalsContact OG-N 3.11Å; F209-I237 HydrophobicContact CB-CD1 3.93Å; F209-N275 HydrophobicContact CE2-CB 3.84Å; F209-N275 WeakPolarHBondContact CE2-O 3.3Å; F209-N275 WeakPolarHBondContact CE2-OD1 3.45Å; F209-N275 VanDerWaalsContact CZ-O 3.26Å; F209-N275 WeakPolarHBondContact CZ-O 3.4Å; F209-M278 HydrophobicContact CB-CB 4.16Å; F209-M278 HydrophobicContact CB-CE 4.18Å; F209-M278 HydrophobicContact CD2-CB 3.47Å; F209-M278 VanDerWaalsContact CD2-CB 3.47Å; F209-M278 HydrophobicContact CD2-CG 4.41Å; F209-M278 HydrophobicContact CD2-SD 4.11Å; F209-M278 HydrophobicContact CE2-CB 4.01Å; F209-M278 HydrophobicContact CG-CB 3.86Å; F209-K279 HydrophobicContact CE1-CB 3.62Å; F209-K279 HydrophobicContact CE1-CG 3.97Å; F209-K279 HydrophobicContact CZ-CB 3.66Å; F209-K279 HydrophobicContact CZ-CG 4.31Å; F209-K282 HydrophobicContact CB-CD 4.26Å; F209-K282 HydrophobicContact CD1-CD 4.34Å; F209-K282 WeakPolarHBondContact O-CE 3.41Å
210	E	96.8	Very high	95.9	Very high	29 Å²	29	67.7 Å²	67.7	14%	0.136	36%	0.364	C	S	.	.	S	Bend	trans	-154.3	155.2	178.2	65.5	-173.5	158.5	0	0	109.5	R201 G236 I237 R274 M278	R201-E210 IonicContact CZ-OE2 2.63Å; R201-E210 IonicContact NH1-OE2 2.76Å; R201-E210 PolarHBondContact NH1-OE2 3.43Å; E210-G236 WeakPolarHBondContact OE2-CA 3.38Å; E210-I237 PolarHBondContact OE2-N 2.81Å; E210-R274 IonicContact OE1-NH2 3.66Å; E210-R274 PolarHBondContact OE1-NH2 2.67Å; E210-M278 HydrophobicContact CG-CE 3.95Å; E210-M278 WeakPolarHBondContact OE1-CE 3.37Å
211	D	97.1	Very high	95.7	Very high	127 Å²	127	68.8 Å²	68.8	68%	0.679	37%	0.369	S	S	*	.			trans	-69.1	144.2	176.5	-62.6	-37.4	0	0	0	111.3	R201 S213	R201-D211 PolarHBondContact NH1-O 3.24Å; D211-S213 WeakPolarHBondContact CB-O 2.9Å; D211-S213 PolarHBondContact O-N 2.85Å
212	G	96.8	Very high	95.6	Very high	45 Å²	45	69.3 Å²	69.3	46%	0.464	38%	0.376	S	S	.	.	S	Bend	trans	-72.4	-16.2	175.8	0	0	0	0	0	113.2	R201	R201-G212 PolarHBondContact N-O 2.96Å
213	S	97.1	Very high	95.6	Very high	52 Å²	52	69.7 Å²	69.7	36%	0.364	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	155	175.1	61	0	0	0	0	111.6	L199 D211	L199-S213 CarbonylContact O-C 3.51Å; L199-S213 WeakPolarHBondContact O-CA 3.45Å; L199-S213 WeakPolarHBondContact O-CB 3.39Å; D211-S213 WeakPolarHBondContact CB-O 2.9Å; D211-S213 PolarHBondContact O-N 2.85Å
214	V	97.8	Very high	95.5	Very high	32 Å²	32	71.8 Å²	71.8	19%	0.194	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	128.4	178	-169.4	0	0	0	0	107.8	V198 L199 F229 N233	V198-V214 WeakPolarHBondContact CA-O 3.31Å; L199-V214 PolarHBondContact N-O 3.04Å; L199-V214 PolarHBondContact O-N 3.1Å; V214-F229 HydrophobicContact CB-CE2 4.34Å; V214-F229 HydrophobicContact CB-CZ 4.3Å; V214-F229 HydrophobicContact CG1-CE2 3.83Å; V214-F229 HydrophobicContact CG1-CZ 4.26Å; V214-F229 WeakPolarHBondContact O-CZ 3.23Å; V214-N233 HydrophobicContact CG2-CB 4.46Å
215	K	97.1	Very high	95.6	Very high	91 Å²	91	71.4 Å²	71.4	40%	0.396	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	138.9	175.1	-170.7	168.8	-177.2	168.6	0	109.6	G193 V198 T217	G193-K215 PolarHBondContact O-NZ 3.28Å; G193-K215 VanDerWaalsContact O-NZ 3.16Å; V198-K215 HydrophobicContact CG2-CG 4.36Å; K215-T217 PolarHBondContact O-N 3.34Å
216	F	96.9	Very high	95.7	Very high	10 Å²	10	70.5 Å²	70.5	4%	0.044	38%	0.382	C	S	.	.			trans	-66.4	125.5	168.4	-179.1	-99.9	0	0	0	109.6	V197 E218 F221 K225 I226 F229	V197-F216 HydrophobicContact CB-CB 3.89Å; V197-F216 WeakPolarHBondContact O-CB 3.26Å; V197-F216 PolarHBondContact O-N 2.87Å; F216-E218 HydrophobicContact CE1-CB 3.82Å; F216-E218 VanDerWaalsContact CE1-O 3.32Å; F216-E218 WeakPolarHBondContact CE1-O 3.48Å; F216-E218 HydrophobicContact CE2-CB 4.16Å; F216-E218 HydrophobicContact CE2-CG 4.19Å; F216-E218 HydrophobicContact CZ-CB 3.56Å; F216-E218 HydrophobicContact CZ-CG 4.07Å; F216-F221 HydrophobicContact CD1-CE1 4.15Å; F216-F221 HydrophobicContact CD1-CE2 4.14Å; F216-F221 AromaticContact CD1-CZ 3.89Å; F216-F221 HydrophobicContact CD1-CZ 3.89Å; F216-F221 HydrophobicContact CE1-CD1 4.47Å; F216-F221 HydrophobicContact CE1-CD2 4.17Å; F216-F221 HydrophobicContact CE1-CE1 4.49Å; F216-F221 HydrophobicContact CE1-CE2 4.13Å; F216-F221 HydrophobicContact CE1-CG 4.3Å; F216-F221 HydrophobicContact CE1-CZ 4.28Å; F216-K225 HydrophobicContact CE2-CB 4.11Å; F216-K225 HydrophobicContact CZ-CB 3.9Å; F216-I226 HydrophobicContact CE2-CG1 4.3Å; F216-I226 HydrophobicContact CZ-CG1 4.34Å; F216-F229 HydrophobicContact CB-CD1 4.27Å; F216-F229 HydrophobicContact CB-CE1 4.14Å; F216-F229 HydrophobicContact CB-CE2 4.38Å; F216-F229 HydrophobicContact CB-CG 4.45Å; F216-F229 HydrophobicContact CB-CZ 4.2Å; F216-F229 HydrophobicContact CD2-CB 3.63Å; F216-F229 AromaticContact CD2-CD1 3.88Å; F216-F229 HydrophobicContact CD2-CD1 3.88Å; F216-F229 HydrophobicContact CD2-CD2 4Å; F216-F229 AromaticContact CD2-CG 3.56Å; F216-F229 HydrophobicContact CD2-CG 3.56Å; F216-F229 HydrophobicContact CE2-CB 3.91Å; F216-F229 HydrophobicContact CE2-CG 4.35Å; F216-F229 HydrophobicContact CG-CG 4.5Å
217	T	94.8	Very high	95.7	Very high	123 Å²	123	70.1 Å²	70.1	76%	0.755	37%	0.368	S	S	*	.			trans	-114.4	-2.4	-171.3	51.2	0	0	0	0	114.4	K215	K215-T217 PolarHBondContact O-N 3.34Å
218	E	92.7	Very high	95.7	Very high	75 Å²	75	76.5 Å²	76.5	35%	0.35	39%	0.388	S	S	.	.			trans	-75.4	141.9	179.8	-60.1	-159.6	-133.8	0	0	112.2	F216 K220 K225	F216-E218 HydrophobicContact CE1-CB 3.82Å; F216-E218 VanDerWaalsContact CE1-O 3.32Å; F216-E218 WeakPolarHBondContact CE1-O 3.48Å; F216-E218 HydrophobicContact CE2-CB 4.16Å; F216-E218 HydrophobicContact CE2-CG 4.19Å; F216-E218 HydrophobicContact CZ-CB 3.56Å; F216-E218 HydrophobicContact CZ-CG 4.07Å; E218-K220 PolarHBondContact O-N 3.26Å; E218-K220 VanDerWaalsContact O-N 3.09Å; E218-K225 HydrophobicContact CB-CD 4.44Å; E218-K225 WeakPolarHBondContact OE2-CD 3.34Å; E218-K225 WeakPolarHBondContact OE2-CE 3.3Å; E218-K225 IonicContact OE2-NZ 2.77Å; E218-K225 PolarHBondContact OE2-NZ 2.82Å
219	D	89	Confident	95.8	Very high	159 Å²	159	68.5 Å²	68.5	85%	0.85	35%	0.353	S	S	*	.	S	Bend	trans	-64.3	-18.5	-174.8	-19.2	-40.3	0	0	0	114.3
220	K	92	Very high	95.8	Very high	145 Å²	145	67.2 Å²	67.2	63%	0.63	35%	0.348	S	S	*	.	S	Bend	trans	-126.5	127.1	-178.2	-68.6	-172.4	179.7	-177.2	0	110.8	E218 T222 K225	E218-K220 PolarHBondContact O-N 3.26Å; E218-K220 VanDerWaalsContact O-N 3.09Å; K220-T222 PolarHBondContact O-N 2.83Å; K220-K225 WeakPolarHBondContact O-CD 3.49Å
221	F	93.5	Very high	95.6	Very high	49 Å²	49	71 Å²	71	22%	0.215	37%	0.366	C	S	.	.			trans	-84.1	106.1	174.7	-72.3	-119.1	0	0	0	107.7	F156 E163 E166 V197 F216 I226	F156-F221 HydrophobicContact CE1-CD1 4.23Å; F156-F221 HydrophobicContact CE1-CE1 4.13Å; E163-F221 HydrophobicContact CB-CB 4.09Å; E163-F221 HydrophobicContact CB-CD1 4.07Å; E163-F221 HydrophobicContact CB-CG 4.04Å; E163-F221 HydrophobicContact CG-CB 3.95Å; E163-F221 HydrophobicContact CG-CD1 4.32Å; E163-F221 HydrophobicContact CG-CD2 4.07Å; E163-F221 HydrophobicContact CG-CG 3.86Å; E166-F221 WeakPolarHBondContact CG-O 3.49Å; V197-F221 HydrophobicContact CG2-CD1 4.3Å; V197-F221 HydrophobicContact CG2-CE1 3.93Å; F216-F221 HydrophobicContact CD1-CE1 4.15Å; F216-F221 HydrophobicContact CD1-CE2 4.14Å; F216-F221 AromaticContact CD1-CZ 3.89Å; F216-F221 HydrophobicContact CD1-CZ 3.89Å; F216-F221 HydrophobicContact CE1-CD1 4.47Å; F216-F221 HydrophobicContact CE1-CD2 4.17Å; F216-F221 HydrophobicContact CE1-CE1 4.49Å; F216-F221 HydrophobicContact CE1-CE2 4.13Å; F216-F221 HydrophobicContact CE1-CG 4.3Å; F216-F221 HydrophobicContact CE1-CZ 4.28Å; F221-I226 HydrophobicContact CD1-CD1 4.49Å
222	T	96.4	Very high	95.5	Very high	48 Å²	48	70.1 Å²	70.1	29%	0.294	36%	0.361	S	S	.	.			trans	-129	147.1	167.5	73	0	0	0	0	108.4	K220 N224 K225 I226	K220-T222 PolarHBondContact O-N 2.83Å; T222-N224 PolarHBondContact O-N 3.44Å; T222-N224 VanDerWaalsContact O-N 3.16Å; T222-K225 HydrophobicContact CG2-CD 4.46Å; T222-K225 PolarHBondContact O-N 3.21Å; T222-K225 WeakPolarHBondContact OG1-CG 2.83Å; T222-K225 PolarHBondContact OG1-N 3.43Å; T222-I226 WeakPolarHBondContact O-CG1 3.48Å; T222-I226 PolarHBondContact O-N 2.96Å
223	S	95.6	Very high	95.5	Very high	20 Å²	20	70 Å²	70	14%	0.14	35%	0.35	C	S	.	.	H	α-helix	trans	-52.7	-39.1	179	48.4	0	0	0	0	112.3	E166 I226 K227	E166-S223 WeakPolarHBondContact O-CB 3.29Å; E166-S223 WeakPolarHBondContact OE2-CB 3.25Å; E166-S223 PolarHBondContact OE2-N 3.18Å; E166-S223 PolarHBondContact OE2-OG 2.77Å; S223-I226 PolarHBondContact O-N 3.34Å; S223-K227 WeakPolarHBondContact O-CB 3.5Å; S223-K227 WeakPolarHBondContact O-CG 3.38Å; S223-K227 PolarHBondContact O-N 3.11Å
224	N	94.8	Very high	95.5	Very high	114 Å²	114	68.1 Å²	68.1	61%	0.61	34%	0.335	S	S	*	.	H	α-helix	trans	-66.8	-41.2	177.1	-71.2	-18.7	0	0	0	113.6	T222 K227 R228	T222-N224 PolarHBondContact O-N 3.44Å; T222-N224 VanDerWaalsContact O-N 3.16Å; N224-K227 PolarHBondContact O-N 3.41Å; N224-R228 PolarHBondContact O-N 3.17Å; N224-R228 VanDerWaalsContact O-N 3.08Å
225	K	97.5	Very high	95.4	Very high	59 Å²	59	68.7 Å²	68.7	26%	0.257	34%	0.336	S	S	.	.	H	α-helix	trans	-67	-40.8	176.7	-72.5	175.3	168.9	-141.4	0	111.1	F216 E218 K220 T222 R228 F229	F216-K225 HydrophobicContact CE2-CB 4.11Å; F216-K225 HydrophobicContact CZ-CB 3.9Å; E218-K225 HydrophobicContact CB-CD 4.44Å; E218-K225 WeakPolarHBondContact OE2-CD 3.34Å; E218-K225 WeakPolarHBondContact OE2-CE 3.3Å; E218-K225 IonicContact OE2-NZ 2.77Å; E218-K225 PolarHBondContact OE2-NZ 2.82Å; K220-K225 WeakPolarHBondContact O-CD 3.49Å; T222-K225 HydrophobicContact CG2-CD 4.46Å; T222-K225 PolarHBondContact O-N 3.21Å; T222-K225 WeakPolarHBondContact OG1-CG 2.83Å; T222-K225 PolarHBondContact OG1-N 3.43Å; K225-R228 PolarHBondContact O-N 2.97Å; K225-F229 WeakPolarHBondContact O-CB 3.47Å; K225-F229 PolarHBondContact O-N 2.93Å
226	I	97.9	Very high	95.3	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63	-45.9	175.8	-65.1	167.7	0	0	0	110.6	F167 A170 V197 F216 F221 T222 S223 R228 F229 I230	F167-I226 HydrophobicContact CB-CD1 4.2Å; F167-I226 HydrophobicContact CD2-CD1 4.43Å; F167-I226 HydrophobicContact CD2-CG2 4.44Å; A170-I226 HydrophobicContact CB-CB 4.02Å; A170-I226 HydrophobicContact CB-CG2 3.72Å; V197-I226 HydrophobicContact CG2-CD1 4.46Å; F216-I226 HydrophobicContact CE2-CG1 4.3Å; F216-I226 HydrophobicContact CZ-CG1 4.34Å; F221-I226 HydrophobicContact CD1-CD1 4.49Å; T222-I226 WeakPolarHBondContact O-CG1 3.48Å; T222-I226 PolarHBondContact O-N 2.96Å; S223-I226 PolarHBondContact O-N 3.34Å; I226-R228 VanDerWaalsContact C-N 3.35Å; I226-R228 PolarHBondContact O-N 3.16Å; I226-F229 WeakPolarHBondContact O-CB 3.3Å; I226-F229 PolarHBondContact O-N 3.02Å; I226-I230 HydrophobicContact CG2-CD1 3.86Å; I226-I230 WeakPolarHBondContact O-CD1 3.49Å; I226-I230 VanDerWaalsContact O-CG1 3.27Å; I226-I230 WeakPolarHBondContact O-CG1 3.3Å; I226-I230 PolarHBondContact O-N 3.44Å
227	K	96.6	Very high	95.3	Very high	56 Å²	56	67 Å²	67	24%	0.243	34%	0.337	C	S	.	.	H	α-helix	trans	-55.1	-49.9	175.5	-74.8	172.4	-179.6	-174.6	0	111.8	A170 A173 L174 S223 N224 I230 Q231	A170-K227 HydrophobicContact CB-CG 4.37Å; A173-K227 VanDerWaalsContact CB-NZ 3.25Å; L174-K227 HydrophobicContact CD1-CB 4.02Å; L174-K227 HydrophobicContact CD1-CG 3.61Å; L174-K227 HydrophobicContact CG-CG 3.92Å; S223-K227 WeakPolarHBondContact O-CB 3.5Å; S223-K227 WeakPolarHBondContact O-CG 3.38Å; S223-K227 PolarHBondContact O-N 3.11Å; N224-K227 PolarHBondContact O-N 3.41Å; K227-I230 PolarHBondContact O-N 2.89Å; K227-Q231 WeakPolarHBondContact O-CG 3.32Å; K227-Q231 PolarHBondContact O-N 3.28Å
228	R	96.5	Very high	95.5	Very high	161 Å²	161	61.1 Å²	61.1	61%	0.608	30%	0.301	S	S	*	.	H	α-helix	trans	-62.2	-45.9	178.7	-177.3	175.1	-176	168.6	4.7	111.6	N224 K225 I226 I230 Q231 D232	N224-R228 PolarHBondContact O-N 3.17Å; N224-R228 VanDerWaalsContact O-N 3.08Å; K225-R228 PolarHBondContact O-N 2.97Å; I226-R228 VanDerWaalsContact C-N 3.35Å; I226-R228 PolarHBondContact O-N 3.16Å; R228-I230 VanDerWaalsContact C-N 3.29Å; R228-I230 PolarHBondContact O-N 3.09Å; R228-Q231 PolarHBondContact O-N 3.46Å; R228-D232 WeakPolarHBondContact CG-OD2 3.45Å; R228-D232 IonicContact NE-OD2 2.66Å; R228-D232 WeakPolarHBondContact O-CB 3.49Å; R228-D232 VanDerWaalsContact O-CG 3.24Å; R228-D232 PolarHBondContact O-N 3.07Å
229	F	97.9	Very high	95.8	Very high	17 Å²	17	57.9 Å²	57.9	8%	0.075	29%	0.286	C	S	.	.	H	α-helix	trans	-54.3	-45.1	175.3	163.3	-105.1	0	0	0	112.1	V197 L199 V214 F216 K225 I226 N233	V197-F229 HydrophobicContact CG1-CE1 4.26Å; L199-F229 HydrophobicContact CB-CE1 3.97Å; L199-F229 HydrophobicContact CB-CZ 3.97Å; V214-F229 HydrophobicContact CB-CE2 4.34Å; V214-F229 HydrophobicContact CB-CZ 4.3Å; V214-F229 HydrophobicContact CG1-CE2 3.83Å; V214-F229 HydrophobicContact CG1-CZ 4.26Å; V214-F229 WeakPolarHBondContact O-CZ 3.23Å; F216-F229 HydrophobicContact CB-CD1 4.27Å; F216-F229 HydrophobicContact CB-CE1 4.14Å; F216-F229 HydrophobicContact CB-CE2 4.38Å; F216-F229 HydrophobicContact CB-CG 4.45Å; F216-F229 HydrophobicContact CB-CZ 4.2Å; F216-F229 HydrophobicContact CD2-CB 3.63Å; F216-F229 AromaticContact CD2-CD1 3.88Å; F216-F229 HydrophobicContact CD2-CD1 3.88Å; F216-F229 HydrophobicContact CD2-CD2 4Å; F216-F229 AromaticContact CD2-CG 3.56Å; F216-F229 HydrophobicContact CD2-CG 3.56Å; F216-F229 HydrophobicContact CE2-CB 3.91Å; F216-F229 HydrophobicContact CE2-CG 4.35Å; F216-F229 HydrophobicContact CG-CG 4.5Å; K225-F229 WeakPolarHBondContact O-CB 3.47Å; K225-F229 PolarHBondContact O-N 2.93Å; I226-F229 WeakPolarHBondContact O-CB 3.3Å; I226-F229 PolarHBondContact O-N 3.02Å; F229-N233 WeakPolarHBondContact CD2-ND2 3.44Å; F229-N233 WeakPolarHBondContact O-CB 3.37Å; F229-N233 PolarHBondContact O-N 3.35Å; F229-N233 PolarHBondContact O-ND2 2.9Å
230	I	97	Very high	96.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-63.3	-52.2	178.2	-64.2	161.6	0	0	0	110.2	V152 L174 Y178 F180 L199 I226 K227 R228 D232 N233 V234	V152-I230 HydrophobicContact CG1-CD1 3.97Å; V152-I230 HydrophobicContact CG1-CG1 4.11Å; V152-I230 HydrophobicContact CG2-CD1 4.09Å; V152-I230 HydrophobicContact CG2-CG1 3.97Å; V152-I230 HydrophobicContact CG2-CG2 4.21Å; L174-I230 HydrophobicContact CD1-CD1 3.92Å; Y178-I230 HydrophobicContact CD1-CG2 3.78Å; Y178-I230 HydrophobicContact CD2-CG2 4.02Å; Y178-I230 HydrophobicContact CE1-CG2 3.79Å; Y178-I230 HydrophobicContact CE2-CG2 4.01Å; Y178-I230 HydrophobicContact CG-CG2 3.89Å; F180-I230 HydrophobicContact CE1-CD1 3.51Å; F180-I230 HydrophobicContact CZ-CD1 3.55Å; L199-I230 HydrophobicContact CD1-CG2 4.34Å; I226-I230 HydrophobicContact CG2-CD1 3.86Å; I226-I230 WeakPolarHBondContact O-CD1 3.49Å; I226-I230 VanDerWaalsContact O-CG1 3.27Å; I226-I230 WeakPolarHBondContact O-CG1 3.3Å; I226-I230 PolarHBondContact O-N 3.44Å; K227-I230 PolarHBondContact O-N 2.89Å; R228-I230 VanDerWaalsContact C-N 3.29Å; R228-I230 PolarHBondContact O-N 3.09Å; I230-D232 VanDerWaalsContact C-N 3.26Å; I230-D232 PolarHBondContact O-N 3Å; I230-N233 PolarHBondContact O-N 3.07Å; I230-N233 VanDerWaalsContact O-N 3.12Å; I230-V234 HydrophobicContact CG2-CB 4.38Å; I230-V234 VanDerWaalsContact O-CB 3.25Å; I230-V234 WeakPolarHBondContact O-CB 3.2Å; I230-V234 WeakPolarHBondContact O-CG1 3.28Å; I230-V234 PolarHBondContact O-N 2.91Å
231	Q	93.6	Very high	96.4	Very high	109 Å²	109	44.4 Å²	44.4	51%	0.509	22%	0.22	S	C	.	.	H	α-helix	trans	-58.8	-37	-178.6	-70.7	172.2	-24.3	0	0	112.8	K227 R228	K227-Q231 WeakPolarHBondContact O-CG 3.32Å; K227-Q231 PolarHBondContact O-N 3.28Å; R228-Q231 PolarHBondContact O-N 3.46Å
232	D	94.3	Very high	96.5	Very high	108 Å²	108	43.1 Å²	43.1	58%	0.578	22%	0.217	S	C	*	.	H	α-helix	trans	-76.1	-22.2	-178.9	-71.3	-13.7	0	0	0	112.7	R228 I230	R228-D232 WeakPolarHBondContact CG-OD2 3.45Å; R228-D232 IonicContact NE-OD2 2.66Å; R228-D232 WeakPolarHBondContact O-CB 3.49Å; R228-D232 VanDerWaalsContact O-CG 3.24Å; R228-D232 PolarHBondContact O-N 3.07Å; I230-D232 VanDerWaalsContact C-N 3.26Å; I230-D232 PolarHBondContact O-N 3Å
233	N	96.5	Very high	96.1	Very high	43 Å²	43	44 Å²	44	23%	0.23	22%	0.22	C	C	.	.	H	α-helix	trans	-121.1	-23.1	-167.4	-68.6	-81.3	0	0	0	115.6	L199 R201 V214 F229 I230 F235 G236	L199-N233 HydrophobicContact CD1-CB 4.36Å; R201-N233 PolarHBondContact NE-O 3.43Å; R201-N233 PolarHBondContact NH2-O 3.26Å; V214-N233 HydrophobicContact CG2-CB 4.46Å; F229-N233 WeakPolarHBondContact CD2-ND2 3.44Å; F229-N233 WeakPolarHBondContact O-CB 3.37Å; F229-N233 PolarHBondContact O-N 3.35Å; F229-N233 PolarHBondContact O-ND2 2.9Å; I230-N233 PolarHBondContact O-N 3.07Å; I230-N233 VanDerWaalsContact O-N 3.12Å; N233-F235 VanDerWaalsContact C-N 3.28Å; N233-F235 PolarHBondContact O-N 3.11Å; N233-G236 PolarHBondContact O-N 3.19Å
234	V	96.3	Very high	95.5	Very high	11 Å²	11	50 Å²	50	7%	0.067	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-37.8	-168.4	67	0	0	0	0	113.8	A150 Y178 L199 I230	A150-V234 HydrophobicContact CB-CG2 3.47Å; A150-V234 VanDerWaalsContact CB-CG2 3.47Å; Y178-V234 HydrophobicContact CD1-CG2 3.99Å; Y178-V234 HydrophobicContact CE1-CB 4.13Å; Y178-V234 HydrophobicContact CE1-CG1 3.82Å; Y178-V234 HydrophobicContact CE1-CG2 3.85Å; L199-V234 HydrophobicContact CD1-CB 3.89Å; L199-V234 HydrophobicContact CD1-CG2 4.27Å; I230-V234 HydrophobicContact CG2-CB 4.38Å; I230-V234 VanDerWaalsContact O-CB 3.25Å; I230-V234 WeakPolarHBondContact O-CB 3.2Å; I230-V234 WeakPolarHBondContact O-CG1 3.28Å; I230-V234 PolarHBondContact O-N 2.91Å
235	F	95.9	Very high	95.4	Very high	45 Å²	45	45.7 Å²	45.7	20%	0.197	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-21.3	-174.4	-70.9	-58.2	0	0	0	114.7	N233 P239 N245 Q248 L249	N233-F235 VanDerWaalsContact C-N 3.28Å; N233-F235 PolarHBondContact O-N 3.11Å; F235-P239 HydrophobicContact CB-CB 3.91Å; F235-P239 HydrophobicContact CB-CG 3.89Å; F235-P239 HydrophobicContact CD1-CB 3.82Å; F235-P239 HydrophobicContact CD1-CG 4.37Å; F235-P239 HydrophobicContact CG-CB 4.23Å; F235-P239 HydrophobicContact CG-CG 4.36Å; F235-P239 WeakPolarHBondContact O-CD 3.39Å; F235-N245 HydrophobicContact CE1-CB 3.97Å; F235-N245 HydrophobicContact CZ-CB 4.1Å; F235-Q248 HydrophobicContact CE2-CB 3.92Å; F235-Q248 HydrophobicContact CZ-CB 3.99Å; F235-Q248 VanDerWaalsContact CZ-OE1 3.23Å; F235-L249 HydrophobicContact CB-CD2 4.17Å; F235-L249 HydrophobicContact CD1-CD1 4.47Å; F235-L249 HydrophobicContact CD1-CD2 3.95Å; F235-L249 HydrophobicContact CD2-CD2 3.58Å; F235-L249 HydrophobicContact CE1-CD1 4.41Å; F235-L249 HydrophobicContact CE1-CD2 4.2Å; F235-L249 HydrophobicContact CE1-CG 4.35Å; F235-L249 HydrophobicContact CE2-CD2 3.85Å; F235-L249 HydrophobicContact CE2-CG 4.38Å; F235-L249 HydrophobicContact CG-CD2 3.62Å; F235-L249 HydrophobicContact CZ-CD2 4.14Å; F235-L249 HydrophobicContact CZ-CG 4.27Å
236	G	96.6	Very high	95.2	Very high	25 Å²	25	45.4 Å²	45.4	26%	0.258	23%	0.226	S	C	.	.			trans	64.1	-162.5	-171.5	0	0	0	0	0	113.1	E210 N233	E210-G236 WeakPolarHBondContact OE2-CA 3.38Å; N233-G236 PolarHBondContact O-N 3.19Å
237	I	96.9	Very high	94.8	Very high	40 Å²	40	52 Å²	52	21%	0.205	26%	0.261	C	S	.	.	S	Bend	trans	-76.1	-26.8	-172.2	68.1	173.4	0	0	0	113.2	F209 E210 M278 K282 L285 F293	F209-I237 HydrophobicContact CB-CD1 3.93Å; E210-I237 PolarHBondContact OE2-N 2.81Å; I237-M278 HydrophobicContact CD1-CB 4.16Å; I237-M278 HydrophobicContact CD1-CE 3.65Å; I237-M278 HydrophobicContact CD1-CG 4.21Å; I237-M278 HydrophobicContact CG1-CE 3.4Å; I237-M278 HydrophobicContact CG1-CG 4.29Å; I237-K282 HydrophobicContact CD1-CB 4.41Å; I237-L285 HydrophobicContact CB-CD1 3.96Å; I237-L285 HydrophobicContact CG2-CD1 4.01Å; I237-F293 WeakPolarHBondContact O-CB 3.42Å
238	C	98.4	Very high	94.5	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-150.5	74.1	-174.6	-170	0	0	0	0	111.3	R274 M278 F293	C238-R274 VanDerWaalsContact O-CZ 3.25Å; C238-R274 PolarHBondContact O-NE 3.02Å; C238-R274 PolarHBondContact O-NH2 3.46Å; C238-M278 HydrophobicContact CB-CE 4.38Å; C238-M278 HydrophobicContact CB-CG 3.48Å; C238-M278 VanDerWaalsContact CB-CG 3.48Å; C238-M278 HydrophobicContact CB-SD 4.3Å; C238-F293 WeakPolarHBondContact CA-O 3.47Å; C238-F293 HydrophobicContact CB-CB 4.23Å
239	P	97.9	Very high	94.4	Very high	7 Å²	7	45 Å²	45	5%	0.045	24%	0.236	C	C	.	.			trans	-59.8	164.3	175.4	25.3	-39.7	0	0	0	114.3	F235 L249 F293 A294 V295	F235-P239 HydrophobicContact CB-CB 3.91Å; F235-P239 HydrophobicContact CB-CG 3.89Å; F235-P239 HydrophobicContact CD1-CB 3.82Å; F235-P239 HydrophobicContact CD1-CG 4.37Å; F235-P239 HydrophobicContact CG-CB 4.23Å; F235-P239 HydrophobicContact CG-CG 4.36Å; F235-P239 WeakPolarHBondContact O-CD 3.39Å; P239-L249 HydrophobicContact CB-CD1 4.02Å; P239-L249 HydrophobicContact CB-CD2 4.44Å; P239-L249 HydrophobicContact CG-CD1 3.75Å; P239-L249 HydrophobicContact CG-CD2 3.69Å; P239-L249 HydrophobicContact CG-CG 4.4Å; P239-F293 WeakPolarHBondContact CD-O 3.37Å; P239-A294 HydrophobicContact CG-CB 4.32Å; P239-A294 WeakPolarHBondContact O-CA 3.37Å; P239-V295 PolarHBondContact O-N 3.21Å
240	H	98	Very high	94.2	Very high	21 Å²	21	47.1 Å²	47.1	10%	0.097	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	112.3	162.5	176.9	-150.3	0	0	0	108.7	L205 T242 N245 V261 Y263	L205-H240 HydrophobicContact CD2-CB 4.3Å; H240-T242 VanDerWaalsContact CE1-CG2 3.49Å; H240-T242 WeakPolarHBondContact CE1-CG2 3.39Å; H240-N245 PolarHBondContact O-ND2 3.23Å; H240-V261 VanDerWaalsContact CD2-CG1 3.49Å; H240-V261 WeakPolarHBondContact CD2-CG1 3.37Å; H240-V261 VanDerWaalsContact NE2-CG1 3.3Å; H240-V261 WeakPolarHBondContact NE2-CG1 3.33Å; H240-Y263 HydrophobicContact CB-CE2 4.3Å; H240-Y263 AromaticContact ND1-CD2 3.95Å
241	L	97.3	Very high	93.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	122.1	174.8	-179.5	68.2	0	0	0	109.7	N245 K246 L249 V256 A294 V295 A296 F301	L241-N245 WeakPolarHBondContact CA-OD1 3.43Å; L241-K246 HydrophobicContact CD1-CB 3.78Å; L241-L249 HydrophobicContact CB-CD1 4.41Å; L241-L249 HydrophobicContact CD1-CB 3.95Å; L241-L249 HydrophobicContact CD1-CD1 3.74Å; L241-L249 HydrophobicContact CD1-CG 4.44Å; L241-V256 HydrophobicContact CD2-CG1 4.29Å; L241-V256 HydrophobicContact CD2-CG2 4.32Å; L241-A294 HydrophobicContact CB-CB 4.15Å; L241-V295 PolarHBondContact N-O 3.17Å; L241-A296 HydrophobicContact CB-CB 3.99Å; L241-A296 HydrophobicContact CD2-CB 4.01Å; L241-A296 HydrophobicContact CG-CB 4.39Å; L241-F301 HydrophobicContact CD2-CE1 4.28Å; L241-F301 HydrophobicContact CD2-CZ 4.23Å; L241-F301 HydrophobicContact CG-CE1 4.32Å; L241-F301 HydrophobicContact CG-CE2 4.17Å; L241-F301 HydrophobicContact CG-CZ 3.84Å; L241-F301 WeakPolarHBondContact O-CE2 3.01Å
242	T	94	Very high	94	Very high	22 Å²	22	50.2 Å²	50.2	14%	0.135	28%	0.276	C	S	.	.			trans	-129.4	169.8	177.6	65.5	0	0	0	0	109.8	H240 D244 N245 K246	H240-T242 VanDerWaalsContact CE1-CG2 3.49Å; H240-T242 WeakPolarHBondContact CE1-CG2 3.39Å; T242-D244 PolarHBondContact O-N 3.18Å; T242-D244 PolarHBondContact OG1-N 2.8Å; T242-N245 PolarHBondContact N-OD1 2.87Å; T242-N245 PolarHBondContact O-N 3.19Å; T242-N245 PolarHBondContact O-OD1 2.96Å; T242-N245 PolarHBondContact OG1-ND2 2.93Å; T242-K246 WeakPolarHBondContact O-CB 3.13Å; T242-K246 PolarHBondContact O-N 3.25Å
243	D	87.6	Confident	94.2	Very high	67 Å²	67	48 Å²	48	36%	0.358	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.7	174.4	-81	-54.2	0	0	0	113.1	K246 Q300	D243-K246 IonicContact OD1-NZ 3.96Å; D243-K246 PolarHBondContact OD1-NZ 2.91Å; D243-Q300 PolarHBondContact OD2-NE2 3.02Å
244	D	84.7	Confident	94.3	Very high	144 Å²	144	46.5 Å²	46.5	77%	0.77	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-28	-177.8	-51.7	-40.6	0	0	0	113.2	T242	T242-D244 PolarHBondContact O-N 3.18Å; T242-D244 PolarHBondContact OG1-N 2.8Å
245	N	91.4	Very high	94.4	Very high	25 Å²	25	46 Å²	46	13%	0.134	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	0.3	-174.7	69.4	24.2	0	0	0	114.2	F235 H240 L241 T242 D247 Q248 L249	F235-N245 HydrophobicContact CE1-CB 3.97Å; F235-N245 HydrophobicContact CZ-CB 4.1Å; H240-N245 PolarHBondContact O-ND2 3.23Å; L241-N245 WeakPolarHBondContact CA-OD1 3.43Å; T242-N245 PolarHBondContact N-OD1 2.87Å; T242-N245 PolarHBondContact O-N 3.19Å; T242-N245 PolarHBondContact O-OD1 2.96Å; T242-N245 PolarHBondContact OG1-ND2 2.93Å; N245-D247 VanDerWaalsContact C-N 3.26Å; N245-D247 PolarHBondContact O-N 3.14Å; N245-Q248 PolarHBondContact O-N 3.37Å; N245-Q248 VanDerWaalsContact O-N 3.11Å; N245-L249 PolarHBondContact O-N 2.98Å; N245-L249 WeakPolarHBondContact OD1-CD1 2.99Å
246	K	93.1	Very high	94.5	Very high	53 Å²	53	44.1 Å²	44.1	23%	0.23	25%	0.246	C	C	.	.	H	α-helix	trans	-58.3	-36.5	-175.7	66.2	-174.6	170.5	-166.2	0	113.5	L241 T242 D243 Q248 L249 K250 F301	L241-K246 HydrophobicContact CD1-CB 3.78Å; T242-K246 WeakPolarHBondContact O-CB 3.13Å; T242-K246 PolarHBondContact O-N 3.25Å; D243-K246 IonicContact OD1-NZ 3.96Å; D243-K246 PolarHBondContact OD1-NZ 2.91Å; K246-Q248 VanDerWaalsContact C-N 3.27Å; K246-Q248 PolarHBondContact O-N 3.46Å; K246-L249 PolarHBondContact O-N 3.47Å; K246-K250 HydrophobicContact CB-CD 4.31Å; K246-K250 VanDerWaalsContact O-CB 3.22Å; K246-K250 WeakPolarHBondContact O-CB 3.33Å; K246-K250 WeakPolarHBondContact O-CG 3.47Å; K246-K250 PolarHBondContact O-N 2.89Å; K246-F301 HydrophobicContact CB-CE1 4.46Å; K246-F301 HydrophobicContact CD-CE1 4.31Å
247	D	90.4	Very high	94.6	Very high	137 Å²	137	42.9 Å²	42.9	73%	0.733	23%	0.233	S	C	*	.	H	α-helix	trans	-74	-23.1	-176.8	-61.9	-34.4	0	0	0	112.1	N245	N245-D247 VanDerWaalsContact C-N 3.26Å; N245-D247 PolarHBondContact O-N 3.14Å
248	Q	90.6	Very high	94.6	Very high	57 Å²	57	41.2 Å²	41.2	27%	0.266	23%	0.225	S	C	.	.	H	α-helix	trans	-81.8	-25.9	174.7	-63.2	177.1	-25.2	0	0	112.4	D177 F235 N245 K246 K252	D177-Q248 PolarHBondContact OD1-NE2 2.88Å; F235-Q248 HydrophobicContact CE2-CB 3.92Å; F235-Q248 HydrophobicContact CZ-CB 3.99Å; F235-Q248 VanDerWaalsContact CZ-OE1 3.23Å; N245-Q248 PolarHBondContact O-N 3.37Å; N245-Q248 VanDerWaalsContact O-N 3.11Å; K246-Q248 VanDerWaalsContact C-N 3.27Å; K246-Q248 PolarHBondContact O-N 3.46Å; Q248-K252 PolarHBondContact O-NZ 3.23Å
249	L	93.6	Very high	94.5	Very high	14 Å²	14	41.4 Å²	41.4	7%	0.073	23%	0.225	C	C	.	.	H	α-helix	trans	-97	-39.1	-176.5	-66.4	179.4	0	0	0	113.7	F235 P239 L241 N245 K246	F235-L249 HydrophobicContact CB-CD2 4.17Å; F235-L249 HydrophobicContact CD1-CD1 4.47Å; F235-L249 HydrophobicContact CD1-CD2 3.95Å; F235-L249 HydrophobicContact CD2-CD2 3.58Å; F235-L249 HydrophobicContact CE1-CD1 4.41Å; F235-L249 HydrophobicContact CE1-CD2 4.2Å; F235-L249 HydrophobicContact CE1-CG 4.35Å; F235-L249 HydrophobicContact CE2-CD2 3.85Å; F235-L249 HydrophobicContact CE2-CG 4.38Å; F235-L249 HydrophobicContact CG-CD2 3.62Å; F235-L249 HydrophobicContact CZ-CD2 4.14Å; F235-L249 HydrophobicContact CZ-CG 4.27Å; P239-L249 HydrophobicContact CB-CD1 4.02Å; P239-L249 HydrophobicContact CB-CD2 4.44Å; P239-L249 HydrophobicContact CG-CD1 3.75Å; P239-L249 HydrophobicContact CG-CD2 3.69Å; P239-L249 HydrophobicContact CG-CG 4.4Å; L241-L249 HydrophobicContact CB-CD1 4.41Å; L241-L249 HydrophobicContact CD1-CB 3.95Å; L241-L249 HydrophobicContact CD1-CD1 3.74Å; L241-L249 HydrophobicContact CD1-CG 4.44Å; N245-L249 PolarHBondContact O-N 2.98Å; N245-L249 WeakPolarHBondContact OD1-CD1 2.99Å; K246-L249 PolarHBondContact O-N 3.47Å
250	K	93.9	Very high	94.4	Very high	62 Å²	62	43.9 Å²	43.9	27%	0.27	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	168.4	179.6	-68.4	-175.6	175.6	-174.4	0	111.5	K246 K252 L254 D304	K246-K250 HydrophobicContact CB-CD 4.31Å; K246-K250 VanDerWaalsContact O-CB 3.22Å; K246-K250 WeakPolarHBondContact O-CB 3.33Å; K246-K250 WeakPolarHBondContact O-CG 3.47Å; K246-K250 PolarHBondContact O-N 2.89Å; K250-K252 VanDerWaalsContact C-N 3.29Å; K250-K252 PolarHBondContact O-N 2.75Å; K250-L254 HydrophobicContact CG-CD2 4.29Å; K250-D304 WeakPolarHBondContact CE-OD2 3.19Å; K250-D304 IonicContact NZ-OD1 2.66Å; K250-D304 PolarHBondContact NZ-OD1 3.12Å; K250-D304 IonicContact NZ-OD2 3.06Å; K250-D304 PolarHBondContact NZ-OD2 3.2Å
251	G	91.5	Very high	94.3	Very high	68 Å²	68	43 Å²	43	70%	0.701	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.9	-2.6	-178.9	0	0	0	0	0	115
252	K	94.6	Very high	94.2	Very high	105 Å²	105	45.2 Å²	45.2	46%	0.457	25%	0.246	S	C	.	.	S	Bend	trans	-108.5	170.1	171.9	-59.4	167.5	-174.9	161.9	0	109.5	Q248 K250 L254 N292	Q248-K252 PolarHBondContact O-NZ 3.23Å; K250-K252 VanDerWaalsContact C-N 3.29Å; K250-K252 PolarHBondContact O-N 2.75Å; K252-L254 PolarHBondContact O-N 2.86Å; K252-N292 WeakPolarHBondContact CB-ND2 3.5Å
253	D	97.9	Very high	94.2	Very high	62 Å²	62	45.4 Å²	45.4	33%	0.332	24%	0.244	S	C	.	.	S	Bend	trans	-61	108.6	165.8	-66.7	-10.6	0	0	0	108.7	L291 N292 T324 A325	D253-L291 HydrophobicContact CB-CD1 3.93Å; D253-N292 VanDerWaalsContact O-CB 3.3Å; D253-N292 WeakPolarHBondContact O-CB 3.28Å; D253-N292 PolarHBondContact O-N 3.2Å; D253-N292 PolarHBondContact O-ND2 3.43Å; D253-T324 WeakPolarHBondContact OD1-CA 3.37Å; D253-T324 VanDerWaalsContact OD1-CB 3.3Å; D253-T324 WeakPolarHBondContact OD1-CB 3.01Å; D253-A325 PolarHBondContact OD1-N 2.95Å
254	L	98.6	Very high	94.4	Very high	11 Å²	11	48.2 Å²	48.2	6%	0.058	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	122.4	-168.7	178.7	65.4	0	0	0	110.6	K250 K252 V256 N292 A294 I322 R323	K250-L254 HydrophobicContact CG-CD2 4.29Å; K252-L254 PolarHBondContact O-N 2.86Å; L254-V256 HydrophobicContact CD1-CG2 4.44Å; L254-V256 HydrophobicContact CD2-CG2 3.71Å; L254-V256 HydrophobicContact CG-CG2 3.73Å; L254-N292 WeakPolarHBondContact CA-O 3.35Å; L254-N292 HydrophobicContact CD1-CB 3.78Å; L254-A294 HydrophobicContact CD1-CB 4.09Å; L254-I322 WeakPolarHBondContact O-CA 3.45Å; L254-R323 PolarHBondContact N-O 3.07Å; L254-R323 PolarHBondContact O-N 3.07Å
255	L	98.7	Very high	94.9	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	128.5	163	-173.2	153.8	0	0	0	109.4	L291 N292 F293 A294 V320 A321 I322 L343 F346 L347	L255-L291 HydrophobicContact CB-CD2 4.07Å; L255-L291 HydrophobicContact CB-CG 4.35Å; L255-L291 HydrophobicContact CD1-CD2 4.38Å; L255-N292 PolarHBondContact N-O 3.3Å; L255-F293 HydrophobicContact CB-CD1 3.92Å; L255-F293 HydrophobicContact CB-CE1 4.29Å; L255-F293 HydrophobicContact CD1-CD1 4.18Å; L255-F293 HydrophobicContact CD1-CE1 4.05Å; L255-F293 HydrophobicContact CD2-CD1 4.07Å; L255-F293 HydrophobicContact CG-CD1 4.28Å; L255-F293 CarbonylContact O-C 3.57Å; L255-F293 WeakPolarHBondContact O-CA 3.36Å; L255-A294 PolarHBondContact O-N 2.65Å; L255-V320 HydrophobicContact CD1-CG1 3.8Å; L255-V320 HydrophobicContact CD2-CG1 3.65Å; L255-V320 HydrophobicContact CG-CG1 3.72Å; L255-A321 CarbonylContact C-O 3.48Å; L255-A321 WeakPolarHBondContact CA-O 3.31Å; L255-I322 HydrophobicContact CB-CG1 3.85Å; L255-I322 HydrophobicContact CD1-CD1 4.13Å; L255-I322 HydrophobicContact CD1-CG1 3.92Å; L255-I322 HydrophobicContact CG-CG1 3.9Å; L255-L343 HydrophobicContact CD1-CD1 4Å; L255-F346 HydrophobicContact CD1-CD1 4.49Å; L255-F346 HydrophobicContact CD1-CE1 4.18Å; L255-L347 HydrophobicContact CD1-CD1 4.47Å; L255-L347 HydrophobicContact CD1-CD2 3.59Å; L255-L347 HydrophobicContact CD1-CG 4.17Å
256	V	98.6	Very high	95	Very high	6 Å²	6	52.2 Å²	52.2	4%	0.036	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.7	171.4	-170.8	0	0	0	0	109.7	L241 L254 Y258 A294 A296 A321	L241-V256 HydrophobicContact CD2-CG1 4.29Å; L241-V256 HydrophobicContact CD2-CG2 4.32Å; L254-V256 HydrophobicContact CD1-CG2 4.44Å; L254-V256 HydrophobicContact CD2-CG2 3.71Å; L254-V256 HydrophobicContact CG-CG2 3.73Å; V256-Y258 HydrophobicContact CB-CD2 4.18Å; V256-Y258 HydrophobicContact CB-CE1 4.37Å; V256-Y258 HydrophobicContact CB-CE2 3.51Å; V256-Y258 HydrophobicContact CG1-CD1 4.02Å; V256-Y258 HydrophobicContact CG1-CD2 3.94Å; V256-Y258 HydrophobicContact CG1-CE1 3.65Å; V256-Y258 HydrophobicContact CG1-CE2 3.58Å; V256-Y258 HydrophobicContact CG1-CG 4.15Å; V256-Y258 VanDerWaalsContact CG1-CZ 3.42Å; V256-A294 WeakPolarHBondContact CA-O 3.34Å; V256-A294 HydrophobicContact CG2-CB 4.49Å; V256-A296 HydrophobicContact CG1-CB 3.54Å; V256-A321 PolarHBondContact N-O 3.35Å; V256-A321 PolarHBondContact O-N 3.28Å; V256-A321 VanDerWaalsContact O-N 3.1Å
257	A	98.3	Very high	95.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	114.2	167.2	0	0	0	0	0	109.1	V277 A294 V295 A296 P318 V319 V320	A257-V277 HydrophobicContact CB-CG2 3.74Å; A257-A294 PolarHBondContact N-O 3.12Å; A257-V295 HydrophobicContact CB-CG1 4.39Å; A257-V295 WeakPolarHBondContact O-CA 3.42Å; A257-A296 PolarHBondContact O-N 3.18Å; A257-P318 HydrophobicContact CB-CB 4.44Å; A257-V319 WeakPolarHBondContact CA-O 3.18Å; A257-V320 HydrophobicContact CB-CG2 4.09Å
258	Y	97.4	Very high	95.4	Very high	5 Å²	5	54.6 Å²	54.6	2%	0.02	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.7	-178.6	-59.4	-93	0	0	0	110.5	V256 A296 F301 D304 L305 F308 P318 V319	V256-Y258 HydrophobicContact CB-CD2 4.18Å; V256-Y258 HydrophobicContact CB-CE1 4.37Å; V256-Y258 HydrophobicContact CB-CE2 3.51Å; V256-Y258 HydrophobicContact CG1-CD1 4.02Å; V256-Y258 HydrophobicContact CG1-CD2 3.94Å; V256-Y258 HydrophobicContact CG1-CE1 3.65Å; V256-Y258 HydrophobicContact CG1-CE2 3.58Å; V256-Y258 HydrophobicContact CG1-CG 4.15Å; V256-Y258 VanDerWaalsContact CG1-CZ 3.42Å; Y258-A296 WeakPolarHBondContact CA-O 3.39Å; Y258-A296 HydrophobicContact CD1-CB 3.67Å; Y258-A296 HydrophobicContact CE1-CB 3.79Å; Y258-F301 HydrophobicContact CD1-CB 4.09Å; Y258-F301 HydrophobicContact CE1-CB 3.7Å; Y258-F301 HydrophobicContact CE1-CG 4.41Å; Y258-D304 HydrophobicContact CE1-CB 4.26Å; Y258-L305 HydrophobicContact CD1-CD2 4.06Å; Y258-L305 HydrophobicContact CD1-CG 4.27Å; Y258-L305 HydrophobicContact CD2-CD2 3.53Å; Y258-L305 HydrophobicContact CE2-CD2 4.05Å; Y258-L305 HydrophobicContact CG-CD2 3.53Å; Y258-L305 HydrophobicContact CG-CG 4.21Å; Y258-F308 HydrophobicContact CE2-CE2 4.48Å; Y258-P318 VanDerWaalsContact O-CA 3.3Å; Y258-P318 WeakPolarHBondContact O-CA 3.31Å; Y258-V319 PolarHBondContact N-O 3.46Å; Y258-V319 PolarHBondContact O-N 2.88Å
259	Y	96.3	Very high	95.7	Very high	3 Å²	3	52.7 Å²	52.7	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	-170.4	174.3	58	-82.2	0	0	0	109.5	V261 S270 W273 R274 V295 A296 N297 K298 P318	Y259-V261 HydrophobicContact CD1-CG2 4.01Å; Y259-V261 HydrophobicContact CD2-CG2 3.84Å; Y259-V261 HydrophobicContact CE1-CG2 3.69Å; Y259-V261 HydrophobicContact CE2-CB 4.4Å; Y259-V261 HydrophobicContact CE2-CG2 3.51Å; Y259-V261 HydrophobicContact CG-CG2 4.08Å; Y259-V261 VanDerWaalsContact CZ-CG2 3.42Å; Y259-V261 PolarHBondContact O-N 3.19Å; Y259-S270 PolarHBondContact OH-O 2.85Å; Y259-W273 HydrophobicContact CD1-CB 4.27Å; Y259-W273 HydrophobicContact CD2-CB 4.07Å; Y259-W273 AromaticContact CD2-CD1 3.63Å; Y259-W273 HydrophobicContact CD2-CG 4.16Å; Y259-W273 HydrophobicContact CE1-CB 3.85Å; Y259-W273 HydrophobicContact CE2-CB 3.6Å; Y259-W273 AromaticContact CE2-CD1 3.8Å; Y259-W273 HydrophobicContact CE2-CG 4.1Å; Y259-W273 HydrophobicContact CG-CB 4.38Å; Y259-W273 VanDerWaalsContact CZ-CB 3.48Å; Y259-R274 WeakPolarHBondContact OH-CB 3.4Å; Y259-R274 PolarHBondContact OH-N 3.41Å; Y259-V295 HydrophobicContact CE1-CB 3.74Å; Y259-V295 HydrophobicContact CE1-CG1 3.72Å; Y259-A296 PolarHBondContact N-O 3.23Å; Y259-A296 VanDerWaalsContact N-O 3.16Å; Y259-N297 CarbonylContact O-C 3.57Å; Y259-N297 WeakPolarHBondContact O-CA 3.5Å; Y259-K298 PolarHBondContact O-N 3.43Å; Y259-P318 HydrophobicContact CD1-CB 3.96Å; Y259-P318 HydrophobicContact CD1-CG 3.93Å; Y259-P318 HydrophobicContact CG-CB 4.4Å; Y259-P318 HydrophobicContact CG-CG 4.13Å
260	D	94.9	Very high	95.9	Very high	59 Å²	59	52 Å²	52	32%	0.316	27%	0.274	S	S	.	.			trans	-75	66.2	176.4	-64.3	-53.1	0	0	0	111.9	D262 K298 N299	D260-D262 PolarHBondContact O-N 3.36Å; D260-K298 WeakPolarHBondContact OD1-CE 3.16Å; D260-K298 IonicContact OD1-NZ 3.1Å; D260-K298 WeakPolarHBondContact OD2-CE 3.43Å; D260-K298 IonicContact OD2-NZ 2.81Å; D260-K298 PolarHBondContact OD2-NZ 3.24Å; D260-N299 PolarHBondContact OD1-ND2 3.38Å
261	V	96.4	Very high	96	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.024	27%	0.27	C	S	.	.			trans	-71.2	112	172.9	-172.9	0	0	0	0	108.8	H240 Y259 Y263 V295 A296 N297	H240-V261 VanDerWaalsContact CD2-CG1 3.49Å; H240-V261 WeakPolarHBondContact CD2-CG1 3.37Å; H240-V261 VanDerWaalsContact NE2-CG1 3.3Å; H240-V261 WeakPolarHBondContact NE2-CG1 3.33Å; Y259-V261 HydrophobicContact CD1-CG2 4.01Å; Y259-V261 HydrophobicContact CD2-CG2 3.84Å; Y259-V261 HydrophobicContact CE1-CG2 3.69Å; Y259-V261 HydrophobicContact CE2-CB 4.4Å; Y259-V261 HydrophobicContact CE2-CG2 3.51Å; Y259-V261 HydrophobicContact CG-CG2 4.08Å; Y259-V261 VanDerWaalsContact CZ-CG2 3.42Å; Y259-V261 PolarHBondContact O-N 3.19Å; V261-Y263 HydrophobicContact CG1-CD2 3.98Å; V261-Y263 HydrophobicContact CG1-CE2 3.65Å; V261-V295 HydrophobicContact CG2-CB 4.15Å; V261-V295 HydrophobicContact CG2-CG2 4.29Å; V261-A296 WeakPolarHBondContact CG2-O 3.36Å; V261-N297 HydrophobicContact CB-CB 4.32Å; V261-N297 PolarHBondContact O-ND2 3.17Å
262	D	94.9	Very high	96.3	Very high	46 Å²	46	51.7 Å²	51.7	25%	0.246	25%	0.253	C	S	.	.			trans	-149.3	103	177.5	-174.5	-27	0	0	0	107.9	D260 D264 K265 N266 S270	D260-D262 PolarHBondContact O-N 3.36Å; D262-D264 VanDerWaalsContact C-N 3.31Å; D262-D264 PolarHBondContact OD1-N 2.65Å; D262-K265 PolarHBondContact OD1-N 2.85Å; D262-K265 WeakPolarHBondContact OD2-CB 3.13Å; D262-K265 WeakPolarHBondContact OD2-CD 3.43Å; D262-N266 CarbonylContact O-C 3.55Å; D262-N266 WeakPolarHBondContact O-CA 3.43Å; D262-N266 PolarHBondContact O-N 2.8Å; D262-S270 VanDerWaalsContact C-OG 3.29Å; D262-S270 PolarHBondContact N-OG 3.15Å; D262-S270 PolarHBondContact O-OG 3.07Å
263	Y	94.8	Very high	96.5	Very high	25 Å²	25	47.7 Å²	47.7	10%	0.098	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-11.1	-179.8	-78.4	-83.1	0	0	0	113.3	R204 L205 H240 V261 P267 R274	R204-Y263 HydrophobicContact CB-CD1 4.26Å; R204-Y263 HydrophobicContact CG-CD1 4.42Å; R204-Y263 WeakPolarHBondContact O-CE1 3.2Å; L205-Y263 HydrophobicContact CD2-CE1 3.92Å; L205-Y263 HydrophobicContact CD2-CE2 3.76Å; L205-Y263 VanDerWaalsContact CD2-OH 3.31Å; L205-Y263 WeakPolarHBondContact CD2-OH 3.2Å; H240-Y263 HydrophobicContact CB-CE2 4.3Å; H240-Y263 AromaticContact ND1-CD2 3.95Å; V261-Y263 HydrophobicContact CG1-CD2 3.98Å; V261-Y263 HydrophobicContact CG1-CE2 3.65Å; Y263-P267 HydrophobicContact CD1-CB 4.32Å; Y263-R274 WeakPolarHBondContact OH-CD 3.22Å
264	D	91.9	Very high	96.5	Very high	127 Å²	127	44.8 Å²	44.8	68%	0.679	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-45.6	178	-64.7	-40.6	0	0	0	110.7	D262	D262-D264 VanDerWaalsContact C-N 3.31Å; D262-D264 PolarHBondContact OD1-N 2.65Å
265	K	94.3	Very high	96.5	Very high	181 Å²	181	46.4 Å²	46.4	79%	0.787	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-28.9	-177.2	-58.7	178.7	-174.8	165.4	0	113.5	D262	D262-K265 PolarHBondContact OD1-N 2.85Å; D262-K265 WeakPolarHBondContact OD2-CB 3.13Å; D262-K265 WeakPolarHBondContact OD2-CD 3.43Å
266	N	95.1	Very high	96.5	Very high	72 Å²	72	49.3 Å²	49.3	39%	0.385	24%	0.239	S	C	.	.			trans	-138.6	55.9	-175.1	-169.1	14.9	0	0	0	114	D262 K268 G269 S270	D262-N266 CarbonylContact O-C 3.55Å; D262-N266 WeakPolarHBondContact O-CA 3.43Å; D262-N266 PolarHBondContact O-N 2.8Å; N266-K268 PolarHBondContact O-N 3.27Å; N266-G269 PolarHBondContact O-N 2.96Å; N266-G269 WeakPolarHBondContact OD1-CA 3.41Å; N266-G269 PolarHBondContact OD1-N 3.42Å; N266-S270 WeakPolarHBondContact O-CB 3.47Å; N266-S270 PolarHBondContact O-N 3.39Å; N266-S270 PolarHBondContact O-OG 3.26Å
267	P	95.7	Very high	96.5	Very high	56 Å²	56	49 Å²	49	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-62.1	-31.2	-179.5	23.6	-33.7	0	0	0	113	Y263 N271	Y263-P267 HydrophobicContact CD1-CB 4.32Å; P267-N271 WeakPolarHBondContact O-CB 3.27Å; P267-N271 PolarHBondContact O-N 2.97Å; P267-N271 PolarHBondContact O-ND2 2.6Å
268	K	95.7	Very high	96.5	Very high	184 Å²	184	49 Å²	49	80%	0.8	24%	0.238	S	C	*	.	H	α-helix	trans	-67.9	-48.4	177.8	-71	-176.7	-179.7	177.5	0	111.8	N266 N271 Y272	N266-K268 PolarHBondContact O-N 3.27Å; K268-N271 PolarHBondContact O-N 3.23Å; K268-Y272 VanDerWaalsContact O-CB 3.3Å; K268-Y272 WeakPolarHBondContact O-CB 3.38Å; K268-Y272 PolarHBondContact O-N 3.01Å
269	G	96.2	Very high	96.5	Very high	17 Å²	17	54.9 Å²	54.9	18%	0.175	26%	0.263	C	S	.	.	H	α-helix	trans	-65.3	-40.7	175.5	0	0	0	0	0	112.1	N266 N271 Y272 W273	N266-G269 PolarHBondContact O-N 2.96Å; N266-G269 WeakPolarHBondContact OD1-CA 3.41Å; N266-G269 PolarHBondContact OD1-N 3.42Å; G269-N271 PolarHBondContact O-N 2.77Å; G269-Y272 WeakPolarHBondContact O-CB 3.3Å; G269-Y272 PolarHBondContact O-N 3.02Å; G269-W273 PolarHBondContact O-N 2.88Å
270	S	97.4	Very high	96.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-54.7	-51.5	174.5	-63.6	0	0	0	0	112	Y259 D262 N266 R274	Y259-S270 PolarHBondContact OH-O 2.85Å; D262-S270 VanDerWaalsContact C-OG 3.29Å; D262-S270 PolarHBondContact N-OG 3.15Å; D262-S270 PolarHBondContact O-OG 3.07Å; N266-S270 WeakPolarHBondContact O-CB 3.47Å; N266-S270 PolarHBondContact O-N 3.39Å; N266-S270 PolarHBondContact O-OG 3.26Å; S270-R274 WeakPolarHBondContact O-CB 3.33Å; S270-R274 PolarHBondContact O-N 3.15Å
271	N	97.5	Very high	96.8	Very high	34 Å²	34	52.6 Å²	52.6	18%	0.182	25%	0.252	C	S	.	.	H	α-helix	trans	-71.1	-31.3	177.4	-80.4	-47.6	0	0	0	113.3	R204 P267 K268 G269 W273 N275	R204-N271 PolarHBondContact O-ND2 2.92Å; P267-N271 WeakPolarHBondContact O-CB 3.27Å; P267-N271 PolarHBondContact O-N 2.97Å; P267-N271 PolarHBondContact O-ND2 2.6Å; K268-N271 PolarHBondContact O-N 3.23Å; G269-N271 PolarHBondContact O-N 2.77Å; N271-W273 PolarHBondContact O-N 3.23Å; N271-N275 WeakPolarHBondContact O-CB 3.29Å; N271-N275 PolarHBondContact O-N 2.91Å; N271-N275 PolarHBondContact O-ND2 2.75Å
272	Y	97.4	Very high	96.9	Very high	89 Å²	89	55.6 Å²	55.6	35%	0.349	26%	0.264	S	S	.	.	H	α-helix	trans	-58.3	-46.6	179.6	176.7	-86	0	0	0	112	K268 G269 R276 R338	K268-Y272 VanDerWaalsContact O-CB 3.3Å; K268-Y272 WeakPolarHBondContact O-CB 3.38Å; K268-Y272 PolarHBondContact O-N 3.01Å; G269-Y272 WeakPolarHBondContact O-CB 3.3Å; G269-Y272 PolarHBondContact O-N 3.02Å; Y272-R276 VanDerWaalsContact CE1-CZ 3.48Å; Y272-R276 VanDerWaalsContact CE1-NH1 3.33Å; Y272-R276 VanDerWaalsContact CE2-CZ 3.43Å; Y272-R276 VanDerWaalsContact CE2-NH2 3.3Å; Y272-R276 VanDerWaalsContact CG-NH1 3.34Å; Y272-R276 PolarHBondContact O-NH1 3.16Å; Y272-R276 PolarHBondContact OH-NH2 3.26Å; Y272-R276 VanDerWaalsContact OH-NH2 3.13Å; Y272-R338 WeakPolarHBondContact OH-CD 3.46Å
273	W	98.1	Very high	97.1	Very high	20 Å²	20	55 Å²	55	8%	0.076	27%	0.268	C	S	.	.	H	α-helix	trans	-78.9	-44.7	179.1	-67.8	125.6	0	0	0	112.2	Y259 G269 N271 N275 R276 V277 E316 L317 P318 F336 R338	Y259-W273 HydrophobicContact CD1-CB 4.27Å; Y259-W273 HydrophobicContact CD2-CB 4.07Å; Y259-W273 AromaticContact CD2-CD1 3.63Å; Y259-W273 HydrophobicContact CD2-CG 4.16Å; Y259-W273 HydrophobicContact CE1-CB 3.85Å; Y259-W273 HydrophobicContact CE2-CB 3.6Å; Y259-W273 AromaticContact CE2-CD1 3.8Å; Y259-W273 HydrophobicContact CE2-CG 4.1Å; Y259-W273 HydrophobicContact CG-CB 4.38Å; Y259-W273 VanDerWaalsContact CZ-CB 3.48Å; G269-W273 PolarHBondContact O-N 2.88Å; N271-W273 PolarHBondContact O-N 3.23Å; W273-N275 VanDerWaalsContact C-N 3.29Å; W273-N275 PolarHBondContact O-N 2.84Å; W273-R276 WeakPolarHBondContact O-CB 3.25Å; W273-R276 PolarHBondContact O-N 3.22Å; W273-V277 PolarHBondContact O-N 3.48Å; W273-V277 VanDerWaalsContact O-N 3.13Å; W273-E316 PolarHBondContact NE1-O 3.21Å; W273-L317 HydrophobicContact CH2-CD2 3.4Å; W273-L317 HydrophobicContact CZ2-CD2 3.71Å; W273-L317 HydrophobicContact CZ3-CD2 4.37Å; W273-P318 HydrophobicContact CB-CG 3.96Å; W273-P318 HydrophobicContact CD2-CG 3.64Å; W273-P318 HydrophobicContact CE3-CG 3.76Å; W273-P318 HydrophobicContact CG-CG 3.73Å; W273-P318 HydrophobicContact CZ3-CG 4.47Å; W273-F336 HydrophobicContact CE3-CD1 4.06Å; W273-F336 AromaticContact CE3-CE1 3.86Å; W273-F336 HydrophobicContact CE3-CE1 3.86Å; W273-F336 AromaticContact CZ3-CD1 3.74Å; W273-F336 HydrophobicContact CZ3-CD1 3.74Å; W273-F336 AromaticContact CZ3-CE1 3.85Å; W273-F336 HydrophobicContact CZ3-CE1 3.85Å; W273-R338 HydrophobicContact CH2-CG 3.81Å; W273-R338 HydrophobicContact CZ3-CG 4.05Å
274	R	98.6	Very high	97.2	Very high	1 Å²	1	54 Å²	54	0%	0.004	27%	0.265	C	S	.	.	H	α-helix	trans	-54.2	-44.8	176.9	-178	176.3	174.2	-95.9	-3.3	112.1	L205 E210 C238 Y259 Y263 S270 R276 V277 M278 V295	L205-R274 PolarHBondContact O-NH1 3.11Å; E210-R274 IonicContact OE1-NH2 3.66Å; E210-R274 PolarHBondContact OE1-NH2 2.67Å; C238-R274 VanDerWaalsContact O-CZ 3.25Å; C238-R274 PolarHBondContact O-NE 3.02Å; C238-R274 PolarHBondContact O-NH2 3.46Å; Y259-R274 WeakPolarHBondContact OH-CB 3.4Å; Y259-R274 PolarHBondContact OH-N 3.41Å; Y263-R274 WeakPolarHBondContact OH-CD 3.22Å; S270-R274 WeakPolarHBondContact O-CB 3.33Å; S270-R274 PolarHBondContact O-N 3.15Å; R274-R276 PolarHBondContact O-N 2.9Å; R274-V277 WeakPolarHBondContact O-CB 3.35Å; R274-V277 PolarHBondContact O-N 3.35Å; R274-M278 HydrophobicContact CG-CG 4.24Å; R274-M278 HydrophobicContact CG-SD 3.94Å; R274-M278 PolarHBondContact NH1-SD 2.87Å; R274-M278 WeakPolarHBondContact O-CB 3.47Å; R274-M278 WeakPolarHBondContact O-CG 3.09Å; R274-M278 PolarHBondContact O-N 3.28Å; R274-V295 HydrophobicContact CB-CG1 4.05Å; R274-V295 HydrophobicContact CB-CG2 4.41Å; R274-V295 HydrophobicContact CG-CG1 4.06Å; R274-V295 HydrophobicContact CG-CG2 4.24Å
275	N	98.3	Very high	97.5	Very high	46 Å²	46	50.5 Å²	50.5	25%	0.246	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-28.9	178.8	-79.2	-40.9	0	0	0	113.4	F209 N271 W273 K279	F209-N275 HydrophobicContact CE2-CB 3.84Å; F209-N275 WeakPolarHBondContact CE2-O 3.3Å; F209-N275 WeakPolarHBondContact CE2-OD1 3.45Å; F209-N275 VanDerWaalsContact CZ-O 3.26Å; F209-N275 WeakPolarHBondContact CZ-O 3.4Å; N271-N275 WeakPolarHBondContact O-CB 3.29Å; N271-N275 PolarHBondContact O-N 2.91Å; N271-N275 PolarHBondContact O-ND2 2.75Å; W273-N275 VanDerWaalsContact C-N 3.29Å; W273-N275 PolarHBondContact O-N 2.84Å; N275-K279 WeakPolarHBondContact O-CB 3.2Å; N275-K279 PolarHBondContact O-N 3.16Å
276	R	98.4	Very high	97.6	Very high	61 Å²	61	47.1 Å²	47.1	23%	0.23	24%	0.236	C	C	.	.	H	α-helix	trans	-75.6	-41.1	175.7	-72.8	169.6	168.1	71.2	4.3	111.5	Y272 W273 R274 K279 V280 F336 R338	Y272-R276 VanDerWaalsContact CE1-CZ 3.48Å; Y272-R276 VanDerWaalsContact CE1-NH1 3.33Å; Y272-R276 VanDerWaalsContact CE2-CZ 3.43Å; Y272-R276 VanDerWaalsContact CE2-NH2 3.3Å; Y272-R276 VanDerWaalsContact CG-NH1 3.34Å; Y272-R276 PolarHBondContact O-NH1 3.16Å; Y272-R276 PolarHBondContact OH-NH2 3.26Å; Y272-R276 VanDerWaalsContact OH-NH2 3.13Å; W273-R276 WeakPolarHBondContact O-CB 3.25Å; W273-R276 PolarHBondContact O-N 3.22Å; R274-R276 PolarHBondContact O-N 2.9Å; R276-K279 PolarHBondContact O-N 3.37Å; R276-V280 PolarHBondContact O-N 2.72Å; R276-F336 HydrophobicContact CB-CE1 4.22Å; R276-F336 HydrophobicContact CB-CZ 4.16Å; R276-R338 WeakPolarHBondContact CD-O 3.46Å; R276-R338 PolarHBondContact NE-O 3.24Å
277	V	98.8	Very high	97.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.8	-50.7	171.7	179.4	0	0	0	0	109.7	A257 W273 R274 K279 V280 A281 F336 L343	A257-V277 HydrophobicContact CB-CG2 3.74Å; W273-V277 PolarHBondContact O-N 3.48Å; W273-V277 VanDerWaalsContact O-N 3.13Å; R274-V277 WeakPolarHBondContact O-CB 3.35Å; R274-V277 PolarHBondContact O-N 3.35Å; V277-K279 PolarHBondContact O-N 3Å; V277-V280 PolarHBondContact O-N 2.7Å; V277-A281 VanDerWaalsContact O-CB 3.29Å; V277-A281 WeakPolarHBondContact O-CB 3.36Å; V277-A281 PolarHBondContact O-N 2.98Å; V277-F336 HydrophobicContact CG2-CE2 4.2Å; V277-F336 HydrophobicContact CG2-CZ 4.22Å; V277-L343 HydrophobicContact CB-CD2 4.42Å; V277-L343 HydrophobicContact CG1-CD2 4.37Å; V277-L343 HydrophobicContact CG2-CD2 4.38Å
278	M	98.6	Very high	97.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-39.8	178.6	-71.3	178.9	94.5	0	0	113.4	S207 F209 E210 I237 C238 R274 V280 A281 K282	S207-M278 WeakPolarHBondContact OG-CE 3.45Å; F209-M278 HydrophobicContact CB-CB 4.16Å; F209-M278 HydrophobicContact CB-CE 4.18Å; F209-M278 HydrophobicContact CD2-CB 3.47Å; F209-M278 VanDerWaalsContact CD2-CB 3.47Å; F209-M278 HydrophobicContact CD2-CG 4.41Å; F209-M278 HydrophobicContact CD2-SD 4.11Å; F209-M278 HydrophobicContact CE2-CB 4.01Å; F209-M278 HydrophobicContact CG-CB 3.86Å; E210-M278 HydrophobicContact CG-CE 3.95Å; E210-M278 WeakPolarHBondContact OE1-CE 3.37Å; I237-M278 HydrophobicContact CD1-CB 4.16Å; I237-M278 HydrophobicContact CD1-CE 3.65Å; I237-M278 HydrophobicContact CD1-CG 4.21Å; I237-M278 HydrophobicContact CG1-CE 3.4Å; I237-M278 HydrophobicContact CG1-CG 4.29Å; C238-M278 HydrophobicContact CB-CE 4.38Å; C238-M278 HydrophobicContact CB-CG 3.48Å; C238-M278 VanDerWaalsContact CB-CG 3.48Å; C238-M278 HydrophobicContact CB-SD 4.3Å; R274-M278 HydrophobicContact CG-CG 4.24Å; R274-M278 HydrophobicContact CG-SD 3.94Å; R274-M278 PolarHBondContact NH1-SD 2.87Å; R274-M278 WeakPolarHBondContact O-CB 3.47Å; R274-M278 WeakPolarHBondContact O-CG 3.09Å; R274-M278 PolarHBondContact O-N 3.28Å; M278-V280 VanDerWaalsContact C-N 3.31Å; M278-V280 PolarHBondContact O-N 2.96Å; M278-A281 PolarHBondContact O-N 3.26Å; M278-K282 VanDerWaalsContact O-CB 3.27Å; M278-K282 WeakPolarHBondContact O-CB 3.48Å; M278-K282 PolarHBondContact O-N 3.41Å
279	K	98.4	Very high	97.9	Very high	128 Å²	128	44.6 Å²	44.6	56%	0.557	24%	0.235	S	C	*	.	H	α-helix	trans	-56.6	-47	177.1	-175.9	-173.7	173.7	-163.7	0	111.5	F209 N275 R276 V277 G283	F209-K279 HydrophobicContact CE1-CB 3.62Å; F209-K279 HydrophobicContact CE1-CG 3.97Å; F209-K279 HydrophobicContact CZ-CB 3.66Å; F209-K279 HydrophobicContact CZ-CG 4.31Å; N275-K279 WeakPolarHBondContact O-CB 3.2Å; N275-K279 PolarHBondContact O-N 3.16Å; R276-K279 PolarHBondContact O-N 3.37Å; V277-K279 PolarHBondContact O-N 3Å; K279-G283 PolarHBondContact O-N 3.38Å
280	V	98.6	Very high	98	Very high	14 Å²	14	52.7 Å²	52.7	9%	0.085	27%	0.265	C	S	.	.	H	α-helix	trans	-73.7	-46.4	-180	-176.5	0	0	0	0	110.3	R276 V277 M278 K282 G283 F284 L343 E344 L347	R276-V280 PolarHBondContact O-N 2.72Å; V277-V280 PolarHBondContact O-N 2.7Å; M278-V280 VanDerWaalsContact C-N 3.31Å; M278-V280 PolarHBondContact O-N 2.96Å; V280-K282 VanDerWaalsContact C-N 3.32Å; V280-K282 PolarHBondContact O-N 2.82Å; V280-G283 WeakPolarHBondContact O-CA 3.34Å; V280-G283 PolarHBondContact O-N 2.79Å; V280-F284 HydrophobicContact CG1-CD2 4.06Å; V280-F284 HydrophobicContact CG1-CE2 3.81Å; V280-F284 WeakPolarHBondContact O-CD2 3.39Å; V280-F284 PolarHBondContact O-N 3.45Å; V280-L343 HydrophobicContact CB-CD2 3.89Å; V280-L343 HydrophobicContact CB-CG 4.22Å; V280-L343 HydrophobicContact CG1-CD2 4.28Å; V280-L343 HydrophobicContact CG1-CG 4.05Å; V280-L343 HydrophobicContact CG2-CB 4.47Å; V280-L343 HydrophobicContact CG2-CD2 4.1Å; V280-L343 HydrophobicContact CG2-CG 4.43Å; V280-E344 HydrophobicContact CG1-CB 3.93Å; V280-E344 HydrophobicContact CG1-CG 4.47Å; V280-L347 HydrophobicContact CG1-CD1 3.72Å
281	A	98.5	Very high	98	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-52.8	-49	177.9	0	0	0	0	0	111.7	V277 M278 G283 F284 L285 F293	V277-A281 VanDerWaalsContact O-CB 3.29Å; V277-A281 WeakPolarHBondContact O-CB 3.36Å; V277-A281 PolarHBondContact O-N 2.98Å; M278-A281 PolarHBondContact O-N 3.26Å; A281-G283 VanDerWaalsContact C-N 3.27Å; A281-G283 PolarHBondContact O-N 3.31Å; A281-F284 PolarHBondContact O-N 3.12Å; A281-F284 VanDerWaalsContact O-N 3.11Å; A281-L285 WeakPolarHBondContact O-CB 3.35Å; A281-L285 VanDerWaalsContact O-CG 3.29Å; A281-L285 WeakPolarHBondContact O-CG 3.36Å; A281-L285 PolarHBondContact O-N 3.26Å; A281-F293 HydrophobicContact CB-CD1 3.65Å; A281-F293 HydrophobicContact CB-CD2 3.7Å; A281-F293 HydrophobicContact CB-CE1 3.67Å; A281-F293 HydrophobicContact CB-CE2 3.72Å; A281-F293 HydrophobicContact CB-CG 3.68Å; A281-F293 HydrophobicContact CB-CZ 3.71Å
282	K	98	Very high	98.1	Very high	67 Å²	67	55 Å²	55	29%	0.291	28%	0.277	S	S	.	.	H	α-helix	trans	-57.5	-40.9	177.9	-165.4	-172.5	-170.7	-48.1	0	111.9	F209 I237 M278 V280 F284 L285 D286	F209-K282 HydrophobicContact CB-CD 4.26Å; F209-K282 HydrophobicContact CD1-CD 4.34Å; F209-K282 WeakPolarHBondContact O-CE 3.41Å; I237-K282 HydrophobicContact CD1-CB 4.41Å; M278-K282 VanDerWaalsContact O-CB 3.27Å; M278-K282 WeakPolarHBondContact O-CB 3.48Å; M278-K282 PolarHBondContact O-N 3.41Å; V280-K282 VanDerWaalsContact C-N 3.32Å; V280-K282 PolarHBondContact O-N 2.82Å; K282-F284 VanDerWaalsContact C-N 3.31Å; K282-F284 PolarHBondContact O-N 3.2Å; K282-L285 PolarHBondContact O-N 2.96Å; K282-D286 IonicContact NZ-OD1 3.42Å; K282-D286 PolarHBondContact NZ-OD1 2.9Å; K282-D286 IonicContact NZ-OD2 2.79Å; K282-D286 PolarHBondContact NZ-OD2 2.85Å; K282-D286 VanDerWaalsContact O-CB 3.32Å; K282-D286 WeakPolarHBondContact O-CB 3.28Å; K282-D286 PolarHBondContact O-N 2.79Å
283	G	98	Very high	98.1	Very high	32 Å²	32	51 Å²	51	33%	0.33	26%	0.262	S	S	.	.	H	α-helix	trans	-57	-41.2	176.9	0	0	0	0	0	113.2	K279 V280 A281 Q287	K279-G283 PolarHBondContact O-N 3.38Å; V280-G283 WeakPolarHBondContact O-CA 3.34Å; V280-G283 PolarHBondContact O-N 2.79Å; A281-G283 VanDerWaalsContact C-N 3.27Å; A281-G283 PolarHBondContact O-N 3.31Å; G283-Q287 VanDerWaalsContact O-CG 3.32Å; G283-Q287 WeakPolarHBondContact O-CG 3.37Å; G283-Q287 PolarHBondContact O-NE2 3.25Å
284	F	98.4	Very high	98.2	Very high	6 Å²	6	50 Å²	50	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-78.8	-37.9	176.4	-74.1	-83.8	0	0	0	112.9	V280 A281 K282 Q287 K289 E344 L347 Q348 F351	V280-F284 HydrophobicContact CG1-CD2 4.06Å; V280-F284 HydrophobicContact CG1-CE2 3.81Å; V280-F284 WeakPolarHBondContact O-CD2 3.39Å; V280-F284 PolarHBondContact O-N 3.45Å; A281-F284 PolarHBondContact O-N 3.12Å; A281-F284 VanDerWaalsContact O-N 3.11Å; K282-F284 VanDerWaalsContact C-N 3.31Å; K282-F284 PolarHBondContact O-N 3.2Å; F284-Q287 WeakPolarHBondContact O-CB 3.34Å; F284-Q287 PolarHBondContact O-N 2.85Å; F284-K289 HydrophobicContact CB-CB 4.19Å; F284-K289 HydrophobicContact CB-CG 4.29Å; F284-K289 HydrophobicContact CD1-CG 4.17Å; F284-K289 VanDerWaalsContact O-CB 3.28Å; F284-K289 WeakPolarHBondContact O-CB 3.47Å; F284-K289 WeakPolarHBondContact O-CG 3.41Å; F284-K289 PolarHBondContact O-N 3.05Å; F284-K289 VanDerWaalsContact O-N 3.13Å; F284-E344 HydrophobicContact CE2-CG 4.15Å; F284-E344 HydrophobicContact CZ-CG 4.3Å; F284-E344 WeakPolarHBondContact CZ-O 3.39Å; F284-L347 HydrophobicContact CD2-CB 3.96Å; F284-L347 HydrophobicContact CD2-CD1 3.8Å; F284-L347 HydrophobicContact CE1-CB 4.2Å; F284-L347 HydrophobicContact CE2-CB 3.48Å; F284-L347 VanDerWaalsContact CE2-CB 3.48Å; F284-L347 HydrophobicContact CE2-CD1 3.89Å; F284-L347 HydrophobicContact CE2-CG 4.35Å; F284-L347 HydrophobicContact CZ-CB 3.62Å; F284-Q348 HydrophobicContact CE1-CB 4.46Å; F284-Q348 HydrophobicContact CZ-CB 4.21Å; F284-F351 HydrophobicContact CB-CE2 3.93Å; F284-F351 AromaticContact CD1-CD2 3.49Å; F284-F351 HydrophobicContact CD1-CD2 3.49Å; F284-F351 VanDerWaalsContact CD1-CD2 3.49Å; F284-F351 AromaticContact CD1-CE2 3.59Å; F284-F351 HydrophobicContact CD1-CE2 3.59Å; F284-F351 AromaticContact CE1-CD2 3.82Å; F284-F351 HydrophobicContact CE1-CD2 3.82Å; F284-F351 HydrophobicContact CE1-CE2 4.26Å; F284-F351 HydrophobicContact CG-CD2 4.2Å; F284-F351 AromaticContact CG-CE2 3.82Å; F284-F351 HydrophobicContact CG-CE2 3.82Å
285	L	97.6	Very high	98.2	Very high	53 Å²	53	50 Å²	50	28%	0.277	26%	0.258	S	S	.	.	H	α-helix	trans	-64.1	-41.4	177.6	-69	173.8	0	0	0	111.8	I237 A281 K282 Q287 G288 F293	I237-L285 HydrophobicContact CB-CD1 3.96Å; I237-L285 HydrophobicContact CG2-CD1 4.01Å; A281-L285 WeakPolarHBondContact O-CB 3.35Å; A281-L285 VanDerWaalsContact O-CG 3.29Å; A281-L285 WeakPolarHBondContact O-CG 3.36Å; A281-L285 PolarHBondContact O-N 3.26Å; K282-L285 PolarHBondContact O-N 2.96Å; L285-Q287 PolarHBondContact O-N 3.25Å; L285-G288 WeakPolarHBondContact O-CA 3.23Å; L285-G288 PolarHBondContact O-N 3.12Å; L285-F293 HydrophobicContact CD1-CD2 4.34Å; L285-F293 HydrophobicContact CD1-CE2 4.14Å; L285-F293 HydrophobicContact CD2-CE2 4.06Å; L285-F293 HydrophobicContact CG-CE2 4.02Å
286	D	97.3	Very high	98.1	Very high	110 Å²	110	47.8 Å²	47.8	59%	0.588	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.4	175.8	-70.5	-11.3	0	0	0	112	K282 G288	K282-D286 IonicContact NZ-OD1 3.42Å; K282-D286 PolarHBondContact NZ-OD1 2.9Å; K282-D286 IonicContact NZ-OD2 2.79Å; K282-D286 PolarHBondContact NZ-OD2 2.85Å; K282-D286 VanDerWaalsContact O-CB 3.32Å; K282-D286 WeakPolarHBondContact O-CB 3.28Å; K282-D286 PolarHBondContact O-N 2.79Å; D286-G288 VanDerWaalsContact C-N 3.25Å; D286-G288 PolarHBondContact O-N 2.91Å
287	Q	97.4	Very high	98.1	Very high	128 Å²	128	46.1 Å²	46.1	60%	0.598	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	3.4	172.8	-66.1	172	57.4	0	0	113.1	G283 F284 L285 K289	G283-Q287 VanDerWaalsContact O-CG 3.32Å; G283-Q287 WeakPolarHBondContact O-CG 3.37Å; G283-Q287 PolarHBondContact O-NE2 3.25Å; F284-Q287 WeakPolarHBondContact O-CB 3.34Å; F284-Q287 PolarHBondContact O-N 2.85Å; L285-Q287 PolarHBondContact O-N 3.25Å; Q287-K289 VanDerWaalsContact C-N 3.33Å
288	G	97.5	Very high	97.8	Very high	58 Å²	58	46.6 Å²	46.6	60%	0.598	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	11.9	-179.3	0	0	0	0	0	114.7	L285 D286	L285-G288 WeakPolarHBondContact O-CA 3.23Å; L285-G288 PolarHBondContact O-N 3.12Å; D286-G288 VanDerWaalsContact C-N 3.25Å; D286-G288 PolarHBondContact O-N 2.91Å
289	K	97.9	Very high	97.5	Very high	73 Å²	73	51.1 Å²	51.1	32%	0.317	27%	0.268	S	S	.	.			trans	-69.2	145	172.7	-58.5	-66.1	-171.5	171.9	0	109.9	F284 Q287 F351	F284-K289 HydrophobicContact CB-CB 4.19Å; F284-K289 HydrophobicContact CB-CG 4.29Å; F284-K289 HydrophobicContact CD1-CG 4.17Å; F284-K289 VanDerWaalsContact O-CB 3.28Å; F284-K289 WeakPolarHBondContact O-CB 3.47Å; F284-K289 WeakPolarHBondContact O-CG 3.41Å; F284-K289 PolarHBondContact O-N 3.05Å; F284-K289 VanDerWaalsContact O-N 3.13Å; Q287-K289 VanDerWaalsContact C-N 3.33Å; K289-F351 HydrophobicContact CB-CD1 4.25Å; K289-F351 HydrophobicContact CB-CD2 4.33Å; K289-F351 HydrophobicContact CB-CE1 3.83Å; K289-F351 HydrophobicContact CB-CE2 3.92Å; K289-F351 HydrophobicContact CB-CG 4.5Å; K289-F351 HydrophobicContact CB-CZ 3.65Å; K289-F351 HydrophobicContact CD-CB 4.33Å; K289-F351 HydrophobicContact CD-CD1 4.09Å; K289-F351 HydrophobicContact CD-CD2 4.37Å; K289-F351 HydrophobicContact CD-CG 4.02Å; K289-F351 HydrophobicContact CG-CD1 4.44Å; K289-F351 HydrophobicContact CG-CD2 4.17Å; K289-F351 HydrophobicContact CG-CE1 4.48Å; K289-F351 HydrophobicContact CG-CE2 4.21Å; K289-F351 HydrophobicContact CG-CG 4.3Å; K289-F351 HydrophobicContact CG-CZ 4.36Å
290	K	97.1	Very high	97.3	Very high	186 Å²	186	48.5 Å²	48.5	81%	0.809	26%	0.258	S	S	*	.			trans	-111.1	110.1	-177.3	-63.5	-174	179.8	-177.2	0	110.1
291	L	98.1	Very high	97.1	Very high	10 Å²	10	47.8 Å²	47.8	5%	0.052	25%	0.254	C	S	.	.			trans	-160.2	137.2	172.6	-177.1	60.5	0	0	0	107.6	D253 L255 F293 I322 L347 F350 F351	D253-L291 HydrophobicContact CB-CD1 3.93Å; L255-L291 HydrophobicContact CB-CD2 4.07Å; L255-L291 HydrophobicContact CB-CG 4.35Å; L255-L291 HydrophobicContact CD1-CD2 4.38Å; L291-F293 HydrophobicContact CB-CE2 4.07Å; L291-F293 HydrophobicContact CB-CZ 4.07Å; L291-F293 HydrophobicContact CD2-CE1 4Å; L291-F293 HydrophobicContact CD2-CZ 3.89Å; L291-F293 HydrophobicContact CG-CE1 4.44Å; L291-F293 HydrophobicContact CG-CE2 4.34Å; L291-F293 HydrophobicContact CG-CZ 4.1Å; L291-F293 WeakPolarHBondContact O-CD2 3.49Å; L291-F293 WeakPolarHBondContact O-CE2 3.27Å; L291-I322 HydrophobicContact CD1-CG2 4.19Å; L291-I322 HydrophobicContact CD2-CD1 4.12Å; L291-L347 HydrophobicContact CD2-CD2 3.49Å; L291-L347 VanDerWaalsContact CD2-CD2 3.49Å; L291-F350 HydrophobicContact CD1-CE1 4.2Å; L291-F350 HydrophobicContact CD2-CD1 4.33Å; L291-F350 HydrophobicContact CD2-CE1 4.17Å; L291-F351 HydrophobicContact CB-CE1 4.14Å; L291-F351 HydrophobicContact CB-CZ 3.72Å; L291-F351 HydrophobicContact CD2-CZ 3.94Å
292	N	98.4	Very high	96.7	Very high	73 Å²	73	51 Å²	51	39%	0.39	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	149.5	171.5	-56.4	-83.3	0	0	0	108.8	K252 D253 L254 L255	K252-N292 WeakPolarHBondContact CB-ND2 3.5Å; D253-N292 VanDerWaalsContact O-CB 3.3Å; D253-N292 WeakPolarHBondContact O-CB 3.28Å; D253-N292 PolarHBondContact O-N 3.2Å; D253-N292 PolarHBondContact O-ND2 3.43Å; L254-N292 WeakPolarHBondContact CA-O 3.35Å; L254-N292 HydrophobicContact CD1-CB 3.78Å; L255-N292 PolarHBondContact N-O 3.3Å
293	F	98.8	Very high	96.3	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.018	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.1	178.1	-57	-100	0	0	0	109.7	I237 C238 P239 L255 A281 L285 L291 L347	I237-F293 WeakPolarHBondContact O-CB 3.42Å; C238-F293 WeakPolarHBondContact CA-O 3.47Å; C238-F293 HydrophobicContact CB-CB 4.23Å; P239-F293 WeakPolarHBondContact CD-O 3.37Å; L255-F293 HydrophobicContact CB-CD1 3.92Å; L255-F293 HydrophobicContact CB-CE1 4.29Å; L255-F293 HydrophobicContact CD1-CD1 4.18Å; L255-F293 HydrophobicContact CD1-CE1 4.05Å; L255-F293 HydrophobicContact CD2-CD1 4.07Å; L255-F293 HydrophobicContact CG-CD1 4.28Å; L255-F293 CarbonylContact O-C 3.57Å; L255-F293 WeakPolarHBondContact O-CA 3.36Å; A281-F293 HydrophobicContact CB-CD1 3.65Å; A281-F293 HydrophobicContact CB-CD2 3.7Å; A281-F293 HydrophobicContact CB-CE1 3.67Å; A281-F293 HydrophobicContact CB-CE2 3.72Å; A281-F293 HydrophobicContact CB-CG 3.68Å; A281-F293 HydrophobicContact CB-CZ 3.71Å; L285-F293 HydrophobicContact CD1-CD2 4.34Å; L285-F293 HydrophobicContact CD1-CE2 4.14Å; L285-F293 HydrophobicContact CD2-CE2 4.06Å; L285-F293 HydrophobicContact CG-CE2 4.02Å; L291-F293 HydrophobicContact CB-CE2 4.07Å; L291-F293 HydrophobicContact CB-CZ 4.07Å; L291-F293 HydrophobicContact CD2-CE1 4Å; L291-F293 HydrophobicContact CD2-CZ 3.89Å; L291-F293 HydrophobicContact CG-CE1 4.44Å; L291-F293 HydrophobicContact CG-CE2 4.34Å; L291-F293 HydrophobicContact CG-CZ 4.1Å; L291-F293 WeakPolarHBondContact O-CD2 3.49Å; L291-F293 WeakPolarHBondContact O-CE2 3.27Å; F293-L347 HydrophobicContact CE1-CD1 3.92Å; F293-L347 HydrophobicContact CE1-CD2 4.04Å; F293-L347 HydrophobicContact CZ-CD1 4.45Å; F293-L347 HydrophobicContact CZ-CD2 4.42Å
294	A	98.8	Very high	95.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	161.6	169.8	0	0	0	0	0	110.7	P239 L241 L254 L255 V256 A257	P239-A294 HydrophobicContact CG-CB 4.32Å; P239-A294 WeakPolarHBondContact O-CA 3.37Å; L241-A294 HydrophobicContact CB-CB 4.15Å; L254-A294 HydrophobicContact CD1-CB 4.09Å; L255-A294 PolarHBondContact O-N 2.65Å; V256-A294 WeakPolarHBondContact CA-O 3.34Å; V256-A294 HydrophobicContact CG2-CB 4.49Å; A257-A294 PolarHBondContact N-O 3.12Å
295	V	98.6	Very high	95.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	144.3	164.3	-61.6	0	0	0	0	109.3	P239 L241 A257 Y259 V261 R274	P239-V295 PolarHBondContact O-N 3.21Å; L241-V295 PolarHBondContact N-O 3.17Å; A257-V295 HydrophobicContact CB-CG1 4.39Å; A257-V295 WeakPolarHBondContact O-CA 3.42Å; Y259-V295 HydrophobicContact CE1-CB 3.74Å; Y259-V295 HydrophobicContact CE1-CG1 3.72Å; V261-V295 HydrophobicContact CG2-CB 4.15Å; V261-V295 HydrophobicContact CG2-CG2 4.29Å; R274-V295 HydrophobicContact CB-CG1 4.05Å; R274-V295 HydrophobicContact CB-CG2 4.41Å; R274-V295 HydrophobicContact CG-CG1 4.06Å; R274-V295 HydrophobicContact CG-CG2 4.24Å
296	A	97.9	Very high	95.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	149.8	-176.9	0	0	0	0	0	111.5	L241 V256 A257 Y258 Y259 V261 K298 F301	L241-A296 HydrophobicContact CB-CB 3.99Å; L241-A296 HydrophobicContact CD2-CB 4.01Å; L241-A296 HydrophobicContact CG-CB 4.39Å; V256-A296 HydrophobicContact CG1-CB 3.54Å; A257-A296 PolarHBondContact O-N 3.18Å; Y258-A296 WeakPolarHBondContact CA-O 3.39Å; Y258-A296 HydrophobicContact CD1-CB 3.67Å; Y258-A296 HydrophobicContact CE1-CB 3.79Å; Y259-A296 PolarHBondContact N-O 3.23Å; Y259-A296 VanDerWaalsContact N-O 3.16Å; V261-A296 WeakPolarHBondContact CG2-O 3.36Å; A296-K298 PolarHBondContact O-N 2.95Å; A296-F301 HydrophobicContact CB-CD2 3.86Å; A296-F301 HydrophobicContact CB-CE2 4.29Å; A296-F301 HydrophobicContact CB-CG 4.47Å
297	N	96.6	Very high	94.6	Very high	26 Å²	26	50.3 Å²	50.3	14%	0.139	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	120.5	172.7	-174.9	-67.2	0	0	0	110.2	Y259 V261 N299 Q300 F301	Y259-N297 CarbonylContact O-C 3.57Å; Y259-N297 WeakPolarHBondContact O-CA 3.5Å; V261-N297 HydrophobicContact CB-CB 4.32Å; V261-N297 PolarHBondContact O-ND2 3.17Å; N297-N299 VanDerWaalsContact C-N 3.26Å; N297-N299 PolarHBondContact O-N 2.89Å; N297-N299 WeakPolarHBondContact OD1-CA 3.31Å; N297-N299 WeakPolarHBondContact OD1-CB 3.44Å; N297-N299 PolarHBondContact OD1-N 3.41Å; N297-Q300 HydrophobicContact CB-CB 3.9Å; N297-Q300 PolarHBondContact O-N 2.81Å; N297-Q300 PolarHBondContact OD1-N 2.89Å; N297-F301 PolarHBondContact O-N 2.84Å
298	K	94.1	Very high	94.2	Very high	10 Å²	10	44.5 Å²	44.5	4%	0.043	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-31.4	-176.8	72.7	-169.3	-158.8	172.8	0	113.8	Y259 D260 A296 F301 S302 L305 G312 G313 G315	Y259-K298 PolarHBondContact O-N 3.43Å; D260-K298 WeakPolarHBondContact OD1-CE 3.16Å; D260-K298 IonicContact OD1-NZ 3.1Å; D260-K298 WeakPolarHBondContact OD2-CE 3.43Å; D260-K298 IonicContact OD2-NZ 2.81Å; D260-K298 PolarHBondContact OD2-NZ 3.24Å; A296-K298 PolarHBondContact O-N 2.95Å; K298-F301 CarbonylContact O-C 3.49Å; K298-S302 WeakPolarHBondContact O-CA 3.24Å; K298-S302 PolarHBondContact O-N 2.9Å; K298-S302 VanDerWaalsContact O-N 3.15Å; K298-L305 HydrophobicContact CB-CD1 3.95Å; K298-L305 WeakPolarHBondContact O-CD1 3.5Å; K298-G312 WeakPolarHBondContact CD-O 3.5Å; K298-G312 WeakPolarHBondContact CE-O 3.37Å; K298-G312 PolarHBondContact NZ-O 3.11Å; K298-G313 PolarHBondContact NZ-O 2.76Å; K298-G315 PolarHBondContact NZ-O 3.04Å
299	N	91.9	Very high	93.6	Very high	95 Å²	95	44 Å²	44	51%	0.508	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-43.1	-178.9	-56.4	-51.8	0	0	0	110.6	D260 N297 F301 S302	D260-N299 PolarHBondContact OD1-ND2 3.38Å; N297-N299 VanDerWaalsContact C-N 3.26Å; N297-N299 PolarHBondContact O-N 2.89Å; N297-N299 WeakPolarHBondContact OD1-CA 3.31Å; N297-N299 WeakPolarHBondContact OD1-CB 3.44Å; N297-N299 PolarHBondContact OD1-N 3.41Å; N299-F301 VanDerWaalsContact C-N 3.31Å; N299-F301 PolarHBondContact O-N 2.83Å; N299-S302 WeakPolarHBondContact O-CB 3.42Å; N299-S302 PolarHBondContact O-N 3Å; N299-S302 PolarHBondContact O-OG 3.1Å; N299-S302 VanDerWaalsContact O-OG 3.11Å
300	Q	93.3	Very high	93	Very high	73 Å²	73	42.1 Å²	42.1	34%	0.341	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-41.7	174.9	-174.6	174.9	9.5	0	0	111.6	D243 N297	D243-Q300 PolarHBondContact OD2-NE2 3.02Å; N297-Q300 HydrophobicContact CB-CB 3.9Å; N297-Q300 PolarHBondContact O-N 2.81Å; N297-Q300 PolarHBondContact OD1-N 2.89Å
301	F	94.4	Very high	92.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	33.2	-179	-66.9	-83.2	0	0	0	113.3	L241 K246 Y258 A296 N297 K298 N299 H303 D304 L305	L241-F301 HydrophobicContact CD2-CE1 4.28Å; L241-F301 HydrophobicContact CD2-CZ 4.23Å; L241-F301 HydrophobicContact CG-CE1 4.32Å; L241-F301 HydrophobicContact CG-CE2 4.17Å; L241-F301 HydrophobicContact CG-CZ 3.84Å; L241-F301 WeakPolarHBondContact O-CE2 3.01Å; K246-F301 HydrophobicContact CB-CE1 4.46Å; K246-F301 HydrophobicContact CD-CE1 4.31Å; Y258-F301 HydrophobicContact CD1-CB 4.09Å; Y258-F301 HydrophobicContact CE1-CB 3.7Å; Y258-F301 HydrophobicContact CE1-CG 4.41Å; A296-F301 HydrophobicContact CB-CD2 3.86Å; A296-F301 HydrophobicContact CB-CE2 4.29Å; A296-F301 HydrophobicContact CB-CG 4.47Å; N297-F301 PolarHBondContact O-N 2.84Å; K298-F301 CarbonylContact O-C 3.49Å; N299-F301 VanDerWaalsContact C-N 3.31Å; N299-F301 PolarHBondContact O-N 2.83Å; F301-H303 PolarHBondContact O-N 2.98Å; F301-D304 HydrophobicContact CB-CB 4.26Å; F301-D304 WeakPolarHBondContact CD1-OD2 3.35Å; F301-D304 WeakPolarHBondContact O-CB 3.41Å; F301-D304 PolarHBondContact O-N 3.29Å; F301-L305 PolarHBondContact O-N 3.42Å; F301-L305 VanDerWaalsContact O-N 3.15Å
302	S	91.6	Very high	90.5	Very high	68 Å²	68	39.9 Å²	39.9	48%	0.476	23%	0.234	S	C	.	.	H	α-helix	trans	-59.7	-32.2	178.5	50.8	0	0	0	0	113.5	K298 N299 L305 S306	K298-S302 WeakPolarHBondContact O-CA 3.24Å; K298-S302 PolarHBondContact O-N 2.9Å; K298-S302 VanDerWaalsContact O-N 3.15Å; N299-S302 WeakPolarHBondContact O-CB 3.42Å; N299-S302 PolarHBondContact O-N 3Å; N299-S302 PolarHBondContact O-OG 3.1Å; N299-S302 VanDerWaalsContact O-OG 3.11Å; S302-L305 PolarHBondContact O-N 3.12Å; S302-S306 PolarHBondContact O-N 3.34Å
303	H	88.9	Confident	88.9	Confident	97 Å²	97	38.3 Å²	38.3	45%	0.449	24%	0.235	S	C	.	.	H	α-helix	trans	-63.8	-43.3	172.9	67.9	-81.5	0	0	0	112.1	F301 L305 S306 D307	F301-H303 PolarHBondContact O-N 2.98Å; H303-L305 VanDerWaalsContact C-N 3.31Å; H303-L305 PolarHBondContact O-N 3.25Å; H303-S306 PolarHBondContact O-N 2.75Å; H303-S306 PolarHBondContact O-OG 2.98Å; H303-D307 PolarHBondContact O-N 3.2Å
304	D	90.2	Very high	87.2	Confident	12 Å²	12	44.2 Å²	44.2	6%	0.064	28%	0.277	C	S	.	.	H	α-helix	trans	-61.6	-41.4	175.9	-74.2	-19.2	0	0	0	111	K250 Y258 F301 S306 D307 F308	K250-D304 WeakPolarHBondContact CE-OD2 3.19Å; K250-D304 IonicContact NZ-OD1 2.66Å; K250-D304 PolarHBondContact NZ-OD1 3.12Å; K250-D304 IonicContact NZ-OD2 3.06Å; K250-D304 PolarHBondContact NZ-OD2 3.2Å; Y258-D304 HydrophobicContact CE1-CB 4.26Å; F301-D304 HydrophobicContact CB-CB 4.26Å; F301-D304 WeakPolarHBondContact CD1-OD2 3.35Å; F301-D304 WeakPolarHBondContact O-CB 3.41Å; F301-D304 PolarHBondContact O-N 3.29Å; D304-S306 VanDerWaalsContact C-N 3.26Å; D304-S306 PolarHBondContact O-N 3.25Å; D304-D307 WeakPolarHBondContact O-CB 3.46Å; D304-D307 PolarHBondContact O-N 3.23Å; D304-F308 WeakPolarHBondContact O-CD2 3.43Å
305	L	90.4	Very high	85.9	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-59.3	-40	178	-72.2	176.5	0	0	0	111.7	Y258 K298 F301 S302 H303 D307 F308 G309 L310 V319	Y258-L305 HydrophobicContact CD1-CD2 4.06Å; Y258-L305 HydrophobicContact CD1-CG 4.27Å; Y258-L305 HydrophobicContact CD2-CD2 3.53Å; Y258-L305 HydrophobicContact CE2-CD2 4.05Å; Y258-L305 HydrophobicContact CG-CD2 3.53Å; Y258-L305 HydrophobicContact CG-CG 4.21Å; K298-L305 HydrophobicContact CB-CD1 3.95Å; K298-L305 WeakPolarHBondContact O-CD1 3.5Å; F301-L305 PolarHBondContact O-N 3.42Å; F301-L305 VanDerWaalsContact O-N 3.15Å; S302-L305 PolarHBondContact O-N 3.12Å; H303-L305 VanDerWaalsContact C-N 3.31Å; H303-L305 PolarHBondContact O-N 3.25Å; L305-D307 VanDerWaalsContact C-N 3.26Å; L305-D307 PolarHBondContact O-N 3.18Å; L305-F308 CarbonylContact O-C 3.58Å; L305-F308 WeakPolarHBondContact O-CA 3.39Å; L305-F308 WeakPolarHBondContact O-CB 3.42Å; L305-F308 PolarHBondContact O-N 3.03Å; L305-G309 PolarHBondContact O-N 3.42Å; L305-L310 CarbonylContact C-O 3.59Å; L305-L310 VanDerWaalsContact C-O 3.26Å; L305-L310 HydrophobicContact CB-CB 4.12Å; L305-L310 WeakPolarHBondContact CB-O 3.23Å; L305-L310 HydrophobicContact CD2-CB 3.86Å; L305-L310 HydrophobicContact CD2-CD1 3.94Å; L305-L310 PolarHBondContact O-N 2.81Å; L305-V319 HydrophobicContact CD2-CG2 3.69Å
306	S	87.4	Confident	85.2	Confident	70 Å²	70	53 Å²	53	49%	0.49	33%	0.329	S	S	.	.	H	α-helix	trans	-62	-32.7	178.5	77.6	0	0	0	0	113.1	S302 H303 D304 F308 G309	S302-S306 PolarHBondContact O-N 3.34Å; H303-S306 PolarHBondContact O-N 2.75Å; H303-S306 PolarHBondContact O-OG 2.98Å; D304-S306 VanDerWaalsContact C-N 3.26Å; D304-S306 PolarHBondContact O-N 3.25Å; S306-F308 PolarHBondContact O-N 2.82Å; S306-G309 PolarHBondContact O-N 2.63Å
307	D	87.1	Confident	84.9	Confident	73 Å²	73	55 Å²	55	39%	0.39	34%	0.34	S	S	.	.	H	α-helix	trans	-63.9	-26.6	174.3	-75.5	-3.2	0	0	0	112.7	H303 D304 L305 R323 K329 Y358	H303-D307 PolarHBondContact O-N 3.2Å; D304-D307 WeakPolarHBondContact O-CB 3.46Å; D304-D307 PolarHBondContact O-N 3.23Å; L305-D307 VanDerWaalsContact C-N 3.26Å; L305-D307 PolarHBondContact O-N 3.18Å; D307-R323 VanDerWaalsContact CB-NH2 3.3Å; D307-R323 IonicContact OD2-CZ 3.91Å; D307-R323 IonicContact OD2-NH1 3.99Å; D307-R323 IonicContact OD2-NH2 2.65Å; D307-R323 PolarHBondContact OD2-NH2 3.42Å; D307-K329 VanDerWaalsContact O-CD 3.31Å; D307-K329 WeakPolarHBondContact O-CD 3.32Å; D307-K329 WeakPolarHBondContact O-CE 3.43Å; D307-K329 PolarHBondContact O-NZ 2.7Å; D307-Y358 VanDerWaalsContact O-CE1 3.24Å; D307-Y358 WeakPolarHBondContact O-CE1 3.35Å
308	F	88.9	Confident	84.8	Confident	5 Å²	5	53.9 Å²	53.9	2%	0.022	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	4.1	177.2	-63.4	-66.8	0	0	0	113	Y258 D304 L305 S306 L310 A321 R323 K329 V331 Y358	Y258-F308 HydrophobicContact CE2-CE2 4.48Å; D304-F308 WeakPolarHBondContact O-CD2 3.43Å; L305-F308 CarbonylContact O-C 3.58Å; L305-F308 WeakPolarHBondContact O-CA 3.39Å; L305-F308 WeakPolarHBondContact O-CB 3.42Å; L305-F308 PolarHBondContact O-N 3.03Å; S306-F308 PolarHBondContact O-N 2.82Å; F308-L310 HydrophobicContact CB-CB 4.49Å; F308-L310 HydrophobicContact CB-CD1 3.89Å; F308-L310 HydrophobicContact CB-CG 3.95Å; F308-L310 PolarHBondContact O-N 3.06Å; F308-A321 HydrophobicContact CB-CB 4.3Å; F308-A321 HydrophobicContact CD1-CB 3.64Å; F308-A321 HydrophobicContact CD2-CB 3.73Å; F308-A321 HydrophobicContact CE1-CB 3.74Å; F308-A321 HydrophobicContact CE2-CB 3.84Å; F308-A321 HydrophobicContact CG-CB 3.63Å; F308-A321 HydrophobicContact CZ-CB 3.82Å; F308-R323 HydrophobicContact CE1-CB 4.45Å; F308-R323 HydrophobicContact CZ-CB 4.04Å; F308-K329 HydrophobicContact CD1-CB 3.91Å; F308-K329 HydrophobicContact CD1-CD 4.17Å; F308-K329 HydrophobicContact CD1-CG 4.11Å; F308-K329 HydrophobicContact CE1-CB 3.81Å; F308-K329 HydrophobicContact CE1-CD 4.24Å; F308-K329 HydrophobicContact CE1-CG 3.81Å; F308-V331 HydrophobicContact CB-CG2 3.78Å; F308-V331 HydrophobicContact CD1-CG2 3.93Å; F308-V331 HydrophobicContact CG-CG2 4.26Å; F308-Y358 WeakPolarHBondContact O-CE1 3.39Å; F308-Y358 WeakPolarHBondContact O-CE2 3.48Å
309	G	85.6	Confident	84.9	Confident	47 Å²	47	55.6 Å²	55.6	49%	0.485	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	17.8	-174	0	0	0	0	0	113.9	L305 S306 Y358	L305-G309 PolarHBondContact O-N 3.42Å; S306-G309 PolarHBondContact O-N 2.63Å; G309-Y358 WeakPolarHBondContact CA-OH 3.49Å; G309-Y358 PolarHBondContact N-OH 3.24Å
310	L	85.3	Confident	85.2	Confident	35 Å²	35	51.1 Å²	51.1	18%	0.183	32%	0.321	C	S	.	.			trans	-92	141.5	176.1	-63.8	173.2	0	0	0	108.1	L305 F308 V319 A321 V331	L305-L310 CarbonylContact C-O 3.59Å; L305-L310 VanDerWaalsContact C-O 3.26Å; L305-L310 HydrophobicContact CB-CB 4.12Å; L305-L310 WeakPolarHBondContact CB-O 3.23Å; L305-L310 HydrophobicContact CD2-CB 3.86Å; L305-L310 HydrophobicContact CD2-CD1 3.94Å; L305-L310 PolarHBondContact O-N 2.81Å; F308-L310 HydrophobicContact CB-CB 4.49Å; F308-L310 HydrophobicContact CB-CD1 3.89Å; F308-L310 HydrophobicContact CB-CG 3.95Å; F308-L310 PolarHBondContact O-N 3.06Å; L310-V319 HydrophobicContact CD1-CB 4.07Å; L310-V319 HydrophobicContact CD1-CG2 3.98Å; L310-V319 HydrophobicContact CD2-CB 4.45Å; L310-A321 HydrophobicContact CD1-CB 4.27Å; L310-V331 HydrophobicContact CD1-CG1 4.13Å; L310-V331 HydrophobicContact CD2-CG1 3.72Å; L310-V331 HydrophobicContact CG-CG1 4.07Å
311	D	77.5	Confident	85.4	Confident	123 Å²	123	47.7 Å²	47.7	66%	0.658	31%	0.306	S	S	*	.			trans	-96.8	157.8	162.1	65.6	49	0	0	0	109.7	G313	D311-G313 PolarHBondContact O-N 2.76Å; D311-G313 VanDerWaalsContact OD1-CA 3.23Å; D311-G313 WeakPolarHBondContact OD1-CA 3.47Å; D311-G313 PolarHBondContact OD1-N 3.19Å
312	G	64.4	Low	85.6	Confident	25 Å²	25	47.7 Å²	47.7	26%	0.258	31%	0.306	S	S	.	.			trans	-64.2	-16.8	175.6	0	0	0	0	0	112.9	K298	K298-G312 WeakPolarHBondContact CD-O 3.5Å; K298-G312 WeakPolarHBondContact CE-O 3.37Å; K298-G312 PolarHBondContact NZ-O 3.11Å
313	G	65	Low	85.9	Confident	40 Å²	40	48.3 Å²	48.3	41%	0.412	30%	0.297	S	S	.	.			trans	51.2	166.3	-174.5	0	0	0	0	0	115	K298 D311 G315	K298-G313 PolarHBondContact NZ-O 2.76Å; D311-G313 PolarHBondContact O-N 2.76Å; D311-G313 VanDerWaalsContact OD1-CA 3.23Å; D311-G313 WeakPolarHBondContact OD1-CA 3.47Å; D311-G313 PolarHBondContact OD1-N 3.19Å; G313-G315 VanDerWaalsContact C-N 3.3Å
314	S	63.1	Low	86.2	Confident	129 Å²	129	44.4 Å²	44.4	90%	0.902	28%	0.281	S	S	*	.	S	Bend	trans	-88.6	-2.8	160.5	56.5	0	0	0	0	112.4
315	G	72	Confident	86.5	Confident	42 Å²	42	47 Å²	47	43%	0.433	30%	0.303	S	S	.	.			trans	-70.7	147.7	-178	0	0	0	0	0	113.4	K298 G313 L317	K298-G315 PolarHBondContact NZ-O 3.04Å; G313-G315 VanDerWaalsContact C-N 3.3Å; G315-L317 VanDerWaalsContact C-N 3.32Å
316	E	82.8	Confident	86.6	Confident	141 Å²	141	55.7 Å²	55.7	66%	0.659	34%	0.341	S	S	*	.	S	Bend	trans	-80.6	-13.6	177	-64.3	-173.4	158.9	0	0	113.4	W273	W273-E316 PolarHBondContact NE1-O 3.21Å
317	L	92	Very high	86.7	Confident	43 Å²	43	54 Å²	54	23%	0.225	34%	0.335	C	S	.	.	S	Bend	trans	-79.8	139.8	-173.3	-62.6	179.2	0	0	0	111.1	W273 G315 E335	W273-L317 HydrophobicContact CH2-CD2 3.4Å; W273-L317 HydrophobicContact CZ2-CD2 3.71Å; W273-L317 HydrophobicContact CZ3-CD2 4.37Å; G315-L317 VanDerWaalsContact C-N 3.32Å; L317-E335 VanDerWaalsContact CD1-CD 3.45Å; L317-E335 HydrophobicContact CD1-CG 3.53Å; L317-E335 WeakPolarHBondContact CD1-OE1 3.14Å
318	P	95.8	Very high	87	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.019	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-63.5	138.8	174.8	-21.4	32.4	0	0	0	112.6	A257 Y258 Y259 W273 F336	A257-P318 HydrophobicContact CB-CB 4.44Å; Y258-P318 VanDerWaalsContact O-CA 3.3Å; Y258-P318 WeakPolarHBondContact O-CA 3.31Å; Y259-P318 HydrophobicContact CD1-CB 3.96Å; Y259-P318 HydrophobicContact CD1-CG 3.93Å; Y259-P318 HydrophobicContact CG-CB 4.4Å; Y259-P318 HydrophobicContact CG-CG 4.13Å; W273-P318 HydrophobicContact CB-CG 3.96Å; W273-P318 HydrophobicContact CD2-CG 3.64Å; W273-P318 HydrophobicContact CE3-CG 3.76Å; W273-P318 HydrophobicContact CG-CG 3.73Å; W273-P318 HydrophobicContact CZ3-CG 4.47Å; P318-F336 HydrophobicContact CB-CD2 3.96Å; P318-F336 HydrophobicContact CB-CE2 4.39Å; P318-F336 HydrophobicContact CB-CG 4.2Å; P318-F336 HydrophobicContact CG-CD1 4.35Å; P318-F336 HydrophobicContact CG-CD2 4.3Å; P318-F336 HydrophobicContact CG-CG 4.21Å; P318-F336 VanDerWaalsContact O-CB 3.26Å; P318-F336 WeakPolarHBondContact O-CB 3.22Å
319	V	95.7	Very high	87.2	Confident	45 Å²	45	53 Å²	53	27%	0.273	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	140.4	163	-62.1	0	0	0	0	108.8	A257 Y258 L305 L310	A257-V319 WeakPolarHBondContact CA-O 3.18Å; Y258-V319 PolarHBondContact N-O 3.46Å; Y258-V319 PolarHBondContact O-N 2.88Å; L305-V319 HydrophobicContact CD2-CG2 3.69Å; L310-V319 HydrophobicContact CD1-CB 4.07Å; L310-V319 HydrophobicContact CD1-CG2 3.98Å; L310-V319 HydrophobicContact CD2-CB 4.45Å
320	V	97.7	Very high	87.7	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.7	-170.4	178.8	0	0	0	0	110.2	L255 A257 M332 F336 L343 F346	L255-V320 HydrophobicContact CD1-CG1 3.8Å; L255-V320 HydrophobicContact CD2-CG1 3.65Å; L255-V320 HydrophobicContact CG-CG1 3.72Å; A257-V320 HydrophobicContact CB-CG2 4.09Å; V320-M332 HydrophobicContact CB-CB 3.92Å; V320-M332 HydrophobicContact CB-CE 4.15Å; V320-M332 HydrophobicContact CB-SD 4.14Å; V320-M332 HydrophobicContact CG1-CB 4.46Å; V320-M332 HydrophobicContact CG2-CE 3.96Å; V320-M332 HydrophobicContact CG2-SD 4.33Å; V320-M332 WeakPolarHBondContact O-CB 3.37Å; V320-M332 PolarHBondContact O-N 3.29Å; V320-F336 HydrophobicContact CG2-CD2 3.79Å; V320-F336 HydrophobicContact CG2-CE2 4.08Å; V320-L343 HydrophobicContact CG1-CD1 3.96Å; V320-L343 HydrophobicContact CG2-CD1 4.39Å; V320-F346 HydrophobicContact CG1-CD1 4.24Å; V320-F346 HydrophobicContact CG1-CE1 3.92Å
321	A	97.5	Very high	88.2	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	151.4	174.4	0	0	0	0	0	111.3	L255 V256 F308 L310 Y330 V331	L255-A321 CarbonylContact C-O 3.48Å; L255-A321 WeakPolarHBondContact CA-O 3.31Å; V256-A321 PolarHBondContact N-O 3.35Å; V256-A321 PolarHBondContact O-N 3.28Å; V256-A321 VanDerWaalsContact O-N 3.1Å; F308-A321 HydrophobicContact CB-CB 4.3Å; F308-A321 HydrophobicContact CD1-CB 3.64Å; F308-A321 HydrophobicContact CD2-CB 3.73Å; F308-A321 HydrophobicContact CE1-CB 3.74Å; F308-A321 HydrophobicContact CE2-CB 3.84Å; F308-A321 HydrophobicContact CG-CB 3.63Å; F308-A321 HydrophobicContact CZ-CB 3.82Å; L310-A321 HydrophobicContact CD1-CB 4.27Å; A321-Y330 CarbonylContact C-O 3.59Å; A321-Y330 VanDerWaalsContact CA-O 3.28Å; A321-Y330 WeakPolarHBondContact CA-O 3.43Å; A321-V331 HydrophobicContact CB-CG2 4.43Å
322	I	98.5	Very high	89.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.4	172.2	-60.8	169	0	0	0	108.3	L254 L255 L291 K329 Y330 F346 L347 F350	L254-I322 WeakPolarHBondContact O-CA 3.45Å; L255-I322 HydrophobicContact CB-CG1 3.85Å; L255-I322 HydrophobicContact CD1-CD1 4.13Å; L255-I322 HydrophobicContact CD1-CG1 3.92Å; L255-I322 HydrophobicContact CG-CG1 3.9Å; L291-I322 HydrophobicContact CD1-CG2 4.19Å; L291-I322 HydrophobicContact CD2-CD1 4.12Å; I322-K329 CarbonylContact O-C 3.58Å; I322-K329 WeakPolarHBondContact O-CA 3.24Å; I322-Y330 HydrophobicContact CB-CD2 4.49Å; I322-Y330 HydrophobicContact CG2-CD2 4.48Å; I322-Y330 PolarHBondContact N-O 3.04Å; I322-Y330 PolarHBondContact O-N 2.82Å; I322-F346 HydrophobicContact CD1-CD1 4.47Å; I322-F346 HydrophobicContact CD1-CE1 3.52Å; I322-F346 HydrophobicContact CD1-CZ 3.79Å; I322-F346 HydrophobicContact CG1-CE1 3.81Å; I322-F346 HydrophobicContact CG1-CZ 4.03Å; I322-L347 HydrophobicContact CD1-CD2 4.39Å; I322-F350 HydrophobicContact CB-CE2 4.49Å; I322-F350 HydrophobicContact CD1-CB 4.13Å; I322-F350 HydrophobicContact CD1-CD1 3.91Å; I322-F350 HydrophobicContact CD1-CD2 3.62Å; I322-F350 HydrophobicContact CD1-CE1 4.22Å; I322-F350 HydrophobicContact CD1-CE2 3.95Å; I322-F350 HydrophobicContact CD1-CG 3.59Å; I322-F350 HydrophobicContact CD1-CZ 4.24Å; I322-F350 HydrophobicContact CG2-CE2 3.85Å; I322-F350 HydrophobicContact CG2-CZ 3.91Å
323	R	97.3	Very high	90.3	Very high	81 Å²	81	52 Å²	52	31%	0.306	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.4	161.5	-169.1	175.3	-63.8	-107.6	10.7	108.6	L254 D307 F308 D328	L254-R323 PolarHBondContact N-O 3.07Å; L254-R323 PolarHBondContact O-N 3.07Å; D307-R323 VanDerWaalsContact CB-NH2 3.3Å; D307-R323 IonicContact OD2-CZ 3.91Å; D307-R323 IonicContact OD2-NH1 3.99Å; D307-R323 IonicContact OD2-NH2 2.65Å; D307-R323 PolarHBondContact OD2-NH2 3.42Å; F308-R323 HydrophobicContact CE1-CB 4.45Å; F308-R323 HydrophobicContact CZ-CB 4.04Å; R323-D328 CarbonylContact C-O 3.44Å; R323-D328 WeakPolarHBondContact CA-O 3.24Å
324	T	97.1	Very high	91.6	Very high	16 Å²	16	54 Å²	54	10%	0.098	31%	0.314	C	S	.	.			trans	-79.9	162.5	173.5	67.6	0	0	0	0	110.7	D253 K326 G327 D328 Y330 F350	D253-T324 WeakPolarHBondContact OD1-CA 3.37Å; D253-T324 VanDerWaalsContact OD1-CB 3.3Å; D253-T324 WeakPolarHBondContact OD1-CB 3.01Å; T324-K326 PolarHBondContact O-N 3.47Å; T324-K326 VanDerWaalsContact O-N 3.14Å; T324-K326 PolarHBondContact OG1-N 2.93Å; T324-G327 PolarHBondContact O-N 3.45Å; T324-G327 PolarHBondContact OG1-N 3.35Å; T324-D328 HydrophobicContact CG2-CB 4.02Å; T324-D328 PolarHBondContact N-O 2.79Å; T324-D328 VanDerWaalsContact OG1-CB 3.27Å; T324-D328 WeakPolarHBondContact OG1-CB 3.36Å; T324-D328 PolarHBondContact OG1-N 2.85Å; T324-D328 PolarHBondContact OG1-O 2.84Å; T324-Y330 HydrophobicContact CG2-CD2 4.37Å; T324-Y330 HydrophobicContact CG2-CE2 3.84Å; T324-F350 HydrophobicContact CG2-CE2 4.39Å; T324-F350 HydrophobicContact CG2-CZ 4.38Å
325	A	94.9	Very high	93.1	Very high	65 Å²	65	54.7 Å²	54.7	54%	0.537	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.3	171	0	0	0	0	0	112.6	D253 G327	D253-A325 PolarHBondContact OD1-N 2.95Å; A325-G327 VanDerWaalsContact C-N 3.27Å
326	K	92.7	Very high	94.2	Very high	185 Å²	185	53 Å²	53	80%	0.804	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-7.7	174.9	-63.4	-177.2	-179	177.7	0	113.7	T324	T324-K326 PolarHBondContact O-N 3.47Å; T324-K326 VanDerWaalsContact O-N 3.14Å; T324-K326 PolarHBondContact OG1-N 2.93Å
327	G	90.3	Very high	94.8	Very high	35 Å²	35	47.4 Å²	47.4	36%	0.361	26%	0.26	S	S	.	.			trans	87.9	1.4	-174.9	0	0	0	0	0	114.4	T324 A325 K329	T324-G327 PolarHBondContact O-N 3.45Å; T324-G327 PolarHBondContact OG1-N 3.35Å; A325-G327 VanDerWaalsContact C-N 3.27Å; G327-K329 PolarHBondContact O-N 3.12Å
328	D	92.3	Very high	95	Very high	27 Å²	27	52.3 Å²	52.3	14%	0.144	28%	0.275	C	S	.	.			trans	-63.5	132.4	173.6	-57.8	-14.9	0	0	0	109.8	R323 T324 Y330 R357	R323-D328 CarbonylContact C-O 3.44Å; R323-D328 WeakPolarHBondContact CA-O 3.24Å; T324-D328 HydrophobicContact CG2-CB 4.02Å; T324-D328 PolarHBondContact N-O 2.79Å; T324-D328 VanDerWaalsContact OG1-CB 3.27Å; T324-D328 WeakPolarHBondContact OG1-CB 3.36Å; T324-D328 PolarHBondContact OG1-N 2.85Å; T324-D328 PolarHBondContact OG1-O 2.84Å; D328-Y330 HydrophobicContact CB-CE2 3.7Å; D328-R357 HydrophobicContact CB-CG 4.19Å; D328-R357 VanDerWaalsContact CG-CZ 3.43Å; D328-R357 IonicContact OD1-CZ 3.18Å; D328-R357 IonicContact OD1-NE 3.96Å; D328-R357 PolarHBondContact OD1-NE 2.94Å; D328-R357 IonicContact OD1-NH1 2.77Å; D328-R357 PolarHBondContact OD1-NH1 2.58Å; D328-R357 IonicContact OD1-NH2 3.7Å; D328-R357 PolarHBondContact OD1-NH2 3.39Å; D328-R357 IonicContact OD2-NH1 2.7Å
329	K	94.4	Very high	95	Very high	28 Å²	28	56 Å²	56	12%	0.122	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	137	-179.1	-62.1	179.7	-67.6	-179.1	0	109.2	D307 F308 I322 G327 R357 Y358 D434	D307-K329 VanDerWaalsContact O-CD 3.31Å; D307-K329 WeakPolarHBondContact O-CD 3.32Å; D307-K329 WeakPolarHBondContact O-CE 3.43Å; D307-K329 PolarHBondContact O-NZ 2.7Å; F308-K329 HydrophobicContact CD1-CB 3.91Å; F308-K329 HydrophobicContact CD1-CD 4.17Å; F308-K329 HydrophobicContact CD1-CG 4.11Å; F308-K329 HydrophobicContact CE1-CB 3.81Å; F308-K329 HydrophobicContact CE1-CD 4.24Å; F308-K329 HydrophobicContact CE1-CG 3.81Å; I322-K329 CarbonylContact O-C 3.58Å; I322-K329 WeakPolarHBondContact O-CA 3.24Å; G327-K329 PolarHBondContact O-N 3.12Å; K329-R357 CarbonylContact O-C 3.43Å; K329-R357 VanDerWaalsContact O-CA 3.3Å; K329-R357 WeakPolarHBondContact O-CA 3.02Å; K329-Y358 HydrophobicContact CB-CD1 4.31Å; K329-Y358 HydrophobicContact CD-CD1 4.33Å; K329-Y358 PolarHBondContact O-N 2.97Å; K329-D434 IonicContact NZ-OD2 3.37Å; K329-D434 PolarHBondContact NZ-OD2 2.88Å
330	Y	96.1	Very high	95	Very high	33 Å²	33	54 Å²	54	13%	0.129	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.1	171.5	-57.5	-91.8	0	0	0	109	A321 I322 T324 D328 F350 L355 K356 R357	A321-Y330 CarbonylContact C-O 3.59Å; A321-Y330 VanDerWaalsContact CA-O 3.28Å; A321-Y330 WeakPolarHBondContact CA-O 3.43Å; I322-Y330 HydrophobicContact CB-CD2 4.49Å; I322-Y330 HydrophobicContact CG2-CD2 4.48Å; I322-Y330 PolarHBondContact N-O 3.04Å; I322-Y330 PolarHBondContact O-N 2.82Å; T324-Y330 HydrophobicContact CG2-CD2 4.37Å; T324-Y330 HydrophobicContact CG2-CE2 3.84Å; D328-Y330 HydrophobicContact CB-CE2 3.7Å; Y330-F350 HydrophobicContact CD2-CD2 4.02Å; Y330-F350 AromaticContact CD2-CE2 3.65Å; Y330-F350 HydrophobicContact CD2-CE2 3.65Å; Y330-F350 HydrophobicContact CE2-CD2 4.33Å; Y330-F350 AromaticContact CE2-CE2 3.76Å; Y330-F350 HydrophobicContact CE2-CE2 3.76Å; Y330-F350 HydrophobicContact CG-CD2 4.13Å; Y330-F350 HydrophobicContact CG-CE2 4.24Å; Y330-L355 HydrophobicContact CD1-CB 3.64Å; Y330-L355 HydrophobicContact CD1-CD1 4.28Å; Y330-L355 HydrophobicContact CE1-CB 4.09Å; Y330-K356 WeakPolarHBondContact CD1-O 3.21Å; Y330-R357 HydrophobicContact CE1-CB 4.4Å; Y330-R357 HydrophobicContact CE1-CG 3.68Å; Y330-R357 HydrophobicContact CE2-CG 4.37Å; Y330-R357 WeakPolarHBondContact OH-CG 3.23Å
331	V	95.5	Very high	95	Very high	34 Å²	34	59.1 Å²	59.1	21%	0.206	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.7	-173.8	178.5	0	0	0	0	109	F308 L310 A321 S333 Y358	F308-V331 HydrophobicContact CB-CG2 3.78Å; F308-V331 HydrophobicContact CD1-CG2 3.93Å; F308-V331 HydrophobicContact CG-CG2 4.26Å; L310-V331 HydrophobicContact CD1-CG1 4.13Å; L310-V331 HydrophobicContact CD2-CG1 3.72Å; L310-V331 HydrophobicContact CG-CG1 4.07Å; A321-V331 HydrophobicContact CB-CG2 4.43Å; V331-S333 PolarHBondContact O-N 2.86Å; V331-Y358 HydrophobicContact CB-CD2 4.47Å; V331-Y358 HydrophobicContact CG2-CD1 4.33Å; V331-Y358 HydrophobicContact CG2-CD2 3.94Å; V331-Y358 HydrophobicContact CG2-CG 3.7Å
332	M	95.7	Very high	95.1	Very high	16 Å²	16	59.1 Å²	59.1	8%	0.079	31%	0.305	C	S	.	.			trans	-75.9	108	174.9	-171.2	174.9	86.2	0	0	109	V320 E334 F336 L343 F346	V320-M332 HydrophobicContact CB-CB 3.92Å; V320-M332 HydrophobicContact CB-CE 4.15Å; V320-M332 HydrophobicContact CB-SD 4.14Å; V320-M332 HydrophobicContact CG1-CB 4.46Å; V320-M332 HydrophobicContact CG2-CE 3.96Å; V320-M332 HydrophobicContact CG2-SD 4.33Å; V320-M332 WeakPolarHBondContact O-CB 3.37Å; V320-M332 PolarHBondContact O-N 3.29Å; M332-E334 VanDerWaalsContact CE-O 3.23Å; M332-E334 WeakPolarHBondContact CE-O 3.35Å; M332-F336 HydrophobicContact CE-CB 3.96Å; M332-F336 HydrophobicContact CE-CD2 3.9Å; M332-F336 HydrophobicContact CE-CG 4.34Å; M332-L343 HydrophobicContact SD-CB 4.4Å; M332-L343 HydrophobicContact SD-CD1 4.36Å; M332-F346 HydrophobicContact CB-CB 4.41Å; M332-F346 HydrophobicContact CB-CD1 4.04Å; M332-F346 HydrophobicContact CB-CD2 3.75Å; M332-F346 HydrophobicContact CB-CE1 4.22Å; M332-F346 HydrophobicContact CB-CE2 3.93Å; M332-F346 HydrophobicContact CB-CG 3.8Å; M332-F346 HydrophobicContact CB-CZ 4.17Å; M332-F346 HydrophobicContact CG-CB 3.77Å; M332-F346 HydrophobicContact CG-CD1 4.26Å; M332-F346 HydrophobicContact CG-CD2 3.93Å; M332-F346 HydrophobicContact CG-CG 3.72Å; M332-F346 HydrophobicContact SD-CB 3.85Å; M332-F346 HydrophobicContact SD-CD1 4.28Å; M332-F346 HydrophobicContact SD-CG 4.11Å
333	S	89	Confident	95.1	Very high	126 Å²	126	59.1 Å²	59.1	88%	0.881	31%	0.305	S	S	*	.			trans	-78.2	-28.3	179.7	56.6	0	0	0	0	113.3	V331	V331-S333 PolarHBondContact O-N 2.86Å
334	E	92.8	Very high	95.1	Very high	84 Å²	84	60.2 Å²	60.2	39%	0.393	31%	0.314	S	S	.	.	S	Bend	trans	-71.9	139.3	174.9	-164	-175.5	156	0	0	110.1	M332 A342 R345	M332-E334 VanDerWaalsContact CE-O 3.23Å; M332-E334 WeakPolarHBondContact CE-O 3.35Å; E334-A342 HydrophobicContact CB-CB 4.37Å; E334-A342 HydrophobicContact CG-CB 4.04Å; E334-R345 VanDerWaalsContact CD-NH2 3.3Å; E334-R345 IonicContact OE1-CZ 3.39Å; E334-R345 IonicContact OE1-NE 2.77Å; E334-R345 IonicContact OE1-NH2 3.51Å; E334-R345 PolarHBondContact OE1-NH2 3.25Å; E334-R345 IonicContact OE2-CZ 3.32Å; E334-R345 IonicContact OE2-NE 2.71Å; E334-R345 PolarHBondContact OE2-NE 2.76Å; E334-R345 IonicContact OE2-NH2 3.28Å; E334-R345 PolarHBondContact OE2-NH2 3.1Å; E334-R345 VanDerWaalsContact OE2-NH2 3.15Å
335	E	94.2	Very high	95.2	Very high	143 Å²	143	64.7 Å²	64.7	67%	0.668	33%	0.329	S	S	*	.			trans	-61.7	141.7	175.3	-172.7	-178.8	134.3	0	0	111.2	L317 S337 A342	L317-E335 VanDerWaalsContact CD1-CD 3.45Å; L317-E335 HydrophobicContact CD1-CG 3.53Å; L317-E335 WeakPolarHBondContact CD1-OE1 3.14Å; E335-S337 PolarHBondContact O-N 3.06Å; E335-A342 WeakPolarHBondContact O-CB 3.32Å
336	F	95.8	Very high	95.4	Very high	5 Å²	5	62.1 Å²	62.1	2%	0.022	31%	0.305	C	S	.	.			trans	-63.8	110.2	-178.3	-166.7	-75.3	0	0	0	111.9	W273 R276 V277 P318 V320 M332 L343	W273-F336 HydrophobicContact CE3-CD1 4.06Å; W273-F336 AromaticContact CE3-CE1 3.86Å; W273-F336 HydrophobicContact CE3-CE1 3.86Å; W273-F336 AromaticContact CZ3-CD1 3.74Å; W273-F336 HydrophobicContact CZ3-CD1 3.74Å; W273-F336 AromaticContact CZ3-CE1 3.85Å; W273-F336 HydrophobicContact CZ3-CE1 3.85Å; R276-F336 HydrophobicContact CB-CE1 4.22Å; R276-F336 HydrophobicContact CB-CZ 4.16Å; V277-F336 HydrophobicContact CG2-CE2 4.2Å; V277-F336 HydrophobicContact CG2-CZ 4.22Å; P318-F336 HydrophobicContact CB-CD2 3.96Å; P318-F336 HydrophobicContact CB-CE2 4.39Å; P318-F336 HydrophobicContact CB-CG 4.2Å; P318-F336 HydrophobicContact CG-CD1 4.35Å; P318-F336 HydrophobicContact CG-CD2 4.3Å; P318-F336 HydrophobicContact CG-CG 4.21Å; P318-F336 VanDerWaalsContact O-CB 3.26Å; P318-F336 WeakPolarHBondContact O-CB 3.22Å; V320-F336 HydrophobicContact CG2-CD2 3.79Å; V320-F336 HydrophobicContact CG2-CE2 4.08Å; M332-F336 HydrophobicContact CE-CB 3.96Å; M332-F336 HydrophobicContact CE-CD2 3.9Å; M332-F336 HydrophobicContact CE-CG 4.34Å; F336-L343 HydrophobicContact CE2-CB 4.19Å; F336-L343 HydrophobicContact CE2-CD2 4.01Å; F336-L343 HydrophobicContact CZ-CD2 4.32Å
337	S	96.1	Very high	95.7	Very high	24 Å²	24	53.3 Å²	53.3	17%	0.168	27%	0.267	C	S	.	.			trans	-76.3	133.8	175.9	62.9	0	0	0	0	112.1	E335 D339 G340 K341 A342	E335-S337 PolarHBondContact O-N 3.06Å; S337-D339 VanDerWaalsContact CB-OD1 3.25Å; S337-D339 WeakPolarHBondContact CB-OD1 3.46Å; S337-D339 PolarHBondContact O-N 3.26Å; S337-D339 VanDerWaalsContact O-N 3.13Å; S337-D339 PolarHBondContact OG-OD1 2.81Å; S337-G340 PolarHBondContact O-N 2.68Å; S337-K341 PolarHBondContact OG-N 3.44Å; S337-K341 VanDerWaalsContact OG-N 3.08Å; S337-A342 VanDerWaalsContact OG-CB 3.31Å; S337-A342 WeakPolarHBondContact OG-CB 2.88Å; S337-A342 PolarHBondContact OG-N 3.03Å
338	R	95.8	Very high	96.1	Very high	147 Å²	147	55 Å²	55	56%	0.555	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.4	177.6	-68.9	179.8	179.5	95.6	-0.1	114.6	Y272 W273 R276	Y272-R338 WeakPolarHBondContact OH-CD 3.46Å; W273-R338 HydrophobicContact CH2-CG 3.81Å; W273-R338 HydrophobicContact CZ3-CG 4.05Å; R276-R338 WeakPolarHBondContact CD-O 3.46Å; R276-R338 PolarHBondContact NE-O 3.24Å
339	D	95.6	Very high	96.3	Very high	80 Å²	80	56.4 Å²	56.4	43%	0.428	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-10.4	175.5	66.2	-1.2	0	0	0	113.2	S337 K341	S337-D339 VanDerWaalsContact CB-OD1 3.25Å; S337-D339 WeakPolarHBondContact CB-OD1 3.46Å; S337-D339 PolarHBondContact O-N 3.26Å; S337-D339 VanDerWaalsContact O-N 3.13Å; S337-D339 PolarHBondContact OG-OD1 2.81Å; D339-K341 WeakPolarHBondContact OD1-CB 2.99Å; D339-K341 PolarHBondContact OD1-N 2.92Å; D339-K341 WeakPolarHBondContact OD2-CD 3.41Å; D339-K341 WeakPolarHBondContact OD2-CE 3.28Å; D339-K341 WeakPolarHBondContact OD2-CG 3.42Å; D339-K341 IonicContact OD2-NZ 3.33Å; D339-K341 PolarHBondContact OD2-NZ 3.11Å
340	G	96.3	Very high	96.5	Very high	2 Å²	2	56.7 Å²	56.7	2%	0.021	27%	0.274	C	S	.	.	S	Bend	trans	87.9	-2.5	-179.8	0	0	0	0	0	114.9	S337 A342 L343 E344	S337-G340 PolarHBondContact O-N 2.68Å; G340-A342 PolarHBondContact O-N 2.99Å; G340-L343 PolarHBondContact O-N 2.64Å; G340-E344 WeakPolarHBondContact O-CB 3.25Å; G340-E344 PolarHBondContact O-N 3.04Å
341	K	98	Very high	96.6	Very high	109 Å²	109	57.1 Å²	57.1	47%	0.474	28%	0.277	S	S	.	.	H	α-helix	trans	-68.4	-32.2	-172.9	-67.9	-177.2	-170.7	161.1	0	114.1	S337 D339 E344 R345	S337-K341 PolarHBondContact OG-N 3.44Å; S337-K341 VanDerWaalsContact OG-N 3.08Å; D339-K341 WeakPolarHBondContact OD1-CB 2.99Å; D339-K341 PolarHBondContact OD1-N 2.92Å; D339-K341 WeakPolarHBondContact OD2-CD 3.41Å; D339-K341 WeakPolarHBondContact OD2-CE 3.28Å; D339-K341 WeakPolarHBondContact OD2-CG 3.42Å; D339-K341 IonicContact OD2-NZ 3.33Å; D339-K341 PolarHBondContact OD2-NZ 3.11Å; K341-E344 PolarHBondContact O-N 3.1Å; K341-R345 PolarHBondContact O-N 2.93Å; K341-R345 PolarHBondContact O-NH1 3.14Å
342	A	98.3	Very high	96.7	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-63	-47.7	173.8	0	0	0	0	0	110.7	E334 E335 S337 G340 E344 R345 F346	E334-A342 HydrophobicContact CB-CB 4.37Å; E334-A342 HydrophobicContact CG-CB 4.04Å; E335-A342 WeakPolarHBondContact O-CB 3.32Å; S337-A342 VanDerWaalsContact OG-CB 3.31Å; S337-A342 WeakPolarHBondContact OG-CB 2.88Å; S337-A342 PolarHBondContact OG-N 3.03Å; G340-A342 PolarHBondContact O-N 2.99Å; A342-E344 VanDerWaalsContact C-N 3.32Å; A342-E344 PolarHBondContact O-N 3.3Å; A342-R345 PolarHBondContact O-N 3.02Å; A342-F346 WeakPolarHBondContact O-CB 3.48Å; A342-F346 PolarHBondContact O-N 2.97Å
343	L	98.6	Very high	96.7	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-39.3	175.4	178.2	61.8	0	0	0	111.8	L255 V277 V280 V320 M332 F336 G340 F346 L347	L255-L343 HydrophobicContact CD1-CD1 4Å; V277-L343 HydrophobicContact CB-CD2 4.42Å; V277-L343 HydrophobicContact CG1-CD2 4.37Å; V277-L343 HydrophobicContact CG2-CD2 4.38Å; V280-L343 HydrophobicContact CB-CD2 3.89Å; V280-L343 HydrophobicContact CB-CG 4.22Å; V280-L343 HydrophobicContact CG1-CD2 4.28Å; V280-L343 HydrophobicContact CG1-CG 4.05Å; V280-L343 HydrophobicContact CG2-CB 4.47Å; V280-L343 HydrophobicContact CG2-CD2 4.1Å; V280-L343 HydrophobicContact CG2-CG 4.43Å; V320-L343 HydrophobicContact CG1-CD1 3.96Å; V320-L343 HydrophobicContact CG2-CD1 4.39Å; M332-L343 HydrophobicContact SD-CB 4.4Å; M332-L343 HydrophobicContact SD-CD1 4.36Å; F336-L343 HydrophobicContact CE2-CB 4.19Å; F336-L343 HydrophobicContact CE2-CD2 4.01Å; F336-L343 HydrophobicContact CZ-CD2 4.32Å; G340-L343 PolarHBondContact O-N 2.64Å; L343-F346 HydrophobicContact CD1-CD1 4.31Å; L343-F346 PolarHBondContact O-N 3.33Å; L343-L347 HydrophobicContact CD1-CD1 4.07Å; L343-L347 HydrophobicContact CD1-CG 4.24Å; L343-L347 HydrophobicContact CG-CD1 4.02Å; L343-L347 WeakPolarHBondContact O-CB 3.42Å; L343-L347 WeakPolarHBondContact O-CG 3.47Å; L343-L347 PolarHBondContact O-N 2.88Å
344	E	98.7	Very high	97	Very high	104 Å²	104	61.6 Å²	61.6	49%	0.486	30%	0.3	S	S	.	.	H	α-helix	trans	-62.7	-46.6	177	-174.2	175.3	-164.4	0	0	112	V280 F284 G340 K341 A342 L347 Q348	V280-E344 HydrophobicContact CG1-CB 3.93Å; V280-E344 HydrophobicContact CG1-CG 4.47Å; F284-E344 HydrophobicContact CE2-CG 4.15Å; F284-E344 HydrophobicContact CZ-CG 4.3Å; F284-E344 WeakPolarHBondContact CZ-O 3.39Å; G340-E344 WeakPolarHBondContact O-CB 3.25Å; G340-E344 PolarHBondContact O-N 3.04Å; K341-E344 PolarHBondContact O-N 3.1Å; A342-E344 VanDerWaalsContact C-N 3.32Å; A342-E344 PolarHBondContact O-N 3.3Å; E344-L347 PolarHBondContact O-N 3Å; E344-Q348 WeakPolarHBondContact O-CB 3.3Å; E344-Q348 PolarHBondContact O-N 3.39Å
345	R	98.6	Very high	97	Very high	109 Å²	109	59.6 Å²	59.6	41%	0.411	29%	0.292	S	S	.	.	H	α-helix	trans	-60	-47.3	173.8	-79.6	-174.4	-70.8	-79.8	2.4	112	E334 K341 A342 L347 Q348 D349	E334-R345 VanDerWaalsContact CD-NH2 3.3Å; E334-R345 IonicContact OE1-CZ 3.39Å; E334-R345 IonicContact OE1-NE 2.77Å; E334-R345 IonicContact OE1-NH2 3.51Å; E334-R345 PolarHBondContact OE1-NH2 3.25Å; E334-R345 IonicContact OE2-CZ 3.32Å; E334-R345 IonicContact OE2-NE 2.71Å; E334-R345 PolarHBondContact OE2-NE 2.76Å; E334-R345 IonicContact OE2-NH2 3.28Å; E334-R345 PolarHBondContact OE2-NH2 3.1Å; E334-R345 VanDerWaalsContact OE2-NH2 3.15Å; K341-R345 PolarHBondContact O-N 2.93Å; K341-R345 PolarHBondContact O-NH1 3.14Å; A342-R345 PolarHBondContact O-N 3.02Å; R345-L347 VanDerWaalsContact C-N 3.33Å; R345-L347 PolarHBondContact O-N 2.77Å; R345-Q348 WeakPolarHBondContact O-CB 3.44Å; R345-Q348 PolarHBondContact O-N 3.29Å; R345-D349 PolarHBondContact O-N 3.29Å
346	F	98.6	Very high	96.7	Very high	11 Å²	11	62 Å²	62	5%	0.048	30%	0.3	C	S	.	.	H	α-helix	trans	-57.5	-46.2	178.4	173.5	-110.3	0	0	0	112.1	L255 V320 I322 M332 A342 L343 D349 F350 L355	L255-F346 HydrophobicContact CD1-CD1 4.49Å; L255-F346 HydrophobicContact CD1-CE1 4.18Å; V320-F346 HydrophobicContact CG1-CD1 4.24Å; V320-F346 HydrophobicContact CG1-CE1 3.92Å; I322-F346 HydrophobicContact CD1-CD1 4.47Å; I322-F346 HydrophobicContact CD1-CE1 3.52Å; I322-F346 HydrophobicContact CD1-CZ 3.79Å; I322-F346 HydrophobicContact CG1-CE1 3.81Å; I322-F346 HydrophobicContact CG1-CZ 4.03Å; M332-F346 HydrophobicContact CB-CB 4.41Å; M332-F346 HydrophobicContact CB-CD1 4.04Å; M332-F346 HydrophobicContact CB-CD2 3.75Å; M332-F346 HydrophobicContact CB-CE1 4.22Å; M332-F346 HydrophobicContact CB-CE2 3.93Å; M332-F346 HydrophobicContact CB-CG 3.8Å; M332-F346 HydrophobicContact CB-CZ 4.17Å; M332-F346 HydrophobicContact CG-CB 3.77Å; M332-F346 HydrophobicContact CG-CD1 4.26Å; M332-F346 HydrophobicContact CG-CD2 3.93Å; M332-F346 HydrophobicContact CG-CG 3.72Å; M332-F346 HydrophobicContact SD-CB 3.85Å; M332-F346 HydrophobicContact SD-CD1 4.28Å; M332-F346 HydrophobicContact SD-CG 4.11Å; A342-F346 WeakPolarHBondContact O-CB 3.48Å; A342-F346 PolarHBondContact O-N 2.97Å; L343-F346 HydrophobicContact CD1-CD1 4.31Å; L343-F346 PolarHBondContact O-N 3.33Å; F346-D349 PolarHBondContact O-N 3.41Å; F346-F350 WeakPolarHBondContact O-CB 3.5Å; F346-F350 PolarHBondContact O-N 2.7Å; F346-L355 HydrophobicContact CD2-CD1 3.63Å; F346-L355 HydrophobicContact CD2-CD2 4.24Å; F346-L355 HydrophobicContact CE2-CD1 3.33Å; F346-L355 HydrophobicContact CE2-CD2 4.46Å; F346-L355 HydrophobicContact CZ-CD1 4.02Å
347	L	98.8	Very high	96.5	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-66.9	-38.7	176.4	-77.1	169.6	0	0	0	112.5	L255 V280 F284 L291 F293 I322 L343 E344 R345 F350 F351	L255-L347 HydrophobicContact CD1-CD1 4.47Å; L255-L347 HydrophobicContact CD1-CD2 3.59Å; L255-L347 HydrophobicContact CD1-CG 4.17Å; V280-L347 HydrophobicContact CG1-CD1 3.72Å; F284-L347 HydrophobicContact CD2-CB 3.96Å; F284-L347 HydrophobicContact CD2-CD1 3.8Å; F284-L347 HydrophobicContact CE1-CB 4.2Å; F284-L347 HydrophobicContact CE2-CB 3.48Å; F284-L347 VanDerWaalsContact CE2-CB 3.48Å; F284-L347 HydrophobicContact CE2-CD1 3.89Å; F284-L347 HydrophobicContact CE2-CG 4.35Å; F284-L347 HydrophobicContact CZ-CB 3.62Å; L291-L347 HydrophobicContact CD2-CD2 3.49Å; L291-L347 VanDerWaalsContact CD2-CD2 3.49Å; F293-L347 HydrophobicContact CE1-CD1 3.92Å; F293-L347 HydrophobicContact CE1-CD2 4.04Å; F293-L347 HydrophobicContact CZ-CD1 4.45Å; F293-L347 HydrophobicContact CZ-CD2 4.42Å; I322-L347 HydrophobicContact CD1-CD2 4.39Å; L343-L347 HydrophobicContact CD1-CD1 4.07Å; L343-L347 HydrophobicContact CD1-CG 4.24Å; L343-L347 HydrophobicContact CG-CD1 4.02Å; L343-L347 WeakPolarHBondContact O-CB 3.42Å; L343-L347 WeakPolarHBondContact O-CG 3.47Å; L343-L347 PolarHBondContact O-N 2.88Å; E344-L347 PolarHBondContact O-N 3Å; R345-L347 VanDerWaalsContact C-N 3.33Å; R345-L347 PolarHBondContact O-N 2.77Å; L347-F350 WeakPolarHBondContact O-CB 3.32Å; L347-F350 PolarHBondContact O-N 3.39Å; L347-F351 HydrophobicContact CB-CD2 4.46Å; L347-F351 HydrophobicContact CB-CE2 4.34Å; L347-F351 HydrophobicContact CD2-CE2 4.12Å; L347-F351 WeakPolarHBondContact O-CD2 3.36Å; L347-F351 PolarHBondContact O-N 2.81Å
348	Q	98.5	Very high	96.1	Very high	71 Å²	71	69.7 Å²	69.7	33%	0.332	33%	0.326	S	S	.	.	H	α-helix	trans	-60	-49.4	175.3	-173.6	61.5	51	0	0	110.8	F284 E344 R345 F350 F351 D352	F284-Q348 HydrophobicContact CE1-CB 4.46Å; F284-Q348 HydrophobicContact CZ-CB 4.21Å; E344-Q348 WeakPolarHBondContact O-CB 3.3Å; E344-Q348 PolarHBondContact O-N 3.39Å; R345-Q348 WeakPolarHBondContact O-CB 3.44Å; R345-Q348 PolarHBondContact O-N 3.29Å; Q348-F350 VanDerWaalsContact C-N 3.31Å; Q348-F350 PolarHBondContact O-N 2.89Å; Q348-F351 PolarHBondContact O-N 3.07Å; Q348-D352 VanDerWaalsContact NE2-CG 3.27Å; Q348-D352 PolarHBondContact NE2-OD1 2.81Å; Q348-D352 PolarHBondContact NE2-OD2 3.32Å; Q348-D352 VanDerWaalsContact NE2-OD2 3.11Å; Q348-D352 VanDerWaalsContact O-CB 3.28Å; Q348-D352 WeakPolarHBondContact O-CB 3.47Å; Q348-D352 PolarHBondContact O-N 2.82Å
349	D	98.1	Very high	95.6	Very high	57 Å²	57	66.1 Å²	66.1	31%	0.305	32%	0.317	S	S	.	.	H	α-helix	trans	-65.9	-33.8	178.4	-72.5	-25.2	0	0	0	112.3	R345 F346 G353 K354 L355	R345-D349 PolarHBondContact O-N 3.29Å; F346-D349 PolarHBondContact O-N 3.41Å; D349-G353 PolarHBondContact O-N 3.13Å; D349-G353 VanDerWaalsContact O-N 3.16Å; D349-K354 HydrophobicContact CB-CB 4.08Å; D349-K354 PolarHBondContact O-N 3.34Å; D349-K354 VanDerWaalsContact OD1-CD 3.3Å; D349-K354 WeakPolarHBondContact OD1-CD 3.44Å; D349-K354 IonicContact OD1-NZ 3.87Å; D349-L355 HydrophobicContact CB-CD2 3.64Å; D349-L355 HydrophobicContact CB-CG 3.85Å; D349-L355 PolarHBondContact O-N 3.16Å
350	F	98.2	Very high	95.1	Very high	33 Å²	33	66.5 Å²	66.5	15%	0.145	32%	0.315	C	S	.	.	H	α-helix	trans	-61.8	-52.9	172.6	176.3	-103.4	0	0	0	111.1	L291 I322 T324 Y330 F346 L347 Q348 D352 G353 L355	L291-F350 HydrophobicContact CD1-CE1 4.2Å; L291-F350 HydrophobicContact CD2-CD1 4.33Å; L291-F350 HydrophobicContact CD2-CE1 4.17Å; I322-F350 HydrophobicContact CB-CE2 4.49Å; I322-F350 HydrophobicContact CD1-CB 4.13Å; I322-F350 HydrophobicContact CD1-CD1 3.91Å; I322-F350 HydrophobicContact CD1-CD2 3.62Å; I322-F350 HydrophobicContact CD1-CE1 4.22Å; I322-F350 HydrophobicContact CD1-CE2 3.95Å; I322-F350 HydrophobicContact CD1-CG 3.59Å; I322-F350 HydrophobicContact CD1-CZ 4.24Å; I322-F350 HydrophobicContact CG2-CE2 3.85Å; I322-F350 HydrophobicContact CG2-CZ 3.91Å; T324-F350 HydrophobicContact CG2-CE2 4.39Å; T324-F350 HydrophobicContact CG2-CZ 4.38Å; Y330-F350 HydrophobicContact CD2-CD2 4.02Å; Y330-F350 AromaticContact CD2-CE2 3.65Å; Y330-F350 HydrophobicContact CD2-CE2 3.65Å; Y330-F350 HydrophobicContact CE2-CD2 4.33Å; Y330-F350 AromaticContact CE2-CE2 3.76Å; Y330-F350 HydrophobicContact CE2-CE2 3.76Å; Y330-F350 HydrophobicContact CG-CD2 4.13Å; Y330-F350 HydrophobicContact CG-CE2 4.24Å; F346-F350 WeakPolarHBondContact O-CB 3.5Å; F346-F350 PolarHBondContact O-N 2.7Å; L347-F350 WeakPolarHBondContact O-CB 3.32Å; L347-F350 PolarHBondContact O-N 3.39Å; Q348-F350 VanDerWaalsContact C-N 3.31Å; Q348-F350 PolarHBondContact O-N 2.89Å; F350-D352 VanDerWaalsContact C-N 3.28Å; F350-D352 PolarHBondContact O-N 2.85Å; F350-G353 PolarHBondContact O-N 2.67Å; F350-G353 VanDerWaalsContact O-N 3.09Å; F350-L355 HydrophobicContact CB-CD1 3.64Å; F350-L355 HydrophobicContact CB-CG 4.4Å; F350-L355 HydrophobicContact CD2-CD1 4.26Å; F350-L355 HydrophobicContact CG-CD1 4.46Å
351	F	98.1	Very high	94.8	Very high	43 Å²	43	67.7 Å²	67.7	19%	0.189	32%	0.323	C	S	.	.	H	α-helix	trans	-70.5	-23.2	-178.8	-70.7	-57	0	0	0	113.6	F284 K289 L291 L347 Q348 G353	F284-F351 HydrophobicContact CB-CE2 3.93Å; F284-F351 AromaticContact CD1-CD2 3.49Å; F284-F351 HydrophobicContact CD1-CD2 3.49Å; F284-F351 VanDerWaalsContact CD1-CD2 3.49Å; F284-F351 AromaticContact CD1-CE2 3.59Å; F284-F351 HydrophobicContact CD1-CE2 3.59Å; F284-F351 AromaticContact CE1-CD2 3.82Å; F284-F351 HydrophobicContact CE1-CD2 3.82Å; F284-F351 HydrophobicContact CE1-CE2 4.26Å; F284-F351 HydrophobicContact CG-CD2 4.2Å; F284-F351 AromaticContact CG-CE2 3.82Å; F284-F351 HydrophobicContact CG-CE2 3.82Å; K289-F351 HydrophobicContact CB-CD1 4.25Å; K289-F351 HydrophobicContact CB-CD2 4.33Å; K289-F351 HydrophobicContact CB-CE1 3.83Å; K289-F351 HydrophobicContact CB-CE2 3.92Å; K289-F351 HydrophobicContact CB-CG 4.5Å; K289-F351 HydrophobicContact CB-CZ 3.65Å; K289-F351 HydrophobicContact CD-CB 4.33Å; K289-F351 HydrophobicContact CD-CD1 4.09Å; K289-F351 HydrophobicContact CD-CD2 4.37Å; K289-F351 HydrophobicContact CD-CG 4.02Å; K289-F351 HydrophobicContact CG-CD1 4.44Å; K289-F351 HydrophobicContact CG-CD2 4.17Å; K289-F351 HydrophobicContact CG-CE1 4.48Å; K289-F351 HydrophobicContact CG-CE2 4.21Å; K289-F351 HydrophobicContact CG-CG 4.3Å; K289-F351 HydrophobicContact CG-CZ 4.36Å; L291-F351 HydrophobicContact CB-CE1 4.14Å; L291-F351 HydrophobicContact CB-CZ 3.72Å; L291-F351 HydrophobicContact CD2-CZ 3.94Å; L347-F351 HydrophobicContact CB-CD2 4.46Å; L347-F351 HydrophobicContact CB-CE2 4.34Å; L347-F351 HydrophobicContact CD2-CE2 4.12Å; L347-F351 WeakPolarHBondContact O-CD2 3.36Å; L347-F351 PolarHBondContact O-N 2.81Å; Q348-F351 PolarHBondContact O-N 3.07Å; F351-G353 VanDerWaalsContact C-N 3.3Å
352	D	97.4	Very high	94.4	Very high	69 Å²	69	66.4 Å²	66.4	37%	0.369	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-4.9	172.7	-69.7	-10	0	0	0	112.8	Q348 F350 K354	Q348-D352 VanDerWaalsContact NE2-CG 3.27Å; Q348-D352 PolarHBondContact NE2-OD1 2.81Å; Q348-D352 PolarHBondContact NE2-OD2 3.32Å; Q348-D352 VanDerWaalsContact NE2-OD2 3.11Å; Q348-D352 VanDerWaalsContact O-CB 3.28Å; Q348-D352 WeakPolarHBondContact O-CB 3.47Å; Q348-D352 PolarHBondContact O-N 2.82Å; F350-D352 VanDerWaalsContact C-N 3.28Å; F350-D352 PolarHBondContact O-N 2.85Å; D352-K354 VanDerWaalsContact C-N 3.28Å; D352-K354 HydrophobicContact CB-CD 3.82Å; D352-K354 HydrophobicContact CB-CG 3.94Å; D352-K354 PolarHBondContact O-N 2.87Å; D352-K354 IonicContact OD2-NZ 2.7Å; D352-K354 PolarHBondContact OD2-NZ 3.37Å
353	G	95.6	Very high	94	Very high	68 Å²	68	75.4 Å²	75.4	70%	0.701	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	22.6	-178.5	0	0	0	0	0	114.2	D349 F350 F351	D349-G353 PolarHBondContact O-N 3.13Å; D349-G353 VanDerWaalsContact O-N 3.16Å; F350-G353 PolarHBondContact O-N 2.67Å; F350-G353 VanDerWaalsContact O-N 3.09Å; F351-G353 VanDerWaalsContact C-N 3.3Å
354	K	95.7	Very high	93.8	Very high	132 Å²	132	78.6 Å²	78.6	57%	0.574	38%	0.377	S	S	*	.			trans	-88	-21.7	-178.2	-67.2	168.7	-179.3	156.4	0	113.1	D349 D352	D349-K354 HydrophobicContact CB-CB 4.08Å; D349-K354 PolarHBondContact O-N 3.34Å; D349-K354 VanDerWaalsContact OD1-CD 3.3Å; D349-K354 WeakPolarHBondContact OD1-CD 3.44Å; D349-K354 IonicContact OD1-NZ 3.87Å; D352-K354 VanDerWaalsContact C-N 3.28Å; D352-K354 HydrophobicContact CB-CD 3.82Å; D352-K354 HydrophobicContact CB-CG 3.94Å; D352-K354 PolarHBondContact O-N 2.87Å; D352-K354 IonicContact OD2-NZ 2.7Å; D352-K354 PolarHBondContact OD2-NZ 3.37Å
355	L	92.8	Very high	93.5	Very high	42 Å²	42	75.5 Å²	75.5	22%	0.22	37%	0.366	C	S	.	.	S	Bend	trans	-70.8	136.3	179.2	-64.2	-177.1	0	0	0	111.4	Y330 F346 D349 F350	Y330-L355 HydrophobicContact CD1-CB 3.64Å; Y330-L355 HydrophobicContact CD1-CD1 4.28Å; Y330-L355 HydrophobicContact CE1-CB 4.09Å; F346-L355 HydrophobicContact CD2-CD1 3.63Å; F346-L355 HydrophobicContact CD2-CD2 4.24Å; F346-L355 HydrophobicContact CE2-CD1 3.33Å; F346-L355 HydrophobicContact CE2-CD2 4.46Å; F346-L355 HydrophobicContact CZ-CD1 4.02Å; D349-L355 HydrophobicContact CB-CD2 3.64Å; D349-L355 HydrophobicContact CB-CG 3.85Å; D349-L355 PolarHBondContact O-N 3.16Å; F350-L355 HydrophobicContact CB-CD1 3.64Å; F350-L355 HydrophobicContact CB-CG 4.4Å; F350-L355 HydrophobicContact CD2-CD1 4.26Å; F350-L355 HydrophobicContact CG-CD1 4.46Å
356	K	88.1	Confident	93.1	Very high	194 Å²	194	80.3 Å²	80.3	84%	0.843	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-77.6	141.9	165.1	-65.3	-173.8	179.5	-175.9	0	109.3	Y330	Y330-K356 WeakPolarHBondContact CD1-O 3.21Å
357	R	90.6	Very high	92.8	Very high	137 Å²	137	85.5 Å²	85.5	52%	0.517	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-61.7	137.5	170.9	-69.5	172.3	54.5	173.5	3.6	109.4	D328 K329 Y330	D328-R357 HydrophobicContact CB-CG 4.19Å; D328-R357 VanDerWaalsContact CG-CZ 3.43Å; D328-R357 IonicContact OD1-CZ 3.18Å; D328-R357 IonicContact OD1-NE 3.96Å; D328-R357 PolarHBondContact OD1-NE 2.94Å; D328-R357 IonicContact OD1-NH1 2.77Å; D328-R357 PolarHBondContact OD1-NH1 2.58Å; D328-R357 IonicContact OD1-NH2 3.7Å; D328-R357 PolarHBondContact OD1-NH2 3.39Å; D328-R357 IonicContact OD2-NH1 2.7Å; K329-R357 CarbonylContact O-C 3.43Å; K329-R357 VanDerWaalsContact O-CA 3.3Å; K329-R357 WeakPolarHBondContact O-CA 3.02Å; Y330-R357 HydrophobicContact CE1-CB 4.4Å; Y330-R357 HydrophobicContact CE1-CG 3.68Å; Y330-R357 HydrophobicContact CE2-CG 4.37Å; Y330-R357 WeakPolarHBondContact OH-CG 3.23Å
358	Y	88.8	Confident	92.5	Very high	54 Å²	54	87.2 Å²	87.2	21%	0.212	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-69.9	129.9	170.1	173.5	-95.4	0	0	0	110	D307 F308 G309 K329 V331 K360	D307-Y358 VanDerWaalsContact O-CE1 3.24Å; D307-Y358 WeakPolarHBondContact O-CE1 3.35Å; F308-Y358 WeakPolarHBondContact O-CE1 3.39Å; F308-Y358 WeakPolarHBondContact O-CE2 3.48Å; G309-Y358 WeakPolarHBondContact CA-OH 3.49Å; G309-Y358 PolarHBondContact N-OH 3.24Å; K329-Y358 HydrophobicContact CB-CD1 4.31Å; K329-Y358 HydrophobicContact CD-CD1 4.33Å; K329-Y358 PolarHBondContact O-N 2.97Å; V331-Y358 HydrophobicContact CB-CD2 4.47Å; V331-Y358 HydrophobicContact CG2-CD1 4.33Å; V331-Y358 HydrophobicContact CG2-CD2 3.94Å; V331-Y358 HydrophobicContact CG2-CG 3.7Å; Y358-K360 WeakPolarHBondContact OH-CA 3.4Å
359	L	85.2	Confident	92.1	Very high	71 Å²	71	91.9 Å²	91.9	37%	0.372	45%	0.452	S	S	.	.			trans	-120.3	136.1	170.3	-66.7	172.8	0	0	0	107.3	S361 A377 D434	L359-S361 PolarHBondContact O-N 3Å; L359-S361 VanDerWaalsContact O-N 3.12Å; L359-A377 HydrophobicContact CB-CB 4.13Å; L359-D434 HydrophobicContact CB-CB 4.25Å; L359-D434 HydrophobicContact CD2-CB 4.07Å
360	K	85.3	Confident	91.7	Very high	89 Å²	89	90.8 Å²	90.8	39%	0.387	46%	0.455	S	S	.	.			trans	-59.3	118.8	168.5	-170.8	-170.7	176.8	-172.9	0	107.8	Y358 A377 T431 A432 N433 D434	Y358-K360 WeakPolarHBondContact OH-CA 3.4Å; K360-A377 VanDerWaalsContact O-CB 3.23Å; K360-A377 WeakPolarHBondContact O-CB 3.4Å; K360-T431 PolarHBondContact NZ-O 3.39Å; K360-A432 WeakPolarHBondContact CE-O 3.35Å; K360-N433 CarbonylContact O-C 2.85Å; K360-N433 VanDerWaalsContact O-CA 3.31Å; K360-N433 WeakPolarHBondContact O-CA 3.27Å; K360-D434 HydrophobicContact CB-CB 4.29Å; K360-D434 WeakPolarHBondContact CB-OD1 3.46Å; K360-D434 PolarHBondContact N-OD2 3.29Å; K360-D434 PolarHBondContact O-N 3.22Å
361	S	88.9	Confident	91.5	Very high	27 Å²	27	91.7 Å²	91.7	19%	0.189	46%	0.463	C	S	.	.			trans	-139.1	141.1	179.6	-166.1	0	0	0	0	109.6	L359 A377 E378 N433	L359-S361 PolarHBondContact O-N 3Å; L359-S361 VanDerWaalsContact O-N 3.12Å; S361-A377 PolarHBondContact OG-N 3.13Å; S361-E378 PolarHBondContact OG-N 3.44Å; S361-N433 WeakPolarHBondContact CA-OD1 3.33Å
362	E	89.8	Confident	91.5	Very high	81 Å²	81	90.4 Å²	90.4	38%	0.379	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-67.3	163.3	155.9	-66.6	178.4	100.3	0	0	109.7	V364 V376 A432 N433	E362-V364 PolarHBondContact O-N 3.02Å; E362-V376 HydrophobicContact CB-CB 4.4Å; E362-V376 HydrophobicContact CB-CG1 3.78Å; E362-A432 HydrophobicContact CG-CB 3.58Å; E362-N433 PolarHBondContact N-OD1 2.92Å; E362-N433 PolarHBondContact OE2-ND2 3.13Å
363	K	90	Very high	91.6	Very high	191 Å²	191	90.3 Å²	90.3	83%	0.83	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-62.5	137.2	174.1	-67	-175.4	179	-177.7	0	109.7	P365	K363-P365 WeakPolarHBondContact O-CD 3.41Å
364	V	93.3	Very high	91.7	Very high	67 Å²	67	89.4 Å²	89.4	41%	0.406	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-56.3	125	170.3	-178.6	0	0	0	0	109	E362 E366 V376 E378 N379	E362-V364 PolarHBondContact O-N 3.02Å; V364-E366 PolarHBondContact O-N 3.29Å; V364-V376 HydrophobicContact CB-CG2 4.41Å; V364-V376 HydrophobicContact CG2-CG2 3.82Å; V364-E378 HydrophobicContact CG2-CB 3.84Å; V364-N379 HydrophobicContact CG1-CB 4.32Å; V364-N379 HydrophobicContact CG2-CB 4.21Å
365	P	92.4	Very high	91.8	Very high	39 Å²	39	83.1 Å²	83.1	25%	0.253	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-59.5	134	-179.6	-23.9	32.5	0	0	0	112	K363 N367 V374	K363-P365 WeakPolarHBondContact O-CD 3.41Å; P365-N367 VanDerWaalsContact C-N 3.25Å; P365-N367 PolarHBondContact O-N 3.04Å; P365-V374 HydrophobicContact CG-CB 3.92Å; P365-V374 HydrophobicContact CG-CG1 3.66Å
366	E	91.1	Very high	91.9	Very high	210 Å²	210	81.2 Å²	81.2	98%	0.981	40%	0.399	S	S	*	.	S	Bend	trans	-62.4	-33.8	177.4	-66.1	-177.6	174.7	0	0	112.3	V364	V364-E366 PolarHBondContact O-N 3.29Å
367	N	91.7	Very high	92.1	Very high	120 Å²	120	72.3 Å²	72.3	64%	0.642	36%	0.362	S	S	*	.			trans	-122.5	119.2	173.5	-176.6	-13	0	0	0	109.7	P365 E369	P365-N367 VanDerWaalsContact C-N 3.25Å; P365-N367 PolarHBondContact O-N 3.04Å; N367-E369 PolarHBondContact OD1-N 3.46Å
368	N	92.8	Very high	92.1	Very high	36 Å²	36	72.4 Å²	72.4	19%	0.193	37%	0.368	C	S	.	.			trans	-127.7	36	178.3	-158.7	11.4	0	0	0	111.9	K373 V374	N368-K373 WeakPolarHBondContact O-CD 3.42Å; N368-K373 PolarHBondContact O-NZ 3Å; N368-V374 PolarHBondContact ND2-O 3.28Å; N368-V374 PolarHBondContact OD1-N 2.83Å
369	E	89.6	Confident	92.4	Very high	170 Å²	170	70.4 Å²	70.4	79%	0.794	36%	0.361	S	S	*	.			trans	-89.3	-1.7	-178.8	-62.4	-156.4	157.3	0	0	114.2	N367	N367-E369 PolarHBondContact OD1-N 3.46Å
370	G	90.4	Very high	92.9	Very high	34 Å²	34	67.2 Å²	67.2	35%	0.351	34%	0.344	S	S	.	.	S	Bend	trans	-61.4	163.7	-179.6	0	0	0	0	0	114.6	V372	G370-V372 PolarHBondContact O-N 2.8Å
371	P	94.8	Very high	93.3	Very high	51 Å²	51	68.2 Å²	68.2	33%	0.331	35%	0.354	S	S	.	.	S	Bend	trans	-65.1	-18.7	179.8	26.4	-35	0	0	0	113.4	K411 G414 E415	P371-K411 HydrophobicContact CG-CG 4.29Å; P371-G414 WeakPolarHBondContact O-CA 3.4Å; P371-E415 HydrophobicContact CB-CB 4.43Å; P371-E415 HydrophobicContact CB-CG 3.73Å; P371-E415 HydrophobicContact CG-CG 3.74Å
372	V	97.9	Very high	93.6	Very high	17 Å²	17	70.9 Å²	70.9	10%	0.103	37%	0.372	C	S	.	.	S	Bend	trans	-120.5	117.2	169.6	-178.5	0	0	0	0	107.5	G370 V374 Y410 I425 K427	G370-V372 PolarHBondContact O-N 2.8Å; V372-V374 PolarHBondContact O-N 3.45Å; V372-Y410 HydrophobicContact CG1-CD1 4Å; V372-Y410 HydrophobicContact CG1-CE1 4.02Å; V372-Y410 HydrophobicContact CG2-CD1 4.24Å; V372-Y410 WeakPolarHBondContact CG2-O 3.25Å; V372-I425 CarbonylContact C-O 3.6Å; V372-I425 WeakPolarHBondContact CA-O 3.36Å; V372-I425 HydrophobicContact CG1-CG2 4.31Å; V372-I425 HydrophobicContact CG2-CG2 4.03Å; V372-K427 HydrophobicContact CG1-CB 4.05Å; V372-K427 HydrophobicContact CG1-CD 4.1Å; V372-K427 HydrophobicContact CG1-CG 3.85Å
373	K	97.9	Very high	93.9	Very high	66 Å²	66	68.4 Å²	68.4	29%	0.287	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	130	178.7	-61.6	-57.2	-177.7	-167.2	0	110.3	N368 I383 V424 I425 A426 K427	N368-K373 WeakPolarHBondContact O-CD 3.42Å; N368-K373 PolarHBondContact O-NZ 3Å; K373-I383 HydrophobicContact CB-CG2 4.43Å; K373-V424 HydrophobicContact CB-CG1 4.18Å; K373-V424 HydrophobicContact CG-CG1 3.64Å; K373-I425 PolarHBondContact N-O 2.88Å; K373-A426 HydrophobicContact CB-CB 4.26Å; K373-A426 CarbonylContact O-C 3.53Å; K373-A426 WeakPolarHBondContact O-CA 3.39Å; K373-K427 PolarHBondContact O-N 3.09Å
374	V	97.9	Very high	94.3	Very high	49 Å²	49	59.3 Å²	59.3	30%	0.297	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	119.9	172.6	-179.8	0	0	0	0	108	P365 N368 V372 N379	P365-V374 HydrophobicContact CG-CB 3.92Å; P365-V374 HydrophobicContact CG-CG1 3.66Å; N368-V374 PolarHBondContact ND2-O 3.28Å; N368-V374 PolarHBondContact OD1-N 2.83Å; V372-V374 PolarHBondContact O-N 3.45Å; V374-N379 PolarHBondContact O-ND2 3.07Å
375	V	97.9	Very high	94.4	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	134.7	178.9	177.5	0	0	0	0	108.6	N379 F380 I383 V384 I393 A426 K427 M428	V375-N379 WeakPolarHBondContact CA-OD1 3.21Å; V375-F380 HydrophobicContact CG1-CB 3.99Å; V375-F380 HydrophobicContact CG1-CD2 3.55Å; V375-F380 HydrophobicContact CG1-CE2 4.37Å; V375-F380 HydrophobicContact CG1-CG 4.1Å; V375-I383 HydrophobicContact CG2-CB 4.22Å; V375-I383 HydrophobicContact CG2-CD1 4.07Å; V375-I383 HydrophobicContact CG2-CG2 3.85Å; V375-V384 HydrophobicContact CG1-CG2 4.13Å; V375-V384 HydrophobicContact CG2-CG2 4.18Å; V375-I393 HydrophobicContact CB-CD1 4.2Å; V375-I393 HydrophobicContact CG1-CD1 4.16Å; V375-I393 HydrophobicContact CG2-CD1 4.24Å; V375-A426 HydrophobicContact CG2-CB 3.8Å; V375-K427 PolarHBondContact N-O 3.3Å; V375-M428 HydrophobicContact CB-CB 4.12Å; V375-M428 HydrophobicContact CG1-CB 4.38Å; V375-M428 HydrophobicContact CG1-SD 3.93Å; V375-M428 WeakPolarHBondContact O-CA 3.4Å; V375-M428 WeakPolarHBondContact O-CB 3.41Å; V375-M428 VanDerWaalsContact O-CG 3.25Å; V375-M428 WeakPolarHBondContact O-CG 3.47Å
376	V	96.2	Very high	94.6	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.012	32%	0.315	C	S	.	.			trans	-124	165.9	170.7	-60	0	0	0	0	107.7	E362 V364 E378 N379 F380 N433	E362-V376 HydrophobicContact CB-CB 4.4Å; E362-V376 HydrophobicContact CB-CG1 3.78Å; V364-V376 HydrophobicContact CB-CG2 4.41Å; V364-V376 HydrophobicContact CG2-CG2 3.82Å; V376-E378 HydrophobicContact CG2-CB 4.35Å; V376-E378 PolarHBondContact O-N 3.42Å; V376-N379 HydrophobicContact CG2-CB 4.4Å; V376-N379 PolarHBondContact N-OD1 3.47Å; V376-N379 PolarHBondContact O-N 3.1Å; V376-N379 PolarHBondContact O-OD1 3.11Å; V376-F380 PolarHBondContact O-N 3.04Å; V376-N433 WeakPolarHBondContact CA-OD1 3.19Å; V376-N433 VanDerWaalsContact CB-OD1 3.27Å; V376-N433 WeakPolarHBondContact CB-OD1 3.31Å
377	A	92.6	Very high	94.8	Very high	8 Å²	8	53.8 Å²	53.8	7%	0.066	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-35.4	-175.6	0	0	0	0	0	112.8	L359 K360 S361 N433	L359-A377 HydrophobicContact CB-CB 4.13Å; K360-A377 VanDerWaalsContact O-CB 3.23Å; K360-A377 WeakPolarHBondContact O-CB 3.4Å; S361-A377 PolarHBondContact OG-N 3.13Å; A377-N433 HydrophobicContact CB-CB 4.15Å; A377-N433 PolarHBondContact N-OD1 3.45Å; A377-N433 VanDerWaalsContact N-OD1 3.11Å
378	E	90.6	Very high	95.1	Very high	139 Å²	139	51.2 Å²	51.2	65%	0.65	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-35.3	179	-80.2	-178.9	179.3	0	0	114.7	S361 V364 V376	S361-E378 PolarHBondContact OG-N 3.44Å; V364-E378 HydrophobicContact CG2-CB 3.84Å; V376-E378 HydrophobicContact CG2-CB 4.35Å; V376-E378 PolarHBondContact O-N 3.42Å
379	N	94.8	Very high	95.3	Very high	11 Å²	11	52.2 Å²	52.2	6%	0.059	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	0.4	-179.5	75.4	0.2	0	0	0	113.3	V364 V374 V375 V376 D381 S382 I383	V364-N379 HydrophobicContact CG1-CB 4.32Å; V364-N379 HydrophobicContact CG2-CB 4.21Å; V374-N379 PolarHBondContact O-ND2 3.07Å; V375-N379 WeakPolarHBondContact CA-OD1 3.21Å; V376-N379 HydrophobicContact CG2-CB 4.4Å; V376-N379 PolarHBondContact N-OD1 3.47Å; V376-N379 PolarHBondContact O-N 3.1Å; V376-N379 PolarHBondContact O-OD1 3.11Å; N379-D381 VanDerWaalsContact C-N 3.34Å; N379-D381 PolarHBondContact O-N 3.38Å; N379-S382 PolarHBondContact O-N 2.66Å; N379-S382 PolarHBondContact O-OG 3.34Å; N379-I383 HydrophobicContact CB-CD1 4.27Å; N379-I383 WeakPolarHBondContact ND2-CD1 3.41Å; N379-I383 PolarHBondContact O-N 2.77Å; N379-I383 VanDerWaalsContact O-N 3.14Å
380	F	96	Very high	95.8	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-51.8	-51.3	-178.9	-170	-77.6	0	0	0	112.1	V375 V376 S382 I383 V384 I393 F395 M428 P436 Y439	V375-F380 HydrophobicContact CG1-CB 3.99Å; V375-F380 HydrophobicContact CG1-CD2 3.55Å; V375-F380 HydrophobicContact CG1-CE2 4.37Å; V375-F380 HydrophobicContact CG1-CG 4.1Å; V376-F380 PolarHBondContact O-N 3.04Å; F380-S382 VanDerWaalsContact C-N 3.35Å; F380-S382 PolarHBondContact O-N 2.9Å; F380-I383 PolarHBondContact O-N 2.92Å; F380-V384 HydrophobicContact CD1-CB 3.86Å; F380-V384 HydrophobicContact CD1-CG1 4.48Å; F380-V384 HydrophobicContact CD1-CG2 4.09Å; F380-V384 HydrophobicContact CD2-CG2 3.98Å; F380-V384 HydrophobicContact CE1-CB 3.55Å; F380-V384 HydrophobicContact CE1-CG1 3.68Å; F380-V384 HydrophobicContact CE1-CG2 3.96Å; F380-V384 HydrophobicContact CE2-CB 4.34Å; F380-V384 HydrophobicContact CE2-CG1 4.45Å; F380-V384 HydrophobicContact CE2-CG2 3.84Å; F380-V384 HydrophobicContact CG-CB 4.38Å; F380-V384 HydrophobicContact CG-CG2 4.1Å; F380-V384 HydrophobicContact CZ-CB 3.83Å; F380-V384 HydrophobicContact CZ-CG1 3.67Å; F380-V384 HydrophobicContact CZ-CG2 3.84Å; F380-V384 WeakPolarHBondContact O-CA 3.15Å; F380-V384 WeakPolarHBondContact O-CB 3.16Å; F380-V384 PolarHBondContact O-N 3.11Å; F380-I393 HydrophobicContact CD2-CD1 4.36Å; F380-I393 HydrophobicContact CE2-CD1 3.73Å; F380-I393 HydrophobicContact CZ-CD1 4.42Å; F380-F395 AromaticContact CE2-CE1 3.86Å; F380-F395 HydrophobicContact CE2-CE1 3.86Å; F380-F395 AromaticContact CE2-CZ 3.86Å; F380-F395 HydrophobicContact CE2-CZ 3.86Å; F380-F395 HydrophobicContact CZ-CZ 4.21Å; F380-M428 HydrophobicContact CD2-CE 4.32Å; F380-M428 HydrophobicContact CD2-SD 3.7Å; F380-M428 HydrophobicContact CE2-CE 4.39Å; F380-M428 HydrophobicContact CE2-SD 4.17Å; F380-P436 HydrophobicContact CD1-CG 3.39Å; F380-P436 HydrophobicContact CD2-CG 3.91Å; F380-P436 HydrophobicContact CE1-CG 3.4Å; F380-P436 VanDerWaalsContact CE1-CG 3.4Å; F380-P436 HydrophobicContact CE2-CG 3.92Å; F380-P436 HydrophobicContact CG-CG 3.66Å; F380-P436 HydrophobicContact CZ-CG 3.67Å; F380-Y439 HydrophobicContact CE1-CD2 4.12Å; F380-Y439 AromaticContact CE1-CE2 3.6Å; F380-Y439 HydrophobicContact CE1-CE2 3.6Å; F380-Y439 AromaticContact CZ-CD2 3.68Å; F380-Y439 HydrophobicContact CZ-CD2 3.68Å; F380-Y439 HydrophobicContact CZ-CE1 4.45Å; F380-Y439 AromaticContact CZ-CE2 3.42Å; F380-Y439 HydrophobicContact CZ-CE2 3.42Å; F380-Y439 VanDerWaalsContact CZ-CE2 3.42Å; F380-Y439 HydrophobicContact CZ-CG 4.33Å; F380-Y439 AromaticContact CZ-CZ 3.83Å
381	D	93.3	Very high	96.1	Very high	111 Å²	111	42.6 Å²	42.6	59%	0.594	24%	0.235	S	C	*	.	H	α-helix	trans	-62.1	-44.1	-177.1	-164.2	62.4	0	0	0	111.3	N379 I383 N385	N379-D381 VanDerWaalsContact C-N 3.34Å; N379-D381 PolarHBondContact O-N 3.38Å; D381-I383 VanDerWaalsContact C-N 3.26Å; D381-I383 PolarHBondContact O-N 2.82Å; D381-N385 CarbonylContact O-C 3.57Å; D381-N385 WeakPolarHBondContact O-CA 3.48Å; D381-N385 VanDerWaalsContact O-CB 3.3Å; D381-N385 WeakPolarHBondContact O-CB 3.42Å; D381-N385 PolarHBondContact O-N 3.39Å; D381-N385 VanDerWaalsContact O-N 3.12Å; D381-N385 WeakPolarHBondContact OD1-CB 3.4Å; D381-N385 PolarHBondContact OD1-ND2 2.65Å
382	S	95.1	Very high	96.3	Very high	82 Å²	82	40.1 Å²	40.1	57%	0.573	22%	0.219	S	C	*	.	H	α-helix	trans	-66.8	-23.2	-179.7	66.1	0	0	0	0	114.8	N379 F380	N379-S382 PolarHBondContact O-N 2.66Å; N379-S382 PolarHBondContact O-OG 3.34Å; F380-S382 VanDerWaalsContact C-N 3.35Å; F380-S382 PolarHBondContact O-N 2.9Å
383	I	96.6	Very high	96.4	Very high	30 Å²	30	39.3 Å²	39.3	15%	0.154	21%	0.214	C	C	.	.	H	α-helix	trans	-103.5	-54.8	-177.4	-63.1	175.5	0	0	0	110.5	K373 V375 N379 F380 D381 V424	K373-I383 HydrophobicContact CB-CG2 4.43Å; V375-I383 HydrophobicContact CG2-CB 4.22Å; V375-I383 HydrophobicContact CG2-CD1 4.07Å; V375-I383 HydrophobicContact CG2-CG2 3.85Å; N379-I383 HydrophobicContact CB-CD1 4.27Å; N379-I383 WeakPolarHBondContact ND2-CD1 3.41Å; N379-I383 PolarHBondContact O-N 2.77Å; N379-I383 VanDerWaalsContact O-N 3.14Å; F380-I383 PolarHBondContact O-N 2.92Å; D381-I383 VanDerWaalsContact C-N 3.26Å; D381-I383 PolarHBondContact O-N 2.82Å; I383-V424 HydrophobicContact CG2-CG1 4.28Å
384	V	97.6	Very high	96.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-80.4	-37.2	-171.4	-173.2	0	0	0	0	111.5	V375 F380 V391 I393 Y439 K455	V375-V384 HydrophobicContact CG1-CG2 4.13Å; V375-V384 HydrophobicContact CG2-CG2 4.18Å; F380-V384 HydrophobicContact CD1-CB 3.86Å; F380-V384 HydrophobicContact CD1-CG1 4.48Å; F380-V384 HydrophobicContact CD1-CG2 4.09Å; F380-V384 HydrophobicContact CD2-CG2 3.98Å; F380-V384 HydrophobicContact CE1-CB 3.55Å; F380-V384 HydrophobicContact CE1-CG1 3.68Å; F380-V384 HydrophobicContact CE1-CG2 3.96Å; F380-V384 HydrophobicContact CE2-CB 4.34Å; F380-V384 HydrophobicContact CE2-CG1 4.45Å; F380-V384 HydrophobicContact CE2-CG2 3.84Å; F380-V384 HydrophobicContact CG-CB 4.38Å; F380-V384 HydrophobicContact CG-CG2 4.1Å; F380-V384 HydrophobicContact CZ-CB 3.83Å; F380-V384 HydrophobicContact CZ-CG1 3.67Å; F380-V384 HydrophobicContact CZ-CG2 3.84Å; F380-V384 WeakPolarHBondContact O-CA 3.15Å; F380-V384 WeakPolarHBondContact O-CB 3.16Å; F380-V384 PolarHBondContact O-N 3.11Å; V384-V391 HydrophobicContact CG1-CB 4.47Å; V384-V391 HydrophobicContact CG1-CG1 4.3Å; V384-V391 HydrophobicContact CG2-CG1 4.39Å; V384-I393 HydrophobicContact CG2-CD1 3.58Å; V384-Y439 WeakPolarHBondContact CG1-OH 3.39Å; V384-K455 WeakPolarHBondContact O-CD 3.5Å; V384-K455 WeakPolarHBondContact O-CE 3.06Å; V384-K455 PolarHBondContact O-NZ 2.92Å
385	N	95.8	Very high	96.4	Very high	40 Å²	40	34 Å²	34	21%	0.214	19%	0.187	C	C	.	.	S	Bend	trans	-94.4	13.8	-179.2	-62.3	-23	0	0	0	113.5	D381 D387 K455	D381-N385 CarbonylContact O-C 3.57Å; D381-N385 WeakPolarHBondContact O-CA 3.48Å; D381-N385 VanDerWaalsContact O-CB 3.3Å; D381-N385 WeakPolarHBondContact O-CB 3.42Å; D381-N385 PolarHBondContact O-N 3.39Å; D381-N385 VanDerWaalsContact O-N 3.12Å; D381-N385 WeakPolarHBondContact OD1-CB 3.4Å; D381-N385 PolarHBondContact OD1-ND2 2.65Å; N385-D387 PolarHBondContact O-N 3.37Å; N385-K455 HydrophobicContact CB-CB 4.4Å; N385-K455 HydrophobicContact CB-CG 4.34Å
386	D	96.2	Very high	96.4	Very high	57 Å²	57	36.5 Å²	36.5	31%	0.305	20%	0.197	S	C	.	.			trans	-62.8	106.6	167.1	-178.1	-16.3	0	0	0	109.6	S388 K389 K455	D386-S388 VanDerWaalsContact CG-OG 3.31Å; D386-S388 PolarHBondContact O-N 2.88Å; D386-S388 VanDerWaalsContact OD1-CB 3.32Å; D386-S388 WeakPolarHBondContact OD1-CB 3.41Å; D386-S388 PolarHBondContact OD1-N 2.73Å; D386-S388 PolarHBondContact OD1-OG 3.5Å; D386-S388 PolarHBondContact OD2-OG 3.35Å; D386-K389 HydrophobicContact CB-CB 4.43Å; D386-K389 HydrophobicContact CB-CG 4.16Å; D386-K389 PolarHBondContact O-N 3Å; D386-K389 WeakPolarHBondContact OD2-CG 3.3Å; D386-K455 VanDerWaalsContact C-CE 3.42Å; D386-K455 WeakPolarHBondContact O-CE 3.35Å; D386-K455 PolarHBondContact O-NZ 3.19Å
387	D	96.1	Very high	96.3	Very high	103 Å²	103	36.5 Å²	36.5	55%	0.551	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-18.3	-177.2	-89.3	-28.4	0	0	0	113.7	N385 A452 G453 K455	N385-D387 PolarHBondContact O-N 3.37Å; D387-A452 CarbonylContact O-C 3.58Å; D387-A452 WeakPolarHBondContact O-CA 3.41Å; D387-A452 WeakPolarHBondContact O-CB 3.29Å; D387-G453 PolarHBondContact O-N 3.23Å; D387-K455 VanDerWaalsContact OD1-CG 3.28Å; D387-K455 WeakPolarHBondContact OD1-CG 3.35Å
388	S	96.9	Very high	96.4	Very high	65 Å²	65	39.1 Å²	39.1	46%	0.455	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-11.1	178	76.4	0	0	0	0	114.5	D386	D386-S388 VanDerWaalsContact CG-OG 3.31Å; D386-S388 PolarHBondContact O-N 2.88Å; D386-S388 VanDerWaalsContact OD1-CB 3.32Å; D386-S388 WeakPolarHBondContact OD1-CB 3.41Å; D386-S388 PolarHBondContact OD1-N 2.73Å; D386-S388 PolarHBondContact OD1-OG 3.5Å; D386-S388 PolarHBondContact OD2-OG 3.35Å
389	K	97.9	Very high	96.3	Very high	58 Å²	58	41 Å²	41	25%	0.252	21%	0.214	S	C	.	.			trans	-116.4	143.1	-173.8	-55.6	-59.5	-179.4	-168.4	0	112.4	D386 V391 P421 N422 V424 A452 K455	D386-K389 HydrophobicContact CB-CB 4.43Å; D386-K389 HydrophobicContact CB-CG 4.16Å; D386-K389 PolarHBondContact O-N 3Å; D386-K389 WeakPolarHBondContact OD2-CG 3.3Å; K389-V391 HydrophobicContact CB-CG2 4.09Å; K389-P421 PolarHBondContact NZ-O 2.95Å; K389-N422 CarbonylContact C-O 3.55Å; K389-N422 WeakPolarHBondContact CA-O 3.19Å; K389-V424 HydrophobicContact CB-CG2 4.14Å; K389-V424 HydrophobicContact CD-CG2 4.42Å; K389-V424 HydrophobicContact CG-CG2 4.12Å; K389-A452 WeakPolarHBondContact O-CA 3.05Å; K389-A452 PolarHBondContact O-N 3.27Å; K389-K455 PolarHBondContact O-NZ 3.31Å
390	D	98.6	Very high	96.2	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	128.6	158.1	-73.4	-29.6	0	0	0	108.7	N422 V423 V424 F449 P451 A452 A478 T479	D390-N422 PolarHBondContact N-O 2.77Å; D390-V423 HydrophobicContact CB-CG2 4.2Å; D390-V423 CarbonylContact O-C 3.51Å; D390-V423 WeakPolarHBondContact O-CA 3.46Å; D390-V424 PolarHBondContact O-N 3.45Å; D390-F449 HydrophobicContact CB-CE2 3.75Å; D390-F449 HydrophobicContact CB-CZ 3.77Å; D390-P451 VanDerWaalsContact OD1-CA 3.3Å; D390-P451 WeakPolarHBondContact OD1-CA 3.38Å; D390-A452 PolarHBondContact OD1-N 2.94Å; D390-A478 WeakPolarHBondContact OD2-CA 3.21Å; D390-T479 WeakPolarHBondContact OD1-CB 3.39Å; D390-T479 PolarHBondContact OD1-OG1 3.38Å; D390-T479 WeakPolarHBondContact OD2-CB 3.43Å; D390-T479 PolarHBondContact OD2-N 3.38Å; D390-T479 PolarHBondContact OD2-OG1 2.7Å
391	V	98.6	Very high	96.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	118.7	-176.3	-172.4	0	0	0	0	110.3	V384 K389 V424 A426 F449 S450	V384-V391 HydrophobicContact CG1-CB 4.47Å; V384-V391 HydrophobicContact CG1-CG1 4.3Å; V384-V391 HydrophobicContact CG2-CG1 4.39Å; K389-V391 HydrophobicContact CB-CG2 4.09Å; V391-V424 WeakPolarHBondContact CA-O 3.46Å; V391-V424 HydrophobicContact CG1-CB 4.3Å; V391-V424 HydrophobicContact CG1-CG1 4.44Å; V391-V424 HydrophobicContact CG2-CB 4.18Å; V391-A426 HydrophobicContact CG1-CB 4.13Å; V391-F449 CarbonylContact O-C 3.58Å; V391-F449 WeakPolarHBondContact O-CA 2.97Å; V391-S450 PolarHBondContact N-O 3.25Å; V391-S450 PolarHBondContact O-N 3.47Å
392	L	98.7	Very high	96.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.1	166.8	-169.2	73.9	0	0	0	107.5	Y410 L413 V424 I425 A426 I447 Y448 F449 F470 L474	L392-Y410 HydrophobicContact CD2-CE2 4.1Å; L392-Y410 PolarHBondContact O-OH 2.87Å; L392-L413 HydrophobicContact CD2-CD2 3.92Å; L392-V424 PolarHBondContact N-O 3.19Å; L392-I425 HydrophobicContact CB-CD1 3.92Å; L392-I425 HydrophobicContact CD2-CD1 4.23Å; L392-A426 PolarHBondContact O-N 2.8Å; L392-I447 HydrophobicContact CD1-CG2 3.89Å; L392-I447 HydrophobicContact CG-CG2 4.13Å; L392-Y448 WeakPolarHBondContact CA-O 3.33Å; L392-F449 HydrophobicContact CB-CD2 4.43Å; L392-F449 HydrophobicContact CD1-CB 3.97Å; L392-F449 HydrophobicContact CD1-CD2 4.18Å; L392-F470 HydrophobicContact CD2-CD1 3.94Å; L392-F470 HydrophobicContact CD2-CE1 4.49Å; L392-L474 HydrophobicContact CB-CD2 4.47Å; L392-L474 HydrophobicContact CD2-CD1 4.38Å
393	I	98.6	Very high	96.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128.3	-177.3	-174.5	163.5	0	0	0	111.8	V375 F380 V384 F395 A426 M428 Y439 I447 Y448	V375-I393 HydrophobicContact CB-CD1 4.2Å; V375-I393 HydrophobicContact CG1-CD1 4.16Å; V375-I393 HydrophobicContact CG2-CD1 4.24Å; F380-I393 HydrophobicContact CD2-CD1 4.36Å; F380-I393 HydrophobicContact CE2-CD1 3.73Å; F380-I393 HydrophobicContact CZ-CD1 4.42Å; V384-I393 HydrophobicContact CG2-CD1 3.58Å; I393-F395 HydrophobicContact CD1-CE1 3.97Å; I393-F395 HydrophobicContact CD1-CZ 4.05Å; I393-F395 HydrophobicContact CG1-CE1 4.33Å; I393-F395 HydrophobicContact CG1-CZ 4.28Å; I393-F395 HydrophobicContact CG2-CE2 3.99Å; I393-F395 HydrophobicContact CG2-CZ 4.07Å; I393-A426 CarbonylContact C-O 3.49Å; I393-A426 VanDerWaalsContact CA-O 3.31Å; I393-A426 WeakPolarHBondContact CA-O 3.46Å; I393-A426 HydrophobicContact CB-CB 4.31Å; I393-A426 HydrophobicContact CG1-CB 4.25Å; I393-M428 HydrophobicContact CD1-CB 4.3Å; I393-Y439 HydrophobicContact CG2-CE1 4.2Å; I393-I447 WeakPolarHBondContact O-CA 2.99Å; I393-Y448 PolarHBondContact N-O 3.31Å; I393-Y448 PolarHBondContact O-N 3.23Å
394	E	98.6	Very high	96.3	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.019	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	123.4	169	-177.9	-169.6	-169.8	0	0	110.8	L406 Y410 A426 K427 M428 P445 I447	E394-L406 HydrophobicContact CG-CD2 4.46Å; E394-L406 WeakPolarHBondContact OE1-CD2 3.26Å; E394-Y410 HydrophobicContact CB-CD1 4.43Å; E394-Y410 HydrophobicContact CB-CE1 3.87Å; E394-Y410 HydrophobicContact CB-CE2 4.34Å; E394-Y410 PolarHBondContact N-OH 2.94Å; E394-A426 PolarHBondContact N-O 3.28Å; E394-K427 HydrophobicContact CB-CB 4.27Å; E394-K427 CarbonylContact O-C 3.55Å; E394-K427 VanDerWaalsContact O-CA 3.28Å; E394-K427 WeakPolarHBondContact O-CA 3.44Å; E394-M428 PolarHBondContact O-N 3.2Å; E394-P445 HydrophobicContact CG-CB 4.07Å; E394-I447 HydrophobicContact CB-CG1 4.38Å; E394-I447 HydrophobicContact CG-CG1 4.27Å
395	F	98.6	Very high	96.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	115.2	164.3	-60.3	-70.8	0	0	0	109.5	F380 I393 M428 A430 V435 Y439 V441 P445 T446 Y448	F380-F395 AromaticContact CE2-CE1 3.86Å; F380-F395 HydrophobicContact CE2-CE1 3.86Å; F380-F395 AromaticContact CE2-CZ 3.86Å; F380-F395 HydrophobicContact CE2-CZ 3.86Å; F380-F395 HydrophobicContact CZ-CZ 4.21Å; I393-F395 HydrophobicContact CD1-CE1 3.97Å; I393-F395 HydrophobicContact CD1-CZ 4.05Å; I393-F395 HydrophobicContact CG1-CE1 4.33Å; I393-F395 HydrophobicContact CG1-CZ 4.28Å; I393-F395 HydrophobicContact CG2-CE2 3.99Å; I393-F395 HydrophobicContact CG2-CZ 4.07Å; F395-M428 WeakPolarHBondContact CA-O 3.19Å; F395-M428 HydrophobicContact CD1-CB 4.03Å; F395-M428 HydrophobicContact CD1-CE 3.72Å; F395-M428 HydrophobicContact CD1-CG 4.46Å; F395-M428 HydrophobicContact CE1-CB 4.24Å; F395-M428 HydrophobicContact CE1-CE 3.42Å; F395-M428 VanDerWaalsContact CE1-CE 3.42Å; F395-M428 HydrophobicContact CE1-SD 4.16Å; F395-A430 HydrophobicContact CB-CB 3.95Å; F395-A430 HydrophobicContact CD1-CB 4.14Å; F395-A430 HydrophobicContact CG-CB 4.45Å; F395-V435 HydrophobicContact CD1-CG1 4.41Å; F395-V435 HydrophobicContact CD1-CG2 4.46Å; F395-V435 HydrophobicContact CE1-CG1 3.91Å; F395-V435 HydrophobicContact CZ-CG1 4.05Å; F395-Y439 AromaticContact CE2-CD1 3.65Å; F395-Y439 HydrophobicContact CE2-CD1 3.65Å; F395-Y439 HydrophobicContact CE2-CE1 4.43Å; F395-Y439 HydrophobicContact CE2-CG 4.07Å; F395-Y439 AromaticContact CZ-CD1 3.81Å; F395-Y439 HydrophobicContact CZ-CD1 3.81Å; F395-Y439 HydrophobicContact CZ-CE1 4.46Å; F395-Y439 AromaticContact CZ-CG 3.92Å; F395-Y439 HydrophobicContact CZ-CG 3.92Å; F395-V441 HydrophobicContact CB-CG1 4.26Å; F395-V441 HydrophobicContact CB-CG2 3.68Å; F395-V441 HydrophobicContact CD1-CG2 4.2Å; F395-V441 HydrophobicContact CD2-CG2 3.71Å; F395-V441 HydrophobicContact CE2-CG2 4.39Å; F395-V441 HydrophobicContact CG-CG2 3.59Å; F395-P445 WeakPolarHBondContact O-CA 2.98Å; F395-T446 WeakPolarHBondContact CB-O 3.19Å; F395-T446 HydrophobicContact CD2-CG2 4.47Å; F395-T446 PolarHBondContact N-O 3.39Å; F395-T446 PolarHBondContact O-N 3.5Å; F395-Y448 HydrophobicContact CD2-CD2 4.11Å; F395-Y448 AromaticContact CE2-CD2 3.84Å; F395-Y448 HydrophobicContact CE2-CD2 3.84Å
396	Y	97.9	Very high	96.4	Very high	52 Å²	52	48 Å²	48	20%	0.204	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	172	-176.4	75.9	-85.8	0	0	0	112.5	P398 K427 M428 D429 A430 F444	Y396-P398 HydrophobicContact CE2-CG 4.46Å; Y396-K427 HydrophobicContact CD1-CB 4.18Å; Y396-K427 HydrophobicContact CE1-CB 4.12Å; Y396-K427 HydrophobicContact CE1-CD 4.02Å; Y396-K427 HydrophobicContact CE1-CG 4.02Å; Y396-M428 WeakPolarHBondContact CD1-O 3.46Å; Y396-M428 VanDerWaalsContact CE1-C 3.41Å; Y396-M428 PolarHBondContact N-O 3.01Å; Y396-D429 HydrophobicContact CE1-CB 4.24Å; Y396-D429 HydrophobicContact CE2-CB 4.18Å; Y396-A430 PolarHBondContact O-N 2.63Å; Y396-F444 VanDerWaalsContact C-CD1 3.49Å
397	A	94.2	Very high	96.4	Very high	1 Å²	1	50 Å²	50	1%	0.008	25%	0.254	C	S	.	.			trans	-128.4	138.3	169.3	0	0	0	0	0	109.8	W399 C400 T431 F444	A397-W399 HydrophobicContact CB-CD2 4.15Å; A397-W399 HydrophobicContact CB-CH2 4.44Å; A397-W399 HydrophobicContact CB-CZ2 3.86Å; A397-W399 PolarHBondContact O-N 2.84Å; A397-W399 VanDerWaalsContact O-N 3.13Å; A397-C400 HydrophobicContact CB-CB 4.11Å; A397-C400 WeakPolarHBondContact O-CB 3.05Å; A397-C400 PolarHBondContact O-N 3.02Å; A397-C400 VanDerWaalsContact O-N 3.08Å; A397-T431 HydrophobicContact CB-CG2 3.49Å; A397-T431 VanDerWaalsContact CB-CG2 3.49Å; A397-F444 HydrophobicContact CB-CB 4.24Å; A397-F444 HydrophobicContact CB-CD1 3.9Å; A397-F444 HydrophobicContact CB-CD2 3.64Å; A397-F444 HydrophobicContact CB-CE1 4.11Å; A397-F444 HydrophobicContact CB-CE2 3.88Å; A397-F444 HydrophobicContact CB-CG 3.65Å; A397-F444 HydrophobicContact CB-CZ 4.11Å
398	P	93.1	Very high	96.5	Very high	64 Å²	64	48.9 Å²	48.9	42%	0.416	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.9	-175.6	-27.4	35.4	0	0	0	114.8	Y396 K404 D429	Y396-P398 HydrophobicContact CE2-CG 4.46Å; P398-K404 WeakPolarHBondContact O-CE 3.31Å; P398-K404 PolarHBondContact O-NZ 2.8Å; P398-D429 WeakPolarHBondContact CD-OD2 3.35Å; P398-D429 WeakPolarHBondContact CG-OD2 3.36Å
399	W	88.3	Confident	96.6	Very high	179 Å²	179	48.7 Å²	48.7	68%	0.678	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-7.1	-179.1	49	-99.4	0	0	0	113.6	A397 G401 F444	A397-W399 HydrophobicContact CB-CD2 4.15Å; A397-W399 HydrophobicContact CB-CH2 4.44Å; A397-W399 HydrophobicContact CB-CZ2 3.86Å; A397-W399 PolarHBondContact O-N 2.84Å; A397-W399 VanDerWaalsContact O-N 3.13Å; W399-G401 PolarHBondContact O-N 3.17Å; W399-F444 AromaticContact CH2-CD2 3.85Å; W399-F444 HydrophobicContact CH2-CD2 3.85Å; W399-F444 HydrophobicContact CH2-CE2 4.15Å; W399-F444 HydrophobicContact CZ2-CD2 4.04Å; W399-F444 AromaticContact CZ2-CE2 3.96Å; W399-F444 HydrophobicContact CZ2-CE2 3.96Å
400	C	94.5	Very high	96.6	Very high	9 Å²	9	46 Å²	46	6%	0.061	23%	0.232	C	C	.	.			trans	-78.8	116.9	-175.8	157.4	0	0	0	0	112	A397 H402 C403 K404 F444	A397-C400 HydrophobicContact CB-CB 4.11Å; A397-C400 WeakPolarHBondContact O-CB 3.05Å; A397-C400 PolarHBondContact O-N 3.02Å; A397-C400 VanDerWaalsContact O-N 3.08Å; C400-H402 PolarHBondContact O-N 2.81Å; C400-C403 HydrophobicContact CB-CB 3.77Å; C400-C403 WeakPolarHBondContact CB-SG 3.48Å; C400-C403 WeakPolarHBondContact O-CB 3.43Å; C400-C403 PolarHBondContact O-N 3.29Å; C400-C403 WeakPolarHBondContact SG-CB 3.3Å; C400-C403 PolarHBondContact SG-N 3Å; C400-C403 CovalentContact SG-SG 2.07Å; C400-C403 PolarHBondContact SG-SG 3.39Å; C400-K404 PolarHBondContact O-N 3.14Å; C400-K404 VanDerWaalsContact O-N 3.16Å; C400-F444 HydrophobicContact CB-CB 4.05Å
401	G	94.9	Very high	96.6	Very high	43 Å²	43	51.3 Å²	51.3	44%	0.443	26%	0.255	S	S	.	.	H	α-helix	trans	-63.9	-38.2	179.3	0	0	0	0	0	114	W399 C403 K404 N405	W399-G401 PolarHBondContact O-N 3.17Å; G401-C403 VanDerWaalsContact C-N 3.28Å; G401-C403 PolarHBondContact O-N 3.41Å; G401-K404 PolarHBondContact O-N 3.5Å; G401-N405 PolarHBondContact O-N 3.37Å; G401-N405 VanDerWaalsContact O-N 3.1Å
402	H	95.4	Very high	96.6	Very high	127 Å²	127	55.2 Å²	55.2	59%	0.588	27%	0.273	S	S	*	.	H	α-helix	trans	-64	-34	175.9	-67	-60.6	0	0	0	112.8	C400 N405 L406	C400-H402 PolarHBondContact O-N 2.81Å; H402-N405 PolarHBondContact O-N 3Å; H402-L406 PolarHBondContact O-N 2.03Å; H402-L406 VanDerWaalsContact O-N 3.1Å
403	C	96.3	Very high	96.5	Very high	6 Å²	6	55.2 Å²	55.2	4%	0.041	27%	0.273	C	S	.	.	H	α-helix	trans	-69.6	-44.4	178.3	-50.7	0	0	0	0	110.4	C400 G401 N405 L406 E407 P445	C400-C403 HydrophobicContact CB-CB 3.77Å; C400-C403 WeakPolarHBondContact CB-SG 3.48Å; C400-C403 WeakPolarHBondContact O-CB 3.43Å; C400-C403 PolarHBondContact O-N 3.29Å; C400-C403 WeakPolarHBondContact SG-CB 3.3Å; C400-C403 PolarHBondContact SG-N 3Å; C400-C403 CovalentContact SG-SG 2.07Å; C400-C403 PolarHBondContact SG-SG 3.39Å; G401-C403 VanDerWaalsContact C-N 3.28Å; G401-C403 PolarHBondContact O-N 3.41Å; C403-N405 VanDerWaalsContact C-N 3.27Å; C403-N405 PolarHBondContact O-N 3.1Å; C403-L406 PolarHBondContact O-N 2.86Å; C403-E407 PolarHBondContact O-N 2.62Å; C403-P445 VanDerWaalsContact SG-CD 3.58Å; C403-P445 VanDerWaalsContact SG-N 3.44Å
404	K	96.2	Very high	96.5	Very high	122 Å²	122	55.2 Å²	55.2	53%	0.53	27%	0.274	S	S	.	.	H	α-helix	trans	-59.2	-37.3	173.6	-67.6	179.9	-178.1	-179.8	0	112.8	P398 C400 G401 L406 P408	P398-K404 WeakPolarHBondContact O-CE 3.31Å; P398-K404 PolarHBondContact O-NZ 2.8Å; C400-K404 PolarHBondContact O-N 3.14Å; C400-K404 VanDerWaalsContact O-N 3.16Å; G401-K404 PolarHBondContact O-N 3.5Å; K404-L406 VanDerWaalsContact C-N 3.35Å; K404-P408 WeakPolarHBondContact O-CD 3.34Å
405	N	96.8	Very high	96.4	Very high	114 Å²	114	59.8 Å²	59.8	61%	0.61	30%	0.295	S	S	*	.	H	α-helix	trans	-71.6	-28.9	176	-70.9	-13.8	0	0	0	113.1	G401 H402 C403	G401-N405 PolarHBondContact O-N 3.37Å; G401-N405 VanDerWaalsContact O-N 3.1Å; H402-N405 PolarHBondContact O-N 3Å; C403-N405 VanDerWaalsContact C-N 3.27Å; C403-N405 PolarHBondContact O-N 3.1Å
406	L	97.9	Very high	96.3	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-79.2	-35.6	177.5	175.5	56.2	0	0	0	111.8	E394 H402 C403 K404 K409 Y410 P445 I447 R465 F470	E394-L406 HydrophobicContact CG-CD2 4.46Å; E394-L406 WeakPolarHBondContact OE1-CD2 3.26Å; H402-L406 PolarHBondContact O-N 2.03Å; H402-L406 VanDerWaalsContact O-N 3.1Å; C403-L406 PolarHBondContact O-N 2.86Å; K404-L406 VanDerWaalsContact C-N 3.35Å; L406-K409 HydrophobicContact CD1-CB 4.39Å; L406-K409 WeakPolarHBondContact O-CA 3.19Å; L406-K409 WeakPolarHBondContact O-CB 2.96Å; L406-K409 PolarHBondContact O-N 3.02Å; L406-Y410 HydrophobicContact CD1-CD2 4.34Å; L406-Y410 PolarHBondContact O-N 3.21Å; L406-P445 HydrophobicContact CD2-CB 4.27Å; L406-P445 HydrophobicContact CD2-CG 3.92Å; L406-I447 HydrophobicContact CD2-CD1 3.85Å; L406-R465 HydrophobicContact CD1-CB 4.27Å; L406-F470 HydrophobicContact CD1-CE2 3.72Å; L406-F470 HydrophobicContact CD1-CZ 3.88Å
407	E	97.4	Very high	96.2	Very high	97 Å²	97	59.6 Å²	59.6	45%	0.453	30%	0.295	S	S	.	.	H	α-helix	trans	-44	-52	-176.5	-179.5	168.2	-144.9	0	0	115.2	C403 K409 Y410 K411 K427	C403-E407 PolarHBondContact O-N 2.62Å; E407-K409 VanDerWaalsContact C-N 3.31Å; E407-K409 PolarHBondContact O-N 2.85Å; E407-Y410 PolarHBondContact O-N 2.9Å; E407-K411 WeakPolarHBondContact O-CB 3.33Å; E407-K411 PolarHBondContact O-N 3.15Å; E407-K427 IonicContact OE1-NZ 3.38Å; E407-K427 PolarHBondContact OE1-NZ 3.38Å
408	P	98.1	Very high	96.1	Very high	81 Å²	81	62.9 Å²	62.9	53%	0.526	32%	0.322	S	S	.	.	H	α-helix	trans	-63.8	-36	179.4	23.7	-33.6	0	0	0	112.9	K404 E412	K404-P408 WeakPolarHBondContact O-CD 3.34Å; P408-E412 PolarHBondContact O-N 2.96Å
409	K	98.4	Very high	96	Very high	60 Å²	60	65.7 Å²	65.7	26%	0.261	33%	0.334	S	S	.	.	H	α-helix	trans	-73	-40	179.1	-57.3	178.6	-175	-174	0	111.3	L406 E407 K411 E412 L413 R465 E466 V467	L406-K409 HydrophobicContact CD1-CB 4.39Å; L406-K409 WeakPolarHBondContact O-CA 3.19Å; L406-K409 WeakPolarHBondContact O-CB 2.96Å; L406-K409 PolarHBondContact O-N 3.02Å; E407-K409 VanDerWaalsContact C-N 3.31Å; E407-K409 PolarHBondContact O-N 2.85Å; K409-K411 VanDerWaalsContact C-N 3.31Å; K409-E412 PolarHBondContact O-N 3.02Å; K409-L413 PolarHBondContact O-N 3.13Å; K409-R465 WeakPolarHBondContact CD-O 3.23Å; K409-E466 WeakPolarHBondContact CE-OE2 3.38Å; K409-E466 IonicContact NZ-OE1 2.64Å; K409-E466 PolarHBondContact NZ-OE1 3.06Å; K409-E466 IonicContact NZ-OE2 2.82Å; K409-E466 PolarHBondContact NZ-OE2 3.39Å; K409-V467 HydrophobicContact CB-CG2 3.92Å; K409-V467 WeakPolarHBondContact O-CG2 3.33Å
410	Y	98.3	Very high	96.3	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.008	30%	0.304	C	S	.	.	H	α-helix	trans	-68.6	-34.3	177.9	-153.1	-106	0	0	0	111.5	V372 L392 E394 L406 E407 L413 G414 I425 A426 F470	V372-Y410 HydrophobicContact CG1-CD1 4Å; V372-Y410 HydrophobicContact CG1-CE1 4.02Å; V372-Y410 HydrophobicContact CG2-CD1 4.24Å; V372-Y410 WeakPolarHBondContact CG2-O 3.25Å; L392-Y410 HydrophobicContact CD2-CE2 4.1Å; L392-Y410 PolarHBondContact O-OH 2.87Å; E394-Y410 HydrophobicContact CB-CD1 4.43Å; E394-Y410 HydrophobicContact CB-CE1 3.87Å; E394-Y410 HydrophobicContact CB-CE2 4.34Å; E394-Y410 PolarHBondContact N-OH 2.94Å; L406-Y410 HydrophobicContact CD1-CD2 4.34Å; L406-Y410 PolarHBondContact O-N 3.21Å; E407-Y410 PolarHBondContact O-N 2.9Å; Y410-L413 HydrophobicContact CD2-CD2 4.2Å; Y410-L413 HydrophobicContact CE2-CD2 4.14Å; Y410-L413 WeakPolarHBondContact O-CB 3.36Å; Y410-L413 PolarHBondContact O-N 2.61Å; Y410-G414 PolarHBondContact O-N 2.7Å; Y410-I425 HydrophobicContact CD1-CG2 3.9Å; Y410-I425 HydrophobicContact CE1-CG2 3.38Å; Y410-I425 HydrophobicContact CE2-CG2 4.37Å; Y410-A426 VanDerWaalsContact CE1-O 3.31Å; Y410-A426 WeakPolarHBondContact CE1-O 3.33Å; Y410-A426 PolarHBondContact OH-O 2.89Å; Y410-F470 HydrophobicContact CD2-CE2 4.24Å; Y410-F470 HydrophobicContact CD2-CZ 4.18Å; Y410-F470 HydrophobicContact CE2-CE1 4.41Å; Y410-F470 HydrophobicContact CE2-CZ 4.36Å
411	K	98	Very high	96.4	Very high	113 Å²	113	61 Å²	61	49%	0.491	33%	0.326	S	S	.	.	H	α-helix	trans	-63.6	-48.2	169.4	-172.7	-176.8	175.5	-166.6	0	112.1	P371 E407 K409 L413 G414 E415	P371-K411 HydrophobicContact CG-CG 4.29Å; E407-K411 WeakPolarHBondContact O-CB 3.33Å; E407-K411 PolarHBondContact O-N 3.15Å; K409-K411 VanDerWaalsContact C-N 3.31Å; K411-L413 VanDerWaalsContact C-N 3.28Å; K411-L413 PolarHBondContact O-N 3.35Å; K411-G414 PolarHBondContact O-N 2.7Å; K411-G414 VanDerWaalsContact O-N 3.11Å; K411-E415 VanDerWaalsContact CE-OE1 3.23Å; K411-E415 WeakPolarHBondContact CE-OE1 3.4Å; K411-E415 IonicContact NZ-OE1 3.99Å; K411-E415 WeakPolarHBondContact O-CG 3.4Å; K411-E415 PolarHBondContact O-N 3.37Å
412	E	97.8	Very high	96.4	Very high	81 Å²	81	61.1 Å²	61.1	38%	0.379	32%	0.316	S	S	.	.	H	α-helix	trans	-58.6	-40.2	176.1	-173.6	-170.4	153.2	0	0	111.8	P408 K409 E415 K416 V467	P408-E412 PolarHBondContact O-N 2.96Å; K409-E412 PolarHBondContact O-N 3.02Å; E412-E415 PolarHBondContact O-N 2.76Å; E412-K416 HydrophobicContact CG-CD 4.43Å; E412-K416 WeakPolarHBondContact O-CG 3.47Å; E412-K416 PolarHBondContact O-N 2.79Å; E412-K416 WeakPolarHBondContact OE1-CE 2.86Å; E412-K416 IonicContact OE1-NZ 3.92Å; E412-V467 HydrophobicContact CB-CG2 4.21Å; E412-V467 HydrophobicContact CG-CG2 4.36Å
413	L	97.8	Very high	96.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.1	-47.9	173.1	174.8	67.7	0	0	0	111.6	L392 K409 Y410 K411 E415 K416 L417 I425 F470 I471 L474	L392-L413 HydrophobicContact CD2-CD2 3.92Å; K409-L413 PolarHBondContact O-N 3.13Å; Y410-L413 HydrophobicContact CD2-CD2 4.2Å; Y410-L413 HydrophobicContact CE2-CD2 4.14Å; Y410-L413 WeakPolarHBondContact O-CB 3.36Å; Y410-L413 PolarHBondContact O-N 2.61Å; K411-L413 VanDerWaalsContact C-N 3.28Å; K411-L413 PolarHBondContact O-N 3.35Å; L413-E415 VanDerWaalsContact C-N 3.32Å; L413-E415 PolarHBondContact O-N 3.38Å; L413-K416 PolarHBondContact O-N 3.47Å; L413-L417 HydrophobicContact CD1-CD1 3.71Å; L413-L417 HydrophobicContact CD1-CG 4.42Å; L413-L417 HydrophobicContact CG-CD1 4.17Å; L413-L417 PolarHBondContact O-N 2.81Å; L413-L417 VanDerWaalsContact O-N 3.14Å; L413-I425 HydrophobicContact CD2-CD1 4.1Å; L413-I425 HydrophobicContact CD2-CG2 4.36Å; L413-I425 HydrophobicContact CG-CD1 4.25Å; L413-I425 HydrophobicContact CG-CG1 4.34Å; L413-F470 HydrophobicContact CD1-CB 3.8Å; L413-F470 HydrophobicContact CD2-CB 3.53Å; L413-F470 HydrophobicContact CD2-CD1 4.33Å; L413-F470 HydrophobicContact CD2-CD2 3.96Å; L413-F470 HydrophobicContact CD2-CG 3.7Å; L413-F470 HydrophobicContact CG-CB 4.27Å; L413-I471 HydrophobicContact CD1-CD1 3.62Å; L413-I471 HydrophobicContact CD1-CG1 3.93Å; L413-L474 HydrophobicContact CD1-CD1 4.39Å
414	G	97.5	Very high	96.6	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-58.8	-42.2	175.6	0	0	0	0	0	112.7	P371 Y410 K411 L417 A418	P371-G414 WeakPolarHBondContact O-CA 3.4Å; Y410-G414 PolarHBondContact O-N 2.7Å; K411-G414 PolarHBondContact O-N 2.7Å; K411-G414 VanDerWaalsContact O-N 3.11Å; G414-L417 CarbonylContact O-C 3.52Å; G414-L417 PolarHBondContact O-N 2.78Å; G414-A418 PolarHBondContact O-N 3.14Å
415	E	97.1	Very high	96.7	Very high	100 Å²	100	51.1 Å²	51.1	47%	0.467	27%	0.274	S	S	.	.	H	α-helix	trans	-64.6	-41.9	177.5	-70.1	171.5	176.1	0	0	111.7	P371 K411 E412 L413 L417 A418	P371-E415 HydrophobicContact CB-CB 4.43Å; P371-E415 HydrophobicContact CB-CG 3.73Å; P371-E415 HydrophobicContact CG-CG 3.74Å; K411-E415 VanDerWaalsContact CE-OE1 3.23Å; K411-E415 WeakPolarHBondContact CE-OE1 3.4Å; K411-E415 IonicContact NZ-OE1 3.99Å; K411-E415 WeakPolarHBondContact O-CG 3.4Å; K411-E415 PolarHBondContact O-N 3.37Å; E412-E415 PolarHBondContact O-N 2.76Å; L413-E415 VanDerWaalsContact C-N 3.32Å; L413-E415 PolarHBondContact O-N 3.38Å; E415-L417 PolarHBondContact O-N 3.32Å; E415-A418 WeakPolarHBondContact O-CB 3.37Å; E415-A418 PolarHBondContact O-N 3.03Å
416	K	96	Very high	96.8	Very high	43 Å²	43	45.7 Å²	45.7	19%	0.187	25%	0.245	C	C	.	.	H	α-helix	trans	-66.9	-20.6	176.4	-76.8	175.8	-179.8	-83.6	0	113.4	E412 L413 V467 P485 E487	E412-K416 HydrophobicContact CG-CD 4.43Å; E412-K416 WeakPolarHBondContact O-CG 3.47Å; E412-K416 PolarHBondContact O-N 2.79Å; E412-K416 WeakPolarHBondContact OE1-CE 2.86Å; E412-K416 IonicContact OE1-NZ 3.92Å; L413-K416 PolarHBondContact O-N 3.47Å; K416-V467 HydrophobicContact CD-CG1 3.88Å; K416-P485 WeakPolarHBondContact O-CD 3.32Å; K416-E487 IonicContact NZ-OE1 3.75Å; K416-E487 PolarHBondContact NZ-OE1 3.47Å
417	L	95.4	Very high	96.8	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.026	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	8.3	-179.2	-65.4	174.7	0	0	0	113.2	L413 G414 E415 D419 D420 V423 I425 I471 L474 L482 V484	L413-L417 HydrophobicContact CD1-CD1 3.71Å; L413-L417 HydrophobicContact CD1-CG 4.42Å; L413-L417 HydrophobicContact CG-CD1 4.17Å; L413-L417 PolarHBondContact O-N 2.81Å; L413-L417 VanDerWaalsContact O-N 3.14Å; G414-L417 CarbonylContact O-C 3.52Å; G414-L417 PolarHBondContact O-N 2.78Å; E415-L417 PolarHBondContact O-N 3.32Å; L417-D419 PolarHBondContact O-N 2.83Å; L417-D420 WeakPolarHBondContact O-CB 3.45Å; L417-D420 PolarHBondContact O-N 2.93Å; L417-V423 HydrophobicContact CD1-CG1 4.29Å; L417-I425 HydrophobicContact CB-CG1 4.43Å; L417-I425 HydrophobicContact CD1-CD1 3.76Å; L417-I425 HydrophobicContact CD1-CG1 4.01Å; L417-I471 HydrophobicContact CD1-CD1 4.29Å; L417-I471 HydrophobicContact CD2-CD1 4.12Å; L417-I471 HydrophobicContact CG-CD1 4.22Å; L417-L474 HydrophobicContact CD1-CD1 3.48Å; L417-L474 VanDerWaalsContact CD1-CD1 3.48Å; L417-L482 HydrophobicContact CD2-CD1 4.05Å; L417-L482 HydrophobicContact CD2-CD2 3.78Å; L417-L482 HydrophobicContact CD2-CG 3.74Å; L417-V484 HydrophobicContact CD2-CG2 3.87Å
418	A	92.4	Very high	96.9	Very high	69 Å²	69	42.8 Å²	42.8	57%	0.57	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.4	-176.7	0	0	0	0	0	113.4	G414 E415	G414-A418 PolarHBondContact O-N 3.14Å; E415-A418 WeakPolarHBondContact O-CB 3.37Å; E415-A418 PolarHBondContact O-N 3.03Å
419	D	92.2	Very high	96.8	Very high	124 Å²	124	39.4 Å²	39.4	66%	0.663	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-5.5	179	-63.7	-35.5	0	0	0	113.3	L417 P421	L417-D419 PolarHBondContact O-N 2.83Å; D419-P421 WeakPolarHBondContact O-CD 3.46Å
420	D	94.9	Very high	96.7	Very high	9 Å²	9	37.4 Å²	37.4	5%	0.048	20%	0.203	C	C	.	.			trans	-78.4	117.6	176.7	-167.4	-54.2	0	0	0	109.9	L417 N422 V423 L482 V483	L417-D420 WeakPolarHBondContact O-CB 3.45Å; L417-D420 PolarHBondContact O-N 2.93Å; D420-N422 PolarHBondContact O-N 2.85Å; D420-N422 WeakPolarHBondContact OD1-CA 3.43Å; D420-N422 WeakPolarHBondContact OD1-CB 3.41Å; D420-N422 PolarHBondContact OD1-N 3.02Å; D420-V423 HydrophobicContact CB-CB 4.47Å; D420-V423 PolarHBondContact OD1-N 2.85Å; D420-V423 VanDerWaalsContact OD1-N 3.14Å; D420-L482 WeakPolarHBondContact OD2-CA 3.36Å; D420-V483 HydrophobicContact CB-CB 4.17Å; D420-V483 PolarHBondContact OD2-N 3.04Å
421	P	95	Very high	96.1	Very high	79 Å²	79	39.8 Å²	39.8	51%	0.513	22%	0.218	S	C	.	.	S	Bend	trans	-76.2	-11.9	-176.6	31.6	-35.4	0	0	0	113.1	K389 D419	K389-P421 PolarHBondContact NZ-O 2.95Å; D419-P421 WeakPolarHBondContact O-CD 3.46Å
422	N	96.3	Very high	95.7	Very high	46 Å²	46	35.5 Å²	35.5	25%	0.246	20%	0.203	C	C	.	.	S	Bend	trans	-107.3	-19.9	-171.5	-57.1	-57.7	0	0	0	113.2	K389 D390 D420 N480	K389-N422 CarbonylContact C-O 3.55Å; K389-N422 WeakPolarHBondContact CA-O 3.19Å; D390-N422 PolarHBondContact N-O 2.77Å; D420-N422 PolarHBondContact O-N 2.85Å; D420-N422 WeakPolarHBondContact OD1-CA 3.43Å; D420-N422 WeakPolarHBondContact OD1-CB 3.41Å; D420-N422 PolarHBondContact OD1-N 3.02Å; N422-N480 HydrophobicContact CB-CB 4.24Å
423	V	97.4	Very high	95.4	Very high	11 Å²	11	31.8 Å²	31.8	7%	0.067	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.4	-176.5	-179	0	0	0	0	111.7	D390 L417 D420 I425 L474 L482	D390-V423 HydrophobicContact CB-CG2 4.2Å; D390-V423 CarbonylContact O-C 3.51Å; D390-V423 WeakPolarHBondContact O-CA 3.46Å; L417-V423 HydrophobicContact CD1-CG1 4.29Å; D420-V423 HydrophobicContact CB-CB 4.47Å; D420-V423 PolarHBondContact OD1-N 2.85Å; D420-V423 VanDerWaalsContact OD1-N 3.14Å; V423-I425 HydrophobicContact CG1-CD1 3.94Å; V423-L474 HydrophobicContact CG1-CD1 4.44Å; V423-L482 HydrophobicContact CB-CD1 4.41Å; V423-L482 HydrophobicContact CG2-CD1 3.56Å
424	V	98.2	Very high	95	Very high	28 Å²	28	34.1 Å²	34.1	17%	0.17	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.3	172.1	-179.7	0	0	0	0	109.3	K373 I383 K389 D390 V391 L392 A426	K373-V424 HydrophobicContact CB-CG1 4.18Å; K373-V424 HydrophobicContact CG-CG1 3.64Å; I383-V424 HydrophobicContact CG2-CG1 4.28Å; K389-V424 HydrophobicContact CB-CG2 4.14Å; K389-V424 HydrophobicContact CD-CG2 4.42Å; K389-V424 HydrophobicContact CG-CG2 4.12Å; D390-V424 PolarHBondContact O-N 3.45Å; V391-V424 WeakPolarHBondContact CA-O 3.46Å; V391-V424 HydrophobicContact CG1-CB 4.3Å; V391-V424 HydrophobicContact CG1-CG1 4.44Å; V391-V424 HydrophobicContact CG2-CB 4.18Å; L392-V424 PolarHBondContact N-O 3.19Å; V424-A426 HydrophobicContact CG1-CB 4.45Å
425	I	98.6	Very high	94.7	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.9	169.6	-53.1	-54.2	0	0	0	107.7	V372 K373 L392 Y410 L413 L417 V423 L474	V372-I425 CarbonylContact C-O 3.6Å; V372-I425 WeakPolarHBondContact CA-O 3.36Å; V372-I425 HydrophobicContact CG1-CG2 4.31Å; V372-I425 HydrophobicContact CG2-CG2 4.03Å; K373-I425 PolarHBondContact N-O 2.88Å; L392-I425 HydrophobicContact CB-CD1 3.92Å; L392-I425 HydrophobicContact CD2-CD1 4.23Å; Y410-I425 HydrophobicContact CD1-CG2 3.9Å; Y410-I425 HydrophobicContact CE1-CG2 3.38Å; Y410-I425 HydrophobicContact CE2-CG2 4.37Å; L413-I425 HydrophobicContact CD2-CD1 4.1Å; L413-I425 HydrophobicContact CD2-CG2 4.36Å; L413-I425 HydrophobicContact CG-CD1 4.25Å; L413-I425 HydrophobicContact CG-CG1 4.34Å; L417-I425 HydrophobicContact CB-CG1 4.43Å; L417-I425 HydrophobicContact CD1-CD1 3.76Å; L417-I425 HydrophobicContact CD1-CG1 4.01Å; V423-I425 HydrophobicContact CG1-CD1 3.94Å; I425-L474 HydrophobicContact CD1-CD1 4.17Å
426	A	98.6	Very high	94.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	153.6	-170.7	0	0	0	0	0	112.5	K373 V375 V391 L392 I393 E394 Y410 V424	K373-A426 HydrophobicContact CB-CB 4.26Å; K373-A426 CarbonylContact O-C 3.53Å; K373-A426 WeakPolarHBondContact O-CA 3.39Å; V375-A426 HydrophobicContact CG2-CB 3.8Å; V391-A426 HydrophobicContact CG1-CB 4.13Å; L392-A426 PolarHBondContact O-N 2.8Å; I393-A426 CarbonylContact C-O 3.49Å; I393-A426 VanDerWaalsContact CA-O 3.31Å; I393-A426 WeakPolarHBondContact CA-O 3.46Å; I393-A426 HydrophobicContact CB-CB 4.31Å; I393-A426 HydrophobicContact CG1-CB 4.25Å; E394-A426 PolarHBondContact N-O 3.28Å; Y410-A426 VanDerWaalsContact CE1-O 3.31Å; Y410-A426 WeakPolarHBondContact CE1-O 3.33Å; Y410-A426 PolarHBondContact OH-O 2.89Å; V424-A426 HydrophobicContact CG1-CB 4.45Å
427	K	98.5	Very high	93.7	Very high	39 Å²	39	36 Å²	36	17%	0.17	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	146.9	173	70.8	179.2	-176.4	174.2	0	111.8	V372 K373 V375 E394 Y396 E407	V372-K427 HydrophobicContact CG1-CB 4.05Å; V372-K427 HydrophobicContact CG1-CD 4.1Å; V372-K427 HydrophobicContact CG1-CG 3.85Å; K373-K427 PolarHBondContact O-N 3.09Å; V375-K427 PolarHBondContact N-O 3.3Å; E394-K427 HydrophobicContact CB-CB 4.27Å; E394-K427 CarbonylContact O-C 3.55Å; E394-K427 VanDerWaalsContact O-CA 3.28Å; E394-K427 WeakPolarHBondContact O-CA 3.44Å; Y396-K427 HydrophobicContact CD1-CB 4.18Å; Y396-K427 HydrophobicContact CE1-CB 4.12Å; Y396-K427 HydrophobicContact CE1-CD 4.02Å; Y396-K427 HydrophobicContact CE1-CG 4.02Å; E407-K427 IonicContact OE1-NZ 3.38Å; E407-K427 PolarHBondContact OE1-NZ 3.38Å
428	M	98.3	Very high	93.5	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	133.2	176.8	-177.9	166.1	102.7	0	0	110.9	V375 F380 I393 E394 F395 Y396 A430 N433 V435	V375-M428 HydrophobicContact CB-CB 4.12Å; V375-M428 HydrophobicContact CG1-CB 4.38Å; V375-M428 HydrophobicContact CG1-SD 3.93Å; V375-M428 WeakPolarHBondContact O-CA 3.4Å; V375-M428 WeakPolarHBondContact O-CB 3.41Å; V375-M428 VanDerWaalsContact O-CG 3.25Å; V375-M428 WeakPolarHBondContact O-CG 3.47Å; F380-M428 HydrophobicContact CD2-CE 4.32Å; F380-M428 HydrophobicContact CD2-SD 3.7Å; F380-M428 HydrophobicContact CE2-CE 4.39Å; F380-M428 HydrophobicContact CE2-SD 4.17Å; I393-M428 HydrophobicContact CD1-CB 4.3Å; E394-M428 PolarHBondContact O-N 3.2Å; F395-M428 WeakPolarHBondContact CA-O 3.19Å; F395-M428 HydrophobicContact CD1-CB 4.03Å; F395-M428 HydrophobicContact CD1-CE 3.72Å; F395-M428 HydrophobicContact CD1-CG 4.46Å; F395-M428 HydrophobicContact CE1-CB 4.24Å; F395-M428 HydrophobicContact CE1-CE 3.42Å; F395-M428 VanDerWaalsContact CE1-CE 3.42Å; F395-M428 HydrophobicContact CE1-SD 4.16Å; Y396-M428 WeakPolarHBondContact CD1-O 3.46Å; Y396-M428 VanDerWaalsContact CE1-C 3.41Å; Y396-M428 PolarHBondContact N-O 3.01Å; M428-A430 PolarHBondContact O-N 2.07Å; M428-A430 VanDerWaalsContact O-N 3.17Å; M428-N433 HydrophobicContact CE-CB 4.15Å; M428-N433 HydrophobicContact CG-CB 4.11Å; M428-N433 HydrophobicContact SD-CB 4.07Å; M428-V435 HydrophobicContact CE-CB 4.1Å; M428-V435 HydrophobicContact CE-CG1 4.24Å; M428-V435 HydrophobicContact CE-CG2 3.62Å
429	D	97.3	Very high	93.6	Very high	11 Å²	11	35 Å²	35	6%	0.059	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	102.7	166.8	-175.5	-19.6	0	0	0	108.8	Y396 P398 T431 A432 N433	Y396-D429 HydrophobicContact CE1-CB 4.24Å; Y396-D429 HydrophobicContact CE2-CB 4.18Å; P398-D429 WeakPolarHBondContact CD-OD2 3.35Å; P398-D429 WeakPolarHBondContact CG-OD2 3.36Å; D429-T431 PolarHBondContact O-N 2.78Å; D429-T431 WeakPolarHBondContact OD1-CA 3.31Å; D429-T431 WeakPolarHBondContact OD1-CB 3.31Å; D429-T431 PolarHBondContact OD1-N 3.06Å; D429-T431 PolarHBondContact OD1-OG1 3.08Å; D429-A432 HydrophobicContact CB-CB 4.23Å; D429-A432 PolarHBondContact O-N 2.98Å; D429-A432 PolarHBondContact OD1-N 3.44Å; D429-N433 WeakPolarHBondContact O-CB 3.28Å; D429-N433 PolarHBondContact O-N 2.83Å; D429-N433 VanDerWaalsContact O-N 3.13Å; D429-N433 PolarHBondContact O-ND2 3.48Å
430	A	94.8	Very high	93.6	Very high	18 Å²	18	35.9 Å²	35.9	15%	0.149	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	3.3	-178.4	0	0	0	0	0	113.2	F395 Y396 M428 V435 V441 F444	F395-A430 HydrophobicContact CB-CB 3.95Å; F395-A430 HydrophobicContact CD1-CB 4.14Å; F395-A430 HydrophobicContact CG-CB 4.45Å; Y396-A430 PolarHBondContact O-N 2.63Å; M428-A430 PolarHBondContact O-N 2.07Å; M428-A430 VanDerWaalsContact O-N 3.17Å; A430-V435 HydrophobicContact CB-CG2 3.66Å; A430-V441 HydrophobicContact CB-CG1 4.29Å; A430-V441 HydrophobicContact CB-CG2 4.44Å; A430-F444 HydrophobicContact CB-CE1 3.86Å
431	T	87.1	Confident	93.6	Very high	52 Å²	52	37.5 Å²	37.5	32%	0.319	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-27.8	169.4	73.6	0	0	0	0	112	K360 A397 D429 F444	K360-T431 PolarHBondContact NZ-O 3.39Å; A397-T431 HydrophobicContact CB-CG2 3.49Å; A397-T431 VanDerWaalsContact CB-CG2 3.49Å; D429-T431 PolarHBondContact O-N 2.78Å; D429-T431 WeakPolarHBondContact OD1-CA 3.31Å; D429-T431 WeakPolarHBondContact OD1-CB 3.31Å; D429-T431 PolarHBondContact OD1-N 3.06Å; D429-T431 PolarHBondContact OD1-OG1 3.08Å; T431-F444 HydrophobicContact CG2-CE1 4.44Å; T431-F444 HydrophobicContact CG2-CE2 4.24Å; T431-F444 HydrophobicContact CG2-CZ 3.85Å
432	A	89.1	Confident	93.1	Very high	22 Å²	22	38.7 Å²	38.7	18%	0.182	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-15.6	-179	0	0	0	0	0	113.6	K360 E362 D429	K360-A432 WeakPolarHBondContact CE-O 3.35Å; E362-A432 HydrophobicContact CG-CB 3.58Å; D429-A432 HydrophobicContact CB-CB 4.23Å; D429-A432 PolarHBondContact O-N 2.98Å; D429-A432 PolarHBondContact OD1-N 3.44Å
433	N	90.9	Very high	92.9	Very high	4 Å²	4	38 Å²	38	2%	0.021	24%	0.235	C	C	.	.	S	Bend	trans	-125.6	139	-176.9	-61	-87.6	0	0	0	111.7	K360 S361 E362 V376 A377 M428 D429 V435	K360-N433 CarbonylContact O-C 2.85Å; K360-N433 VanDerWaalsContact O-CA 3.31Å; K360-N433 WeakPolarHBondContact O-CA 3.27Å; S361-N433 WeakPolarHBondContact CA-OD1 3.33Å; E362-N433 PolarHBondContact N-OD1 2.92Å; E362-N433 PolarHBondContact OE2-ND2 3.13Å; V376-N433 WeakPolarHBondContact CA-OD1 3.19Å; V376-N433 VanDerWaalsContact CB-OD1 3.27Å; V376-N433 WeakPolarHBondContact CB-OD1 3.31Å; A377-N433 HydrophobicContact CB-CB 4.15Å; A377-N433 PolarHBondContact N-OD1 3.45Å; A377-N433 VanDerWaalsContact N-OD1 3.11Å; M428-N433 HydrophobicContact CE-CB 4.15Å; M428-N433 HydrophobicContact CG-CB 4.11Å; M428-N433 HydrophobicContact SD-CB 4.07Å; D429-N433 WeakPolarHBondContact O-CB 3.28Å; D429-N433 PolarHBondContact O-N 2.83Å; D429-N433 VanDerWaalsContact O-N 3.13Å; D429-N433 PolarHBondContact O-ND2 3.48Å; N433-V435 PolarHBondContact O-N 2.66Å
434	D	89.9	Confident	92.9	Very high	48 Å²	48	40.2 Å²	40.2	26%	0.257	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-64.8	124.6	169.4	-81.1	-14.5	0	0	0	108.7	K329 L359 K360	K329-D434 IonicContact NZ-OD2 3.37Å; K329-D434 PolarHBondContact NZ-OD2 2.88Å; L359-D434 HydrophobicContact CB-CB 4.25Å; L359-D434 HydrophobicContact CD2-CB 4.07Å; K360-D434 HydrophobicContact CB-CB 4.29Å; K360-D434 WeakPolarHBondContact CB-OD1 3.46Å; K360-D434 PolarHBondContact N-OD2 3.29Å; K360-D434 PolarHBondContact O-N 3.22Å
435	V	91.2	Very high	92.8	Very high	44 Å²	44	39.1 Å²	39.1	27%	0.267	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-86	120.7	179.6	-174.4	0	0	0	0	109.2	F395 M428 A430 N433 V441	F395-V435 HydrophobicContact CD1-CG1 4.41Å; F395-V435 HydrophobicContact CD1-CG2 4.46Å; F395-V435 HydrophobicContact CE1-CG1 3.91Å; F395-V435 HydrophobicContact CZ-CG1 4.05Å; M428-V435 HydrophobicContact CE-CB 4.1Å; M428-V435 HydrophobicContact CE-CG1 4.24Å; M428-V435 HydrophobicContact CE-CG2 3.62Å; A430-V435 HydrophobicContact CB-CG2 3.66Å; N433-V435 PolarHBondContact O-N 2.66Å; V435-V441 HydrophobicContact CG1-CG2 4.08Å; V435-V441 HydrophobicContact CG2-CG2 4.09Å
436	P	87.6	Confident	92.8	Very high	36 Å²	36	39.3 Å²	39.3	23%	0.234	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-73.5	152.4	-178.3	28.1	-32.2	0	0	0	112.2	F380 Y439	F380-P436 HydrophobicContact CD1-CG 3.39Å; F380-P436 HydrophobicContact CD2-CG 3.91Å; F380-P436 HydrophobicContact CE1-CG 3.4Å; F380-P436 VanDerWaalsContact CE1-CG 3.4Å; F380-P436 HydrophobicContact CE2-CG 3.92Å; F380-P436 HydrophobicContact CG-CG 3.66Å; F380-P436 HydrophobicContact CZ-CG 3.67Å; P436-Y439 WeakPolarHBondContact O-CB 3.19Å; P436-Y439 WeakPolarHBondContact O-CD2 3.43Å; P436-Y439 PolarHBondContact O-N 3.3Å; P436-Y439 VanDerWaalsContact O-N 3.1Å
437	S	84.3	Confident	92.8	Very high	103 Å²	103	39.5 Å²	39.5	72%	0.72	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	144.7	165.4	-177	0	0	0	0	109.9
438	P	90.5	Very high	92.8	Very high	42 Å²	42	38.6 Å²	38.6	27%	0.273	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	cis	-93.8	18.3	6.7	38.4	-37.9	0	0	0	115	P458	P438-P458 HydrophobicContact CG-CG 3.6Å
439	Y	95.1	Very high	92.8	Very high	11 Å²	11	38.5 Å²	38.5	4%	0.043	24%	0.235	C	C	.	.			trans	-78.9	127.7	-175.3	-58.9	-93.2	0	0	0	111.7	F380 V384 I393 F395 P436 Y448 S450 P458	F380-Y439 HydrophobicContact CE1-CD2 4.12Å; F380-Y439 AromaticContact CE1-CE2 3.6Å; F380-Y439 HydrophobicContact CE1-CE2 3.6Å; F380-Y439 AromaticContact CZ-CD2 3.68Å; F380-Y439 HydrophobicContact CZ-CD2 3.68Å; F380-Y439 HydrophobicContact CZ-CE1 4.45Å; F380-Y439 AromaticContact CZ-CE2 3.42Å; F380-Y439 HydrophobicContact CZ-CE2 3.42Å; F380-Y439 VanDerWaalsContact CZ-CE2 3.42Å; F380-Y439 HydrophobicContact CZ-CG 4.33Å; F380-Y439 AromaticContact CZ-CZ 3.83Å; V384-Y439 WeakPolarHBondContact CG1-OH 3.39Å; I393-Y439 HydrophobicContact CG2-CE1 4.2Å; F395-Y439 AromaticContact CE2-CD1 3.65Å; F395-Y439 HydrophobicContact CE2-CD1 3.65Å; F395-Y439 HydrophobicContact CE2-CE1 4.43Å; F395-Y439 HydrophobicContact CE2-CG 4.07Å; F395-Y439 AromaticContact CZ-CD1 3.81Å; F395-Y439 HydrophobicContact CZ-CD1 3.81Å; F395-Y439 HydrophobicContact CZ-CE1 4.46Å; F395-Y439 AromaticContact CZ-CG 3.92Å; F395-Y439 HydrophobicContact CZ-CG 3.92Å; P436-Y439 WeakPolarHBondContact O-CB 3.19Å; P436-Y439 WeakPolarHBondContact O-CD2 3.43Å; P436-Y439 PolarHBondContact O-N 3.3Å; P436-Y439 VanDerWaalsContact O-N 3.1Å; Y439-Y448 HydrophobicContact CD1-CD1 4Å; Y439-Y448 AromaticContact CD1-CD2 3.88Å; Y439-Y448 HydrophobicContact CD1-CD2 3.88Å; Y439-Y448 HydrophobicContact CD1-CE2 4.41Å; Y439-Y448 AromaticContact CD1-CG 3.63Å; Y439-Y448 HydrophobicContact CD1-CG 3.63Å; Y439-Y448 HydrophobicContact CE1-CD1 4.35Å; Y439-Y448 HydrophobicContact CE1-CG 4.03Å; Y439-S450 VanDerWaalsContact OH-CB 3.29Å; Y439-S450 WeakPolarHBondContact OH-CB 3.43Å; Y439-S450 PolarHBondContact OH-OG 2.93Å; Y439-S450 VanDerWaalsContact OH-OG 3.11Å; Y439-P458 HydrophobicContact CD1-CB 4.3Å; Y439-P458 HydrophobicContact CD1-CG 4.08Å; Y439-P458 HydrophobicContact CE1-CB 3.56Å; Y439-P458 HydrophobicContact CE1-CG 3.7Å; Y439-P458 HydrophobicContact CE2-CG 4.28Å
440	E	92.8	Very high	92.9	Very high	144 Å²	144	38 Å²	38	67%	0.673	23%	0.232	S	C	*	.			trans	-115	114.5	176.8	-66.6	-177.5	-175.7	0	0	111.5	Y448 R460	E440-Y448 PolarHBondContact N-OH 2.86Å; E440-Y448 PolarHBondContact O-OH 3.17Å; E440-R460 PolarHBondContact O-NH2 2.78Å
441	V	93.6	Very high	93	Very high	43 Å²	43	37.2 Å²	37.2	26%	0.261	23%	0.226	S	C	.	.			trans	-104.6	97.3	179.2	-177.6	0	0	0	0	108.9	F395 A430 V435 F444 T446	F395-V441 HydrophobicContact CB-CG1 4.26Å; F395-V441 HydrophobicContact CB-CG2 3.68Å; F395-V441 HydrophobicContact CD1-CG2 4.2Å; F395-V441 HydrophobicContact CD2-CG2 3.71Å; F395-V441 HydrophobicContact CE2-CG2 4.39Å; F395-V441 HydrophobicContact CG-CG2 3.59Å; A430-V441 HydrophobicContact CB-CG1 4.29Å; A430-V441 HydrophobicContact CB-CG2 4.44Å; V435-V441 HydrophobicContact CG1-CG2 4.08Å; V435-V441 HydrophobicContact CG2-CG2 4.09Å; V441-F444 HydrophobicContact CG1-CD1 4.08Å; V441-F444 HydrophobicContact CG1-CE1 3.57Å; V441-F444 HydrophobicContact CG1-CZ 4.11Å; V441-T446 HydrophobicContact CG2-CG2 4.49Å
442	S	85.1	Confident	93.5	Very high	104 Å²	104	35.5 Å²	35.5	73%	0.727	22%	0.217	S	C	*	.	S	Bend	trans	-98.1	-5.4	178.7	57.8	0	0	0	0	113.6	R460	S442-R460 PolarHBondContact OG-NH2 3.43Å
443	G	92.2	Very high	93.8	Very high	30 Å²	30	37.1 Å²	37.1	31%	0.309	24%	0.236	S	C	.	.	S	Bend	trans	-173.6	175.5	179.9	0	0	0	0	0	111.8	T446	G443-T446 PolarHBondContact O-OG1 3.02Å
444	F	96.7	Very high	94.1	Very high	59 Å²	59	43 Å²	43	26%	0.259	26%	0.257	S	S	.	.	S	Bend	trans	-125.8	137.5	-173.7	-58.2	-72.3	0	0	0	113.1	Y396 A397 W399 C400 A430 T431 V441	Y396-F444 VanDerWaalsContact C-CD1 3.49Å; A397-F444 HydrophobicContact CB-CB 4.24Å; A397-F444 HydrophobicContact CB-CD1 3.9Å; A397-F444 HydrophobicContact CB-CD2 3.64Å; A397-F444 HydrophobicContact CB-CE1 4.11Å; A397-F444 HydrophobicContact CB-CE2 3.88Å; A397-F444 HydrophobicContact CB-CG 3.65Å; A397-F444 HydrophobicContact CB-CZ 4.11Å; W399-F444 AromaticContact CH2-CD2 3.85Å; W399-F444 HydrophobicContact CH2-CD2 3.85Å; W399-F444 HydrophobicContact CH2-CE2 4.15Å; W399-F444 HydrophobicContact CZ2-CD2 4.04Å; W399-F444 AromaticContact CZ2-CE2 3.96Å; W399-F444 HydrophobicContact CZ2-CE2 3.96Å; C400-F444 HydrophobicContact CB-CB 4.05Å; A430-F444 HydrophobicContact CB-CE1 3.86Å; T431-F444 HydrophobicContact CG2-CE1 4.44Å; T431-F444 HydrophobicContact CG2-CE2 4.24Å; T431-F444 HydrophobicContact CG2-CZ 3.85Å; V441-F444 HydrophobicContact CG1-CD1 4.08Å; V441-F444 HydrophobicContact CG1-CE1 3.57Å; V441-F444 HydrophobicContact CG1-CZ 4.11Å
445	P	97.2	Very high	94.3	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.032	25%	0.248	C	C	.	.	S	Bend	cis	-73.8	146.7	-12.2	31.5	-33.6	0	0	0	111.2	E394 F395 C403 L406 R465	E394-P445 HydrophobicContact CG-CB 4.07Å; F395-P445 WeakPolarHBondContact O-CA 2.98Å; C403-P445 VanDerWaalsContact SG-CD 3.58Å; C403-P445 VanDerWaalsContact SG-N 3.44Å; L406-P445 HydrophobicContact CD2-CB 4.27Å; L406-P445 HydrophobicContact CD2-CG 3.92Å; P445-R465 PolarHBondContact O-NH2 3.1Å
446	T	98.4	Very high	94.4	Very high	10 Å²	10	45.9 Å²	45.9	6%	0.061	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.7	166.1	-70.1	0	0	0	0	108	F395 V441 G443 Y448	F395-T446 WeakPolarHBondContact CB-O 3.19Å; F395-T446 HydrophobicContact CD2-CG2 4.47Å; F395-T446 PolarHBondContact N-O 3.39Å; F395-T446 PolarHBondContact O-N 3.5Å; V441-T446 HydrophobicContact CG2-CG2 4.49Å; G443-T446 PolarHBondContact O-OG1 3.02Å; T446-Y448 HydrophobicContact CG2-CD2 3.81Å; T446-Y448 HydrophobicContact CG2-CE2 3.43Å; T446-Y448 VanDerWaalsContact CG2-CE2 3.43Å
447	I	98.6	Very high	94.8	Very high	4 Å²	4	48 Å²	48	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.7	-176.1	-56.6	171.4	0	0	0	109.1	L392 I393 E394 L406 Y461 F470	L392-I447 HydrophobicContact CD1-CG2 3.89Å; L392-I447 HydrophobicContact CG-CG2 4.13Å; I393-I447 WeakPolarHBondContact O-CA 2.99Å; E394-I447 HydrophobicContact CB-CG1 4.38Å; E394-I447 HydrophobicContact CG-CG1 4.27Å; L406-I447 HydrophobicContact CD2-CD1 3.85Å; I447-Y461 HydrophobicContact CB-CD1 4.19Å; I447-Y461 HydrophobicContact CB-CG 4.44Å; I447-Y461 HydrophobicContact CD1-CD1 4.22Å; I447-Y461 HydrophobicContact CG2-CD1 4.25Å; I447-Y461 HydrophobicContact CG2-CG 4.21Å; I447-Y461 PolarHBondContact O-N 3.14Å; I447-F470 HydrophobicContact CD1-CE1 3.77Å; I447-F470 HydrophobicContact CD1-CZ 3.79Å
448	Y	98.6	Very high	95.4	Very high	19 Å²	19	44.1 Å²	44.1	8%	0.075	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.4	174.3	-81.8	-97.4	0	0	0	111.2	L392 I393 F395 Y439 E440 T446 P458 K459 R460	L392-Y448 WeakPolarHBondContact CA-O 3.33Å; I393-Y448 PolarHBondContact N-O 3.31Å; I393-Y448 PolarHBondContact O-N 3.23Å; F395-Y448 HydrophobicContact CD2-CD2 4.11Å; F395-Y448 AromaticContact CE2-CD2 3.84Å; F395-Y448 HydrophobicContact CE2-CD2 3.84Å; Y439-Y448 HydrophobicContact CD1-CD1 4Å; Y439-Y448 AromaticContact CD1-CD2 3.88Å; Y439-Y448 HydrophobicContact CD1-CD2 3.88Å; Y439-Y448 HydrophobicContact CD1-CE2 4.41Å; Y439-Y448 AromaticContact CD1-CG 3.63Å; Y439-Y448 HydrophobicContact CD1-CG 3.63Å; Y439-Y448 HydrophobicContact CE1-CD1 4.35Å; Y439-Y448 HydrophobicContact CE1-CG 4.03Å; E440-Y448 PolarHBondContact N-OH 2.86Å; E440-Y448 PolarHBondContact O-OH 3.17Å; T446-Y448 HydrophobicContact CG2-CD2 3.81Å; T446-Y448 HydrophobicContact CG2-CE2 3.43Å; T446-Y448 VanDerWaalsContact CG2-CE2 3.43Å; Y448-P458 HydrophobicContact CD1-CB 4Å; Y448-P458 HydrophobicContact CD1-CG 4.22Å; Y448-K459 CarbonylContact C-O 3.59Å; Y448-K459 WeakPolarHBondContact CA-O 2.96Å; Y448-R460 HydrophobicContact CD1-CB 4.12Å; Y448-R460 HydrophobicContact CE1-CB 3.68Å; Y448-R460 HydrophobicContact CE1-CG 4.17Å; Y448-R460 HydrophobicContact CE2-CG 4.19Å; Y448-R460 PolarHBondContact OH-NE 3.1Å
449	F	98.6	Very high	95.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.7	167.8	-179.3	-115.1	0	0	0	109.3	D390 V391 L392 P451 P458 K459 Y473 L474 E477	D390-F449 HydrophobicContact CB-CE2 3.75Å; D390-F449 HydrophobicContact CB-CZ 3.77Å; V391-F449 CarbonylContact O-C 3.58Å; V391-F449 WeakPolarHBondContact O-CA 2.97Å; L392-F449 HydrophobicContact CB-CD2 4.43Å; L392-F449 HydrophobicContact CD1-CB 3.97Å; L392-F449 HydrophobicContact CD1-CD2 4.18Å; F449-P451 HydrophobicContact CD1-CG 3.92Å; F449-P451 HydrophobicContact CE1-CB 4.03Å; F449-P451 HydrophobicContact CE1-CG 3.77Å; F449-P451 WeakPolarHBondContact O-CD 3.35Å; F449-P458 CarbonylContact O-C 3.51Å; F449-P458 WeakPolarHBondContact O-CA 3.44Å; F449-K459 PolarHBondContact N-O 3.37Å; F449-K459 PolarHBondContact O-N 3.31Å; F449-Y473 HydrophobicContact CB-CE1 3.79Å; F449-Y473 HydrophobicContact CD1-CE1 4.2Å; F449-Y473 HydrophobicContact CD2-CE1 4.38Å; F449-Y473 AromaticContact CG-CE1 3.87Å; F449-Y473 HydrophobicContact CG-CE1 3.87Å; F449-L474 HydrophobicContact CD2-CD2 3.93Å; F449-L474 HydrophobicContact CE2-CD2 3.68Å; F449-E477 HydrophobicContact CD1-CB 4.21Å; F449-E477 HydrophobicContact CE1-CB 3.93Å; F449-E477 WeakPolarHBondContact CE1-O 3.44Å
450	S	98.3	Very high	95.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	97.4	179.2	-168.7	0	0	0	0	109.8	V391 Y439 K455	V391-S450 PolarHBondContact N-O 3.25Å; V391-S450 PolarHBondContact O-N 3.47Å; Y439-S450 VanDerWaalsContact OH-CB 3.29Å; Y439-S450 WeakPolarHBondContact OH-CB 3.43Å; Y439-S450 PolarHBondContact OH-OG 2.93Å; Y439-S450 VanDerWaalsContact OH-OG 3.11Å; S450-K455 PolarHBondContact O-NZ 3.04Å; S450-K455 VanDerWaalsContact OG-CD 3.25Å; S450-K455 WeakPolarHBondContact OG-CD 3.41Å
451	P	97.9	Very high	96.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	24%	0.243	C	C	.	.			trans	-70.3	150.4	-174.1	-12.3	27	0	0	0	112.1	D390 F449 G453 R454	D390-P451 VanDerWaalsContact OD1-CA 3.3Å; D390-P451 WeakPolarHBondContact OD1-CA 3.38Å; F449-P451 HydrophobicContact CD1-CG 3.92Å; F449-P451 HydrophobicContact CE1-CB 4.03Å; F449-P451 HydrophobicContact CE1-CG 3.77Å; F449-P451 WeakPolarHBondContact O-CD 3.35Å; P451-G453 PolarHBondContact O-N 3.11Å; P451-R454 HydrophobicContact CB-CB 4.27Å; P451-R454 HydrophobicContact CG-CB 4.4Å; P451-R454 PolarHBondContact O-N 3.06Å; P451-R454 VanDerWaalsContact O-N 3.07Å
452	A	97.3	Very high	96.2	Very high	17 Å²	17	48.1 Å²	48.1	14%	0.14	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	135.6	168.7	0	0	0	0	0	110.6	D387 K389 D390 R454 T479	D387-A452 CarbonylContact O-C 3.58Å; D387-A452 WeakPolarHBondContact O-CA 3.41Å; D387-A452 WeakPolarHBondContact O-CB 3.29Å; K389-A452 WeakPolarHBondContact O-CA 3.05Å; K389-A452 PolarHBondContact O-N 3.27Å; D390-A452 PolarHBondContact OD1-N 2.94Å; A452-R454 PolarHBondContact O-N 3.38Å; A452-R454 VanDerWaalsContact O-N 3.1Å; A452-T479 HydrophobicContact CB-CG2 4.33Å
453	G	95.7	Very high	96.8	Very high	55 Å²	55	45 Å²	45	57%	0.567	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	7.2	-176.2	0	0	0	0	0	116.7	D387 P451	D387-G453 PolarHBondContact O-N 3.23Å; P451-G453 PolarHBondContact O-N 3.11Å
454	R	95.6	Very high	97	Very high	127 Å²	127	45.3 Å²	45.3	48%	0.479	25%	0.251	S	S	.	.			trans	-134.6	42.8	-179.5	-66.4	-172.9	-69.6	-176.6	-5	113.4	P451 A452 M456 S457	P451-R454 HydrophobicContact CB-CB 4.27Å; P451-R454 HydrophobicContact CG-CB 4.4Å; P451-R454 PolarHBondContact O-N 3.06Å; P451-R454 VanDerWaalsContact O-N 3.07Å; A452-R454 PolarHBondContact O-N 3.38Å; A452-R454 VanDerWaalsContact O-N 3.1Å; R454-M456 VanDerWaalsContact C-N 3.31Å; R454-M456 PolarHBondContact O-N 2.92Å; R454-S457 CarbonylContact O-C 3.58Å; R454-S457 PolarHBondContact O-N 3.48Å
455	K	94.9	Very high	97	Very high	12 Å²	12	47.5 Å²	47.5	5%	0.052	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-27.8	-173.3	-55.7	-55.1	-176.5	167	0	115.4	V384 N385 D386 D387 K389 S450 S457	V384-K455 WeakPolarHBondContact O-CD 3.5Å; V384-K455 WeakPolarHBondContact O-CE 3.06Å; V384-K455 PolarHBondContact O-NZ 2.92Å; N385-K455 HydrophobicContact CB-CB 4.4Å; N385-K455 HydrophobicContact CB-CG 4.34Å; D386-K455 VanDerWaalsContact C-CE 3.42Å; D386-K455 WeakPolarHBondContact O-CE 3.35Å; D386-K455 PolarHBondContact O-NZ 3.19Å; D387-K455 VanDerWaalsContact OD1-CG 3.28Å; D387-K455 WeakPolarHBondContact OD1-CG 3.35Å; K389-K455 PolarHBondContact O-NZ 3.31Å; S450-K455 PolarHBondContact O-NZ 3.04Å; S450-K455 VanDerWaalsContact OG-CD 3.25Å; S450-K455 WeakPolarHBondContact OG-CD 3.41Å; K455-S457 PolarHBondContact O-N 2.85Å
456	M	93.3	Very high	97	Very high	141 Å²	141	51.6 Å²	51.6	70%	0.695	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	1.5	174.8	-61.5	-53.6	-61	0	0	113.8	R454	R454-M456 VanDerWaalsContact C-N 3.31Å; R454-M456 PolarHBondContact O-N 2.92Å
457	S	95.7	Very high	97	Very high	82 Å²	82	51.9 Å²	51.9	57%	0.573	28%	0.278	S	S	*	.	S	Bend	trans	-136.1	57.4	178.7	-58.4	0	0	0	0	111.5	R454 K455	R454-S457 CarbonylContact O-C 3.58Å; R454-S457 PolarHBondContact O-N 3.48Å; K455-S457 PolarHBondContact O-N 2.85Å
458	P	97.3	Very high	96.9	Very high	21 Å²	21	55.2 Å²	55.2	14%	0.136	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-66.8	144.1	176.4	33	-35.3	0	0	0	109.7	P438 Y439 Y448 F449	P438-P458 HydrophobicContact CG-CG 3.6Å; Y439-P458 HydrophobicContact CD1-CB 4.3Å; Y439-P458 HydrophobicContact CD1-CG 4.08Å; Y439-P458 HydrophobicContact CE1-CB 3.56Å; Y439-P458 HydrophobicContact CE1-CG 3.7Å; Y439-P458 HydrophobicContact CE2-CG 4.28Å; Y448-P458 HydrophobicContact CD1-CB 4Å; Y448-P458 HydrophobicContact CD1-CG 4.22Å; F449-P458 CarbonylContact O-C 3.51Å; F449-P458 WeakPolarHBondContact O-CA 3.44Å
459	K	97.8	Very high	96.8	Very high	72 Å²	72	57 Å²	57	31%	0.313	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126	-180	-59.7	-177.8	-174.4	-177.6	0	109.3	Y448 F449 Y461 E477	Y448-K459 CarbonylContact C-O 3.59Å; Y448-K459 WeakPolarHBondContact CA-O 2.96Å; F449-K459 PolarHBondContact N-O 3.37Å; F449-K459 PolarHBondContact O-N 3.31Å; K459-Y461 PolarHBondContact O-N 2.93Å; K459-E477 IonicContact NZ-OE2 2.79Å; K459-E477 PolarHBondContact NZ-OE2 3.22Å
460	R	97.8	Very high	96.8	Very high	90 Å²	90	57 Å²	57	34%	0.34	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	133.8	169.9	-163.9	-178.4	-118.5	-153.6	-2.1	109.3	E440 S442 Y448 E462	E440-R460 PolarHBondContact O-NH2 2.78Å; S442-R460 PolarHBondContact OG-NH2 3.43Å; Y448-R460 HydrophobicContact CD1-CB 4.12Å; Y448-R460 HydrophobicContact CE1-CB 3.68Å; Y448-R460 HydrophobicContact CE1-CG 4.17Å; Y448-R460 HydrophobicContact CE2-CG 4.19Å; Y448-R460 PolarHBondContact OH-NE 3.1Å; R460-E462 WeakPolarHBondContact CD-OE1 3.44Å
461	Y	97.9	Very high	96.8	Very high	15 Å²	15	57.9 Å²	57.9	6%	0.059	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-89.4	117.5	176.8	175.7	-94.1	0	0	0	110.2	I447 K459 G463 G464 F470 Y473	I447-Y461 HydrophobicContact CB-CD1 4.19Å; I447-Y461 HydrophobicContact CB-CG 4.44Å; I447-Y461 HydrophobicContact CD1-CD1 4.22Å; I447-Y461 HydrophobicContact CG2-CD1 4.25Å; I447-Y461 HydrophobicContact CG2-CG 4.21Å; I447-Y461 PolarHBondContact O-N 3.14Å; K459-Y461 PolarHBondContact O-N 2.93Å; Y461-G463 VanDerWaalsContact CE1-O 3.32Å; Y461-G463 WeakPolarHBondContact CE1-O 3.47Å; Y461-G463 VanDerWaalsContact CZ-CA 3.43Å; Y461-G463 WeakPolarHBondContact OH-CA 3.46Å; Y461-G464 VanDerWaalsContact CE1-O 3.27Å; Y461-G464 WeakPolarHBondContact CE1-O 3.46Å; Y461-G464 VanDerWaalsContact CZ-O 3.31Å; Y461-G464 PolarHBondContact OH-N 3.13Å; Y461-G464 PolarHBondContact OH-O 2.91Å; Y461-F470 AromaticContact CD1-CE1 4Å; Y461-F470 HydrophobicContact CD1-CE1 4Å; Y461-F470 AromaticContact CE1-CD1 4Å; Y461-F470 HydrophobicContact CE1-CD1 4Å; Y461-F470 AromaticContact CE1-CE1 3.48Å; Y461-F470 HydrophobicContact CE1-CE1 3.48Å; Y461-F470 VanDerWaalsContact CE1-CE1 3.48Å; Y461-F470 HydrophobicContact CE1-CZ 4.29Å; Y461-F470 HydrophobicContact CE2-CD1 4.22Å; Y461-F470 HydrophobicContact CE2-CE1 4.48Å; Y461-F470 AromaticContact CZ-CD1 3.77Å; Y461-F470 AromaticContact CZ-CE1 3.76Å; Y461-Y473 AromaticContact CD2-CD1 3.92Å; Y461-Y473 HydrophobicContact CD2-CD1 3.92Å; Y461-Y473 AromaticContact CD2-CD2 3.54Å; Y461-Y473 HydrophobicContact CD2-CD2 3.54Å; Y461-Y473 HydrophobicContact CD2-CE1 4.04Å; Y461-Y473 AromaticContact CD2-CE2 3.67Å; Y461-Y473 HydrophobicContact CD2-CE2 3.67Å; Y461-Y473 AromaticContact CD2-CG 3.69Å; Y461-Y473 HydrophobicContact CD2-CG 3.69Å; Y461-Y473 AromaticContact CD2-CZ 3.93Å; Y461-Y473 HydrophobicContact CE2-CD1 4.07Å; Y461-Y473 AromaticContact CE2-CD2 3.53Å; Y461-Y473 HydrophobicContact CE2-CD2 3.53Å; Y461-Y473 HydrophobicContact CE2-CE2 4.15Å; Y461-Y473 AromaticContact CE2-CG 3.5Å; Y461-Y473 HydrophobicContact CE2-CG 3.5Å; Y461-Y473 VanDerWaalsContact CE2-CG 3.5Å
462	E	96.2	Very high	96.7	Very high	147 Å²	147	61.1 Å²	61.1	69%	0.687	34%	0.34	S	S	*	.			trans	-111.1	9.6	-177.9	-59.9	-67.9	174.9	0	0	112.5	R460	R460-E462 WeakPolarHBondContact CD-OE1 3.44Å
463	G	96	Very high	96.8	Very high	39 Å²	39	61.3 Å²	61.3	40%	0.402	34%	0.337	S	S	.	.	S	Bend	trans	-80.3	-179.5	-177.1	0	0	0	0	0	114.2	Y461	Y461-G463 VanDerWaalsContact CE1-O 3.32Å; Y461-G463 WeakPolarHBondContact CE1-O 3.47Å; Y461-G463 VanDerWaalsContact CZ-CA 3.43Å; Y461-G463 WeakPolarHBondContact OH-CA 3.46Å
464	G	96.4	Very high	96.8	Very high	36 Å²	36	58.7 Å²	58.7	37%	0.371	31%	0.31	S	S	.	.			trans	-63.7	164.3	173.5	0	0	0	0	0	112.8	Y461 D469	Y461-G464 VanDerWaalsContact CE1-O 3.27Å; Y461-G464 WeakPolarHBondContact CE1-O 3.46Å; Y461-G464 VanDerWaalsContact CZ-O 3.31Å; Y461-G464 PolarHBondContact OH-N 3.13Å; Y461-G464 PolarHBondContact OH-O 2.91Å; G464-D469 VanDerWaalsContact CA-OD2 3.22Å; G464-D469 WeakPolarHBondContact CA-OD2 3.16Å; G464-D469 WeakPolarHBondContact O-CB 3.41Å
465	R	97.5	Very high	96.8	Very high	105 Å²	105	59.2 Å²	59.2	40%	0.396	32%	0.316	S	S	.	.	S	Bend	trans	-111.1	25.4	-172.9	-65.8	179.1	-175.1	167.9	-3.4	112.6	L406 K409 P445 D469	L406-R465 HydrophobicContact CD1-CB 4.27Å; K409-R465 WeakPolarHBondContact CD-O 3.23Å; P445-R465 PolarHBondContact O-NH2 3.1Å; R465-D469 PolarHBondContact N-OD2 3.32Å
466	E	97.9	Very high	96.9	Very high	91 Å²	91	66.4 Å²	66.4	43%	0.425	34%	0.342	S	S	.	.	S	Bend	trans	-92.1	155.2	168.7	-58.3	-56.1	145.3	0	0	111.5	K409 S468 D469 F470	K409-E466 WeakPolarHBondContact CE-OE2 3.38Å; K409-E466 IonicContact NZ-OE1 2.64Å; K409-E466 PolarHBondContact NZ-OE1 3.06Å; K409-E466 IonicContact NZ-OE2 2.82Å; K409-E466 PolarHBondContact NZ-OE2 3.39Å; E466-S468 PolarHBondContact O-N 3.16Å; E466-D469 WeakPolarHBondContact CB-OD2 3.3Å; E466-D469 PolarHBondContact N-OD2 3.36Å; E466-D469 VanDerWaalsContact N-OD2 3.09Å; E466-D469 WeakPolarHBondContact O-CB 3.46Å; E466-D469 PolarHBondContact O-N 3.25Å; E466-F470 VanDerWaalsContact O-CD2 3.25Å; E466-F470 WeakPolarHBondContact O-CD2 3.39Å; E466-F470 PolarHBondContact O-N 3Å
467	V	97.2	Very high	97	Very high	16 Å²	16	61.7 Å²	61.7	10%	0.097	32%	0.319	C	S	.	.	H	α-helix	trans	-55.3	-39.7	178.5	-178.4	0	0	0	0	111.5	K409 E412 K416 D469 F470 I471	K409-V467 HydrophobicContact CB-CG2 3.92Å; K409-V467 WeakPolarHBondContact O-CG2 3.33Å; E412-V467 HydrophobicContact CB-CG2 4.21Å; E412-V467 HydrophobicContact CG-CG2 4.36Å; K416-V467 HydrophobicContact CD-CG1 3.88Å; V467-D469 VanDerWaalsContact C-N 3.29Å; V467-D469 PolarHBondContact O-N 3.47Å; V467-F470 PolarHBondContact O-N 3.46Å; V467-I471 HydrophobicContact CG1-CG1 4.39Å; V467-I471 WeakPolarHBondContact O-CG1 3.38Å; V467-I471 PolarHBondContact O-N 3.4Å
468	S	96.4	Very high	97	Very high	74 Å²	74	58.8 Å²	58.8	52%	0.517	30%	0.3	S	S	.	.	H	α-helix	trans	-62.9	-33.8	177	52.4	0	0	0	0	113.3	E466 S472	E466-S468 PolarHBondContact O-N 3.16Å; S468-S472 VanDerWaalsContact O-CB 3.25Å; S468-S472 WeakPolarHBondContact O-CB 3.5Å; S468-S472 PolarHBondContact O-N 2.93Å; S468-S472 PolarHBondContact O-OG 3.49Å
469	D	98.1	Very high	96.9	Very high	55 Å²	55	61 Å²	61	29%	0.294	31%	0.313	S	S	.	.	H	α-helix	trans	-70.1	-45.5	179.9	-57.4	-35.8	0	0	0	110.1	G464 R465 E466 V467 S472 Y473	G464-D469 VanDerWaalsContact CA-OD2 3.22Å; G464-D469 WeakPolarHBondContact CA-OD2 3.16Å; G464-D469 WeakPolarHBondContact O-CB 3.41Å; R465-D469 PolarHBondContact N-OD2 3.32Å; E466-D469 WeakPolarHBondContact CB-OD2 3.3Å; E466-D469 PolarHBondContact N-OD2 3.36Å; E466-D469 VanDerWaalsContact N-OD2 3.09Å; E466-D469 WeakPolarHBondContact O-CB 3.46Å; E466-D469 PolarHBondContact O-N 3.25Å; V467-D469 VanDerWaalsContact C-N 3.29Å; V467-D469 PolarHBondContact O-N 3.47Å; D469-S472 PolarHBondContact O-N 3.44Å; D469-Y473 WeakPolarHBondContact O-CB 3.22Å; D469-Y473 PolarHBondContact O-N 3.26Å
470	F	98.3	Very high	96.7	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.2	-46.5	176	-66.1	-61.7	0	0	0	112.2	L392 L406 Y410 L413 I447 Y461 E466 V467 S472 Y473 L474	L392-F470 HydrophobicContact CD2-CD1 3.94Å; L392-F470 HydrophobicContact CD2-CE1 4.49Å; L406-F470 HydrophobicContact CD1-CE2 3.72Å; L406-F470 HydrophobicContact CD1-CZ 3.88Å; Y410-F470 HydrophobicContact CD2-CE2 4.24Å; Y410-F470 HydrophobicContact CD2-CZ 4.18Å; Y410-F470 HydrophobicContact CE2-CE1 4.41Å; Y410-F470 HydrophobicContact CE2-CZ 4.36Å; L413-F470 HydrophobicContact CD1-CB 3.8Å; L413-F470 HydrophobicContact CD2-CB 3.53Å; L413-F470 HydrophobicContact CD2-CD1 4.33Å; L413-F470 HydrophobicContact CD2-CD2 3.96Å; L413-F470 HydrophobicContact CD2-CG 3.7Å; L413-F470 HydrophobicContact CG-CB 4.27Å; I447-F470 HydrophobicContact CD1-CE1 3.77Å; I447-F470 HydrophobicContact CD1-CZ 3.79Å; Y461-F470 AromaticContact CD1-CE1 4Å; Y461-F470 HydrophobicContact CD1-CE1 4Å; Y461-F470 AromaticContact CE1-CD1 4Å; Y461-F470 HydrophobicContact CE1-CD1 4Å; Y461-F470 AromaticContact CE1-CE1 3.48Å; Y461-F470 HydrophobicContact CE1-CE1 3.48Å; Y461-F470 VanDerWaalsContact CE1-CE1 3.48Å; Y461-F470 HydrophobicContact CE1-CZ 4.29Å; Y461-F470 HydrophobicContact CE2-CD1 4.22Å; Y461-F470 HydrophobicContact CE2-CE1 4.48Å; Y461-F470 AromaticContact CZ-CD1 3.77Å; Y461-F470 AromaticContact CZ-CE1 3.76Å; E466-F470 VanDerWaalsContact O-CD2 3.25Å; E466-F470 WeakPolarHBondContact O-CD2 3.39Å; E466-F470 PolarHBondContact O-N 3Å; V467-F470 PolarHBondContact O-N 3.46Å; F470-S472 VanDerWaalsContact C-N 3.31Å; F470-S472 PolarHBondContact O-N 2.86Å; F470-Y473 PolarHBondContact O-N 2.87Å; F470-L474 WeakPolarHBondContact O-CB 3.32Å; F470-L474 WeakPolarHBondContact O-CG 3.27Å; F470-L474 PolarHBondContact O-N 3.42Å
471	I	96.9	Very high	96.4	Very high	19 Å²	19	62 Å²	62	10%	0.097	34%	0.335	C	S	.	.	H	α-helix	trans	-60.9	-42.7	176.7	-67.9	-67.8	0	0	0	110.8	L413 L417 V467 Y473 L474 K475 L482 V484	L413-I471 HydrophobicContact CD1-CD1 3.62Å; L413-I471 HydrophobicContact CD1-CG1 3.93Å; L417-I471 HydrophobicContact CD1-CD1 4.29Å; L417-I471 HydrophobicContact CD2-CD1 4.12Å; L417-I471 HydrophobicContact CG-CD1 4.22Å; V467-I471 HydrophobicContact CG1-CG1 4.39Å; V467-I471 WeakPolarHBondContact O-CG1 3.38Å; V467-I471 PolarHBondContact O-N 3.4Å; I471-Y473 VanDerWaalsContact C-N 3.34Å; I471-Y473 PolarHBondContact O-N 3.27Å; I471-L474 PolarHBondContact O-N 2.97Å; I471-K475 HydrophobicContact CG2-CD 4.09Å; I471-K475 HydrophobicContact CG2-CG 4.44Å; I471-K475 WeakPolarHBondContact O-CB 3.49Å; I471-K475 VanDerWaalsContact O-CG 3.3Å; I471-K475 WeakPolarHBondContact O-CG 3.34Å; I471-K475 PolarHBondContact O-N 3.02Å; I471-L482 HydrophobicContact CD1-CD2 4.42Å; I471-V484 HydrophobicContact CD1-CG1 4.31Å; I471-V484 HydrophobicContact CD1-CG2 4.25Å
472	S	97	Very high	96.1	Very high	70 Å²	70	62.8 Å²	62.8	49%	0.49	34%	0.34	S	S	.	.	H	α-helix	trans	-65.7	-38	178.8	-60.6	0	0	0	0	112.1	S468 D469 F470 R476	S468-S472 VanDerWaalsContact O-CB 3.25Å; S468-S472 WeakPolarHBondContact O-CB 3.5Å; S468-S472 PolarHBondContact O-N 2.93Å; S468-S472 PolarHBondContact O-OG 3.49Å; D469-S472 PolarHBondContact O-N 3.44Å; F470-S472 VanDerWaalsContact C-N 3.31Å; F470-S472 PolarHBondContact O-N 2.86Å; S472-R476 PolarHBondContact O-N 3.4Å
473	Y	98.1	Very high	95.8	Very high	21 Å²	21	59.2 Å²	59.2	8%	0.082	33%	0.328	C	S	.	.	H	α-helix	trans	-65.2	-51.2	173.8	178	-88	0	0	0	111.5	F449 Y461 D469 F470 I471 K475 R476 E477	F449-Y473 HydrophobicContact CB-CE1 3.79Å; F449-Y473 HydrophobicContact CD1-CE1 4.2Å; F449-Y473 HydrophobicContact CD2-CE1 4.38Å; F449-Y473 AromaticContact CG-CE1 3.87Å; F449-Y473 HydrophobicContact CG-CE1 3.87Å; Y461-Y473 AromaticContact CD2-CD1 3.92Å; Y461-Y473 HydrophobicContact CD2-CD1 3.92Å; Y461-Y473 AromaticContact CD2-CD2 3.54Å; Y461-Y473 HydrophobicContact CD2-CD2 3.54Å; Y461-Y473 HydrophobicContact CD2-CE1 4.04Å; Y461-Y473 AromaticContact CD2-CE2 3.67Å; Y461-Y473 HydrophobicContact CD2-CE2 3.67Å; Y461-Y473 AromaticContact CD2-CG 3.69Å; Y461-Y473 HydrophobicContact CD2-CG 3.69Å; Y461-Y473 AromaticContact CD2-CZ 3.93Å; Y461-Y473 HydrophobicContact CE2-CD1 4.07Å; Y461-Y473 AromaticContact CE2-CD2 3.53Å; Y461-Y473 HydrophobicContact CE2-CD2 3.53Å; Y461-Y473 HydrophobicContact CE2-CE2 4.15Å; Y461-Y473 AromaticContact CE2-CG 3.5Å; Y461-Y473 HydrophobicContact CE2-CG 3.5Å; Y461-Y473 VanDerWaalsContact CE2-CG 3.5Å; D469-Y473 WeakPolarHBondContact O-CB 3.22Å; D469-Y473 PolarHBondContact O-N 3.26Å; F470-Y473 PolarHBondContact O-N 2.87Å; I471-Y473 VanDerWaalsContact C-N 3.34Å; I471-Y473 PolarHBondContact O-N 3.27Å; Y473-K475 VanDerWaalsContact C-N 3.34Å; Y473-K475 PolarHBondContact O-N 3.25Å; Y473-R476 VanDerWaalsContact CD2-NH2 3.28Å; Y473-R476 WeakPolarHBondContact O-CB 3.25Å; Y473-R476 PolarHBondContact O-N 2.56Å; Y473-E477 HydrophobicContact CD1-CB 4.37Å; Y473-E477 HydrophobicContact CD1-CG 4.18Å; Y473-E477 HydrophobicContact CD2-CG 4.1Å; Y473-E477 HydrophobicContact CE1-CB 4Å; Y473-E477 HydrophobicContact CE1-CG 3.87Å; Y473-E477 HydrophobicContact CE2-CG 3.79Å; Y473-E477 HydrophobicContact CG-CG 4.27Å; Y473-E477 WeakPolarHBondContact O-CB 3.03Å; Y473-E477 WeakPolarHBondContact O-CG 3.43Å; Y473-E477 PolarHBondContact O-N 3.48Å
474	L	97.2	Very high	95.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.9	-39.3	-178.6	-71.2	172.1	0	0	0	111.8	L392 L413 L417 V423 I425 F449 F470 I471 R476 E477 A478 L482	L392-L474 HydrophobicContact CB-CD2 4.47Å; L392-L474 HydrophobicContact CD2-CD1 4.38Å; L413-L474 HydrophobicContact CD1-CD1 4.39Å; L417-L474 HydrophobicContact CD1-CD1 3.48Å; L417-L474 VanDerWaalsContact CD1-CD1 3.48Å; V423-L474 HydrophobicContact CG1-CD1 4.44Å; I425-L474 HydrophobicContact CD1-CD1 4.17Å; F449-L474 HydrophobicContact CD2-CD2 3.93Å; F449-L474 HydrophobicContact CE2-CD2 3.68Å; F470-L474 WeakPolarHBondContact O-CB 3.32Å; F470-L474 WeakPolarHBondContact O-CG 3.27Å; F470-L474 PolarHBondContact O-N 3.42Å; I471-L474 PolarHBondContact O-N 2.97Å; L474-R476 PolarHBondContact O-N 3.3Å; L474-E477 PolarHBondContact O-N 3.37Å; L474-A478 WeakPolarHBondContact O-CB 3.25Å; L474-A478 PolarHBondContact O-N 3.09Å; L474-L482 HydrophobicContact CB-CD1 4.06Å; L474-L482 HydrophobicContact CB-CD2 3.85Å
475	K	95.8	Very high	94	Very high	138 Å²	138	60.5 Å²	60.5	60%	0.6	32%	0.322	S	S	*	.	H	α-helix	trans	-58.6	-28.4	173.1	-78.6	179.1	176.8	-177.6	0	113.7	I471 Y473 L482	I471-K475 HydrophobicContact CG2-CD 4.09Å; I471-K475 HydrophobicContact CG2-CG 4.44Å; I471-K475 WeakPolarHBondContact O-CB 3.49Å; I471-K475 VanDerWaalsContact O-CG 3.3Å; I471-K475 WeakPolarHBondContact O-CG 3.34Å; I471-K475 PolarHBondContact O-N 3.02Å; Y473-K475 VanDerWaalsContact C-N 3.34Å; Y473-K475 PolarHBondContact O-N 3.25Å; K475-L482 HydrophobicContact CG-CB 4.33Å; K475-L482 HydrophobicContact CG-CD2 3.96Å
476	R	95.9	Very high	92.4	Very high	162 Å²	162	64.6 Å²	64.6	61%	0.611	35%	0.345	S	S	*	.	H	α-helix	trans	-88.4	-36.3	179.1	-178.2	179.9	63.3	-114.6	0.5	112.5	S472 Y473 L474	S472-R476 PolarHBondContact O-N 3.4Å; Y473-R476 VanDerWaalsContact CD2-NH2 3.28Å; Y473-R476 WeakPolarHBondContact O-CB 3.25Å; Y473-R476 PolarHBondContact O-N 2.56Å; L474-R476 PolarHBondContact O-N 3.3Å
477	E	96.6	Very high	90.3	Very high	43 Å²	43	67.6 Å²	67.6	20%	0.201	36%	0.359	C	S	.	.	H	α-helix	trans	-106	-19.2	-166.8	-59.7	-68.2	156.6	0	0	114.3	F449 K459 Y473 L474	F449-E477 HydrophobicContact CD1-CB 4.21Å; F449-E477 HydrophobicContact CE1-CB 3.93Å; F449-E477 WeakPolarHBondContact CE1-O 3.44Å; K459-E477 IonicContact NZ-OE2 2.79Å; K459-E477 PolarHBondContact NZ-OE2 3.22Å; Y473-E477 HydrophobicContact CD1-CB 4.37Å; Y473-E477 HydrophobicContact CD1-CG 4.18Å; Y473-E477 HydrophobicContact CD2-CG 4.1Å; Y473-E477 HydrophobicContact CE1-CB 4Å; Y473-E477 HydrophobicContact CE1-CG 3.87Å; Y473-E477 HydrophobicContact CE2-CG 3.79Å; Y473-E477 HydrophobicContact CG-CG 4.27Å; Y473-E477 WeakPolarHBondContact O-CB 3.03Å; Y473-E477 WeakPolarHBondContact O-CG 3.43Å; Y473-E477 PolarHBondContact O-N 3.48Å; L474-E477 PolarHBondContact O-N 3.37Å
478	A	94.8	Very high	87.7	Confident	21 Å²	21	70.1 Å²	70.1	17%	0.174	39%	0.389	C	S	.	.			trans	-60.4	140.7	179.6	0	0	0	0	0	111.4	D390 L474 N480 L482	D390-A478 WeakPolarHBondContact OD2-CA 3.21Å; L474-A478 WeakPolarHBondContact O-CB 3.25Å; L474-A478 PolarHBondContact O-N 3.09Å; A478-N480 VanDerWaalsContact C-N 3.26Å; A478-N480 WeakPolarHBondContact CB-O 3.37Å; A478-N480 PolarHBondContact O-N 2.97Å; A478-L482 HydrophobicContact CB-CD1 4.33Å
479	T	95.3	Very high	84.9	Confident	67 Å²	67	76.2 Å²	76.2	41%	0.411	41%	0.406	S	S	.	.	S	Bend	trans	-67.4	-31.6	178.9	-55.5	0	0	0	0	111	D390 A452	D390-T479 WeakPolarHBondContact OD1-CB 3.39Å; D390-T479 PolarHBondContact OD1-OG1 3.38Å; D390-T479 WeakPolarHBondContact OD2-CB 3.43Å; D390-T479 PolarHBondContact OD2-N 3.38Å; D390-T479 PolarHBondContact OD2-OG1 2.7Å; A452-T479 HydrophobicContact CB-CG2 4.33Å
480	N	93.1	Very high	82	Confident	66 Å²	66	83.4 Å²	83.4	35%	0.353	44%	0.435	S	S	.	.	S	Bend	trans	-119.6	154.1	175.6	-64.6	-66.5	0	0	0	111.2	N422 A478 L482	N422-N480 HydrophobicContact CB-CB 4.24Å; A478-N480 VanDerWaalsContact C-N 3.26Å; A478-N480 WeakPolarHBondContact CB-O 3.37Å; A478-N480 PolarHBondContact O-N 2.97Å; N480-L482 PolarHBondContact O-N 3.39Å
481	P	92.4	Very high	79.1	Confident	118 Å²	118	93.3 Å²	93.3	77%	0.766	48%	0.478	S	S	*	.			trans	-56.2	127.8	174.3	-25.3	34.9	0	0	0	112.2
482	L	90.6	Very high	76.2	Confident	31 Å²	31	102.5 Å²	102.5	16%	0.162	52%	0.517	C	S	.	.			trans	-69.9	131.7	-175.5	-151.9	74.3	0	0	0	111.7	L417 D420 V423 I471 L474 K475 A478 N480 V484	L417-L482 HydrophobicContact CD2-CD1 4.05Å; L417-L482 HydrophobicContact CD2-CD2 3.78Å; L417-L482 HydrophobicContact CD2-CG 3.74Å; D420-L482 WeakPolarHBondContact OD2-CA 3.36Å; V423-L482 HydrophobicContact CB-CD1 4.41Å; V423-L482 HydrophobicContact CG2-CD1 3.56Å; I471-L482 HydrophobicContact CD1-CD2 4.42Å; L474-L482 HydrophobicContact CB-CD1 4.06Å; L474-L482 HydrophobicContact CB-CD2 3.85Å; K475-L482 HydrophobicContact CG-CB 4.33Å; K475-L482 HydrophobicContact CG-CD2 3.96Å; A478-L482 HydrophobicContact CB-CD1 4.33Å; N480-L482 PolarHBondContact O-N 3.39Å; L482-V484 HydrophobicContact CB-CG2 4.3Å; L482-V484 HydrophobicContact CD2-CG2 3.54Å; L482-V484 HydrophobicContact CG-CG2 3.83Å
483	V	89.6	Confident	73.3	Confident	71 Å²	71	109.1 Å²	109.1	43%	0.43	54%	0.537	S	S	.	.			trans	-94	106	171.8	-176.4	0	0	0	0	108.3	D420	D420-V483 HydrophobicContact CB-CB 4.17Å; D420-V483 PolarHBondContact OD2-N 3.04Å
484	V	82.3	Confident	70.4	Confident	38 Å²	38	117.1 Å²	117.1	23%	0.23	57%	0.572	C	S	.	*			trans	-123.2	130.6	177.7	-168.6	0	0	0	0	108.8	L417 I471 L482 E486	L417-V484 HydrophobicContact CD2-CG2 3.87Å; I471-V484 HydrophobicContact CD1-CG1 4.31Å; I471-V484 HydrophobicContact CD1-CG2 4.25Å; L482-V484 HydrophobicContact CB-CG2 4.3Å; L482-V484 HydrophobicContact CD2-CG2 3.54Å; L482-V484 HydrophobicContact CG-CG2 3.83Å; V484-E486 PolarHBondContact O-N 2.79Å
485	P	72.6	Confident	67.4	Low	65 Å²	65	126.3 Å²	126.3	42%	0.422	61%	0.612	S	S	.	*			trans	-56.7	125.4	172.8	-22.2	31.5	0	0	0	110.7	K416 E487	K416-P485 WeakPolarHBondContact O-CD 3.32Å; P485-E487 PolarHBondContact O-N 2.82Å
486	E	64.6	Low	64.7	Low	190 Å²	190	126.7 Å²	126.7	89%	0.888	62%	0.621	S	S	*	*			trans	-65.1	127.4	171.8	-75.6	-154.1	157.6	0	0	110	V484 G488	V484-E486 PolarHBondContact O-N 2.79Å; E486-G488 PolarHBondContact O-N 2.64Å
487	E	54.1	Low	62.2	Low	154 Å²	154	126.2 Å²	126.2	72%	0.72	63%	0.63	S	S	*	*			trans	-63.8	111.1	170.3	-74	-172.8	178.7	0	0	109.5	K416 P485 K489	K416-E487 IonicContact NZ-OE1 3.75Å; K416-E487 PolarHBondContact NZ-OE1 3.47Å; P485-E487 PolarHBondContact O-N 2.82Å; E487-K489 PolarHBondContact O-N 2.96Å; E487-K489 VanDerWaalsContact O-N 3.14Å
488	G	43.1	Very low	59.5	Low	70 Å²	70	131.4 Å²	131.4	72%	0.722	66%	0.66	S	S	*	*			trans	-52	119.4	-178.8	0	0	0	0	0	112.2	E486 K490	E486-G488 PolarHBondContact O-N 2.64Å; G488-K490 PolarHBondContact O-N 3.14Å
489	K	36	Very low	57.1	Low	202 Å²	202	139.8 Å²	139.8	88%	0.878	69%	0.692	S	S	*	*			trans	-49.7	109.4	167.4	-74.3	177	178.4	169.9	0	109.3	E487 K491	E487-K489 PolarHBondContact O-N 2.96Å; E487-K489 VanDerWaalsContact O-N 3.14Å; K489-K491 PolarHBondContact O-N 2.96Å
490	K	38.2	Very low	54.4	Low	205 Å²	205	141.5 Å²	141.5	89%	0.891	71%	0.707	S	S	*	*			trans	-52.4	108.5	169.2	-80.5	179.5	176.5	172.6	0	109.2	G488 K492	G488-K490 PolarHBondContact O-N 3.14Å; K490-K492 PolarHBondContact O-N 3.16Å; K490-K492 VanDerWaalsContact O-N 3.11Å
491	K	36.3	Very low	52	Low	209 Å²	209	147.3 Å²	147.3	91%	0.909	73%	0.732	S	S	*	*			trans	-59.5	111.8	168.4	-83.3	-179.2	174.6	175.4	0	108.5	K489 K493	K489-K491 PolarHBondContact O-N 2.96Å; K491-K493 PolarHBondContact O-N 3.11Å; K491-K493 VanDerWaalsContact O-N 3.16Å
492	K	36.5	Very low	49.4	Very low	211 Å²	211	153.6 Å²	153.6	92%	0.917	76%	0.758	S	S	*	*			trans	-58.4	113.6	166.7	-90.6	-180	172.9	176.5	0	108.6	K490 K494	K490-K492 PolarHBondContact O-N 3.16Å; K490-K492 VanDerWaalsContact O-N 3.11Å; K492-K494 PolarHBondContact O-N 3.38Å
493	K	35.8	Very low	47.4	Very low	210 Å²	210	159.8 Å²	159.8	91%	0.913	79%	0.787	S	S	*	*			trans	-67.1	119.5	166.6	-117.7	178.7	177.1	-179	0	108.1	K491	K491-K493 PolarHBondContact O-N 3.11Å; K491-K493 VanDerWaalsContact O-N 3.16Å
494	K	37.2	Very low	45.2	Very low	189 Å²	189	164.4 Å²	164.4	82%	0.822	81%	0.806	S	S	*	*			trans	-63	132.2	165.9	-114.9	178.9	174	-175	0	108	K492	K492-K494 PolarHBondContact O-N 3.38Å
495	K	35.7	Very low	43.1	Very low	193 Å²	193	171.4 Å²	171.4	84%	0.839	84%	0.838	S	S	*	*			trans	-83.7	111.6	168.9	-129.7	-177	179.1	-171	0	105.6
496	D	38.2	Very low	41.4	Very low	145 Å²	145	177.7 Å²	177.7	78%	0.775	86%	0.863	S	S	*	*			trans	-87.5	116.7	163.4	-75.2	-30	0	0	0	106.7
497	D	43.6	Very low	39.9	Very low	152 Å²	152	176.9 Å²	176.9	81%	0.813	86%	0.861	S	S	*	*			trans	-75.1	118.8	165.2	-74	-35.5	0	0	0	107.1
498	D	40.2	Very low	39	Very low	153 Å²	153	178.5 Å²	178.5	82%	0.818	87%	0.871	S	S	*	*			trans	-115.9	122.6	165.5	-153.7	3.4	0	0	0	109.8
499	K	44.2	Very low	38.7	Very low	197 Å²	197	186.2 Å²	186.2	86%	0.857	88%	0.881	S	S	*	*			trans	-93.5	127.5	174.3	-88.7	179.5	169.8	-178.4	0	107.7
500	S	39.2	Very low	38.9	Very low	102 Å²	102	185 Å²	185	71%	0.713	88%	0.882	S	S	*	*			trans	-163.2	111.9	148.1	37.5	0	0	0	0	106.5
501	E	42.8	Very low	38.9	Very low	189 Å²	189	183.3 Å²	183.3	88%	0.883	88%	0.881	S	S	*	*				46	92.7	82.3	-75.5	-168.4	178.3	0	0	113
502	L	37.7	Very low	39.2	Very low	250 Å²	250	181 Å²	181	100%	1.309	88%	0.878	S	S	*	*				-162.7	0	119.8	-99.1	160.3	0	0	0	110.5

Retrieved 502 of 502 residues in 841.5 ms (Link to these results)

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