A0A5K4EBG0_SCHMA Loading...

Protein arginine N-methyltransferase

AlphaFold DB , UniProt , Accession A0A5K4EBG0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 552 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.8	Very low	38.5	Very low	46 Å²	46	57 Å²	57	23%	0.227	31%	0.311	C	S	.	.				0	95.9	0	-103.9	-174.2	-84.1	0	0	108.8	C3 F28 I30 I35 D46 W411	M1-C3 PolarHBondContact O-N 2.87Å; M1-F28 HydrophobicContact SD-CE1 3.74Å; M1-F28 HydrophobicContact SD-CZ 4.06Å; M1-I30 HydrophobicContact CE-CD1 3.33Å; M1-I30 HydrophobicContact SD-CD1 4.47Å; M1-I35 HydrophobicContact CE-CD1 3.74Å; M1-I35 HydrophobicContact CE-CG1 4.46Å; M1-D46 PolarHBondContact N-O 2.69Å; M1-W411 HydrophobicContact CE-CH2 3.24Å; M1-W411 HydrophobicContact CE-CZ2 3.67Å; M1-W411 HydrophobicContact CE-CZ3 4.16Å
2	C	24.8	Very low	39.6	Very low	108 Å²	108	60.1 Å²	60.1	73%	0.73	32%	0.321	S	S	*	.			trans	-73.5	87.2	160.2	-72.6	0	0	0	0	107.3	P4	C2-P4 WeakPolarHBondContact O-CD 3.34Å
3	C	30	Very low	41.4	Very low	17 Å²	17	55.8 Å²	55.8	12%	0.115	30%	0.298	C	S	.	.			trans	-111.1	68.8	150.8	-96	0	0	0	0	107.7	M1 G5 F133	M1-C3 PolarHBondContact O-N 2.87Å; C3-G5 VanDerWaalsContact C-N 3.29Å; C3-G5 PolarHBondContact O-N 2.89Å; C3-F133 HydrophobicContact CB-CE1 3.74Å; C3-F133 HydrophobicContact CB-CZ 4.22Å
4	P	26	Very low	43.1	Very low	48 Å²	48	58.2 Å²	58.2	31%	0.312	31%	0.307	S	S	.	.	S	Bend	trans	-67.2	100.6	156.9	32.7	-29.8	0	0	0	105.9	C2 L6 F7 H90	C2-P4 WeakPolarHBondContact O-CD 3.34Å; P4-L6 PolarHBondContact O-N 3.39Å; P4-L6 VanDerWaalsContact O-N 3.07Å; P4-F7 VanDerWaalsContact O-CD2 3.31Å; P4-F7 WeakPolarHBondContact O-CD2 3.28Å; P4-H90 WeakPolarHBondContact CA-CD2 3.46Å; P4-H90 WeakPolarHBondContact CB-CD2 3.04Å; P4-H90 VanDerWaalsContact CB-NE2 3.3Å; P4-H90 WeakPolarHBondContact CB-NE2 3.06Å
5	G	30.2	Very low	45	Very low	15 Å²	15	59.4 Å²	59.4	16%	0.155	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	42.3	169.6	0	0	0	0	0	117.6	C3 F7	C3-G5 VanDerWaalsContact C-N 3.29Å; C3-G5 PolarHBondContact O-N 2.89Å; G5-F7 VanDerWaalsContact C-CD2 3.49Å; G5-F7 WeakPolarHBondContact O-CD2 3.13Å; G5-F7 WeakPolarHBondContact O-CE2 3.5Å; G5-F7 WeakPolarHBondContact O-CG 3.39Å; G5-F7 PolarHBondContact O-N 2.93Å
6	L	39.3	Very low	47.2	Very low	10 Å²	10	60 Å²	60	5%	0.052	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.7	31.4	174.2	-67.5	148.2	0	0	0	115.5	P4 H192 I200	P4-L6 PolarHBondContact O-N 3.39Å; P4-L6 VanDerWaalsContact O-N 3.07Å; L6-H192 WeakPolarHBondContact CB-NE2 3.37Å; L6-I200 HydrophobicContact CD2-CB 4.39Å; L6-I200 HydrophobicContact CD2-CD1 3.65Å; L6-I200 HydrophobicContact CD2-CG2 3.92Å
7	F	40	Very low	49.2	Very low	55 Å²	55	61.9 Å²	61.9	24%	0.241	33%	0.332	C	S	.	.			trans	-82.5	130.4	172.8	-61	-89.8	0	0	0	107.8	P4 G5 D9 E19 N204	P4-F7 VanDerWaalsContact O-CD2 3.31Å; P4-F7 WeakPolarHBondContact O-CD2 3.28Å; G5-F7 VanDerWaalsContact C-CD2 3.49Å; G5-F7 WeakPolarHBondContact O-CD2 3.13Å; G5-F7 WeakPolarHBondContact O-CE2 3.5Å; G5-F7 WeakPolarHBondContact O-CG 3.39Å; G5-F7 PolarHBondContact O-N 2.93Å; F7-D9 PolarHBondContact O-N 3.16Å; F7-E19 HydrophobicContact CD1-CB 4.12Å; F7-E19 HydrophobicContact CD1-CG 3.75Å; F7-E19 HydrophobicContact CE1-CB 3.44Å; F7-E19 VanDerWaalsContact CE1-CB 3.44Å; F7-E19 HydrophobicContact CE1-CG 3.56Å; F7-E19 WeakPolarHBondContact CE1-O 3.18Å; F7-E19 HydrophobicContact CZ-CB 4.41Å; F7-E19 WeakPolarHBondContact CZ-O 3.13Å; F7-N204 PolarHBondContact O-ND2 3.47Å; F7-N204 VanDerWaalsContact O-ND2 3.11Å; F7-N204 PolarHBondContact O-OD1 2.98Å; F7-N204 VanDerWaalsContact O-OD1 3.1Å
8	T	45.8	Very low	51.1	Low	3 Å²	3	58.9 Å²	58.9	2%	0.018	32%	0.316	C	S	.	.			trans	-63	119	154.1	38.9	0	0	0	0	107.9	I10 F13 N204	T8-I10 HydrophobicContact CG2-CD1 4.37Å; T8-I10 PolarHBondContact O-N 3.02Å; T8-F13 WeakPolarHBondContact OG1-CB 3.48Å; T8-N204 WeakPolarHBondContact CA-OD1 2.85Å
9	D	49	Very low	52.8	Low	139 Å²	139	59.4 Å²	59.4	74%	0.743	32%	0.316	S	S	*	.	S	Bend	trans	-65	10.9	177.3	-128.8	5.3	0	0	0	112.9	F7 N204	F7-D9 PolarHBondContact O-N 3.16Å; D9-N204 PolarHBondContact N-OD1 3.33Å
10	I	52.5	Low	54.4	Low	21 Å²	21	59.4 Å²	59.4	11%	0.108	32%	0.321	C	S	.	.			trans	-96.3	104.6	-179.8	-57.2	155.8	0	0	0	104.4	T8 E12 F13 Q14 Y241	T8-I10 HydrophobicContact CG2-CD1 4.37Å; T8-I10 PolarHBondContact O-N 3.02Å; I10-E12 HydrophobicContact CG2-CB 3.81Å; I10-E12 HydrophobicContact CG2-CG 4.43Å; I10-E12 WeakPolarHBondContact CG2-OE2 3.16Å; I10-E12 PolarHBondContact O-N 2.94Å; I10-F13 HydrophobicContact CB-CB 4.3Å; I10-F13 HydrophobicContact CG2-CB 4.33Å; I10-F13 PolarHBondContact O-N 2.61Å; I10-Q14 PolarHBondContact O-N 2.86Å; I10-Y241 HydrophobicContact CD1-CD1 3.49Å; I10-Y241 VanDerWaalsContact CD1-CD1 3.49Å; I10-Y241 HydrophobicContact CD1-CD2 3.91Å; I10-Y241 HydrophobicContact CD1-CE1 2.98Å; I10-Y241 HydrophobicContact CD1-CE2 3.49Å; I10-Y241 VanDerWaalsContact CD1-CE2 3.49Å; I10-Y241 HydrophobicContact CD1-CG 3.91Å; I10-Y241 WeakPolarHBondContact CD1-OH 3.34Å; I10-Y241 HydrophobicContact CG1-CE1 4.38Å; I10-Y241 HydrophobicContact CG1-CE2 4.45Å
11	K	55.2	Low	56.1	Low	165 Å²	165	57 Å²	57	72%	0.717	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.1	-27.1	173.9	-73.5	-173.6	173.3	-174.2	0	112.8	Q14	K11-Q14 WeakPolarHBondContact O-CB 3.36Å
12	E	51.8	Low	58.9	Low	94 Å²	94	55.4 Å²	55.4	44%	0.439	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-14.8	-177.7	-55.5	80	173.6	0	0	115.2	I10 F244 K248	I10-E12 HydrophobicContact CG2-CB 3.81Å; I10-E12 HydrophobicContact CG2-CG 4.43Å; I10-E12 WeakPolarHBondContact CG2-OE2 3.16Å; I10-E12 PolarHBondContact O-N 2.94Å; E12-F244 HydrophobicContact CB-CD1 4.34Å; E12-F244 HydrophobicContact CB-CE1 3.3Å; E12-F244 HydrophobicContact CB-CZ 3.62Å; E12-F244 HydrophobicContact CG-CE1 3.87Å; E12-F244 HydrophobicContact CG-CZ 4.29Å; E12-K248 VanDerWaalsContact CG-NZ 3.26Å
13	F	62.8	Low	62	Low	4 Å²	4	50.3 Å²	50.3	2%	0.018	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	5.9	173.3	-129.5	-97.5	0	0	0	111.8	T8 I10 H15 I18 L191 W195 Y241 L272 I275	T8-F13 WeakPolarHBondContact OG1-CB 3.48Å; I10-F13 HydrophobicContact CB-CB 4.3Å; I10-F13 HydrophobicContact CG2-CB 4.33Å; I10-F13 PolarHBondContact O-N 2.61Å; F13-H15 PolarHBondContact O-N 3.42Å; F13-I18 HydrophobicContact CD1-CD1 4.23Å; F13-L191 HydrophobicContact CD1-CD1 4.47Å; F13-L191 HydrophobicContact CE1-CD1 4.16Å; F13-W195 HydrophobicContact CE1-CH2 4.11Å; F13-W195 HydrophobicContact CE1-CZ3 4.46Å; F13-W195 HydrophobicContact CZ-CH2 4.01Å; F13-Y241 HydrophobicContact CD2-CG 4.5Å; F13-L272 HydrophobicContact CE2-CD2 4.38Å; F13-L272 HydrophobicContact CZ-CD2 3.72Å; F13-I275 HydrophobicContact CD1-CD1 4.09Å; F13-I275 HydrophobicContact CD2-CG2 4.35Å; F13-I275 HydrophobicContact CE1-CD1 3.32Å; F13-I275 HydrophobicContact CE2-CD1 4.18Å; F13-I275 HydrophobicContact CE2-CG2 3.92Å; F13-I275 HydrophobicContact CZ-CD1 3.39Å; F13-I275 HydrophobicContact CZ-CG2 4.18Å
14	Q	64.8	Low	64.9	Low	90 Å²	90	52.5 Å²	52.5	42%	0.421	28%	0.278	S	S	.	.			trans	-69.3	80.8	171	-73.1	180	-22.2	0	0	109.7	I10 K11 E19	I10-Q14 PolarHBondContact O-N 2.86Å; K11-Q14 WeakPolarHBondContact O-CB 3.36Å; Q14-E19 WeakPolarHBondContact CB-OE1 3.29Å; Q14-E19 VanDerWaalsContact CG-OE1 3.3Å; Q14-E19 WeakPolarHBondContact CG-OE1 3.31Å
15	H	72.6	Confident	67.9	Low	76 Å²	76	52.1 Å²	52.1	35%	0.352	28%	0.275	S	S	.	.			trans	-90.6	130.9	168.9	-164.8	-94.3	0	0	0	108.9	F13 E17 I18 E19	F13-H15 PolarHBondContact O-N 3.42Å; H15-E17 IonicContact CE1-OE1 3.64Å; H15-E17 IonicContact CE1-OE2 2.8Å; H15-E17 WeakPolarHBondContact ND1-CB 3.34Å; H15-E17 PolarHBondContact ND1-N 3.27Å; H15-E17 IonicContact ND1-OE2 3.62Å; H15-E17 PolarHBondContact O-N 3.28Å; H15-I18 HydrophobicContact CB-CB 4.49Å; H15-I18 HydrophobicContact CB-CD1 3.92Å; H15-I18 HydrophobicContact CB-CG1 4.14Å; H15-I18 WeakPolarHBondContact O-CA 3.38Å; H15-I18 WeakPolarHBondContact O-CB 3.4Å; H15-I18 PolarHBondContact O-N 3.43Å; H15-E19 WeakPolarHBondContact O-CG 3.47Å; H15-E19 PolarHBondContact O-N 3.15Å
16	A	78.9	Confident	70.8	Confident	69 Å²	69	53.6 Å²	53.6	57%	0.57	28%	0.284	S	S	*	.	H	α-helix	trans	-53.6	-30.8	-174.9	0	0	0	0	0	113.6	E19 S20	A16-E19 PolarHBondContact O-N 3.03Å; A16-S20 WeakPolarHBondContact O-CB 3.37Å; A16-S20 PolarHBondContact O-N 3.48Å; A16-S20 VanDerWaalsContact O-N 3.09Å; A16-S20 PolarHBondContact O-OG 3.24Å
17	E	82.4	Confident	73.3	Confident	93 Å²	93	55.4 Å²	55.4	44%	0.435	30%	0.295	S	S	.	.	H	α-helix	trans	-70.1	-38.7	175.1	-62.5	178.2	175.6	0	0	113	H15 E19 C21 C189	H15-E17 IonicContact CE1-OE1 3.64Å; H15-E17 IonicContact CE1-OE2 2.8Å; H15-E17 WeakPolarHBondContact ND1-CB 3.34Å; H15-E17 PolarHBondContact ND1-N 3.27Å; H15-E17 IonicContact ND1-OE2 3.62Å; H15-E17 PolarHBondContact O-N 3.28Å; E17-E19 VanDerWaalsContact C-N 3.31Å; E17-C21 VanDerWaalsContact O-CB 3.27Å; E17-C21 WeakPolarHBondContact O-CB 3.38Å; E17-C21 PolarHBondContact O-N 2.9Å; E17-C189 HydrophobicContact CB-CB 4.44Å; E17-C189 WeakPolarHBondContact O-CB 3.33Å
18	I	83.5	Confident	75.9	Confident	7 Å²	7	54.3 Å²	54.3	4%	0.036	29%	0.29	C	S	.	.	H	α-helix	trans	-66.6	-42.2	174.3	-62.5	169.9	0	0	0	108.5	F13 H15 S20 C21 C189 L191	F13-I18 HydrophobicContact CD1-CD1 4.23Å; H15-I18 HydrophobicContact CB-CB 4.49Å; H15-I18 HydrophobicContact CB-CD1 3.92Å; H15-I18 HydrophobicContact CB-CG1 4.14Å; H15-I18 WeakPolarHBondContact O-CA 3.38Å; H15-I18 WeakPolarHBondContact O-CB 3.4Å; H15-I18 PolarHBondContact O-N 3.43Å; I18-S20 VanDerWaalsContact C-N 3.3Å; I18-S20 PolarHBondContact O-N 3.23Å; I18-C21 WeakPolarHBondContact O-CB 3.39Å; I18-C21 PolarHBondContact O-N 2.82Å; I18-C189 HydrophobicContact CB-CB 4.32Å; I18-C189 HydrophobicContact CG1-CB 3.84Å; I18-L191 HydrophobicContact CD1-CD1 3.92Å
19	E	82	Confident	78.3	Confident	69 Å²	69	58.5 Å²	58.5	32%	0.322	31%	0.313	S	S	.	.	H	α-helix	trans	-65.8	-30.9	-176.7	-68.1	-157.6	146.2	0	0	114.8	F7 Q14 H15 A16 E17	F7-E19 HydrophobicContact CD1-CB 4.12Å; F7-E19 HydrophobicContact CD1-CG 3.75Å; F7-E19 HydrophobicContact CE1-CB 3.44Å; F7-E19 VanDerWaalsContact CE1-CB 3.44Å; F7-E19 HydrophobicContact CE1-CG 3.56Å; F7-E19 WeakPolarHBondContact CE1-O 3.18Å; F7-E19 HydrophobicContact CZ-CB 4.41Å; F7-E19 WeakPolarHBondContact CZ-O 3.13Å; Q14-E19 WeakPolarHBondContact CB-OE1 3.29Å; Q14-E19 VanDerWaalsContact CG-OE1 3.3Å; Q14-E19 WeakPolarHBondContact CG-OE1 3.31Å; H15-E19 WeakPolarHBondContact O-CG 3.47Å; H15-E19 PolarHBondContact O-N 3.15Å; A16-E19 PolarHBondContact O-N 3.03Å; E17-E19 VanDerWaalsContact C-N 3.31Å
20	S	85.9	Confident	80.5	Confident	59 Å²	59	51.9 Å²	51.9	41%	0.413	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	0.3	-179	56.7	0	0	0	0	113.6	A16 I18 K135	A16-S20 WeakPolarHBondContact O-CB 3.37Å; A16-S20 PolarHBondContact O-N 3.48Å; A16-S20 VanDerWaalsContact O-N 3.09Å; A16-S20 PolarHBondContact O-OG 3.24Å; I18-S20 VanDerWaalsContact C-N 3.3Å; I18-S20 PolarHBondContact O-N 3.23Å; S20-K135 WeakPolarHBondContact O-CE 3.28Å
21	C	89.8	Confident	82.6	Confident	9 Å²	9	51.1 Å²	51.1	6%	0.061	27%	0.273	C	S	.	.			trans	-81.1	134	-175	179	0	0	0	0	112.2	E17 I18 G23 C187 S188 C189 H192	E17-C21 VanDerWaalsContact O-CB 3.27Å; E17-C21 WeakPolarHBondContact O-CB 3.38Å; E17-C21 PolarHBondContact O-N 2.9Å; I18-C21 WeakPolarHBondContact O-CB 3.39Å; I18-C21 PolarHBondContact O-N 2.82Å; C21-G23 PolarHBondContact O-N 2.96Å; C21-C187 VanDerWaalsContact SG-CA 3.51Å; C21-C187 VanDerWaalsContact SG-SG 3.63Å; C21-S188 PolarHBondContact SG-N 2.89Å; C21-C189 HydrophobicContact CB-CB 3.9Å; C21-C189 PolarHBondContact SG-SG 2.95Å; C21-H192 PolarHBondContact SG-ND1 3.21Å
22	S	89.9	Confident	84.5	Confident	13 Å²	13	43.2 Å²	43.2	9%	0.091	24%	0.239	C	C	.	.			trans	-70.5	8	179	-54.6	0	0	0	0	116.4	K135	S22-K135 VanDerWaalsContact OG-CG 3.29Å; S22-K135 WeakPolarHBondContact OG-CG 3.23Å
23	G	90.7	Very high	86.5	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.01	23%	0.226	C	C	.	.			trans	73.9	-171.6	-171	0	0	0	0	0	115	C21 C187 H192	C21-G23 PolarHBondContact O-N 2.96Å; G23-C187 WeakPolarHBondContact O-CA 3.28Å; G23-C187 VanDerWaalsContact O-CB 3.23Å; G23-C187 WeakPolarHBondContact O-CB 3.48Å; G23-C187 PolarHBondContact O-N 2.84Å; G23-H192 WeakPolarHBondContact CA-ND1 3.29Å
24	L	91	Very high	88	Confident	63 Å²	63	42 Å²	42	33%	0.33	24%	0.236	S	C	.	.			trans	-77.3	130.9	178	-174.7	68.3	0	0	0	110.3	S26 H192 R193	L24-S26 WeakPolarHBondContact CD2-OG 3.43Å; L24-S26 WeakPolarHBondContact CG-OG 3.43Å; L24-S26 PolarHBondContact O-N 3.39Å; L24-H192 HydrophobicContact CB-CB 4.1Å; L24-H192 WeakPolarHBondContact CD1-O 3.32Å; L24-R193 HydrophobicContact CD1-CG 4.28Å
25	P	88.9	Confident	89.2	Confident	39 Å²	39	38.3 Å²	38.3	25%	0.253	22%	0.219	S	C	.	.	S	Bend	trans	-80.2	49.8	-179.9	36.1	-37.1	0	0	0	111.6	R158	P25-R158 VanDerWaalsContact O-CZ 3.25Å; P25-R158 PolarHBondContact O-NH2 2.85Å
26	S	90.6	Very high	89.8	Confident	47 Å²	47	37.3 Å²	37.3	33%	0.329	22%	0.215	S	C	.	.	S	Bend	trans	-127.6	153.3	175.3	68.7	0	0	0	0	110.2	L24 R197	L24-S26 WeakPolarHBondContact CD2-OG 3.43Å; L24-S26 WeakPolarHBondContact CG-OG 3.43Å; L24-S26 PolarHBondContact O-N 3.39Å; S26-R197 PolarHBondContact O-NH2 3.14Å; S26-R197 PolarHBondContact OG-NH2 3.43Å
27	T	92	Very high	90.2	Very high	48 Å²	48	36 Å²	36	29%	0.294	20%	0.198	S	C	.	.			trans	-64.4	142.8	176.6	-47.4	0	0	0	0	110.7	D29 A130 Y132 R197	T27-D29 WeakPolarHBondContact CG2-OD1 3.46Å; T27-A130 HydrophobicContact CG2-CB 3.4Å; T27-Y132 HydrophobicContact CG2-CE2 4.35Å; T27-Y132 PolarHBondContact OG1-OH 2.76Å; T27-R197 PolarHBondContact O-NH1 2.59Å
28	F	94.8	Very high	90.1	Very high	32 Å²	32	35.3 Å²	35.3	14%	0.14	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	86.6	167.5	-166.3	-164.1	0	0	0	110.4	M1 I30 A130 V131 F133 R197	M1-F28 HydrophobicContact SD-CE1 3.74Å; M1-F28 HydrophobicContact SD-CZ 4.06Å; F28-I30 HydrophobicContact CD2-CG2 3.72Å; F28-I30 HydrophobicContact CE1-CG2 4.26Å; F28-I30 HydrophobicContact CE2-CG2 3.35Å; F28-I30 HydrophobicContact CG-CG2 4.33Å; F28-I30 HydrophobicContact CZ-CG2 3.65Å; F28-A130 CarbonylContact O-C 3.53Å; F28-A130 WeakPolarHBondContact O-CA 3.26Å; F28-V131 HydrophobicContact CB-CB 4.11Å; F28-V131 VanDerWaalsContact CB-O 3.25Å; F28-V131 WeakPolarHBondContact CB-O 3.29Å; F28-V131 HydrophobicContact CD1-CB 4.08Å; F28-V131 HydrophobicContact CG-CB 4.48Å; F28-V131 PolarHBondContact N-O 3.5Å; F28-V131 PolarHBondContact O-N 3.31Å; F28-F133 HydrophobicContact CD1-CE2 4.17Å; F28-F133 AromaticContact CD1-CZ 3.99Å; F28-F133 HydrophobicContact CD1-CZ 3.99Å; F28-R197 HydrophobicContact CZ-CB 4.41Å
29	D	95.6	Very high	89.3	Confident	90 Å²	90	42.6 Å²	42.6	48%	0.481	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	122.8	178.4	-60.4	-49.6	0	0	0	110	T27 Q129	T27-D29 WeakPolarHBondContact CG2-OD1 3.46Å; D29-Q129 WeakPolarHBondContact CA-O 3.38Å
30	I	95.3	Very high	88.1	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	157.4	179.1	58.1	170.7	0	0	0	110.5	M1 F28 V32 I35 Q129 V131 W411 E412	M1-I30 HydrophobicContact CE-CD1 3.33Å; M1-I30 HydrophobicContact SD-CD1 4.47Å; F28-I30 HydrophobicContact CD2-CG2 3.72Å; F28-I30 HydrophobicContact CE1-CG2 4.26Å; F28-I30 HydrophobicContact CE2-CG2 3.35Å; F28-I30 HydrophobicContact CG-CG2 4.33Å; F28-I30 HydrophobicContact CZ-CG2 3.65Å; I30-V32 HydrophobicContact CD1-CG2 3.91Å; I30-V32 HydrophobicContact CG1-CG2 3.62Å; I30-V32 PolarHBondContact O-N 3.46Å; I30-I35 HydrophobicContact CD1-CD1 3.82Å; I30-Q129 PolarHBondContact N-O 3.3Å; I30-Q129 PolarHBondContact O-N 2.98Å; I30-Q129 VanDerWaalsContact O-O 3.1Å; I30-V131 HydrophobicContact CD1-CG2 3.52Å; I30-V131 HydrophobicContact CG1-CG2 3.92Å; I30-W411 HydrophobicContact CB-CH2 4.44Å; I30-W411 HydrophobicContact CD1-CH2 4.36Å; I30-W411 HydrophobicContact CG2-CZ2 4.49Å; I30-E412 VanDerWaalsContact CA-OE2 3.23Å; I30-E412 WeakPolarHBondContact CA-OE2 3.21Å
31	Q	96.2	Very high	86.4	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.019	26%	0.26	C	S	.	.			trans	-75.7	77.9	171.8	-65.4	-67.8	-10.3	0	0	108.9	S33 E34 R124 D125 M128 E412 Y413	Q31-S33 PolarHBondContact O-N 3.14Å; Q31-E34 HydrophobicContact CB-CG 4.12Å; Q31-E34 PolarHBondContact O-N 3.18Å; Q31-R124 PolarHBondContact NE2-O 3.18Å; Q31-D125 PolarHBondContact NE2-OD1 3.34Å; Q31-M128 HydrophobicContact CB-CE 4.29Å; Q31-M128 HydrophobicContact CG-CE 3.59Å; Q31-E412 HydrophobicContact CB-CB 3.92Å; Q31-E412 HydrophobicContact CB-CG 4.46Å; Q31-E412 HydrophobicContact CG-CB 3.99Å; Q31-E412 WeakPolarHBondContact CG-O 3.33Å; Q31-E412 PolarHBondContact N-OE2 3.32Å; Q31-Y413 HydrophobicContact CG-CE1 4.28Å
32	V	95.2	Very high	84.5	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-58.5	-22	-178.6	177	0	0	0	0	112.3	I30 E34 I35 V93 P113 W115 Q129 V131	I30-V32 HydrophobicContact CD1-CG2 3.91Å; I30-V32 HydrophobicContact CG1-CG2 3.62Å; I30-V32 PolarHBondContact O-N 3.46Å; V32-E34 PolarHBondContact O-N 3.33Å; V32-E34 VanDerWaalsContact O-N 3.12Å; V32-I35 HydrophobicContact CG1-CD1 4.37Å; V32-I35 PolarHBondContact O-N 3.03Å; V32-I35 VanDerWaalsContact O-N 3.1Å; V32-V93 HydrophobicContact CB-CG1 4.4Å; V32-V93 HydrophobicContact CG1-CG1 3.74Å; V32-V93 HydrophobicContact CG1-CG2 4.47Å; V32-V93 HydrophobicContact CG2-CG1 4.13Å; V32-P113 HydrophobicContact CB-CG 4.17Å; V32-P113 HydrophobicContact CG1-CB 4.27Å; V32-P113 HydrophobicContact CG1-CG 3.92Å; V32-W115 HydrophobicContact CG1-CZ2 3.81Å; V32-W115 PolarHBondContact O-NE1 3.45Å; V32-Q129 HydrophobicContact CB-CB 3.91Å; V32-Q129 HydrophobicContact CB-CG 4.32Å; V32-Q129 HydrophobicContact CG2-CB 3.56Å; V32-Q129 HydrophobicContact CG2-CG 4.49Å; V32-Q129 VanDerWaalsContact N-OE1 3.15Å; V32-V131 HydrophobicContact CG2-CG2 4.21Å
33	S	94.7	Very high	82.5	Confident	24 Å²	24	59 Å²	59	17%	0.168	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-54.8	-22.8	170.6	-63.6	0	0	0	0	114	Q31 P113 S114	Q31-S33 PolarHBondContact O-N 3.14Å; S33-P113 WeakPolarHBondContact OG-CA 3.36Å; S33-S114 WeakPolarHBondContact CB-OG 3.31Å; S33-S114 PolarHBondContact O-OG 3.5Å; S33-S114 PolarHBondContact OG-N 3.46Å
34	E	93	Very high	80.6	Confident	48 Å²	48	64.4 Å²	64.4	22%	0.224	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-96.1	4.5	-179.4	-56.2	-50.7	141.2	0	0	114.2	Q31 V32 E412 P414	Q31-E34 HydrophobicContact CB-CG 4.12Å; Q31-E34 PolarHBondContact O-N 3.18Å; V32-E34 PolarHBondContact O-N 3.33Å; V32-E34 VanDerWaalsContact O-N 3.12Å; E34-E412 VanDerWaalsContact CG-O 3.31Å; E34-E412 WeakPolarHBondContact CG-O 3.35Å; E34-P414 HydrophobicContact CG-CG 4.38Å; E34-P414 VanDerWaalsContact OE1-CG 3.31Å; E34-P414 WeakPolarHBondContact OE1-CG 3.27Å; E34-P414 WeakPolarHBondContact OE2-CG 3.4Å
35	I	90.9	Very high	79.2	Confident	12 Å²	12	62.5 Å²	62.5	6%	0.062	35%	0.347	C	S	.	.	S	Bend	trans	-93.3	129.9	171.3	-54.2	178.7	0	0	0	108.7	M1 I30 V32 R47 L49 W411	M1-I35 HydrophobicContact CE-CD1 3.74Å; M1-I35 HydrophobicContact CE-CG1 4.46Å; I30-I35 HydrophobicContact CD1-CD1 3.82Å; V32-I35 HydrophobicContact CG1-CD1 4.37Å; V32-I35 PolarHBondContact O-N 3.03Å; V32-I35 VanDerWaalsContact O-N 3.1Å; I35-R47 WeakPolarHBondContact CG2-O 3.44Å; I35-L49 HydrophobicContact CG2-CB 3.77Å; I35-W411 HydrophobicContact CG1-CZ3 4.13Å
36	Q	85.4	Confident	78.4	Confident	56 Å²	56	62.7 Å²	62.7	26%	0.262	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	137.3	180	-63.1	-177.6	-2.8	0	0	110.8	C45 R47 Q48 L49	Q36-C45 PolarHBondContact OE1-SG 3.23Å; Q36-R47 PolarHBondContact N-O 3.27Å; Q36-Q48 CarbonylContact O-C 3.6Å; Q36-Q48 VanDerWaalsContact O-CA 3.23Å; Q36-Q48 WeakPolarHBondContact O-CA 3.23Å; Q36-L49 PolarHBondContact O-N 3.45Å
37	L	87.4	Confident	78	Confident	42 Å²	42	61.8 Å²	61.8	22%	0.22	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	137.4	168.9	-61.4	-179	0	0	0	109.4	D39 S40 L49 W115	L37-D39 PolarHBondContact O-N 3.39Å; L37-D39 VanDerWaalsContact O-N 3.07Å; L37-S40 WeakPolarHBondContact O-CB 3.4Å; L37-S40 PolarHBondContact O-N 2.88Å; L37-S40 PolarHBondContact O-OG 3.29Å; L37-L49 CarbonylContact C-O 3.57Å; L37-L49 WeakPolarHBondContact CA-O 3.06Å; L37-L49 HydrophobicContact CD2-CB 4.28Å; L37-L49 HydrophobicContact CD2-CD2 3.97Å; L37-W115 HydrophobicContact CD1-CB 3.99Å; L37-W115 HydrophobicContact CD1-CD2 3.95Å; L37-W115 HydrophobicContact CD1-CE3 3.8Å; L37-W115 HydrophobicContact CD1-CG 4.05Å; L37-W115 HydrophobicContact CD2-CD2 4.1Å; L37-W115 HydrophobicContact CD2-CE3 4.28Å; L37-W115 HydrophobicContact CD2-CZ2 4.5Å; L37-W115 HydrophobicContact CG-CB 4.36Å; L37-W115 HydrophobicContact CG-CD2 4.16Å; L37-W115 HydrophobicContact CG-CE3 4.42Å; L37-W115 HydrophobicContact CG-CG 4.13Å
38	E	79.6	Confident	77.8	Confident	78 Å²	78	63.1 Å²	63.1	36%	0.364	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.1	-173.5	-169.1	176.1	169.3	0	0	114.4	S40 L49 R50	E38-S40 PolarHBondContact O-N 2.66Å; E38-L49 PolarHBondContact N-O 3.05Å; E38-R50 IonicContact OE1-CZ 3.98Å; E38-R50 IonicContact OE1-NE 3.4Å; E38-R50 IonicContact OE1-NH2 3.83Å; E38-R50 PolarHBondContact OE1-NH2 3.39Å; E38-R50 WeakPolarHBondContact OE2-CB 3.33Å; E38-R50 IonicContact OE2-CZ 3.58Å; E38-R50 VanDerWaalsContact OE2-CZ 3.29Å; E38-R50 IonicContact OE2-NE 3.45Å; E38-R50 PolarHBondContact OE2-NE 3.48Å; E38-R50 IonicContact OE2-NH2 3.67Å; E38-R50 PolarHBondContact OE2-NH2 2.94Å; E38-R50 VanDerWaalsContact OE2-NH2 3.1Å
39	D	66.6	Low	77.5	Confident	159 Å²	159	63.7 Å²	63.7	85%	0.85	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-4.7	175.9	-61.9	-37.1	0	0	0	113.8	L37 Q41	L37-D39 PolarHBondContact O-N 3.39Å; L37-D39 VanDerWaalsContact O-N 3.07Å; D39-Q41 PolarHBondContact O-N 2.89Å
40	S	57	Low	77.2	Confident	48 Å²	48	65.8 Å²	65.8	34%	0.336	34%	0.344	S	S	.	.	S	Bend	trans	-72.7	117.9	175.2	-47.5	0	0	0	0	108.1	L37 E38 L42	L37-S40 WeakPolarHBondContact O-CB 3.4Å; L37-S40 PolarHBondContact O-N 2.88Å; L37-S40 PolarHBondContact O-OG 3.29Å; E38-S40 PolarHBondContact O-N 2.66Å; S40-L42 PolarHBondContact O-N 3.23Å
41	Q	49.8	Very low	77.1	Confident	205 Å²	205	68.2 Å²	68.2	96%	0.958	36%	0.36	S	S	*	.			trans	-62.3	15.8	177.6	-64.9	-177.1	-8.2	0	0	114.7	D39	D39-Q41 PolarHBondContact O-N 2.89Å
42	L	50.8	Low	77.1	Confident	119 Å²	119	69.1 Å²	69.1	62%	0.623	37%	0.365	S	S	*	.	S	Bend	trans	-88.3	141.4	179.4	-81.9	114.5	0	0	0	111.8	S40	S40-L42 PolarHBondContact O-N 3.23Å
43	V	47.7	Very low	77	Confident	123 Å²	123	71.8 Å²	71.8	75%	0.745	38%	0.379	S	S	*	.			trans	-30	130.4	178.4	-176.2	0	0	0	0	113.7	C45	V43-C45 PolarHBondContact O-N 3.41Å
44	S	51.1	Low	76.9	Confident	114 Å²	114	78.6 Å²	78.6	80%	0.797	41%	0.406	S	S	*	.			trans	-30	101.5	165.4	144.6	0	0	0	0	111.6
45	C	60.8	Low	76.9	Confident	24 Å²	24	80 Å²	80	16%	0.162	42%	0.421	C	S	.	.			trans	-115.1	156.3	169.8	73.8	0	0	0	0	109.1	Q36 V43 R47	Q36-C45 PolarHBondContact OE1-SG 3.23Å; V43-C45 PolarHBondContact O-N 3.41Å; C45-R47 PolarHBondContact O-N 3.19Å; C45-R47 VanDerWaalsContact O-N 3.07Å; C45-R47 PolarHBondContact SG-O 3.2Å
46	D	72.3	Confident	77.1	Confident	43 Å²	43	82.9 Å²	82.9	23%	0.23	44%	0.441	C	S	.	.	S	Bend	trans	-69.3	1.4	175.7	60.5	-29.3	0	0	0	113.3	M1 S506	M1-D46 PolarHBondContact N-O 2.69Å; D46-S506 PolarHBondContact OD2-N 3.07Å; D46-S506 PolarHBondContact OD2-OG 2.72Å
47	R	82.8	Confident	77.5	Confident	28 Å²	28	87.6 Å²	87.6	11%	0.106	46%	0.456	C	S	.	.			trans	-121.7	63.6	-171.7	-57.8	-168.5	-64.3	-97.9	14.5	112.6	I35 Q36 C45 W411 W504	I35-R47 WeakPolarHBondContact CG2-O 3.44Å; Q36-R47 PolarHBondContact N-O 3.27Å; C45-R47 PolarHBondContact O-N 3.19Å; C45-R47 VanDerWaalsContact O-N 3.07Å; C45-R47 PolarHBondContact SG-O 3.2Å; R47-W411 HydrophobicContact CG-CE3 4.38Å; R47-W504 PolarHBondContact NH1-O 3.18Å
48	Q	86.1	Confident	77.9	Confident	75 Å²	75	90.3 Å²	90.3	35%	0.35	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	147.6	174.9	-66.2	-179.9	-14	0	0	112.4	Q36	Q36-Q48 CarbonylContact O-C 3.6Å; Q36-Q48 VanDerWaalsContact O-CA 3.23Å; Q36-Q48 WeakPolarHBondContact O-CA 3.23Å
49	L	88.8	Confident	78.7	Confident	45 Å²	45	88.7 Å²	88.7	24%	0.236	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	130	172.5	-176.5	79.8	0	0	0	109.1	I35 Q36 L37 E38 V93 W115	I35-L49 HydrophobicContact CG2-CB 3.77Å; Q36-L49 PolarHBondContact O-N 3.45Å; L37-L49 CarbonylContact C-O 3.57Å; L37-L49 WeakPolarHBondContact CA-O 3.06Å; L37-L49 HydrophobicContact CD2-CB 4.28Å; L37-L49 HydrophobicContact CD2-CD2 3.97Å; E38-L49 PolarHBondContact N-O 3.05Å; L49-V93 HydrophobicContact CD1-CG2 4.48Å; L49-V93 HydrophobicContact CD2-CG2 4.12Å; L49-W115 HydrophobicContact CD2-CZ2 4.34Å
50	R	90.4	Very high	80	Confident	133 Å²	133	84.8 Å²	84.8	50%	0.502	45%	0.449	S	S	.	.			trans	-98.4	122	165.2	-169.2	-178.7	-69	-170.7	-2.3	109.2	E38 L52	E38-R50 IonicContact OE1-CZ 3.98Å; E38-R50 IonicContact OE1-NE 3.4Å; E38-R50 IonicContact OE1-NH2 3.83Å; E38-R50 PolarHBondContact OE1-NH2 3.39Å; E38-R50 WeakPolarHBondContact OE2-CB 3.33Å; E38-R50 IonicContact OE2-CZ 3.58Å; E38-R50 VanDerWaalsContact OE2-CZ 3.29Å; E38-R50 IonicContact OE2-NE 3.45Å; E38-R50 PolarHBondContact OE2-NE 3.48Å; E38-R50 IonicContact OE2-NH2 3.67Å; E38-R50 PolarHBondContact OE2-NH2 2.94Å; E38-R50 VanDerWaalsContact OE2-NH2 3.1Å; R50-L52 HydrophobicContact CG-CD2 4.38Å
51	C	93.4	Very high	81.8	Confident	52 Å²	52	92.8 Å²	92.8	35%	0.351	47%	0.472	S	S	.	.			trans	-82.2	119.7	173.2	-70.1	0	0	0	0	110	L53	C51-L53 VanDerWaalsContact C-N 3.34Å
52	L	94.7	Very high	83.9	Confident	23 Å²	23	86 Å²	86	12%	0.12	44%	0.439	C	S	.	.	S	Bend	trans	-85.7	-10.9	175.6	-55.5	-176.7	0	0	0	112.8	R50 F84 A89 L140	R50-L52 HydrophobicContact CG-CD2 4.38Å; L52-F84 PolarHBondContact O-N 3.27Å; L52-A89 HydrophobicContact CD1-CB 3.86Å; L52-L140 HydrophobicContact CD1-CD1 4.19Å
53	L	94.8	Very high	85.8	Confident	57 Å²	57	84.6 Å²	84.6	30%	0.298	43%	0.433	S	S	.	.	S	Bend	trans	-104.7	144.6	173.4	-62.2	-179.1	0	0	0	109.8	C51 S55 R57 C81 F146	C51-L53 VanDerWaalsContact C-N 3.34Å; L53-S55 VanDerWaalsContact C-N 3.29Å; L53-S55 PolarHBondContact O-N 2.94Å; L53-R57 HydrophobicContact CD1-CB 4.5Å; L53-C81 HydrophobicContact CD2-CB 4.19Å; L53-F146 HydrophobicContact CD2-CE1 3.84Å; L53-F146 HydrophobicContact CD2-CZ 3.83Å
54	K	92.3	Very high	87.9	Confident	166 Å²	166	85.6 Å²	85.6	72%	0.722	43%	0.427	S	S	*	.	S	Bend	trans	-64.8	-35.1	178.2	-176.4	174.3	178.4	179.3	0	112.6	F84	K54-F84 HydrophobicContact CB-CB 3.86Å; K54-F84 HydrophobicContact CB-CD1 4.35Å; K54-F84 HydrophobicContact CB-CD2 3.82Å; K54-F84 HydrophobicContact CB-CG 3.74Å; K54-F84 HydrophobicContact CD-CD2 4.17Å; K54-F84 HydrophobicContact CD-CE2 4.28Å; K54-F84 HydrophobicContact CG-CD2 4.07Å; K54-F84 HydrophobicContact CG-CE2 4.29Å; K54-F84 HydrophobicContact CG-CG 4.33Å; K54-F84 VanDerWaalsContact N-CB 3.33Å
55	S	92.6	Very high	89.7	Confident	79 Å²	79	81.4 Å²	81.4	55%	0.552	40%	0.402	S	S	*	.	S	Bend	trans	-149.9	158.1	-178.6	60.4	0	0	0	0	109.5	L53	L53-S55 VanDerWaalsContact C-N 3.29Å; L53-S55 PolarHBondContact O-N 2.94Å
56	P	94.2	Very high	90.9	Very high	72 Å²	72	86.2 Å²	86.2	47%	0.468	43%	0.433	S	S	.	.			trans	-54.2	145.1	173.2	-23.7	33.9	0	0	0	111.8	W95	P56-W95 HydrophobicContact CB-CH2 3.68Å; P56-W95 HydrophobicContact CB-CZ2 3.5Å; P56-W95 VanDerWaalsContact CB-CZ2 3.5Å; P56-W95 HydrophobicContact CG-CH2 3.61Å; P56-W95 HydrophobicContact CG-CZ2 3.48Å; P56-W95 VanDerWaalsContact CG-CZ2 3.48Å
57	R	95.1	Very high	91.7	Very high	155 Å²	155	87.7 Å²	87.7	59%	0.585	45%	0.445	S	S	*	.			trans	-106.6	129	177	-173	62.6	170.5	170	-2.7	109.6	L53 V59 L79	L53-R57 HydrophobicContact CD1-CB 4.5Å; R57-V59 PolarHBondContact O-N 2.97Å; R57-L79 HydrophobicContact CG-CD2 4.33Å
58	S	95.6	Very high	91.7	Very high	99 Å²	99	90.5 Å²	90.5	69%	0.692	47%	0.474	S	S	*	.			trans	-70.3	118.1	170.6	-174.2	0	0	0	0	109.4	L79	S58-L79 WeakPolarHBondContact O-CD2 3.4Å
59	V	95.3	Very high	91.6	Very high	43 Å²	43	93 Å²	93	26%	0.261	49%	0.49	S	S	.	.			trans	-85.5	-56	-176.3	175.7	0	0	0	0	110.8	R57 L77 L79 Y150 F159	R57-V59 PolarHBondContact O-N 2.97Å; V59-L77 WeakPolarHBondContact O-CD1 3.41Å; V59-L79 HydrophobicContact CG1-CD1 4.04Å; V59-Y150 HydrophobicContact CG1-CD1 3.81Å; V59-Y150 HydrophobicContact CG1-CD2 3.61Å; V59-Y150 HydrophobicContact CG1-CE1 4.24Å; V59-Y150 HydrophobicContact CG1-CE2 4.08Å; V59-Y150 HydrophobicContact CG1-CG 3.42Å; V59-Y150 VanDerWaalsContact CG1-CG 3.42Å; V59-F159 HydrophobicContact CG1-CE1 3.91Å; V59-F159 HydrophobicContact CG1-CZ 4.41Å; V59-F159 HydrophobicContact CG2-CE1 4.06Å
60	K	94.7	Very high	91.6	Very high	77 Å²	77	95.1 Å²	95.1	34%	0.335	50%	0.501	S	S	.	.			trans	-147	145	-175.6	-175.2	71.8	-177.5	-171.2	0	109.9	F62 D75 L77 Y150	K60-F62 HydrophobicContact CB-CE2 4.26Å; K60-F62 HydrophobicContact CB-CZ 4.47Å; K60-F62 HydrophobicContact CG-CD2 4.31Å; K60-F62 HydrophobicContact CG-CE1 4.1Å; K60-F62 HydrophobicContact CG-CE2 3.82Å; K60-F62 HydrophobicContact CG-CZ 3.71Å; K60-D75 IonicContact NZ-OD2 3.76Å; K60-D75 PolarHBondContact NZ-OD2 2.58Å; K60-L77 HydrophobicContact CB-CD2 4.22Å; K60-L77 HydrophobicContact CD-CD2 3.54Å; K60-L77 HydrophobicContact CG-CD2 4.4Å; K60-Y150 HydrophobicContact CB-CE1 3.88Å; K60-Y150 HydrophobicContact CG-CE1 4.19Å
61	R	94.1	Very high	91.6	Very high	217 Å²	217	91.2 Å²	91.2	82%	0.819	49%	0.489	S	S	*	.			trans	-111.5	127.2	166.7	-177	176.9	-179	170	1.6	109
62	F	93.7	Very high	91.4	Very high	62 Å²	62	94.7 Å²	94.7	27%	0.272	50%	0.499	S	S	.	.			trans	-97.5	135.5	170.2	-63.2	-80.6	0	0	0	109.3	K60 F64 I71 H152	K60-F62 HydrophobicContact CB-CE2 4.26Å; K60-F62 HydrophobicContact CB-CZ 4.47Å; K60-F62 HydrophobicContact CG-CD2 4.31Å; K60-F62 HydrophobicContact CG-CE1 4.1Å; K60-F62 HydrophobicContact CG-CE2 3.82Å; K60-F62 HydrophobicContact CG-CZ 3.71Å; F62-F64 HydrophobicContact CB-CE1 4.31Å; F62-F64 HydrophobicContact CB-CE2 3.97Å; F62-F64 HydrophobicContact CB-CZ 3.78Å; F62-I71 HydrophobicContact CD1-CG2 4.27Å; F62-H152 AromaticContact CE1-CE1 3.66Å; F62-H152 AromaticContact CE1-NE2 3.73Å; F62-H152 AromaticContact CZ-CE1 3.97Å; F62-H152 AromaticContact CZ-NE2 3.89Å
63	N	92.1	Very high	91.3	Very high	90 Å²	90	98.9 Å²	98.9	48%	0.481	52%	0.521	S	S	.	.			trans	-107.5	106.9	172.9	-172.6	1.9	0	0	0	108.8	G65 L70 I71	N63-G65 VanDerWaalsContact C-N 3.33Å; N63-G65 PolarHBondContact OD1-N 3.31Å; N63-L70 HydrophobicContact CB-CD1 4.32Å; N63-I71 WeakPolarHBondContact O-CG1 3.46Å
64	F	92	Very high	91.1	Very high	143 Å²	143	99.6 Å²	99.6	63%	0.627	53%	0.525	S	S	*	.			trans	-85.4	-7.3	178.2	-57.6	-74.9	0	0	0	113.2	F62 I71 L98	F62-F64 HydrophobicContact CB-CE1 4.31Å; F62-F64 HydrophobicContact CB-CE2 3.97Å; F62-F64 HydrophobicContact CB-CZ 3.78Å; F64-I71 HydrophobicContact CD1-CD1 3.41Å; F64-I71 VanDerWaalsContact CD1-CD1 3.41Å; F64-I71 HydrophobicContact CE1-CD1 3.79Å; F64-I71 HydrophobicContact CG-CD1 4.35Å; F64-L98 HydrophobicContact CD2-CD1 4.29Å; F64-L98 HydrophobicContact CE2-CD1 4.14Å
65	G	87.5	Confident	91.2	Very high	27 Å²	27	92.8 Å²	92.8	28%	0.278	50%	0.496	S	S	.	.	S	Bend	trans	-65.8	154.6	172.4	0	0	0	0	0	111.2	N63	N63-G65 VanDerWaalsContact C-N 3.33Å; N63-G65 PolarHBondContact OD1-N 3.31Å
66	P	86.4	Confident	91.3	Very high	125 Å²	125	89.2 Å²	89.2	81%	0.812	47%	0.472	S	S	*	.	S	Bend	trans	-60.3	147.3	177.1	25.6	-33.8	0	0	0	111.5
67	P	89	Confident	91.2	Very high	73 Å²	73	87.3 Å²	87.3	47%	0.474	46%	0.457	S	S	.	.	P	Polyproline II helix	cis	-82.3	153.9	0.8	34.4	-36.2	0	0	0	113.5	D69 L70	P67-D69 WeakPolarHBondContact CB-OD1 3.24Å; P67-D69 WeakPolarHBondContact CG-OD1 3.42Å; P67-D69 PolarHBondContact O-N 2.99Å; P67-L70 HydrophobicContact CG-CD1 4.49Å; P67-L70 HydrophobicContact CG-CG 4.07Å; P67-L70 WeakPolarHBondContact O-CB 3.5Å; P67-L70 VanDerWaalsContact O-CG 3.29Å; P67-L70 WeakPolarHBondContact O-CG 3.25Å; P67-L70 PolarHBondContact O-N 3.3Å
68	A	82.1	Confident	91.1	Very high	87 Å²	87	81.4 Å²	81.4	72%	0.719	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-65.4	-22.4	-173.8	0	0	0	0	0	113.9	L70 I71	A68-L70 PolarHBondContact O-N 2.9Å; A68-I71 PolarHBondContact O-N 3.4Å
69	D	85.8	Confident	91	Very high	129 Å²	129	77.5 Å²	77.5	69%	0.69	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-74.4	-3	178.5	63.5	-18.6	0	0	0	113.8	P67 I71	P67-D69 WeakPolarHBondContact CB-OD1 3.24Å; P67-D69 WeakPolarHBondContact CG-OD1 3.42Å; P67-D69 PolarHBondContact O-N 2.99Å; D69-I71 PolarHBondContact O-N 3.3Å
70	L	88.5	Confident	90.9	Very high	89 Å²	89	81.1 Å²	81.1	47%	0.466	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-63.3	-23.7	168	-69.1	179.4	0	0	0	112.8	N63 P67 A68 K72	N63-L70 HydrophobicContact CB-CD1 4.32Å; P67-L70 HydrophobicContact CG-CD1 4.49Å; P67-L70 HydrophobicContact CG-CG 4.07Å; P67-L70 WeakPolarHBondContact O-CB 3.5Å; P67-L70 VanDerWaalsContact O-CG 3.29Å; P67-L70 WeakPolarHBondContact O-CG 3.25Å; P67-L70 PolarHBondContact O-N 3.3Å; A68-L70 PolarHBondContact O-N 2.9Å; L70-K72 PolarHBondContact O-N 3.09Å
71	I	89.3	Confident	90.8	Very high	50 Å²	50	78 Å²	78	26%	0.256	41%	0.41	S	S	.	.	S	Bend	trans	-89.6	102.5	177.9	-54.4	177	0	0	0	108.6	F62 N63 F64 A68 D69 L73	F62-I71 HydrophobicContact CD1-CG2 4.27Å; N63-I71 WeakPolarHBondContact O-CG1 3.46Å; F64-I71 HydrophobicContact CD1-CD1 3.41Å; F64-I71 VanDerWaalsContact CD1-CD1 3.41Å; F64-I71 HydrophobicContact CE1-CD1 3.79Å; F64-I71 HydrophobicContact CG-CD1 4.35Å; A68-I71 PolarHBondContact O-N 3.4Å; D69-I71 PolarHBondContact O-N 3.3Å; I71-L73 PolarHBondContact O-N 3.44Å
72	K	90.7	Very high	90.8	Very high	125 Å²	125	71.4 Å²	71.4	54%	0.543	39%	0.394	S	S	.	.			trans	-67.7	125.5	168.6	-66.3	-175.8	179.5	-176.4	0	109.3	L70 N74 D75 H152	L70-K72 PolarHBondContact O-N 3.09Å; K72-N74 VanDerWaalsContact C-N 3.32Å; K72-D75 HydrophobicContact CB-CB 4.15Å; K72-D75 HydrophobicContact CD-CB 4.31Å; K72-D75 WeakPolarHBondContact CD-OD1 3.44Å; K72-D75 IonicContact NZ-OD1 3.66Å; K72-D75 PolarHBondContact NZ-OD1 2.92Å; K72-H152 PolarHBondContact O-CE1 2.98Å
73	L	90.9	Very high	90.9	Very high	111 Å²	111	68.5 Å²	68.5	58%	0.581	38%	0.382	S	S	*	.	S	Bend	trans	-76.4	-20	177.1	-63.1	-178.2	0	0	0	113.2	I71 D153 S154	I71-L73 PolarHBondContact O-N 3.44Å; L73-D153 CarbonylContact O-C 3.59Å; L73-D153 WeakPolarHBondContact O-CA 3.18Å; L73-S154 PolarHBondContact O-N 3.32Å
74	N	92.3	Very high	91	Very high	73 Å²	73	68.1 Å²	68.1	39%	0.39	38%	0.376	S	S	.	.	S	Bend	trans	-134.3	123	172.6	-59.1	-89.1	0	0	0	106.9	K72 H152 D153 V178	K72-N74 VanDerWaalsContact C-N 3.32Å; N74-H152 WeakPolarHBondContact CA-O 3.48Å; N74-D153 WeakPolarHBondContact OD1-CB 3.31Å; N74-V178 HydrophobicContact CB-CB 4.37Å; N74-V178 HydrophobicContact CB-CG1 4.42Å
75	D	93.2	Very high	91.1	Very high	23 Å²	23	64.5 Å²	64.5	12%	0.123	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	155.5	-179.2	-152.6	24.9	0	0	0	110.6	K60 K72 H152	K60-D75 IonicContact NZ-OD2 3.76Å; K60-D75 PolarHBondContact NZ-OD2 2.58Å; K72-D75 HydrophobicContact CB-CB 4.15Å; K72-D75 HydrophobicContact CD-CB 4.31Å; K72-D75 WeakPolarHBondContact CD-OD1 3.44Å; K72-D75 IonicContact NZ-OD1 3.66Å; K72-D75 PolarHBondContact NZ-OD1 2.92Å; D75-H152 WeakPolarHBondContact CB-NE2 3.46Å; D75-H152 PolarHBondContact N-O 2.89Å; D75-H152 VanDerWaalsContact N-O 3.07Å; D75-H152 PolarHBondContact O-N 2.83Å
76	A	94.2	Very high	91.4	Very high	4 Å²	4	65 Å²	65	3%	0.033	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	141.7	177.3	0	0	0	0	0	109.9	Y150 L151 T173 L176 V178	A76-Y150 WeakPolarHBondContact CA-O 3.36Å; A76-L151 HydrophobicContact CB-CD2 3.67Å; A76-T173 WeakPolarHBondContact O-CB 3.24Å; A76-T173 PolarHBondContact O-OG1 3.08Å; A76-L176 HydrophobicContact CB-CD2 3.56Å; A76-V178 HydrophobicContact CB-CG2 4.15Å
77	L	93.2	Very high	91.8	Very high	32 Å²	32	59.5 Å²	59.5	17%	0.168	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	142.7	173.9	65.3	99.4	0	0	0	110.6	V59 K60 L79 Y150	V59-L77 WeakPolarHBondContact O-CD1 3.41Å; K60-L77 HydrophobicContact CB-CD2 4.22Å; K60-L77 HydrophobicContact CD-CD2 3.54Å; K60-L77 HydrophobicContact CG-CD2 4.4Å; L77-L79 HydrophobicContact CD1-CD1 3.27Å; L77-L79 HydrophobicContact CD1-CD2 3.85Å; L77-L79 HydrophobicContact CD1-CG 3.32Å; L77-Y150 HydrophobicContact CD1-CD1 4.4Å; L77-Y150 HydrophobicContact CD2-CD1 3.53Å; L77-Y150 HydrophobicContact CD2-CE1 4.09Å; L77-Y150 HydrophobicContact CG-CD1 3.74Å; L77-Y150 HydrophobicContact CG-CG 4.38Å; L77-Y150 PolarHBondContact N-O 2.82Å; L77-Y150 PolarHBondContact O-N 3.17Å
78	D	93.2	Very high	92	Very high	30 Å²	30	58.6 Å²	58.6	16%	0.16	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.5	175.1	-67.4	-19	0	0	0	108.4	M147 V148 R149 P171 T173	D78-M147 VanDerWaalsContact C-CE 3.49Å; D78-M147 HydrophobicContact CB-CE 3.5Å; D78-V148 CarbonylContact C-O 3.5Å; D78-V148 WeakPolarHBondContact CA-O 3.39Å; D78-R149 WeakPolarHBondContact OD1-CA 3.34Å; D78-R149 WeakPolarHBondContact OD1-CB 3.34Å; D78-R149 WeakPolarHBondContact OD1-CG 3.39Å; D78-R149 IonicContact OD1-CZ 2.68Å; D78-R149 IonicContact OD1-NE 2.76Å; D78-R149 PolarHBondContact OD1-NE 2.75Å; D78-R149 IonicContact OD1-NH2 2.67Å; D78-R149 IonicContact OD2-CZ 3.63Å; D78-R149 IonicContact OD2-NE 3.44Å; D78-R149 IonicContact OD2-NH2 3.1Å; D78-R149 PolarHBondContact OD2-NH2 3.37Å; D78-P171 VanDerWaalsContact OD2-CB 3.29Å; D78-P171 WeakPolarHBondContact OD2-CB 3.38Å; D78-P171 VanDerWaalsContact OD2-CG 3.25Å; D78-P171 WeakPolarHBondContact OD2-CG 3.48Å; D78-T173 HydrophobicContact CB-CG2 4.48Å
79	L	92.8	Very high	92.5	Very high	18 Å²	18	55 Å²	55	9%	0.094	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.2	179.1	-58.1	113	0	0	0	110.5	R57 S58 V59 L77 M147 V148	R57-L79 HydrophobicContact CG-CD2 4.33Å; S58-L79 WeakPolarHBondContact O-CD2 3.4Å; V59-L79 HydrophobicContact CG1-CD1 4.04Å; L77-L79 HydrophobicContact CD1-CD1 3.27Å; L77-L79 HydrophobicContact CD1-CD2 3.85Å; L77-L79 HydrophobicContact CD1-CG 3.32Å; L79-M147 VanDerWaalsContact C-CE 3.46Å; L79-M147 CarbonylContact O-C 3.59Å; L79-M147 WeakPolarHBondContact O-CA 3.43Å; L79-V148 HydrophobicContact CB-CB 4.49Å; L79-V148 HydrophobicContact CD1-CB 4.42Å; L79-V148 HydrophobicContact CD1-CG1 4.45Å; L79-V148 PolarHBondContact N-O 2.82Å; L79-V148 PolarHBondContact O-N 3.29Å
80	E	92.7	Very high	92.8	Very high	119 Å²	119	52.3 Å²	52.3	56%	0.556	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	125.8	165.2	-168	174.2	-165.4	0	0	109.7	M147	E80-M147 WeakPolarHBondContact CA-SD 3.39Å; E80-M147 HydrophobicContact CB-CE 4.32Å; E80-M147 HydrophobicContact CB-SD 3.61Å; E80-M147 HydrophobicContact CG-SD 4.01Å
81	C	94	Very high	93.1	Very high	10 Å²	10	50 Å²	50	7%	0.068	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	152.5	177.1	-70.8	0	0	0	0	109	L53 S145 F146	L53-C81 HydrophobicContact CD2-CB 4.19Å; C81-S145 CarbonylContact O-C 3.51Å; C81-S145 VanDerWaalsContact O-CA 3.23Å; C81-S145 WeakPolarHBondContact O-CA 3.48Å; C81-F146 HydrophobicContact CB-CD1 3.95Å; C81-F146 HydrophobicContact CB-CD2 4.39Å; C81-F146 HydrophobicContact CB-CE1 3.48Å; C81-F146 VanDerWaalsContact CB-CE1 3.48Å; C81-F146 HydrophobicContact CB-CE2 3.98Å; C81-F146 HydrophobicContact CB-CG 4.39Å; C81-F146 HydrophobicContact CB-CZ 3.51Å; C81-F146 PolarHBondContact N-O 2.94Å; C81-F146 PolarHBondContact O-N 3.04Å
82	T	94.1	Very high	93.4	Very high	79 Å²	79	49.1 Å²	49.1	49%	0.485	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.4	172.9	-52.3	0	0	0	0	108.9
83	T	94.6	Very high	93.7	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.012	25%	0.246	C	C	.	.			trans	-69.5	129.4	-178.9	-57.4	0	0	0	0	110.4	E85 L140 I141 N143 E144 F146	T83-E85 WeakPolarHBondContact CG2-O 3.38Å; T83-L140 HydrophobicContact CG2-CB 3.9Å; T83-I141 VanDerWaalsContact CB-O 3.3Å; T83-I141 WeakPolarHBondContact CB-O 3.33Å; T83-N143 WeakPolarHBondContact O-CA 3.28Å; T83-N143 PolarHBondContact O-N 3.39Å; T83-E144 PolarHBondContact N-O 3.07Å; T83-E144 PolarHBondContact OG1-O 2.91Å; T83-F146 VanDerWaalsContact OG1-CD1 3.26Å; T83-F146 WeakPolarHBondContact OG1-CD1 3.15Å; T83-F146 WeakPolarHBondContact OG1-CE1 3.39Å
84	F	95.1	Very high	94	Very high	81 Å²	81	40.9 Å²	40.9	36%	0.355	23%	0.226	S	C	.	.	S	Bend	trans	-88	-35.7	177.7	175.3	-113.8	0	0	0	112.8	L52 K54 K142	L52-F84 PolarHBondContact O-N 3.27Å; K54-F84 HydrophobicContact CB-CB 3.86Å; K54-F84 HydrophobicContact CB-CD1 4.35Å; K54-F84 HydrophobicContact CB-CD2 3.82Å; K54-F84 HydrophobicContact CB-CG 3.74Å; K54-F84 HydrophobicContact CD-CD2 4.17Å; K54-F84 HydrophobicContact CD-CE2 4.28Å; K54-F84 HydrophobicContact CG-CD2 4.07Å; K54-F84 HydrophobicContact CG-CE2 4.29Å; K54-F84 HydrophobicContact CG-CG 4.33Å; K54-F84 VanDerWaalsContact N-CB 3.33Å; F84-K142 WeakPolarHBondContact O-CD 3.22Å; F84-K142 WeakPolarHBondContact O-CE 3.2Å; F84-K142 VanDerWaalsContact O-CG 3.31Å; F84-K142 WeakPolarHBondContact O-CG 3.22Å
85	E	92.9	Very high	94.2	Very high	68 Å²	68	40.5 Å²	40.5	32%	0.318	22%	0.219	S	C	.	.	S	Bend	trans	-134	141.6	177.3	-72.9	-59.6	153.4	0	0	110.1	T83 K142	T83-E85 WeakPolarHBondContact CG2-O 3.38Å; E85-K142 VanDerWaalsContact CD-NZ 3.33Å; E85-K142 IonicContact OE1-NZ 2.73Å; E85-K142 PolarHBondContact OE1-NZ 3.25Å; E85-K142 IonicContact OE2-NZ 3.28Å; E85-K142 PolarHBondContact OE2-NZ 2.98Å
86	S	94.7	Very high	94.4	Very high	38 Å²	38	44.5 Å²	44.5	27%	0.266	23%	0.232	S	C	.	.			trans	-66.8	141.2	174.9	-59.6	0	0	0	0	110.4	L140 K142	S86-L140 VanDerWaalsContact CA-O 3.26Å; S86-L140 WeakPolarHBondContact CA-O 3.48Å; S86-K142 WeakPolarHBondContact OG-CB 3.3Å; S86-K142 PolarHBondContact OG-N 3.48Å
87	G	93.8	Very high	94.5	Very high	9 Å²	9	48.2 Å²	48.2	9%	0.093	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.1	176.8	176.7	0	0	0	0	0	112.5	L140	G87-L140 PolarHBondContact N-O 2.95Å; G87-L140 PolarHBondContact O-N 3.42Å
88	T	93.4	Very high	94.7	Very high	53 Å²	53	49.5 Å²	49.5	33%	0.325	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	119.9	179.5	-50.8	0	0	0	0	110.6	H90 A137 H138	T88-H90 VanDerWaalsContact CB-NE2 3.29Å; T88-H90 WeakPolarHBondContact CB-NE2 3.42Å; T88-H90 WeakPolarHBondContact CG2-NE2 3.48Å; T88-H90 PolarHBondContact O-CE1 3.15Å; T88-H90 PolarHBondContact O-N 3Å; T88-H90 PolarHBondContact O-ND1 2.9Å; T88-A137 HydrophobicContact CG2-CB 3.69Å; T88-H138 CarbonylContact C-O 3.56Å; T88-H138 WeakPolarHBondContact CA-O 3.25Å
89	A	94	Very high	94.8	Very high	13 Å²	13	51.2 Å²	51.2	11%	0.107	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	102.1	173.6	0	0	0	0	0	109.7	L52 A137 H138 L140 I161	L52-A89 HydrophobicContact CD1-CB 3.86Å; A89-A137 WeakPolarHBondContact O-CA 3.29Å; A89-H138 PolarHBondContact N-O 3.46Å; A89-H138 PolarHBondContact O-N 3.12Å; A89-L140 HydrophobicContact CB-CD1 3.81Å; A89-L140 HydrophobicContact CB-CG 4.19Å; A89-I161 HydrophobicContact CB-CD1 3.53Å
90	H	91.8	Very high	94.8	Very high	71 Å²	71	55.4 Å²	55.4	33%	0.329	29%	0.292	S	S	.	.			trans	-94.3	-28.5	-178.1	-60.2	126.1	0	0	0	113.8	P4 T88 P134	P4-H90 WeakPolarHBondContact CA-CD2 3.46Å; P4-H90 WeakPolarHBondContact CB-CD2 3.04Å; P4-H90 VanDerWaalsContact CB-NE2 3.3Å; P4-H90 WeakPolarHBondContact CB-NE2 3.06Å; T88-H90 VanDerWaalsContact CB-NE2 3.29Å; T88-H90 WeakPolarHBondContact CB-NE2 3.42Å; T88-H90 WeakPolarHBondContact CG2-NE2 3.48Å; T88-H90 PolarHBondContact O-CE1 3.15Å; T88-H90 PolarHBondContact O-N 3Å; T88-H90 PolarHBondContact O-ND1 2.9Å; H90-P134 WeakPolarHBondContact O-CD 3.43Å
91	A	94.2	Very high	94.8	Very high	40 Å²	40	51.6 Å²	51.6	33%	0.331	27%	0.274	S	S	.	.			trans	-159.6	162.5	-171.1	0	0	0	0	0	111.5	V131 Y132 F133	A91-V131 HydrophobicContact CB-CG1 3.74Å; A91-Y132 CarbonylContact C-O 3.54Å; A91-Y132 VanDerWaalsContact CA-O 3.24Å; A91-Y132 WeakPolarHBondContact CA-O 3.45Å; A91-Y132 WeakPolarHBondContact CB-O 3.49Å; A91-F133 HydrophobicContact CB-CD1 3.95Å; A91-F133 HydrophobicContact CB-CE1 4.01Å
92	F	95.7	Very high	94.5	Very high	32 Å²	32	57 Å²	57	14%	0.14	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.3	169.5	-56.5	-85.9	0	0	0	109	V94 V131 Y132 P134 V148 F159 I161	F92-V94 HydrophobicContact CB-CG2 4.18Å; F92-V131 WeakPolarHBondContact O-CA 2.98Å; F92-Y132 PolarHBondContact N-O 2.77Å; F92-Y132 PolarHBondContact O-N 3.43Å; F92-P134 HydrophobicContact CE2-CB 3.86Å; F92-P134 HydrophobicContact CE2-CG 4.26Å; F92-P134 HydrophobicContact CZ-CB 4.43Å; F92-V148 HydrophobicContact CD1-CG1 4.45Å; F92-V148 HydrophobicContact CE1-CB 4.45Å; F92-V148 HydrophobicContact CE1-CG1 3.66Å; F92-V148 HydrophobicContact CE1-CG2 3.89Å; F92-V148 HydrophobicContact CZ-CG1 3.98Å; F92-V148 HydrophobicContact CZ-CG2 4.49Å; F92-F159 HydrophobicContact CD1-CB 4.47Å; F92-F159 HydrophobicContact CD2-CB 3.39Å; F92-F159 HydrophobicContact CD2-CG 4.17Å; F92-F159 HydrophobicContact CE2-CB 3.44Å; F92-F159 VanDerWaalsContact CE2-CB 3.44Å; F92-F159 HydrophobicContact CG-CB 3.92Å; F92-F159 HydrophobicContact CG-CD1 4.49Å; F92-F159 HydrophobicContact CG-CG 4.25Å; F92-F159 HydrophobicContact CZ-CB 4.02Å; F92-I161 HydrophobicContact CE1-CG1 4.37Å; F92-I161 HydrophobicContact CE2-CG1 4.49Å; F92-I161 HydrophobicContact CZ-CD1 4.19Å; F92-I161 HydrophobicContact CZ-CG1 3.64Å
93	V	96.7	Very high	94.3	Very high	37 Å²	37	57.5 Å²	57.5	22%	0.224	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	124.4	168	177.7	0	0	0	0	107.9	V32 L49 W95	V32-V93 HydrophobicContact CB-CG1 4.4Å; V32-V93 HydrophobicContact CG1-CG1 3.74Å; V32-V93 HydrophobicContact CG1-CG2 4.47Å; V32-V93 HydrophobicContact CG2-CG1 4.13Å; L49-V93 HydrophobicContact CD1-CG2 4.48Å; L49-V93 HydrophobicContact CD2-CG2 4.12Å; V93-W95 HydrophobicContact CB-CZ3 4.29Å; V93-W95 HydrophobicContact CG1-CE3 3.86Å; V93-W95 HydrophobicContact CG1-CZ3 3.71Å
94	V	97.2	Very high	94	Very high	27 Å²	27	63 Å²	63	16%	0.164	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	137	-172.4	-175.9	0	0	0	0	110.1	F92 A130 Y132 F159	F92-V94 HydrophobicContact CB-CG2 4.18Å; V94-A130 HydrophobicContact CB-CB 4.5Å; V94-A130 PolarHBondContact N-O 2.81Å; V94-A130 PolarHBondContact O-N 3.12Å; V94-Y132 HydrophobicContact CB-CD2 4.06Å; V94-Y132 HydrophobicContact CB-CE2 4.05Å; V94-Y132 HydrophobicContact CG1-CE2 4.43Å; V94-Y132 HydrophobicContact CG2-CD2 3.63Å; V94-Y132 HydrophobicContact CG2-CE2 4.07Å; V94-F159 HydrophobicContact CG1-CE2 4.46Å; V94-F159 HydrophobicContact CG1-CZ 4.16Å; V94-F159 HydrophobicContact CG2-CD2 4.38Å; V94-F159 HydrophobicContact CG2-CE1 4.37Å; V94-F159 HydrophobicContact CG2-CE2 3.73Å; V94-F159 HydrophobicContact CG2-CZ 3.71Å
95	W	97.5	Very high	93.9	Very high	64 Å²	64	64.3 Å²	64.3	24%	0.242	36%	0.357	C	S	.	.			trans	-150.1	173.9	172.8	64.9	92.6	0	0	0	108.8	P56 V93 V111 A112 P113 W115 V116 Q129	P56-W95 HydrophobicContact CB-CH2 3.68Å; P56-W95 HydrophobicContact CB-CZ2 3.5Å; P56-W95 VanDerWaalsContact CB-CZ2 3.5Å; P56-W95 HydrophobicContact CG-CH2 3.61Å; P56-W95 HydrophobicContact CG-CZ2 3.48Å; P56-W95 VanDerWaalsContact CG-CZ2 3.48Å; V93-W95 HydrophobicContact CB-CZ3 4.29Å; V93-W95 HydrophobicContact CG1-CE3 3.86Å; V93-W95 HydrophobicContact CG1-CZ3 3.71Å; W95-V111 HydrophobicContact CB-CG2 4.17Å; W95-V111 WeakPolarHBondContact CB-O 3.37Å; W95-A112 VanDerWaalsContact CD1-CA 3.45Å; W95-A112 HydrophobicContact CG-CB 4.5Å; W95-P113 HydrophobicContact CE3-CG 4.21Å; W95-P113 HydrophobicContact CZ3-CG 4.4Å; W95-W115 HydrophobicContact CH2-CH2 4.37Å; W95-W115 HydrophobicContact CZ3-CH2 4.41Å; W95-V116 HydrophobicContact CH2-CG2 4.18Å; W95-V116 HydrophobicContact CZ2-CG2 3.95Å; W95-Q129 HydrophobicContact CB-CG 3.88Å
96	W	97.4	Very high	93.9	Very high	107 Å²	107	64.3 Å²	64.3	41%	0.405	36%	0.361	S	S	.	.			trans	-132.6	167.4	-179.1	50.4	-97.2	0	0	0	111.5	L98 I109 V111 W127	W96-L98 HydrophobicContact CE3-CB 4.3Å; W96-L98 HydrophobicContact CZ3-CB 4.02Å; W96-I109 HydrophobicContact CZ3-CG2 4.19Å; W96-V111 HydrophobicContact CD2-CG2 3.48Å; W96-V111 VanDerWaalsContact CD2-CG2 3.48Å; W96-V111 HydrophobicContact CE3-CG2 3.9Å; W96-V111 HydrophobicContact CG-CG2 3.79Å; W96-V111 HydrophobicContact CH2-CG1 4.21Å; W96-V111 HydrophobicContact CH2-CG2 4.39Å; W96-V111 HydrophobicContact CZ2-CG1 4.13Å; W96-V111 HydrophobicContact CZ2-CG2 4.01Å; W96-V111 HydrophobicContact CZ3-CG2 4.33Å; W96-V111 WeakPolarHBondContact O-CG2 3.29Å; W96-V111 PolarHBondContact O-N 2.86Å; W96-W127 AromaticContact CH2-CD2 3.58Å; W96-W127 HydrophobicContact CH2-CD2 3.58Å; W96-W127 AromaticContact CH2-CE3 3.52Å; W96-W127 HydrophobicContact CH2-CE3 3.52Å; W96-W127 HydrophobicContact CH2-CG 4.08Å; W96-W127 HydrophobicContact CH2-CH2 4.35Å; W96-W127 HydrophobicContact CH2-CZ2 4.38Å; W96-W127 AromaticContact CH2-CZ3 3.94Å; W96-W127 HydrophobicContact CH2-CZ3 3.94Å; W96-W127 HydrophobicContact CZ2-CB 4.04Å; W96-W127 AromaticContact CZ2-CD2 3.7Å; W96-W127 HydrophobicContact CZ2-CD2 3.7Å; W96-W127 HydrophobicContact CZ2-CE3 4.08Å; W96-W127 AromaticContact CZ2-CG 3.68Å; W96-W127 HydrophobicContact CZ2-CG 3.68Å
97	S	96.6	Very high	93.9	Very high	82 Å²	82	66.5 Å²	66.5	57%	0.573	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133	147.1	164.8	60.3	0	0	0	0	109.3	I109	S97-I109 CarbonylContact C-O 3.6Å; S97-I109 WeakPolarHBondContact CA-O 3.43Å; S97-I109 WeakPolarHBondContact CB-O 3.35Å
98	L	96.2	Very high	93.9	Very high	59 Å²	59	67.7 Å²	67.7	31%	0.309	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	110.6	-178.6	-178.7	64.4	0	0	0	109.4	F64 W96 M100 P108 I109	F64-L98 HydrophobicContact CD2-CD1 4.29Å; F64-L98 HydrophobicContact CE2-CD1 4.14Å; W96-L98 HydrophobicContact CE3-CB 4.3Å; W96-L98 HydrophobicContact CZ3-CB 4.02Å; L98-M100 HydrophobicContact CD2-SD 3.78Å; L98-M100 HydrophobicContact CG-SD 3.97Å; L98-M100 PolarHBondContact O-N 3.15Å; L98-P108 CarbonylContact O-C 3.58Å; L98-P108 WeakPolarHBondContact O-CA 3.37Å; L98-I109 HydrophobicContact CB-CB 4.32Å; L98-I109 PolarHBondContact N-O 3.22Å; L98-I109 PolarHBondContact O-N 3Å
99	Q	94.7	Very high	94.1	Very high	66 Å²	66	67.2 Å²	67.2	31%	0.308	38%	0.375	S	S	.	.			trans	-77	113.9	170.4	-175.8	57.3	41.1	0	0	108.6	E101 N104 V106	Q99-E101 VanDerWaalsContact C-N 3.34Å; Q99-E101 VanDerWaalsContact CG-O 3.23Å; Q99-E101 WeakPolarHBondContact CG-O 3.47Å; Q99-E101 PolarHBondContact NE2-O 2.95Å; Q99-E101 PolarHBondContact O-N 2.9Å; Q99-N104 PolarHBondContact NE2-OD1 2.83Å; Q99-N104 PolarHBondContact OE1-OD1 3.02Å; Q99-V106 PolarHBondContact NE2-O 2.9Å
100	M	93.7	Very high	94.2	Very high	107 Å²	107	66.6 Å²	66.6	53%	0.527	37%	0.371	S	S	.	.			trans	-73.3	-27	-172	-63	-59	-71.7	0	0	113.1	L98 V106 I109	L98-M100 HydrophobicContact CD2-SD 3.78Å; L98-M100 HydrophobicContact CG-SD 3.97Å; L98-M100 PolarHBondContact O-N 3.15Å; M100-V106 HydrophobicContact CB-CG1 4.33Å; M100-I109 HydrophobicContact CE-CD1 4.31Å; M100-I109 HydrophobicContact CG-CG1 4.38Å; M100-I109 HydrophobicContact SD-CD1 3.66Å; M100-I109 HydrophobicContact SD-CG1 4.06Å
101	E	91.8	Very high	94.5	Very high	38 Å²	38	63.3 Å²	63.3	18%	0.178	36%	0.355	C	S	.	.	S	Bend	trans	-153.9	154.4	-175.6	64.7	74.1	-144.5	0	0	111.1	Q99 T103 N104 T105 V106	Q99-E101 VanDerWaalsContact C-N 3.34Å; Q99-E101 VanDerWaalsContact CG-O 3.23Å; Q99-E101 WeakPolarHBondContact CG-O 3.47Å; Q99-E101 PolarHBondContact NE2-O 2.95Å; Q99-E101 PolarHBondContact O-N 2.9Å; E101-T103 PolarHBondContact O-N 2.85Å; E101-T103 PolarHBondContact OE1-OG1 2.87Å; E101-T103 WeakPolarHBondContact OE2-CA 3.4Å; E101-T103 WeakPolarHBondContact OE2-CB 3.35Å; E101-T103 WeakPolarHBondContact OE2-CG2 3.42Å; E101-T103 PolarHBondContact OE2-N 3.09Å; E101-T103 PolarHBondContact OE2-OG1 2.99Å; E101-N104 VanDerWaalsContact OE1-CA 3.29Å; E101-N104 WeakPolarHBondContact OE1-CA 3.31Å; E101-N104 PolarHBondContact OE1-N 3.44Å; E101-T105 PolarHBondContact OE1-N 2.98Å; E101-T105 PolarHBondContact OE1-OG1 2.82Å; E101-V106 HydrophobicContact CG-CB 3.89Å; E101-V106 HydrophobicContact CG-CG2 3.78Å; E101-V106 PolarHBondContact OE1-N 3.07Å
102	P	88.3	Confident	94.6	Very high	123 Å²	123	61.4 Å²	61.4	80%	0.799	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-14.2	-166.8	29.2	-35.8	0	0	0	115.9
103	T	90.7	Very high	94.6	Very high	90 Å²	90	59.9 Å²	59.9	55%	0.552	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-10	-175	72.3	0	0	0	0	114.1	E101 T105	E101-T103 PolarHBondContact O-N 2.85Å; E101-T103 PolarHBondContact OE1-OG1 2.87Å; E101-T103 WeakPolarHBondContact OE2-CA 3.4Å; E101-T103 WeakPolarHBondContact OE2-CB 3.35Å; E101-T103 WeakPolarHBondContact OE2-CG2 3.42Å; E101-T103 PolarHBondContact OE2-N 3.09Å; E101-T103 PolarHBondContact OE2-OG1 2.99Å; T103-T105 PolarHBondContact O-N 2.73Å; T103-T105 VanDerWaalsContact OG1-CG2 3.29Å; T103-T105 WeakPolarHBondContact OG1-CG2 3.42Å; T103-T105 PolarHBondContact OG1-OG1 2.88Å
104	N	88	Confident	94.4	Very high	118 Å²	118	61.4 Å²	61.4	63%	0.631	35%	0.345	S	S	*	.	S	Bend	trans	58	25.4	-173.8	-51.1	-55.6	0	0	0	114.4	Q99 E101	Q99-N104 PolarHBondContact NE2-OD1 2.83Å; Q99-N104 PolarHBondContact OE1-OD1 3.02Å; E101-N104 VanDerWaalsContact OE1-CA 3.29Å; E101-N104 WeakPolarHBondContact OE1-CA 3.31Å; E101-N104 PolarHBondContact OE1-N 3.44Å
105	T	93.1	Very high	94.2	Very high	109 Å²	109	63.6 Å²	63.6	67%	0.669	35%	0.35	S	S	*	.			trans	-82.4	-28.9	173.9	54.7	0	0	0	0	112.1	E101 T103	E101-T105 PolarHBondContact OE1-N 2.98Å; E101-T105 PolarHBondContact OE1-OG1 2.82Å; T103-T105 PolarHBondContact O-N 2.73Å; T103-T105 VanDerWaalsContact OG1-CG2 3.29Å; T103-T105 WeakPolarHBondContact OG1-CG2 3.42Å; T103-T105 PolarHBondContact OG1-OG1 2.88Å
106	V	93	Very high	93.9	Very high	68 Å²	68	63 Å²	63	41%	0.412	35%	0.354	S	S	.	.	S	Bend	trans	-93.6	126.8	171	-178	0	0	0	0	108.8	Q99 M100 E101	Q99-V106 PolarHBondContact NE2-O 2.9Å; M100-V106 HydrophobicContact CB-CG1 4.33Å; E101-V106 HydrophobicContact CG-CB 3.89Å; E101-V106 HydrophobicContact CG-CG2 3.78Å; E101-V106 PolarHBondContact OE1-N 3.07Å
107	P	93.6	Very high	93.7	Very high	83 Å²	83	60.8 Å²	60.8	54%	0.539	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-55.9	139.4	175.4	-24	33	0	0	0	111.7	N120	P107-N120 WeakPolarHBondContact CB-OD1 3.44Å
108	P	95.2	Very high	93.6	Very high	34 Å²	34	59 Å²	59	22%	0.221	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-66.6	150.8	178.6	28.9	-34.8	0	0	0	110.5	L98 S110 N120	L98-P108 CarbonylContact O-C 3.58Å; L98-P108 WeakPolarHBondContact O-CA 3.37Å; P108-S110 PolarHBondContact O-N 3.32Å; P108-N120 WeakPolarHBondContact O-CB 3.47Å
109	I	96.6	Very high	93.5	Very high	43 Å²	43	61.8 Å²	61.8	22%	0.221	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	122.6	164.5	-62.2	176.9	0	0	0	107.4	W96 S97 L98 M100 W127	W96-I109 HydrophobicContact CZ3-CG2 4.19Å; S97-I109 CarbonylContact C-O 3.6Å; S97-I109 WeakPolarHBondContact CA-O 3.43Å; S97-I109 WeakPolarHBondContact CB-O 3.35Å; L98-I109 HydrophobicContact CB-CB 4.32Å; L98-I109 PolarHBondContact N-O 3.22Å; L98-I109 PolarHBondContact O-N 3Å; M100-I109 HydrophobicContact CE-CD1 4.31Å; M100-I109 HydrophobicContact CG-CG1 4.38Å; M100-I109 HydrophobicContact SD-CD1 3.66Å; M100-I109 HydrophobicContact SD-CG1 4.06Å; I109-W127 HydrophobicContact CD1-CZ3 4.41Å; I109-W127 HydrophobicContact CG2-CE3 4.43Å; I109-W127 HydrophobicContact CG2-CZ3 3.98Å
110	S	96.9	Very high	93.5	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.007	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.7	175.1	-172.8	0	0	0	0	111.3	P108 A112 D118 R124	P108-S110 PolarHBondContact O-N 3.32Å; S110-A112 WeakPolarHBondContact OG-CB 3.49Å; S110-A112 PolarHBondContact OG-N 2.91Å; S110-D118 WeakPolarHBondContact CB-OD2 3.22Å; S110-D118 PolarHBondContact OG-OD2 2.86Å; S110-R124 PolarHBondContact O-NH2 2.82Å
111	V	97.2	Very high	93.5	Very high	2 Å²	2	58 Å²	58	1%	0.012	36%	0.357	C	S	.	.			trans	-109.5	26.8	166.4	-74.5	0	0	0	0	110.9	W95 W96 W127 Q129	W95-V111 HydrophobicContact CB-CG2 4.17Å; W95-V111 WeakPolarHBondContact CB-O 3.37Å; W96-V111 HydrophobicContact CD2-CG2 3.48Å; W96-V111 VanDerWaalsContact CD2-CG2 3.48Å; W96-V111 HydrophobicContact CE3-CG2 3.9Å; W96-V111 HydrophobicContact CG-CG2 3.79Å; W96-V111 HydrophobicContact CH2-CG1 4.21Å; W96-V111 HydrophobicContact CH2-CG2 4.39Å; W96-V111 HydrophobicContact CZ2-CG1 4.13Å; W96-V111 HydrophobicContact CZ2-CG2 4.01Å; W96-V111 HydrophobicContact CZ3-CG2 4.33Å; W96-V111 WeakPolarHBondContact O-CG2 3.29Å; W96-V111 PolarHBondContact O-N 2.86Å; V111-W127 HydrophobicContact CG1-CB 3.83Å; V111-Q129 WeakPolarHBondContact O-CG 3.45Å; V111-Q129 PolarHBondContact O-NE2 3.5Å
112	A	96.9	Very high	93.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	37%	0.37	C	S	.	.			trans	-61.4	140.3	172.7	0	0	0	0	0	111.2	W95 S110 V116 D118 S121	W95-A112 VanDerWaalsContact CD1-CA 3.45Å; W95-A112 HydrophobicContact CG-CB 4.5Å; S110-A112 WeakPolarHBondContact OG-CB 3.49Å; S110-A112 PolarHBondContact OG-N 2.91Å; A112-V116 HydrophobicContact CB-CB 4.21Å; A112-V116 HydrophobicContact CB-CG1 4.26Å; A112-V116 HydrophobicContact CB-CG2 4.41Å; A112-D118 HydrophobicContact CB-CB 3.93Å; A112-S121 WeakPolarHBondContact O-CB 3.11Å; A112-S121 PolarHBondContact O-OG 3.44Å
113	P	95.8	Very high	93.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	34%	0.342	C	S	.	.			trans	-54.7	150	171.7	-23.8	31.1	0	0	0	112.7	V32 S33 W95 W115 V116 Q129	V32-P113 HydrophobicContact CB-CG 4.17Å; V32-P113 HydrophobicContact CG1-CB 4.27Å; V32-P113 HydrophobicContact CG1-CG 3.92Å; S33-P113 WeakPolarHBondContact OG-CA 3.36Å; W95-P113 HydrophobicContact CE3-CG 4.21Å; W95-P113 HydrophobicContact CZ3-CG 4.4Å; P113-W115 VanDerWaalsContact C-N 3.25Å; P113-W115 HydrophobicContact CB-CD2 3.89Å; P113-W115 HydrophobicContact CB-CG 4.25Å; P113-W115 HydrophobicContact CB-CH2 4.36Å; P113-W115 HydrophobicContact CB-CZ2 3.65Å; P113-W115 HydrophobicContact CG-CH2 4.1Å; P113-W115 HydrophobicContact CG-CZ2 3.58Å; P113-W115 PolarHBondContact O-N 3.22Å; P113-V116 HydrophobicContact CB-CG2 4.32Å; P113-V116 HydrophobicContact CG-CG2 4.36Å; P113-V116 WeakPolarHBondContact O-CB 3.1Å; P113-V116 PolarHBondContact O-N 2.89Å; P113-Q129 HydrophobicContact CG-CG 3.91Å
114	S	93	Very high	94	Very high	69 Å²	69	53.2 Å²	53.2	48%	0.483	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-52.9	-39.8	-178.3	61.2	0	0	0	0	113.7	S33 V116 G117	S33-S114 WeakPolarHBondContact CB-OG 3.31Å; S33-S114 PolarHBondContact O-OG 3.5Å; S33-S114 PolarHBondContact OG-N 3.46Å; S114-V116 PolarHBondContact O-N 2.92Å; S114-G117 PolarHBondContact O-N 3.06Å; S114-G117 VanDerWaalsContact O-N 3.09Å
115	W	91.4	Very high	94.4	Very high	72 Å²	72	49.5 Å²	49.5	27%	0.273	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-70.7	-10.1	-179.3	50.2	-105.6	0	0	0	114.3	V32 L37 L49 W95 P113 G117	V32-W115 HydrophobicContact CG1-CZ2 3.81Å; V32-W115 PolarHBondContact O-NE1 3.45Å; L37-W115 HydrophobicContact CD1-CB 3.99Å; L37-W115 HydrophobicContact CD1-CD2 3.95Å; L37-W115 HydrophobicContact CD1-CE3 3.8Å; L37-W115 HydrophobicContact CD1-CG 4.05Å; L37-W115 HydrophobicContact CD2-CD2 4.1Å; L37-W115 HydrophobicContact CD2-CE3 4.28Å; L37-W115 HydrophobicContact CD2-CZ2 4.5Å; L37-W115 HydrophobicContact CG-CB 4.36Å; L37-W115 HydrophobicContact CG-CD2 4.16Å; L37-W115 HydrophobicContact CG-CE3 4.42Å; L37-W115 HydrophobicContact CG-CG 4.13Å; L49-W115 HydrophobicContact CD2-CZ2 4.34Å; W95-W115 HydrophobicContact CH2-CH2 4.37Å; W95-W115 HydrophobicContact CZ3-CH2 4.41Å; P113-W115 VanDerWaalsContact C-N 3.25Å; P113-W115 HydrophobicContact CB-CD2 3.89Å; P113-W115 HydrophobicContact CB-CG 4.25Å; P113-W115 HydrophobicContact CB-CH2 4.36Å; P113-W115 HydrophobicContact CB-CZ2 3.65Å; P113-W115 HydrophobicContact CG-CH2 4.1Å; P113-W115 HydrophobicContact CG-CZ2 3.58Å; P113-W115 PolarHBondContact O-N 3.22Å; W115-G117 VanDerWaalsContact C-N 3.26Å
116	V	92.5	Very high	94.6	Very high	52 Å²	52	50.8 Å²	50.8	32%	0.315	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-71.8	-25.1	169.9	177.3	0	0	0	0	111.1	W95 A112 P113 S114 D118	W95-V116 HydrophobicContact CH2-CG2 4.18Å; W95-V116 HydrophobicContact CZ2-CG2 3.95Å; A112-V116 HydrophobicContact CB-CB 4.21Å; A112-V116 HydrophobicContact CB-CG1 4.26Å; A112-V116 HydrophobicContact CB-CG2 4.41Å; P113-V116 HydrophobicContact CB-CG2 4.32Å; P113-V116 HydrophobicContact CG-CG2 4.36Å; P113-V116 WeakPolarHBondContact O-CB 3.1Å; P113-V116 PolarHBondContact O-N 2.89Å; S114-V116 PolarHBondContact O-N 2.92Å; V116-D118 VanDerWaalsContact C-N 3.32Å
117	G	92.5	Very high	94.8	Very high	60 Å²	60	52.4 Å²	52.4	62%	0.619	30%	0.3	S	S	*	.			trans	71.4	23.9	-178.3	0	0	0	0	0	114.1	S114 W115 P119	S114-G117 PolarHBondContact O-N 3.06Å; S114-G117 VanDerWaalsContact O-N 3.09Å; W115-G117 VanDerWaalsContact C-N 3.26Å; G117-P119 WeakPolarHBondContact O-CD 3.49Å
118	D	94.2	Very high	94.9	Very high	45 Å²	45	50 Å²	50	24%	0.241	28%	0.282	C	S	.	.			trans	-69.3	117.1	173.4	-175.3	-15.8	0	0	0	109.7	S110 A112 V116 N120 S121	S110-D118 WeakPolarHBondContact CB-OD2 3.22Å; S110-D118 PolarHBondContact OG-OD2 2.86Å; A112-D118 HydrophobicContact CB-CB 3.93Å; V116-D118 VanDerWaalsContact C-N 3.32Å; D118-N120 PolarHBondContact O-N 3.18Å; D118-N120 VanDerWaalsContact O-N 3.12Å; D118-N120 WeakPolarHBondContact OD1-CB 3.43Å; D118-N120 PolarHBondContact OD1-N 3.36Å; D118-N120 PolarHBondContact OD1-ND2 3.18Å; D118-N120 VanDerWaalsContact OD1-ND2 3.09Å; D118-S121 WeakPolarHBondContact O-CB 3.4Å; D118-S121 PolarHBondContact O-N 3.07Å
119	P	94.2	Very high	95	Very high	118 Å²	118	48.8 Å²	48.8	77%	0.766	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.9	-177.9	27.9	-36.4	0	0	0	113.5	G117	G117-P119 WeakPolarHBondContact O-CD 3.49Å
120	N	94.2	Very high	95	Very high	56 Å²	56	47.2 Å²	47.2	30%	0.299	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-3.5	178.5	-49.2	-63.2	0	0	0	113	P107 P108 D118	P107-N120 WeakPolarHBondContact CB-OD1 3.44Å; P108-N120 WeakPolarHBondContact O-CB 3.47Å; D118-N120 PolarHBondContact O-N 3.18Å; D118-N120 VanDerWaalsContact O-N 3.12Å; D118-N120 WeakPolarHBondContact OD1-CB 3.43Å; D118-N120 PolarHBondContact OD1-N 3.36Å; D118-N120 PolarHBondContact OD1-ND2 3.18Å; D118-N120 VanDerWaalsContact OD1-ND2 3.09Å
121	S	93.7	Very high	94.9	Very high	38 Å²	38	47.8 Å²	47.8	27%	0.266	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-74.6	130.7	175.2	-175.3	0	0	0	0	110.3	A112 D118	A112-S121 WeakPolarHBondContact O-CB 3.11Å; A112-S121 PolarHBondContact O-OG 3.44Å; D118-S121 WeakPolarHBondContact O-CB 3.4Å; D118-S121 PolarHBondContact O-N 3.07Å
122	A	93.3	Very high	94.8	Very high	55 Å²	55	48.8 Å²	48.8	46%	0.455	27%	0.274	S	S	.	.			trans	-137.9	138.5	177.2	0	0	0	0	0	109.5	R124	A122-R124 PolarHBondContact O-N 2.93Å; A122-R124 PolarHBondContact O-NE 2.89Å; A122-R124 PolarHBondContact O-NH2 3.44Å
123	W	94.8	Very high	94.6	Very high	51 Å²	51	50.2 Å²	50.2	19%	0.193	28%	0.28	C	S	.	.			trans	-58.4	136.1	179.8	-176.8	93.9	0	0	0	111.1	D125 Y370 R373 I374 Y413	W123-D125 HydrophobicContact CH2-CB 3.97Å; W123-D125 HydrophobicContact CZ2-CB 4.26Å; W123-Y370 HydrophobicContact CB-CD1 4.45Å; W123-Y370 HydrophobicContact CB-CD2 3.82Å; W123-Y370 HydrophobicContact CB-CE1 4.45Å; W123-Y370 HydrophobicContact CB-CE2 3.77Å; W123-Y370 HydrophobicContact CB-CG 4.15Å; W123-Y370 AromaticContact CD1-CD2 3.33Å; W123-Y370 AromaticContact CD1-CE2 3.85Å; W123-Y370 HydrophobicContact CD2-CD1 4.3Å; W123-Y370 AromaticContact CD2-CD2 3.67Å; W123-Y370 HydrophobicContact CD2-CD2 3.67Å; W123-Y370 AromaticContact CD2-CG 3.51Å; W123-Y370 HydrophobicContact CD2-CG 3.51Å; W123-Y370 AromaticContact CE2-CD2 3.92Å; W123-Y370 AromaticContact CE2-CG 3.91Å; W123-Y370 VanDerWaalsContact CE3-CB 3.44Å; W123-Y370 HydrophobicContact CE3-CD1 4.36Å; W123-Y370 HydrophobicContact CE3-CD2 4.5Å; W123-Y370 AromaticContact CE3-CG 3.9Å; W123-Y370 HydrophobicContact CE3-CG 3.9Å; W123-Y370 HydrophobicContact CG-CD1 4.33Å; W123-Y370 AromaticContact CG-CD2 3.29Å; W123-Y370 HydrophobicContact CG-CD2 3.29Å; W123-Y370 AromaticContact CG-CE2 3.75Å; W123-Y370 HydrophobicContact CG-CE2 3.75Å; W123-Y370 AromaticContact CG-CG 3.61Å; W123-Y370 HydrophobicContact CG-CG 3.61Å; W123-Y370 WeakPolarHBondContact CH2-O 3.38Å; W123-Y370 AromaticContact NE1-CD2 3.7Å; W123-R373 HydrophobicContact CZ3-CB 4.22Å; W123-I374 HydrophobicContact CH2-CG2 4.39Å; W123-Y413 HydrophobicContact CZ2-CD1 4.16Å; W123-Y413 HydrophobicContact CZ2-CE1 4.13Å
124	R	95	Very high	94.4	Very high	43 Å²	43	50.5 Å²	50.5	16%	0.162	28%	0.282	C	S	.	.			trans	-160.5	161.1	174	66	-160.4	76.3	-171.9	11.4	108.6	Q31 S110 A122 W127	Q31-R124 PolarHBondContact NE2-O 3.18Å; S110-R124 PolarHBondContact O-NH2 2.82Å; A122-R124 PolarHBondContact O-N 2.93Å; A122-R124 PolarHBondContact O-NE 2.89Å; A122-R124 PolarHBondContact O-NH2 3.44Å; R124-W127 HydrophobicContact CG-CB 4.21Å; R124-W127 WeakPolarHBondContact CG-O 3.05Å
125	D	96.2	Very high	94.3	Very high	40 Å²	40	51.5 Å²	51.5	21%	0.214	28%	0.278	C	S	.	.	S	Bend	trans	-110.2	-34.5	-178.8	-163	61.6	0	0	0	112.5	Q31 W123 W127 M128 I374 Y413	Q31-D125 PolarHBondContact NE2-OD1 3.34Å; W123-D125 HydrophobicContact CH2-CB 3.97Å; W123-D125 HydrophobicContact CZ2-CB 4.26Å; D125-W127 PolarHBondContact O-N 2.8Å; D125-W127 VanDerWaalsContact O-N 3.14Å; D125-M128 WeakPolarHBondContact O-CG 3.48Å; D125-I374 HydrophobicContact CB-CG2 3.81Å; D125-Y413 WeakPolarHBondContact OD1-CE1 3.3Å; D125-Y413 PolarHBondContact OD1-OH 3.49Å
126	H	96.5	Very high	94	Very high	137 Å²	137	50.4 Å²	50.4	63%	0.634	28%	0.279	S	S	*	.	S	Bend	trans	-65.8	-17.6	177.7	65.2	-96.2	0	0	0	113.9
127	W	96.6	Very high	93.8	Very high	102 Å²	102	49.6 Å²	49.6	39%	0.386	28%	0.278	S	S	.	.	S	Bend	trans	-132.5	125.6	168.4	-61.5	-36.6	0	0	0	110	W96 I109 V111 R124 D125	W96-W127 AromaticContact CH2-CD2 3.58Å; W96-W127 HydrophobicContact CH2-CD2 3.58Å; W96-W127 AromaticContact CH2-CE3 3.52Å; W96-W127 HydrophobicContact CH2-CE3 3.52Å; W96-W127 HydrophobicContact CH2-CG 4.08Å; W96-W127 HydrophobicContact CH2-CH2 4.35Å; W96-W127 HydrophobicContact CH2-CZ2 4.38Å; W96-W127 AromaticContact CH2-CZ3 3.94Å; W96-W127 HydrophobicContact CH2-CZ3 3.94Å; W96-W127 HydrophobicContact CZ2-CB 4.04Å; W96-W127 AromaticContact CZ2-CD2 3.7Å; W96-W127 HydrophobicContact CZ2-CD2 3.7Å; W96-W127 HydrophobicContact CZ2-CE3 4.08Å; W96-W127 AromaticContact CZ2-CG 3.68Å; W96-W127 HydrophobicContact CZ2-CG 3.68Å; I109-W127 HydrophobicContact CD1-CZ3 4.41Å; I109-W127 HydrophobicContact CG2-CE3 4.43Å; I109-W127 HydrophobicContact CG2-CZ3 3.98Å; V111-W127 HydrophobicContact CG1-CB 3.83Å; R124-W127 HydrophobicContact CG-CB 4.21Å; R124-W127 WeakPolarHBondContact CG-O 3.05Å; D125-W127 PolarHBondContact O-N 2.8Å; D125-W127 VanDerWaalsContact O-N 3.14Å
128	M	96.4	Very high	93.8	Very high	33 Å²	33	48.4 Å²	48.4	16%	0.163	26%	0.256	C	S	.	.			trans	-126.3	-178	-178	-66.3	170.5	60	0	0	109.5	Q31 D125 E412	Q31-M128 HydrophobicContact CB-CE 4.29Å; Q31-M128 HydrophobicContact CG-CE 3.59Å; D125-M128 WeakPolarHBondContact O-CG 3.48Å; M128-E412 WeakPolarHBondContact CE-OE2 3.36Å
129	Q	97.3	Very high	93.7	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.037	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	157.5	170.3	-60.2	85.4	43.1	0	0	109.5	D29 I30 V32 W95 V111 P113	D29-Q129 WeakPolarHBondContact CA-O 3.38Å; I30-Q129 PolarHBondContact N-O 3.3Å; I30-Q129 PolarHBondContact O-N 2.98Å; I30-Q129 VanDerWaalsContact O-O 3.1Å; V32-Q129 HydrophobicContact CB-CB 3.91Å; V32-Q129 HydrophobicContact CB-CG 4.32Å; V32-Q129 HydrophobicContact CG2-CB 3.56Å; V32-Q129 HydrophobicContact CG2-CG 4.49Å; V32-Q129 VanDerWaalsContact N-OE1 3.15Å; W95-Q129 HydrophobicContact CB-CG 3.88Å; V111-Q129 WeakPolarHBondContact O-CG 3.45Å; V111-Q129 PolarHBondContact O-NE2 3.5Å; P113-Q129 HydrophobicContact CG-CG 3.91Å
130	A	96.6	Very high	93.7	Very high	10 Å²	10	48.7 Å²	48.7	8%	0.083	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	144.1	-178.6	0	0	0	0	0	111	T27 F28 V94 Y132	T27-A130 HydrophobicContact CG2-CB 3.4Å; F28-A130 CarbonylContact O-C 3.53Å; F28-A130 WeakPolarHBondContact O-CA 3.26Å; V94-A130 HydrophobicContact CB-CB 4.5Å; V94-A130 PolarHBondContact N-O 2.81Å; V94-A130 PolarHBondContact O-N 3.12Å; A130-Y132 HydrophobicContact CB-CD2 4.21Å; A130-Y132 HydrophobicContact CB-CE2 3.56Å
131	V	95.5	Very high	93.7	Very high	13 Å²	13	49.7 Å²	49.7	8%	0.079	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.7	168	-177.6	0	0	0	0	109.6	F28 I30 V32 A91 F92 F133	F28-V131 HydrophobicContact CB-CB 4.11Å; F28-V131 VanDerWaalsContact CB-O 3.25Å; F28-V131 WeakPolarHBondContact CB-O 3.29Å; F28-V131 HydrophobicContact CD1-CB 4.08Å; F28-V131 HydrophobicContact CG-CB 4.48Å; F28-V131 PolarHBondContact N-O 3.5Å; F28-V131 PolarHBondContact O-N 3.31Å; I30-V131 HydrophobicContact CD1-CG2 3.52Å; I30-V131 HydrophobicContact CG1-CG2 3.92Å; V32-V131 HydrophobicContact CG2-CG2 4.21Å; A91-V131 HydrophobicContact CB-CG1 3.74Å; F92-V131 WeakPolarHBondContact O-CA 2.98Å; V131-F133 HydrophobicContact CG1-CE1 4.07Å; V131-F133 HydrophobicContact CG1-CE2 4.39Å; V131-F133 HydrophobicContact CG1-CZ 3.88Å
132	Y	95.2	Very high	93.8	Very high	22 Å²	22	51.8 Å²	51.8	9%	0.086	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	155.4	173.1	-66.8	-93.1	0	0	0	109.8	T27 A91 F92 V94 A130 M157 F159	T27-Y132 HydrophobicContact CG2-CE2 4.35Å; T27-Y132 PolarHBondContact OG1-OH 2.76Å; A91-Y132 CarbonylContact C-O 3.54Å; A91-Y132 VanDerWaalsContact CA-O 3.24Å; A91-Y132 WeakPolarHBondContact CA-O 3.45Å; A91-Y132 WeakPolarHBondContact CB-O 3.49Å; F92-Y132 PolarHBondContact N-O 2.77Å; F92-Y132 PolarHBondContact O-N 3.43Å; V94-Y132 HydrophobicContact CB-CD2 4.06Å; V94-Y132 HydrophobicContact CB-CE2 4.05Å; V94-Y132 HydrophobicContact CG1-CE2 4.43Å; V94-Y132 HydrophobicContact CG2-CD2 3.63Å; V94-Y132 HydrophobicContact CG2-CE2 4.07Å; A130-Y132 HydrophobicContact CB-CD2 4.21Å; A130-Y132 HydrophobicContact CB-CE2 3.56Å; Y132-M157 HydrophobicContact CE1-CB 4.28Å; Y132-M157 WeakPolarHBondContact CE1-O 3.43Å; Y132-F159 HydrophobicContact CD1-CD2 4.06Å; Y132-F159 HydrophobicContact CD1-CE2 4.44Å; Y132-F159 AromaticContact CD2-CD2 3.88Å; Y132-F159 HydrophobicContact CD2-CD2 3.88Å; Y132-F159 AromaticContact CD2-CE2 3.77Å; Y132-F159 HydrophobicContact CD2-CE2 3.77Å; Y132-F159 HydrophobicContact CE2-CD2 4.47Å; Y132-F159 HydrophobicContact CE2-CE2 4Å; Y132-F159 AromaticContact CG-CD2 3.63Å; Y132-F159 HydrophobicContact CG-CD2 3.63Å; Y132-F159 AromaticContact CG-CE2 3.99Å; Y132-F159 HydrophobicContact CG-CE2 3.99Å
133	F	92.6	Very high	93.9	Very high	31 Å²	31	54.7 Å²	54.7	14%	0.136	26%	0.258	C	S	.	.			trans	-118.3	134.2	-178.9	-57.1	-80.6	0	0	0	109.5	C3 F28 A91 V131	C3-F133 HydrophobicContact CB-CE1 3.74Å; C3-F133 HydrophobicContact CB-CZ 4.22Å; F28-F133 HydrophobicContact CD1-CE2 4.17Å; F28-F133 AromaticContact CD1-CZ 3.99Å; F28-F133 HydrophobicContact CD1-CZ 3.99Å; A91-F133 HydrophobicContact CB-CD1 3.95Å; A91-F133 HydrophobicContact CB-CE1 4.01Å; V131-F133 HydrophobicContact CG1-CE1 4.07Å; V131-F133 HydrophobicContact CG1-CE2 4.39Å; V131-F133 HydrophobicContact CG1-CZ 3.88Å
134	P	91.7	Very high	93.9	Very high	6 Å²	6	57.1 Å²	57.1	4%	0.039	27%	0.271	C	S	.	.			trans	-65.2	164.4	167.1	30.5	-33.8	0	0	0	110.1	H90 F92 T136 I161	H90-P134 WeakPolarHBondContact O-CD 3.43Å; F92-P134 HydrophobicContact CE2-CB 3.86Å; F92-P134 HydrophobicContact CE2-CG 4.26Å; F92-P134 HydrophobicContact CZ-CB 4.43Å; P134-T136 WeakPolarHBondContact CB-O 3.38Å; P134-T136 VanDerWaalsContact CG-O 3.28Å; P134-T136 WeakPolarHBondContact CG-O 2.98Å; P134-T136 PolarHBondContact O-N 3.1Å; P134-I161 HydrophobicContact CB-CD1 4.42Å; P134-I161 HydrophobicContact CB-CG1 4.22Å
135	K	89.1	Confident	93.7	Very high	89 Å²	89	57.5 Å²	57.5	39%	0.387	28%	0.28	S	S	.	.	S	Bend	trans	-57.3	-41.4	178.9	174.4	166.5	-177.1	177.3	0	112.2	S20 S22 D160 L185	S20-K135 WeakPolarHBondContact O-CE 3.28Å; S22-K135 VanDerWaalsContact OG-CG 3.29Å; S22-K135 WeakPolarHBondContact OG-CG 3.23Å; K135-D160 WeakPolarHBondContact CB-OD1 3.48Å; K135-D160 PolarHBondContact N-OD1 3.28Å; K135-L185 HydrophobicContact CB-CD2 4.11Å
136	T	85.9	Confident	93.6	Very high	50 Å²	50	56.4 Å²	56.4	31%	0.307	27%	0.274	S	S	.	.	S	Bend	trans	-134.6	154.1	174.3	46.4	0	0	0	0	109.4	P134 H138	P134-T136 WeakPolarHBondContact CB-O 3.38Å; P134-T136 VanDerWaalsContact CG-O 3.28Å; P134-T136 WeakPolarHBondContact CG-O 2.98Å; P134-T136 PolarHBondContact O-N 3.1Å; T136-H138 PolarHBondContact O-CD2 2.95Å; T136-H138 PolarHBondContact O-NE2 2.81Å; T136-H138 PolarHBondContact OG1-NE2 3.5Å; T136-H138 VanDerWaalsContact OG1-NE2 3.08Å
137	A	89	Confident	93.4	Very high	34 Å²	34	51 Å²	51	28%	0.281	25%	0.249	S	C	.	.			trans	-70.5	134.2	171.1	0	0	0	0	0	110	T88 A89	T88-A137 HydrophobicContact CG2-CB 3.69Å; A89-A137 WeakPolarHBondContact O-CA 3.29Å
138	H	90.9	Very high	93.3	Very high	35 Å²	35	46.6 Å²	46.6	16%	0.162	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.2	-178.6	-69.2	-91.3	0	0	0	111.1	T88 A89 T136 L140 I161	T88-H138 CarbonylContact C-O 3.56Å; T88-H138 WeakPolarHBondContact CA-O 3.25Å; A89-H138 PolarHBondContact N-O 3.46Å; A89-H138 PolarHBondContact O-N 3.12Å; T136-H138 PolarHBondContact O-CD2 2.95Å; T136-H138 PolarHBondContact O-NE2 2.81Å; T136-H138 PolarHBondContact OG1-NE2 3.5Å; T136-H138 VanDerWaalsContact OG1-NE2 3.08Å; H138-L140 HydrophobicContact CB-CD2 4.29Å; H138-L140 PolarHBondContact O-N 2.54Å; H138-I161 HydrophobicContact CB-CD1 4.07Å; H138-I161 HydrophobicContact CB-CG2 4.26Å
139	Y	93.8	Very high	93.2	Very high	154 Å²	154	46.4 Å²	46.4	60%	0.604	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	120	168.6	-169.4	-92.6	0	0	0	109.6	I141	Y139-I141 HydrophobicContact CD1-CG1 4.26Å; Y139-I141 HydrophobicContact CE1-CG1 4.01Å
140	L	93.7	Very high	93.1	Very high	16 Å²	16	46.2 Å²	46.2	8%	0.084	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	140.1	179.2	-57.1	-179.8	0	0	0	109.5	L52 T83 S86 G87 A89 H138 F146	L52-L140 HydrophobicContact CD1-CD1 4.19Å; T83-L140 HydrophobicContact CG2-CB 3.9Å; S86-L140 VanDerWaalsContact CA-O 3.26Å; S86-L140 WeakPolarHBondContact CA-O 3.48Å; G87-L140 PolarHBondContact N-O 2.95Å; G87-L140 PolarHBondContact O-N 3.42Å; A89-L140 HydrophobicContact CB-CD1 3.81Å; A89-L140 HydrophobicContact CB-CG 4.19Å; H138-L140 HydrophobicContact CB-CD2 4.29Å; H138-L140 PolarHBondContact O-N 2.54Å; L140-F146 HydrophobicContact CD1-CD1 3.93Å; L140-F146 HydrophobicContact CD1-CD2 4.08Å; L140-F146 HydrophobicContact CD1-CE1 3.78Å; L140-F146 HydrophobicContact CD1-CE2 3.92Å; L140-F146 HydrophobicContact CD1-CG 4.06Å; L140-F146 HydrophobicContact CD1-CZ 3.76Å; L140-F146 HydrophobicContact CD2-CB 4.03Å; L140-F146 HydrophobicContact CD2-CD1 4.41Å; L140-F146 HydrophobicContact CD2-CD2 4.35Å; L140-F146 HydrophobicContact CD2-CG 4.03Å
141	I	94.5	Very high	93.1	Very high	76 Å²	76	45.8 Å²	45.8	39%	0.39	23%	0.226	S	C	.	.			trans	-99.9	137.4	178.9	-62.9	161.6	0	0	0	109.2	T83 Y139 N143 E144	T83-I141 VanDerWaalsContact CB-O 3.3Å; T83-I141 WeakPolarHBondContact CB-O 3.33Å; Y139-I141 HydrophobicContact CD1-CG1 4.26Å; Y139-I141 HydrophobicContact CE1-CG1 4.01Å; I141-N143 PolarHBondContact O-N 2.89Å; I141-E144 HydrophobicContact CB-CB 4.4Å; I141-E144 HydrophobicContact CB-CG 3.9Å; I141-E144 HydrophobicContact CG2-CG 4.04Å; I141-E144 WeakPolarHBondContact O-CB 3.47Å; I141-E144 PolarHBondContact O-N 3.1Å
142	K	95.5	Very high	93	Very high	82 Å²	82	45.6 Å²	45.6	36%	0.357	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	133.4	176	179.3	161.3	-170.8	158	0	111.7	F84 E85 S86 E144	F84-K142 WeakPolarHBondContact O-CD 3.22Å; F84-K142 WeakPolarHBondContact O-CE 3.2Å; F84-K142 VanDerWaalsContact O-CG 3.31Å; F84-K142 WeakPolarHBondContact O-CG 3.22Å; E85-K142 VanDerWaalsContact CD-NZ 3.33Å; E85-K142 IonicContact OE1-NZ 2.73Å; E85-K142 PolarHBondContact OE1-NZ 3.25Å; E85-K142 IonicContact OE2-NZ 3.28Å; E85-K142 PolarHBondContact OE2-NZ 2.98Å; S86-K142 WeakPolarHBondContact OG-CB 3.3Å; S86-K142 PolarHBondContact OG-N 3.48Å; K142-E144 PolarHBondContact O-N 2.98Å
143	N	95.3	Very high	93	Very high	117 Å²	117	46.7 Å²	46.7	63%	0.626	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	5.2	-177.5	-52.2	-40.9	0	0	0	115.7	T83 I141	T83-N143 WeakPolarHBondContact O-CA 3.28Å; T83-N143 PolarHBondContact O-N 3.39Å; I141-N143 PolarHBondContact O-N 2.89Å
144	E	93.9	Very high	93	Very high	101 Å²	101	48.9 Å²	48.9	47%	0.472	25%	0.251	S	S	.	.			trans	-84.4	147.5	169.4	-65	-169.3	172.5	0	0	111	T83 I141 K142	T83-E144 PolarHBondContact N-O 3.07Å; T83-E144 PolarHBondContact OG1-O 2.91Å; I141-E144 HydrophobicContact CB-CB 4.4Å; I141-E144 HydrophobicContact CB-CG 3.9Å; I141-E144 HydrophobicContact CG2-CG 4.04Å; I141-E144 WeakPolarHBondContact O-CB 3.47Å; I141-E144 PolarHBondContact O-N 3.1Å; K142-E144 PolarHBondContact O-N 2.98Å
145	S	92.3	Very high	93	Very high	52 Å²	52	56.3 Å²	56.3	36%	0.364	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	139.5	176.4	-60.9	0	0	0	0	110.1	C81	C81-S145 CarbonylContact O-C 3.51Å; C81-S145 VanDerWaalsContact O-CA 3.23Å; C81-S145 WeakPolarHBondContact O-CA 3.48Å
146	F	92.5	Very high	93.3	Very high	16 Å²	16	53.6 Å²	53.6	7%	0.07	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	154.1	174.3	71.6	-77.5	0	0	0	111.1	L53 C81 T83 L140 V148 I161 F167	L53-F146 HydrophobicContact CD2-CE1 3.84Å; L53-F146 HydrophobicContact CD2-CZ 3.83Å; C81-F146 HydrophobicContact CB-CD1 3.95Å; C81-F146 HydrophobicContact CB-CD2 4.39Å; C81-F146 HydrophobicContact CB-CE1 3.48Å; C81-F146 VanDerWaalsContact CB-CE1 3.48Å; C81-F146 HydrophobicContact CB-CE2 3.98Å; C81-F146 HydrophobicContact CB-CG 4.39Å; C81-F146 HydrophobicContact CB-CZ 3.51Å; C81-F146 PolarHBondContact N-O 2.94Å; C81-F146 PolarHBondContact O-N 3.04Å; T83-F146 VanDerWaalsContact OG1-CD1 3.26Å; T83-F146 WeakPolarHBondContact OG1-CD1 3.15Å; T83-F146 WeakPolarHBondContact OG1-CE1 3.39Å; L140-F146 HydrophobicContact CD1-CD1 3.93Å; L140-F146 HydrophobicContact CD1-CD2 4.08Å; L140-F146 HydrophobicContact CD1-CE1 3.78Å; L140-F146 HydrophobicContact CD1-CE2 3.92Å; L140-F146 HydrophobicContact CD1-CG 4.06Å; L140-F146 HydrophobicContact CD1-CZ 3.76Å; L140-F146 HydrophobicContact CD2-CB 4.03Å; L140-F146 HydrophobicContact CD2-CD1 4.41Å; L140-F146 HydrophobicContact CD2-CD2 4.35Å; L140-F146 HydrophobicContact CD2-CG 4.03Å; F146-V148 HydrophobicContact CD2-CG2 3.93Å; F146-V148 HydrophobicContact CE2-CG2 3.42Å; F146-V148 VanDerWaalsContact CE2-CG2 3.42Å; F146-V148 HydrophobicContact CZ-CG2 4.34Å; F146-I161 HydrophobicContact CD2-CG2 4.21Å; F146-F167 HydrophobicContact CB-CE1 4.46Å; F146-F167 HydrophobicContact CB-CZ 4.08Å
147	M	93.3	Very high	93.7	Very high	23 Å²	23	54.3 Å²	54.3	11%	0.113	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.2	178.3	-68.9	-52.8	-68	0	0	109.6	D78 L79 E80 L162 F167	D78-M147 VanDerWaalsContact C-CE 3.49Å; D78-M147 HydrophobicContact CB-CE 3.5Å; L79-M147 VanDerWaalsContact C-CE 3.46Å; L79-M147 CarbonylContact O-C 3.59Å; L79-M147 WeakPolarHBondContact O-CA 3.43Å; E80-M147 WeakPolarHBondContact CA-SD 3.39Å; E80-M147 HydrophobicContact CB-CE 4.32Å; E80-M147 HydrophobicContact CB-SD 3.61Å; E80-M147 HydrophobicContact CG-SD 4.01Å; M147-L162 HydrophobicContact CB-CB 4.11Å; M147-L162 HydrophobicContact CB-CD1 4.11Å; M147-L162 HydrophobicContact CB-CG 4.35Å; M147-L162 PolarHBondContact O-N 3.07Å; M147-F167 HydrophobicContact CB-CE1 3.99Å; M147-F167 HydrophobicContact CB-CE2 4.47Å; M147-F167 HydrophobicContact CB-CZ 3.95Å; M147-F167 HydrophobicContact CG-CD1 3.65Å; M147-F167 HydrophobicContact CG-CE1 3.46Å; M147-F167 VanDerWaalsContact CG-CE1 3.46Å; M147-F167 HydrophobicContact CG-CE2 4.4Å; M147-F167 HydrophobicContact CG-CG 4.22Å; M147-F167 HydrophobicContact CG-CZ 3.9Å; M147-F167 HydrophobicContact SD-CD1 4.49Å; M147-F167 HydrophobicContact SD-CE1 4.4Å
148	V	94.8	Very high	94	Very high	10 Å²	10	54 Å²	54	6%	0.061	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.4	168.9	178.6	0	0	0	0	108.3	D78 L79 F92 F146 F159 D160	D78-V148 CarbonylContact C-O 3.5Å; D78-V148 WeakPolarHBondContact CA-O 3.39Å; L79-V148 HydrophobicContact CB-CB 4.49Å; L79-V148 HydrophobicContact CD1-CB 4.42Å; L79-V148 HydrophobicContact CD1-CG1 4.45Å; L79-V148 PolarHBondContact N-O 2.82Å; L79-V148 PolarHBondContact O-N 3.29Å; F92-V148 HydrophobicContact CD1-CG1 4.45Å; F92-V148 HydrophobicContact CE1-CB 4.45Å; F92-V148 HydrophobicContact CE1-CG1 3.66Å; F92-V148 HydrophobicContact CE1-CG2 3.89Å; F92-V148 HydrophobicContact CZ-CG1 3.98Å; F92-V148 HydrophobicContact CZ-CG2 4.49Å; F146-V148 HydrophobicContact CD2-CG2 3.93Å; F146-V148 HydrophobicContact CE2-CG2 3.42Å; F146-V148 VanDerWaalsContact CE2-CG2 3.42Å; F146-V148 HydrophobicContact CZ-CG2 4.34Å; V148-F159 HydrophobicContact CG1-CD1 4.18Å; V148-D160 CarbonylContact C-O 3.55Å; V148-D160 WeakPolarHBondContact CA-O 3.4Å
149	R	94.4	Very high	94.2	Very high	29 Å²	29	52.7 Å²	52.7	11%	0.109	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	122.7	170.1	176.6	158.4	-67.8	171.2	4.1	109.4	D78 L151 F159 D160 L162 E181	D78-R149 WeakPolarHBondContact OD1-CA 3.34Å; D78-R149 WeakPolarHBondContact OD1-CB 3.34Å; D78-R149 WeakPolarHBondContact OD1-CG 3.39Å; D78-R149 IonicContact OD1-CZ 2.68Å; D78-R149 IonicContact OD1-NE 2.76Å; D78-R149 PolarHBondContact OD1-NE 2.75Å; D78-R149 IonicContact OD1-NH2 2.67Å; D78-R149 IonicContact OD2-CZ 3.63Å; D78-R149 IonicContact OD2-NE 3.44Å; D78-R149 IonicContact OD2-NH2 3.1Å; D78-R149 PolarHBondContact OD2-NH2 3.37Å; R149-L151 HydrophobicContact CG-CD1 4.18Å; R149-L151 HydrophobicContact CG-CD2 4.49Å; R149-L151 HydrophobicContact CG-CG 4.02Å; R149-F159 CarbonylContact O-C 3.49Å; R149-F159 VanDerWaalsContact O-CA 3.29Å; R149-F159 WeakPolarHBondContact O-CA 3.39Å; R149-D160 PolarHBondContact N-O 3.31Å; R149-D160 PolarHBondContact O-N 3Å; R149-L162 HydrophobicContact CB-CD1 4.37Å; R149-L162 HydrophobicContact CB-CD2 4.03Å; R149-L162 HydrophobicContact CB-CG 4.14Å; R149-E181 IonicContact NH1-OE2 3.29Å; R149-E181 PolarHBondContact NH1-OE2 3.43Å; R149-E181 VanDerWaalsContact NH1-OE2 3.08Å
150	Y	95.4	Very high	94.2	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.7	169.6	167.7	-104.9	0	0	0	109.8	V59 K60 A76 L77 H152 M157 F159	V59-Y150 HydrophobicContact CG1-CD1 3.81Å; V59-Y150 HydrophobicContact CG1-CD2 3.61Å; V59-Y150 HydrophobicContact CG1-CE1 4.24Å; V59-Y150 HydrophobicContact CG1-CE2 4.08Å; V59-Y150 HydrophobicContact CG1-CG 3.42Å; V59-Y150 VanDerWaalsContact CG1-CG 3.42Å; K60-Y150 HydrophobicContact CB-CE1 3.88Å; K60-Y150 HydrophobicContact CG-CE1 4.19Å; A76-Y150 WeakPolarHBondContact CA-O 3.36Å; L77-Y150 HydrophobicContact CD1-CD1 4.4Å; L77-Y150 HydrophobicContact CD2-CD1 3.53Å; L77-Y150 HydrophobicContact CD2-CE1 4.09Å; L77-Y150 HydrophobicContact CG-CD1 3.74Å; L77-Y150 HydrophobicContact CG-CG 4.38Å; L77-Y150 PolarHBondContact N-O 2.82Å; L77-Y150 PolarHBondContact O-N 3.17Å; Y150-H152 HydrophobicContact CE1-CB 4.36Å; Y150-H152 AromaticContact CE1-CD2 3.47Å; Y150-H152 VanDerWaalsContact CE1-CD2 3.47Å; Y150-H152 WeakPolarHBondContact CE1-CD2 3.46Å; Y150-H152 HydrophobicContact CE2-CB 4.45Å; Y150-H152 AromaticContact CZ-CD2 3.78Å; Y150-M157 HydrophobicContact CE2-CB 3.99Å; Y150-M157 HydrophobicContact CE2-CG 3.99Å; Y150-M157 HydrophobicContact CE2-SD 3.94Å; Y150-F159 HydrophobicContact CD2-CD1 4.11Å; Y150-F159 AromaticContact CD2-CE1 3.49Å; Y150-F159 HydrophobicContact CD2-CE1 3.49Å; Y150-F159 VanDerWaalsContact CD2-CE1 3.49Å; Y150-F159 HydrophobicContact CD2-CE2 4.06Å; Y150-F159 AromaticContact CD2-CZ 3.46Å; Y150-F159 HydrophobicContact CD2-CZ 3.46Å; Y150-F159 VanDerWaalsContact CD2-CZ 3.46Å; Y150-F159 HydrophobicContact CE2-CE1 4.24Å; Y150-F159 HydrophobicContact CE2-CE2 4.25Å; Y150-F159 AromaticContact CE2-CZ 3.76Å; Y150-F159 HydrophobicContact CE2-CZ 3.76Å; Y150-F159 HydrophobicContact CG-CE1 4.29Å
151	L	95.2	Very high	94.1	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.3	178	-63.8	152.6	0	0	0	108.2	A76 R149 M157 R158 L176 V178 E181 M182 L185	A76-L151 HydrophobicContact CB-CD2 3.67Å; R149-L151 HydrophobicContact CG-CD1 4.18Å; R149-L151 HydrophobicContact CG-CD2 4.49Å; R149-L151 HydrophobicContact CG-CG 4.02Å; L151-M157 CarbonylContact O-C 3.54Å; L151-M157 WeakPolarHBondContact O-CA 3.22Å; L151-R158 HydrophobicContact CB-CB 4.28Å; L151-R158 PolarHBondContact N-O 2.77Å; L151-R158 PolarHBondContact O-N 2.76Å; L151-L176 HydrophobicContact CD2-CD2 3.7Å; L151-V178 HydrophobicContact CD2-CG1 4.23Å; L151-E181 HydrophobicContact CD1-CB 4.02Å; L151-E181 HydrophobicContact CD2-CB 4.02Å; L151-M182 HydrophobicContact CB-CG 3.96Å; L151-M182 HydrophobicContact CD1-CG 4.45Å; L151-L185 HydrophobicContact CD1-CD1 3.66Å
152	H	94.9	Very high	93.8	Very high	10 Å²	10	43.4 Å²	43.4	5%	0.046	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	149	164.4	78	95.1	0	0	0	112.3	F62 K72 N74 D75 Y150 S156 M157	F62-H152 AromaticContact CE1-CE1 3.66Å; F62-H152 AromaticContact CE1-NE2 3.73Å; F62-H152 AromaticContact CZ-CE1 3.97Å; F62-H152 AromaticContact CZ-NE2 3.89Å; K72-H152 PolarHBondContact O-CE1 2.98Å; N74-H152 WeakPolarHBondContact CA-O 3.48Å; D75-H152 WeakPolarHBondContact CB-NE2 3.46Å; D75-H152 PolarHBondContact N-O 2.89Å; D75-H152 VanDerWaalsContact N-O 3.07Å; D75-H152 PolarHBondContact O-N 2.83Å; Y150-H152 HydrophobicContact CE1-CB 4.36Å; Y150-H152 AromaticContact CE1-CD2 3.47Å; Y150-H152 VanDerWaalsContact CE1-CD2 3.47Å; Y150-H152 WeakPolarHBondContact CE1-CD2 3.46Å; Y150-H152 HydrophobicContact CE2-CB 4.45Å; Y150-H152 AromaticContact CZ-CD2 3.78Å; H152-S156 CarbonylContact C-O 3.46Å; H152-S156 WeakPolarHBondContact CA-O 3.32Å; H152-S156 VanDerWaalsContact CB-O 3.3Å; H152-S156 WeakPolarHBondContact CB-O 3.41Å; H152-M157 HydrophobicContact CB-CG 4.08Å
153	D	93.8	Very high	92.6	Very high	44 Å²	44	42.4 Å²	42.4	24%	0.235	23%	0.232	C	C	.	.			trans	-105.3	-160.5	163.4	67	27.9	0	0	0	109.6	L73 N74 L155 S156 M182	L73-D153 CarbonylContact O-C 3.59Å; L73-D153 WeakPolarHBondContact O-CA 3.18Å; N74-D153 WeakPolarHBondContact OD1-CB 3.31Å; D153-L155 PolarHBondContact O-N 2.7Å; D153-L155 PolarHBondContact OD1-N 2.87Å; D153-S156 PolarHBondContact N-O 2.94Å; D153-S156 WeakPolarHBondContact OD1-CB 3.42Å; D153-S156 PolarHBondContact OD1-N 3.16Å; D153-M182 HydrophobicContact CB-CE 4.07Å; D153-M182 HydrophobicContact CB-SD 3.85Å; D153-M182 VanDerWaalsContact OD2-CE 3.25Å; D153-M182 WeakPolarHBondContact OD2-CE 3.49Å
154	S	92.9	Very high	91	Very high	78 Å²	78	41.8 Å²	41.8	55%	0.545	23%	0.233	S	C	.	.	S	Bend	trans	-68	-18.1	-178.5	52.2	0	0	0	0	114.2	L73	L73-S154 PolarHBondContact O-N 3.32Å
155	L	93	Very high	89.1	Confident	162 Å²	162	42 Å²	42	85%	0.848	24%	0.243	S	C	*	.	S	Bend	trans	-136.3	-15.3	-170.2	-61.8	175.6	0	0	0	114.2	D153	D153-L155 PolarHBondContact O-N 2.7Å; D153-L155 PolarHBondContact OD1-N 2.87Å
156	S	94.8	Very high	87.4	Confident	31 Å²	31	43.9 Å²	43.9	22%	0.217	25%	0.249	C	C	.	.			trans	-133.7	145	-169.5	-91.8	0	0	0	0	112.2	H152 D153 R158	H152-S156 CarbonylContact C-O 3.46Å; H152-S156 WeakPolarHBondContact CA-O 3.32Å; H152-S156 VanDerWaalsContact CB-O 3.3Å; H152-S156 WeakPolarHBondContact CB-O 3.41Å; D153-S156 PolarHBondContact N-O 2.94Å; D153-S156 WeakPolarHBondContact OD1-CB 3.42Å; D153-S156 PolarHBondContact OD1-N 3.16Å; S156-R158 PolarHBondContact OG-NH1 2.85Å; S156-R158 PolarHBondContact OG-NH2 2.87Å
157	M	94.6	Very high	85.6	Confident	65 Å²	65	45.4 Å²	45.4	32%	0.32	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	148.4	170.5	-59	-176.4	-170.9	0	0	110.4	Y132 Y150 L151 H152 F159	Y132-M157 HydrophobicContact CE1-CB 4.28Å; Y132-M157 WeakPolarHBondContact CE1-O 3.43Å; Y150-M157 HydrophobicContact CE2-CB 3.99Å; Y150-M157 HydrophobicContact CE2-CG 3.99Å; Y150-M157 HydrophobicContact CE2-SD 3.94Å; L151-M157 CarbonylContact O-C 3.54Å; L151-M157 WeakPolarHBondContact O-CA 3.22Å; H152-M157 HydrophobicContact CB-CG 4.08Å; M157-F159 HydrophobicContact CB-CE2 4.25Å
158	R	94.7	Very high	83.6	Confident	28 Å²	28	51.7 Å²	51.7	11%	0.106	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	153.6	172.3	-56.5	-69.3	178.9	-88	-12.4	110.2	P25 L151 S156 M182 L185	P25-R158 VanDerWaalsContact O-CZ 3.25Å; P25-R158 PolarHBondContact O-NH2 2.85Å; L151-R158 HydrophobicContact CB-CB 4.28Å; L151-R158 PolarHBondContact N-O 2.77Å; L151-R158 PolarHBondContact O-N 2.76Å; S156-R158 PolarHBondContact OG-NH1 2.85Å; S156-R158 PolarHBondContact OG-NH2 2.87Å; R158-M182 HydrophobicContact CG-CE 4.1Å; R158-M182 HydrophobicContact CG-CG 4.27Å; R158-L185 HydrophobicContact CB-CD1 3.73Å; R158-L185 HydrophobicContact CG-CD1 4.4Å
159	F	94.3	Very high	81.6	Confident	8 Å²	8	54.4 Å²	54.4	4%	0.035	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	140.2	179.6	-64.8	-96.1	0	0	0	109.3	V59 F92 V94 Y132 V148 R149 Y150 M157	V59-F159 HydrophobicContact CG1-CE1 3.91Å; V59-F159 HydrophobicContact CG1-CZ 4.41Å; V59-F159 HydrophobicContact CG2-CE1 4.06Å; F92-F159 HydrophobicContact CD1-CB 4.47Å; F92-F159 HydrophobicContact CD2-CB 3.39Å; F92-F159 HydrophobicContact CD2-CG 4.17Å; F92-F159 HydrophobicContact CE2-CB 3.44Å; F92-F159 VanDerWaalsContact CE2-CB 3.44Å; F92-F159 HydrophobicContact CG-CB 3.92Å; F92-F159 HydrophobicContact CG-CD1 4.49Å; F92-F159 HydrophobicContact CG-CG 4.25Å; F92-F159 HydrophobicContact CZ-CB 4.02Å; V94-F159 HydrophobicContact CG1-CE2 4.46Å; V94-F159 HydrophobicContact CG1-CZ 4.16Å; V94-F159 HydrophobicContact CG2-CD2 4.38Å; V94-F159 HydrophobicContact CG2-CE1 4.37Å; V94-F159 HydrophobicContact CG2-CE2 3.73Å; V94-F159 HydrophobicContact CG2-CZ 3.71Å; Y132-F159 HydrophobicContact CD1-CD2 4.06Å; Y132-F159 HydrophobicContact CD1-CE2 4.44Å; Y132-F159 AromaticContact CD2-CD2 3.88Å; Y132-F159 HydrophobicContact CD2-CD2 3.88Å; Y132-F159 AromaticContact CD2-CE2 3.77Å; Y132-F159 HydrophobicContact CD2-CE2 3.77Å; Y132-F159 HydrophobicContact CE2-CD2 4.47Å; Y132-F159 HydrophobicContact CE2-CE2 4Å; Y132-F159 AromaticContact CG-CD2 3.63Å; Y132-F159 HydrophobicContact CG-CD2 3.63Å; Y132-F159 AromaticContact CG-CE2 3.99Å; Y132-F159 HydrophobicContact CG-CE2 3.99Å; V148-F159 HydrophobicContact CG1-CD1 4.18Å; R149-F159 CarbonylContact O-C 3.49Å; R149-F159 VanDerWaalsContact O-CA 3.29Å; R149-F159 WeakPolarHBondContact O-CA 3.39Å; Y150-F159 HydrophobicContact CD2-CD1 4.11Å; Y150-F159 AromaticContact CD2-CE1 3.49Å; Y150-F159 HydrophobicContact CD2-CE1 3.49Å; Y150-F159 VanDerWaalsContact CD2-CE1 3.49Å; Y150-F159 HydrophobicContact CD2-CE2 4.06Å; Y150-F159 AromaticContact CD2-CZ 3.46Å; Y150-F159 HydrophobicContact CD2-CZ 3.46Å; Y150-F159 VanDerWaalsContact CD2-CZ 3.46Å; Y150-F159 HydrophobicContact CE2-CE1 4.24Å; Y150-F159 HydrophobicContact CE2-CE2 4.25Å; Y150-F159 AromaticContact CE2-CZ 3.76Å; Y150-F159 HydrophobicContact CE2-CZ 3.76Å; Y150-F159 HydrophobicContact CG-CE1 4.29Å; M157-F159 HydrophobicContact CB-CE2 4.25Å
160	D	93.7	Very high	79.8	Confident	27 Å²	27	62.8 Å²	62.8	14%	0.144	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	163.5	171.4	-158.7	18	0	0	0	111.3	K135 V148 R149 L185	K135-D160 WeakPolarHBondContact CB-OD1 3.48Å; K135-D160 PolarHBondContact N-OD1 3.28Å; V148-D160 CarbonylContact C-O 3.55Å; V148-D160 WeakPolarHBondContact CA-O 3.4Å; R149-D160 PolarHBondContact N-O 3.31Å; R149-D160 PolarHBondContact O-N 3Å; D160-L185 HydrophobicContact CB-CD1 4.3Å; D160-L185 HydrophobicContact CB-CD2 4.18Å
161	I	92.6	Very high	78.1	Confident	8 Å²	8	64.8 Å²	64.8	4%	0.041	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.9	175.2	-59.6	177.8	0	0	0	108.4	A89 F92 P134 H138 F146	A89-I161 HydrophobicContact CB-CD1 3.53Å; F92-I161 HydrophobicContact CE1-CG1 4.37Å; F92-I161 HydrophobicContact CE2-CG1 4.49Å; F92-I161 HydrophobicContact CZ-CD1 4.19Å; F92-I161 HydrophobicContact CZ-CG1 3.64Å; P134-I161 HydrophobicContact CB-CD1 4.42Å; P134-I161 HydrophobicContact CB-CG1 4.22Å; H138-I161 HydrophobicContact CB-CD1 4.07Å; H138-I161 HydrophobicContact CB-CG2 4.26Å; F146-I161 HydrophobicContact CD2-CG2 4.21Å
162	L	87.7	Confident	76.8	Confident	15 Å²	15	69.9 Å²	69.9	8%	0.079	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	142	178	-53.6	178	0	0	0	110.1	M147 R149 N166 F167	M147-L162 HydrophobicContact CB-CB 4.11Å; M147-L162 HydrophobicContact CB-CD1 4.11Å; M147-L162 HydrophobicContact CB-CG 4.35Å; M147-L162 PolarHBondContact O-N 3.07Å; R149-L162 HydrophobicContact CB-CD1 4.37Å; R149-L162 HydrophobicContact CB-CD2 4.03Å; R149-L162 HydrophobicContact CB-CG 4.14Å; L162-N166 HydrophobicContact CB-CB 4.44Å; L162-F167 VanDerWaalsContact O-CE2 3.25Å; L162-F167 WeakPolarHBondContact O-CE2 3.22Å
163	S	70.5	Confident	76	Confident	61 Å²	61	71.2 Å²	71.2	43%	0.427	40%	0.4	S	S	.	.			trans	-76.1	149.2	178.2	-66.1	0	0	0	0	112.4	P165 N166 F167	S163-P165 VanDerWaalsContact C-N 3.32Å; S163-P165 WeakPolarHBondContact O-CD 3.48Å; S163-P165 VanDerWaalsContact O-N 3.07Å; S163-N166 WeakPolarHBondContact O-CB 3.5Å; S163-N166 PolarHBondContact O-N 3.31Å; S163-F167 VanDerWaalsContact C-CE2 3.45Å; S163-F167 WeakPolarHBondContact O-CD2 3.47Å; S163-F167 WeakPolarHBondContact O-CE2 3.36Å
164	V	61.9	Low	75.1	Confident	104 Å²	104	73.7 Å²	73.7	63%	0.63	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-43.5	-38.8	-177.1	-174.4	0	0	0	0	115.9	N166 F167	V164-N166 PolarHBondContact O-N 2.93Å; V164-N166 VanDerWaalsContact O-N 3.15Å; V164-F167 VanDerWaalsContact CA-CE2 3.42Å; V164-F167 HydrophobicContact CB-CD2 4.38Å; V164-F167 HydrophobicContact CB-CE2 4.46Å; V164-F167 HydrophobicContact CG2-CE2 4.38Å; V164-F167 WeakPolarHBondContact O-CB 3.47Å; V164-F167 VanDerWaalsContact O-CD2 3.24Å; V164-F167 WeakPolarHBondContact O-CD2 3.44Å; V164-F167 PolarHBondContact O-N 3.4Å; V164-F167 VanDerWaalsContact O-N 3.11Å
165	P	53.7	Low	74.4	Confident	105 Å²	105	74.9 Å²	74.9	68%	0.682	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-61.8	-23.2	176.7	1.5	-3.2	0	0	0	114.5	S163 F167	S163-P165 VanDerWaalsContact C-N 3.32Å; S163-P165 WeakPolarHBondContact O-CD 3.48Å; S163-P165 VanDerWaalsContact O-N 3.07Å; P165-F167 VanDerWaalsContact C-N 3.3Å; P165-F167 PolarHBondContact O-N 3.05Å
166	N	55.5	Low	74.1	Confident	92 Å²	92	69 Å²	69	49%	0.492	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-82.3	-3.2	178.4	-68.3	-10.4	0	0	0	113.6	L162 S163 V164	L162-N166 HydrophobicContact CB-CB 4.44Å; S163-N166 WeakPolarHBondContact O-CB 3.5Å; S163-N166 PolarHBondContact O-N 3.31Å; V164-N166 PolarHBondContact O-N 2.93Å; V164-N166 VanDerWaalsContact O-N 3.15Å
167	F	54.8	Low	73.9	Confident	49 Å²	49	72.1 Å²	72.1	22%	0.215	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-80.8	-27	-175.8	-76.3	-112.6	0	0	0	113.5	F146 M147 L162 S163 V164 P165 A169	F146-F167 HydrophobicContact CB-CE1 4.46Å; F146-F167 HydrophobicContact CB-CZ 4.08Å; M147-F167 HydrophobicContact CB-CE1 3.99Å; M147-F167 HydrophobicContact CB-CE2 4.47Å; M147-F167 HydrophobicContact CB-CZ 3.95Å; M147-F167 HydrophobicContact CG-CD1 3.65Å; M147-F167 HydrophobicContact CG-CE1 3.46Å; M147-F167 VanDerWaalsContact CG-CE1 3.46Å; M147-F167 HydrophobicContact CG-CE2 4.4Å; M147-F167 HydrophobicContact CG-CG 4.22Å; M147-F167 HydrophobicContact CG-CZ 3.9Å; M147-F167 HydrophobicContact SD-CD1 4.49Å; M147-F167 HydrophobicContact SD-CE1 4.4Å; L162-F167 VanDerWaalsContact O-CE2 3.25Å; L162-F167 WeakPolarHBondContact O-CE2 3.22Å; S163-F167 VanDerWaalsContact C-CE2 3.45Å; S163-F167 WeakPolarHBondContact O-CD2 3.47Å; S163-F167 WeakPolarHBondContact O-CE2 3.36Å; V164-F167 VanDerWaalsContact CA-CE2 3.42Å; V164-F167 HydrophobicContact CB-CD2 4.38Å; V164-F167 HydrophobicContact CB-CE2 4.46Å; V164-F167 HydrophobicContact CG2-CE2 4.38Å; V164-F167 WeakPolarHBondContact O-CB 3.47Å; V164-F167 VanDerWaalsContact O-CD2 3.24Å; V164-F167 WeakPolarHBondContact O-CD2 3.44Å; V164-F167 PolarHBondContact O-N 3.4Å; V164-F167 VanDerWaalsContact O-N 3.11Å; P165-F167 VanDerWaalsContact C-N 3.3Å; P165-F167 PolarHBondContact O-N 3.05Å; F167-A169 PolarHBondContact O-N 3.07Å
168	N	51.9	Low	73.7	Confident	154 Å²	154	69.8 Å²	69.8	82%	0.824	40%	0.402	S	S	*	.	S	Bend	trans	-76.1	-6.8	-169	-68	-27.3	0	0	0	113.4
169	A	53.7	Low	73.4	Confident	67 Å²	67	77.2 Å²	77.2	55%	0.554	43%	0.43	S	S	*	.	S	Bend	trans	-123.8	127.4	166.3	0	0	0	0	0	107.8	F167 P171	F167-A169 PolarHBondContact O-N 3.07Å; A169-P171 WeakPolarHBondContact O-CD 3.46Å
170	K	56.6	Low	73.3	Confident	205 Å²	205	81 Å²	81	89%	0.891	45%	0.45	S	S	*	.			trans	-54.6	110.7	165	-85	-176.2	176.7	179.6	0	106.7	D172	K170-D172 PolarHBondContact O-N 2.97Å; K170-D172 VanDerWaalsContact O-N 3.12Å
171	P	58.3	Low	73.2	Confident	47 Å²	47	82.3 Å²	82.3	31%	0.305	46%	0.456	S	S	.	.			trans	-65.8	121.4	-179.2	-17.7	33.3	0	0	0	106.7	D78 A169 T173	D78-P171 VanDerWaalsContact OD2-CB 3.29Å; D78-P171 WeakPolarHBondContact OD2-CB 3.38Å; D78-P171 VanDerWaalsContact OD2-CG 3.25Å; D78-P171 WeakPolarHBondContact OD2-CG 3.48Å; A169-P171 WeakPolarHBondContact O-CD 3.46Å; P171-T173 PolarHBondContact O-N 3.26Å
172	D	68.1	Low	73.1	Confident	108 Å²	108	82.5 Å²	82.5	58%	0.578	46%	0.457	S	S	*	.			trans	-72.2	98.2	170.6	-175	0.2	0	0	0	107.5	K170 S174 S175	K170-D172 PolarHBondContact O-N 2.97Å; K170-D172 VanDerWaalsContact O-N 3.12Å; D172-S174 PolarHBondContact O-N 2.95Å; D172-S174 WeakPolarHBondContact OD1-CB 3.45Å; D172-S174 PolarHBondContact OD1-N 2.89Å; D172-S174 PolarHBondContact OD1-OG 2.85Å; D172-S174 PolarHBondContact OD2-OG 2.77Å; D172-S174 VanDerWaalsContact OD2-OG 3.12Å; D172-S175 PolarHBondContact O-OG 2.88Å
173	T	78.9	Confident	73.2	Confident	37 Å²	37	85.5 Å²	85.5	23%	0.227	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-70.4	-9.5	178.9	61.5	0	0	0	0	112.4	A76 D78 P171 S175 L176	A76-T173 WeakPolarHBondContact O-CB 3.24Å; A76-T173 PolarHBondContact O-OG1 3.08Å; D78-T173 HydrophobicContact CB-CG2 4.48Å; P171-T173 PolarHBondContact O-N 3.26Å; T173-S175 VanDerWaalsContact C-N 3.28Å; T173-S175 PolarHBondContact O-N 2.87Å; T173-L176 VanDerWaalsContact O-CB 3.26Å; T173-L176 WeakPolarHBondContact O-CB 3.16Å; T173-L176 PolarHBondContact O-N 2.9Å
174	S	74.9	Confident	74	Confident	97 Å²	97	86 Å²	86	68%	0.678	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-68.9	-24.7	-177.7	74.8	0	0	0	0	113.8	D172	D172-S174 PolarHBondContact O-N 2.95Å; D172-S174 WeakPolarHBondContact OD1-CB 3.45Å; D172-S174 PolarHBondContact OD1-N 2.89Å; D172-S174 PolarHBondContact OD1-OG 2.85Å; D172-S174 PolarHBondContact OD2-OG 2.77Å; D172-S174 VanDerWaalsContact OD2-OG 3.12Å
175	S	78.7	Confident	75.3	Confident	103 Å²	103	81.8 Å²	81.8	72%	0.72	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-95.2	1.4	176.3	65.1	0	0	0	0	113.8	D172 T173	D172-S175 PolarHBondContact O-OG 2.88Å; T173-S175 VanDerWaalsContact C-N 3.28Å; T173-S175 PolarHBondContact O-N 2.87Å
176	L	85.9	Confident	77	Confident	39 Å²	39	78.5 Å²	78.5	20%	0.204	44%	0.435	C	S	.	.			trans	-73.8	127.6	-174.9	-161.1	83.1	0	0	0	110.4	A76 L151 T173 V178 E181	A76-L176 HydrophobicContact CB-CD2 3.56Å; L151-L176 HydrophobicContact CD2-CD2 3.7Å; T173-L176 VanDerWaalsContact O-CB 3.26Å; T173-L176 WeakPolarHBondContact O-CB 3.16Å; T173-L176 PolarHBondContact O-N 2.9Å; L176-V178 VanDerWaalsContact C-N 3.35Å; L176-V178 PolarHBondContact O-N 3.02Å; L176-E181 HydrophobicContact CD1-CG 3.86Å; L176-E181 HydrophobicContact CD2-CB 4.42Å; L176-E181 HydrophobicContact CD2-CG 3.75Å; L176-E181 HydrophobicContact CG-CG 3.66Å
177	D	90.4	Very high	78.7	Confident	96 Å²	96	74.2 Å²	74.2	51%	0.513	41%	0.412	S	S	.	.			trans	-76.1	91.3	167	-174.5	-9.4	0	0	0	109.2	R179 N180 E181	D177-R179 PolarHBondContact O-N 3.41Å; D177-R179 VanDerWaalsContact O-N 3.17Å; D177-R179 PolarHBondContact OD1-N 2.69Å; D177-R179 VanDerWaalsContact OD1-N 3.13Å; D177-N180 HydrophobicContact CB-CB 3.93Å; D177-N180 PolarHBondContact O-N 2.85Å; D177-N180 VanDerWaalsContact O-N 3.08Å; D177-N180 PolarHBondContact OD1-N 3.26Å; D177-E181 PolarHBondContact O-N 3.21Å
178	V	90.6	Very high	80.4	Confident	15 Å²	15	75.3 Å²	75.3	9%	0.091	43%	0.426	C	S	.	.	H	α-helix	trans	-51.9	-38.7	-179	-178.9	0	0	0	0	111.7	N74 A76 L151 L176 E181 M182	N74-V178 HydrophobicContact CB-CB 4.37Å; N74-V178 HydrophobicContact CB-CG1 4.42Å; A76-V178 HydrophobicContact CB-CG2 4.15Å; L151-V178 HydrophobicContact CD2-CG1 4.23Å; L176-V178 VanDerWaalsContact C-N 3.35Å; L176-V178 PolarHBondContact O-N 3.02Å; V178-E181 PolarHBondContact O-N 2.91Å; V178-M182 HydrophobicContact CG1-CG 4.25Å; V178-M182 HydrophobicContact CG1-SD 3.85Å; V178-M182 WeakPolarHBondContact O-CB 3.26Å; V178-M182 VanDerWaalsContact O-CG 3.24Å; V178-M182 WeakPolarHBondContact O-CG 3.5Å; V178-M182 PolarHBondContact O-N 3.46Å
179	R	88.9	Confident	82.1	Confident	184 Å²	184	68.1 Å²	68.1	69%	0.694	39%	0.387	S	S	*	.	H	α-helix	trans	-68.3	-42.8	-178.7	-74	-173.2	-77.9	-150.3	-5.1	111.4	D177 S183	D177-R179 PolarHBondContact O-N 3.41Å; D177-R179 VanDerWaalsContact O-N 3.17Å; D177-R179 PolarHBondContact OD1-N 2.69Å; D177-R179 VanDerWaalsContact OD1-N 3.13Å; R179-S183 WeakPolarHBondContact O-CB 3.46Å; R179-S183 PolarHBondContact O-N 3.41Å
180	N	91.4	Very high	83.8	Confident	88 Å²	88	67.1 Å²	67.1	47%	0.471	37%	0.373	S	S	.	.	H	α-helix	trans	-63.8	-45.5	176.4	-173.7	61.7	0	0	0	111.4	D177 M182 S183 C184	D177-N180 HydrophobicContact CB-CB 3.93Å; D177-N180 PolarHBondContact O-N 2.85Å; D177-N180 VanDerWaalsContact O-N 3.08Å; D177-N180 PolarHBondContact OD1-N 3.26Å; N180-M182 PolarHBondContact O-N 3.37Å; N180-S183 WeakPolarHBondContact O-CB 3.49Å; N180-S183 PolarHBondContact O-N 3.03Å; N180-S183 VanDerWaalsContact O-N 3.16Å; N180-C184 PolarHBondContact O-N 3.33Å; N180-C184 PolarHBondContact O-SG 3.29Å; N180-C184 VanDerWaalsContact O-SG 3.37Å
181	E	91.2	Very high	85.5	Confident	55 Å²	55	57.4 Å²	57.4	26%	0.257	33%	0.33	S	S	.	.	H	α-helix	trans	-63.6	-42.6	178.2	-66.9	-79.3	125.4	0	0	112.4	R149 L151 L176 D177 V178 S183 C184 L185	R149-E181 IonicContact NH1-OE2 3.29Å; R149-E181 PolarHBondContact NH1-OE2 3.43Å; R149-E181 VanDerWaalsContact NH1-OE2 3.08Å; L151-E181 HydrophobicContact CD1-CB 4.02Å; L151-E181 HydrophobicContact CD2-CB 4.02Å; L176-E181 HydrophobicContact CD1-CG 3.86Å; L176-E181 HydrophobicContact CD2-CB 4.42Å; L176-E181 HydrophobicContact CD2-CG 3.75Å; L176-E181 HydrophobicContact CG-CG 3.66Å; D177-E181 PolarHBondContact O-N 3.21Å; V178-E181 PolarHBondContact O-N 2.91Å; E181-S183 VanDerWaalsContact C-N 3.28Å; E181-S183 PolarHBondContact O-N 3.24Å; E181-C184 WeakPolarHBondContact O-CB 3.5Å; E181-C184 PolarHBondContact O-N 2.69Å; E181-C184 VanDerWaalsContact O-N 3.15Å; E181-L185 PolarHBondContact O-N 3.02Å
182	M	91	Very high	87	Confident	12 Å²	12	55.5 Å²	55.5	6%	0.059	32%	0.318	C	S	.	.	H	α-helix	trans	-62.7	-36.4	174.2	-73.4	-178.7	72.2	0	0	111.8	L151 D153 R158 V178 N180 C184 L185 S186	L151-M182 HydrophobicContact CB-CG 3.96Å; L151-M182 HydrophobicContact CD1-CG 4.45Å; D153-M182 HydrophobicContact CB-CE 4.07Å; D153-M182 HydrophobicContact CB-SD 3.85Å; D153-M182 VanDerWaalsContact OD2-CE 3.25Å; D153-M182 WeakPolarHBondContact OD2-CE 3.49Å; R158-M182 HydrophobicContact CG-CE 4.1Å; R158-M182 HydrophobicContact CG-CG 4.27Å; V178-M182 HydrophobicContact CG1-CG 4.25Å; V178-M182 HydrophobicContact CG1-SD 3.85Å; V178-M182 WeakPolarHBondContact O-CB 3.26Å; V178-M182 VanDerWaalsContact O-CG 3.24Å; V178-M182 WeakPolarHBondContact O-CG 3.5Å; V178-M182 PolarHBondContact O-N 3.46Å; N180-M182 PolarHBondContact O-N 3.37Å; M182-C184 VanDerWaalsContact C-N 3.33Å; M182-L185 PolarHBondContact O-N 3.21Å; M182-S186 PolarHBondContact O-OG 3.34Å
183	S	90.1	Very high	88.1	Confident	78 Å²	78	57.4 Å²	57.4	55%	0.545	32%	0.317	S	S	.	.	H	α-helix	trans	-64.6	-36.5	173.8	-170.9	0	0	0	0	112	R179 N180 E181 L185 S186	R179-S183 WeakPolarHBondContact O-CB 3.46Å; R179-S183 PolarHBondContact O-N 3.41Å; N180-S183 WeakPolarHBondContact O-CB 3.49Å; N180-S183 PolarHBondContact O-N 3.03Å; N180-S183 VanDerWaalsContact O-N 3.16Å; E181-S183 VanDerWaalsContact C-N 3.28Å; E181-S183 PolarHBondContact O-N 3.24Å; S183-L185 PolarHBondContact O-N 3.1Å; S183-S186 VanDerWaalsContact O-CB 3.29Å; S183-S186 WeakPolarHBondContact O-CB 3.44Å; S183-S186 PolarHBondContact O-N 3.34Å; S183-S186 PolarHBondContact O-OG 3.44Å
184	C	88.1	Confident	88.7	Confident	71 Å²	71	57 Å²	57	48%	0.48	31%	0.314	S	S	.	.	H	α-helix	trans	-66.8	-17.7	175	-67.7	0	0	0	0	113.8	N180 E181 M182	N180-C184 PolarHBondContact O-N 3.33Å; N180-C184 PolarHBondContact O-SG 3.29Å; N180-C184 VanDerWaalsContact O-SG 3.37Å; E181-C184 WeakPolarHBondContact O-CB 3.5Å; E181-C184 PolarHBondContact O-N 2.69Å; E181-C184 VanDerWaalsContact O-N 3.15Å; M182-C184 VanDerWaalsContact C-N 3.33Å
185	L	88.8	Confident	89.5	Confident	16 Å²	16	52.6 Å²	52.6	8%	0.084	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	26.2	174.8	-61.9	177.1	0	0	0	112.6	K135 L151 R158 D160 E181 M182 S183	K135-L185 HydrophobicContact CB-CD2 4.11Å; L151-L185 HydrophobicContact CD1-CD1 3.66Å; R158-L185 HydrophobicContact CB-CD1 3.73Å; R158-L185 HydrophobicContact CG-CD1 4.4Å; D160-L185 HydrophobicContact CB-CD1 4.3Å; D160-L185 HydrophobicContact CB-CD2 4.18Å; E181-L185 PolarHBondContact O-N 3.02Å; M182-L185 PolarHBondContact O-N 3.21Å; S183-L185 PolarHBondContact O-N 3.1Å
186	S	89.1	Confident	90.1	Very high	35 Å²	35	50.2 Å²	50.2	25%	0.245	27%	0.265	C	S	.	.	S	Bend	trans	-101.4	157.9	174.8	-63.4	0	0	0	0	111.5	M182 S183 S188	M182-S186 PolarHBondContact O-OG 3.34Å; S183-S186 VanDerWaalsContact O-CB 3.29Å; S183-S186 WeakPolarHBondContact O-CB 3.44Å; S183-S186 PolarHBondContact O-N 3.34Å; S183-S186 PolarHBondContact O-OG 3.44Å; S186-S188 PolarHBondContact O-N 3.4Å
187	C	91.7	Very high	90.3	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.014	26%	0.263	C	S	.	.			trans	-60.1	128.7	177.8	176.2	0	0	0	0	111	C21 G23 D190 H192 R193	C21-C187 VanDerWaalsContact SG-CA 3.51Å; C21-C187 VanDerWaalsContact SG-SG 3.63Å; G23-C187 WeakPolarHBondContact O-CA 3.28Å; G23-C187 VanDerWaalsContact O-CB 3.23Å; G23-C187 WeakPolarHBondContact O-CB 3.48Å; G23-C187 PolarHBondContact O-N 2.84Å; C187-D190 PolarHBondContact SG-N 3.18Å; C187-H192 HydrophobicContact CB-CB 4.16Å; C187-R193 HydrophobicContact CB-CG 3.91Å; C187-R193 VanDerWaalsContact O-CZ 3.27Å; C187-R193 PolarHBondContact O-NE 3.19Å; C187-R193 PolarHBondContact O-NH2 3.19Å
188	S	90	Very high	90.3	Very high	73 Å²	73	48.6 Å²	48.6	51%	0.51	26%	0.255	S	S	.	.	S	Bend	trans	-113.7	-9.2	176.8	57.8	0	0	0	0	114.1	C21 S186	C21-S188 PolarHBondContact SG-N 2.89Å; S186-S188 PolarHBondContact O-N 3.4Å
189	C	87.8	Confident	90.4	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.014	25%	0.251	C	S	.	.	S	Bend	trans	-101.1	-2.1	-176.6	70.8	0	0	0	0	114.7	E17 I18 C21 L191 H192 L271	E17-C189 HydrophobicContact CB-CB 4.44Å; E17-C189 WeakPolarHBondContact O-CB 3.33Å; I18-C189 HydrophobicContact CB-CB 4.32Å; I18-C189 HydrophobicContact CG1-CB 3.84Å; C21-C189 HydrophobicContact CB-CB 3.9Å; C21-C189 PolarHBondContact SG-SG 2.95Å; C189-L191 PolarHBondContact O-N 2.97Å; C189-H192 VanDerWaalsContact SG-CE1 3.51Å; C189-H192 PolarHBondContact SG-ND1 3.32Å; C189-L271 WeakPolarHBondContact O-CD1 3.46Å
190	D	89.4	Confident	90.5	Very high	46 Å²	46	39.2 Å²	39.2	25%	0.246	22%	0.218	C	C	.	.	S	Bend	trans	61.7	-26.9	-171	-57	-50.7	0	0	0	116.6	C187 H192 R193 V194 R274	C187-D190 PolarHBondContact SG-N 3.18Å; D190-H192 VanDerWaalsContact C-N 3.3Å; D190-H192 PolarHBondContact O-N 2.78Å; D190-R193 WeakPolarHBondContact O-CB 3.26Å; D190-R193 PolarHBondContact O-N 3.1Å; D190-R193 IonicContact OD1-CZ 2.81Å; D190-R193 IonicContact OD1-NH1 3.26Å; D190-R193 PolarHBondContact OD1-NH1 2.76Å; D190-V194 WeakPolarHBondContact O-CG2 3.25Å; D190-V194 PolarHBondContact O-N 2.87Å; D190-V194 VanDerWaalsContact O-N 3.12Å; D190-R274 IonicContact OD2-CZ 3.01Å; D190-R274 IonicContact OD2-NH1 3.32Å; D190-R274 IonicContact OD2-NH2 3.79Å; D190-R274 PolarHBondContact OD2-NH2 2.84Å
191	L	91.8	Very high	90.3	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-51.3	-46.9	178.5	-173.4	149.3	0	0	0	112.5	F13 I18 C189 R193 V194 W195 I200 L271	F13-L191 HydrophobicContact CD1-CD1 4.47Å; F13-L191 HydrophobicContact CE1-CD1 4.16Å; I18-L191 HydrophobicContact CD1-CD1 3.92Å; C189-L191 PolarHBondContact O-N 2.97Å; L191-R193 PolarHBondContact O-N 3.26Å; L191-V194 PolarHBondContact O-N 3.41Å; L191-W195 HydrophobicContact CD1-CD2 4.48Å; L191-W195 HydrophobicContact CD1-CE3 4.1Å; L191-W195 HydrophobicContact CD1-CZ3 4.31Å; L191-W195 HydrophobicContact CD2-CB 4.4Å; L191-W195 HydrophobicContact CD2-CE3 4.46Å; L191-W195 HydrophobicContact CG-CB 4.47Å; L191-W195 HydrophobicContact CG-CD2 4.21Å; L191-W195 HydrophobicContact CG-CE3 4.17Å; L191-W195 HydrophobicContact CG-CG 4.34Å; L191-W195 WeakPolarHBondContact O-CB 3.27Å; L191-W195 PolarHBondContact O-N 2.63Å; L191-I200 HydrophobicContact CD2-CD1 3.5Å; L191-I200 HydrophobicContact CD2-CG1 3.97Å; L191-L271 HydrophobicContact CB-CD1 4.5Å; L191-L271 HydrophobicContact CB-CD2 3.81Å; L191-L271 HydrophobicContact CD1-CD2 4.35Å; L191-L271 HydrophobicContact CG-CD2 4.1Å
192	H	90.8	Very high	90.3	Very high	8 Å²	8	33.8 Å²	33.8	4%	0.037	19%	0.192	C	C	.	.	H	α-helix	trans	-71.9	-16.9	-178.4	-51.6	118.1	0	0	0	114.3	L6 C21 G23 L24 C187 C189 D190	L6-H192 WeakPolarHBondContact CB-NE2 3.37Å; C21-H192 PolarHBondContact SG-ND1 3.21Å; G23-H192 WeakPolarHBondContact CA-ND1 3.29Å; L24-H192 HydrophobicContact CB-CB 4.1Å; L24-H192 WeakPolarHBondContact CD1-O 3.32Å; C187-H192 HydrophobicContact CB-CB 4.16Å; C189-H192 VanDerWaalsContact SG-CE1 3.51Å; C189-H192 PolarHBondContact SG-ND1 3.32Å; D190-H192 VanDerWaalsContact C-N 3.3Å; D190-H192 PolarHBondContact O-N 2.78Å
193	R	90.1	Very high	90.4	Very high	148 Å²	148	33.3 Å²	33.3	56%	0.558	19%	0.19	S	C	*	.	H	α-helix	trans	-81.9	-32.5	173.4	-64	174.7	-179.7	168.7	-5.5	111.4	L24 C187 D190 L191	L24-R193 HydrophobicContact CD1-CG 4.28Å; C187-R193 HydrophobicContact CB-CG 3.91Å; C187-R193 VanDerWaalsContact O-CZ 3.27Å; C187-R193 PolarHBondContact O-NE 3.19Å; C187-R193 PolarHBondContact O-NH2 3.19Å; D190-R193 WeakPolarHBondContact O-CB 3.26Å; D190-R193 PolarHBondContact O-N 3.1Å; D190-R193 IonicContact OD1-CZ 2.81Å; D190-R193 IonicContact OD1-NH1 3.26Å; D190-R193 PolarHBondContact OD1-NH1 2.76Å; L191-R193 PolarHBondContact O-N 3.26Å
194	V	91.6	Very high	90.2	Very high	28 Å²	28	31.4 Å²	31.4	17%	0.17	17%	0.173	C	C	.	.	H	α-helix	trans	-98.9	-42	-170.9	-175.2	0	0	0	0	112	D190 L191	D190-V194 WeakPolarHBondContact O-CG2 3.25Å; D190-V194 PolarHBondContact O-N 2.87Å; D190-V194 VanDerWaalsContact O-N 3.12Å; L191-V194 PolarHBondContact O-N 3.41Å
195	W	92.5	Very high	90.1	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.015	15%	0.153	C	C	.	.	S	Bend	trans	-95.4	121.6	-175.8	-68.2	14.5	0	0	0	110.2	F13 L191 I200 L203 C239 S268 L272	F13-W195 HydrophobicContact CE1-CH2 4.11Å; F13-W195 HydrophobicContact CE1-CZ3 4.46Å; F13-W195 HydrophobicContact CZ-CH2 4.01Å; L191-W195 HydrophobicContact CD1-CD2 4.48Å; L191-W195 HydrophobicContact CD1-CE3 4.1Å; L191-W195 HydrophobicContact CD1-CZ3 4.31Å; L191-W195 HydrophobicContact CD2-CB 4.4Å; L191-W195 HydrophobicContact CD2-CE3 4.46Å; L191-W195 HydrophobicContact CG-CB 4.47Å; L191-W195 HydrophobicContact CG-CD2 4.21Å; L191-W195 HydrophobicContact CG-CE3 4.17Å; L191-W195 HydrophobicContact CG-CG 4.34Å; L191-W195 WeakPolarHBondContact O-CB 3.27Å; L191-W195 PolarHBondContact O-N 2.63Å; W195-I200 HydrophobicContact CB-CD1 4.15Å; W195-I200 HydrophobicContact CB-CG1 3.86Å; W195-I200 WeakPolarHBondContact O-CD1 3.37Å; W195-L203 HydrophobicContact CE3-CD1 3.58Å; W195-L203 HydrophobicContact CH2-CD1 3.97Å; W195-L203 HydrophobicContact CZ3-CD1 3.19Å; W195-C239 HydrophobicContact CD2-CB 3.97Å; W195-C239 VanDerWaalsContact CE2-CA 3.48Å; W195-C239 HydrophobicContact CG-CB 3.94Å; W195-C239 VanDerWaalsContact CZ2-C 3.41Å; W195-C239 HydrophobicContact CZ2-CB 4.27Å; W195-S268 PolarHBondContact NE1-OG 2.86Å; W195-S268 VanDerWaalsContact NE1-OG 3.16Å; W195-L272 HydrophobicContact CH2-CD2 4.48Å; W195-L272 HydrophobicContact CZ2-CD1 4.47Å; W195-L272 HydrophobicContact CZ2-CD2 4.02Å; W195-L272 HydrophobicContact CZ2-CG 4.39Å
196	P	91.2	Very high	90.1	Very high	53 Å²	53	31.2 Å²	31.2	34%	0.344	17%	0.174	S	C	.	.			trans	-61	150.2	177.3	-24.6	34.5	0	0	0	112.4	T198 R199 I200	P196-T198 PolarHBondContact O-N 2.99Å; P196-R199 HydrophobicContact CB-CB 4.41Å; P196-R199 WeakPolarHBondContact O-CA 3.17Å; P196-R199 WeakPolarHBondContact O-CB 2.84Å; P196-R199 PolarHBondContact O-N 3.01Å; P196-I200 WeakPolarHBondContact O-CG1 2.99Å; P196-I200 PolarHBondContact O-N 3.16Å
197	R	90.7	Very high	90	Very high	46 Å²	46	31.3 Å²	31.3	17%	0.174	17%	0.172	C	C	.	.	H	α-helix	trans	-53.3	-39.9	177.9	-68.8	-179.8	176.5	132.1	-3	112.9	S26 T27 F28 R199 I200 S201	S26-R197 PolarHBondContact O-NH2 3.14Å; S26-R197 PolarHBondContact OG-NH2 3.43Å; T27-R197 PolarHBondContact O-NH1 2.59Å; F28-R197 HydrophobicContact CZ-CB 4.41Å; R197-R199 VanDerWaalsContact C-N 3.34Å; R197-I200 PolarHBondContact O-N 2.81Å; R197-S201 WeakPolarHBondContact O-CB 3.46Å; R197-S201 PolarHBondContact O-N 3.46Å
198	T	89.7	Confident	90	Very high	55 Å²	55	31.2 Å²	31.2	34%	0.337	17%	0.172	S	C	.	.	H	α-helix	trans	-64.7	-37.8	178.2	49.6	0	0	0	0	112.5	P196 S201 E202 G508	P196-T198 PolarHBondContact O-N 2.99Å; T198-S201 PolarHBondContact O-N 3.41Å; T198-E202 WeakPolarHBondContact O-CB 3.48Å; T198-E202 PolarHBondContact O-N 3.4Å; T198-G508 WeakPolarHBondContact CB-O 3.37Å; T198-G508 PolarHBondContact O-N 3.39Å
199	R	92.3	Very high	90	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-69.8	-45.2	175.4	-177.5	53.2	173.6	170.7	0.9	111.4	P196 R197 S201 E202 L203 C239 E319 Y321	P196-R199 HydrophobicContact CB-CB 4.41Å; P196-R199 WeakPolarHBondContact O-CA 3.17Å; P196-R199 WeakPolarHBondContact O-CB 2.84Å; P196-R199 PolarHBondContact O-N 3.01Å; R197-R199 VanDerWaalsContact C-N 3.34Å; R199-S201 VanDerWaalsContact C-N 3.26Å; R199-S201 PolarHBondContact O-N 3.07Å; R199-E202 WeakPolarHBondContact CD-OE2 3.43Å; R199-E202 IonicContact CZ-OE2 3.35Å; R199-E202 VanDerWaalsContact NH1-CD 3.29Å; R199-E202 IonicContact NH1-OE1 2.68Å; R199-E202 IonicContact NH1-OE2 3.79Å; R199-E202 PolarHBondContact NH1-OE2 2.86Å; R199-E202 WeakPolarHBondContact O-CB 3.41Å; R199-E202 PolarHBondContact O-N 3.21Å; R199-E202 VanDerWaalsContact O-N 3.12Å; R199-L203 HydrophobicContact CG-CD1 4.18Å; R199-L203 HydrophobicContact CG-CG 4.46Å; R199-L203 WeakPolarHBondContact O-CB 3.35Å; R199-L203 VanDerWaalsContact O-CG 3.3Å; R199-L203 WeakPolarHBondContact O-CG 3.49Å; R199-L203 PolarHBondContact O-N 2.99Å; R199-C239 HydrophobicContact CG-CB 4.21Å; R199-C239 PolarHBondContact NE-O 2.87Å; R199-C239 PolarHBondContact NH2-O 3.49Å; R199-C239 VanDerWaalsContact NH2-O 3.12Å; R199-E319 IonicContact CZ-OE2 2.9Å; R199-E319 IonicContact NH1-OE2 3.2Å; R199-E319 IonicContact NH2-OE2 2.63Å; R199-E319 PolarHBondContact NH2-OE2 3.25Å; R199-Y321 HydrophobicContact CB-CE2 4.21Å; R199-Y321 HydrophobicContact CG-CE1 3.92Å; R199-Y321 HydrophobicContact CG-CE2 4.16Å
200	I	90.7	Very high	90.1	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-58.7	-41.7	174.2	-61.3	170.7	0	0	0	110.5	L6 L191 W195 P196 R197 N204	L6-I200 HydrophobicContact CD2-CB 4.39Å; L6-I200 HydrophobicContact CD2-CD1 3.65Å; L6-I200 HydrophobicContact CD2-CG2 3.92Å; L191-I200 HydrophobicContact CD2-CD1 3.5Å; L191-I200 HydrophobicContact CD2-CG1 3.97Å; W195-I200 HydrophobicContact CB-CD1 4.15Å; W195-I200 HydrophobicContact CB-CG1 3.86Å; W195-I200 WeakPolarHBondContact O-CD1 3.37Å; P196-I200 WeakPolarHBondContact O-CG1 2.99Å; P196-I200 PolarHBondContact O-N 3.16Å; R197-I200 PolarHBondContact O-N 2.81Å; I200-N204 WeakPolarHBondContact O-CB 3.41Å; I200-N204 PolarHBondContact O-N 3.3Å; I200-N204 PolarHBondContact O-ND2 3.29Å
201	S	88.7	Confident	90.2	Very high	21 Å²	21	35.6 Å²	35.6	15%	0.147	18%	0.184	C	C	.	.	H	α-helix	trans	-67.5	-34.1	176.2	-174.4	0	0	0	0	113.3	R197 T198 R199	R197-S201 WeakPolarHBondContact O-CB 3.46Å; R197-S201 PolarHBondContact O-N 3.46Å; T198-S201 PolarHBondContact O-N 3.41Å; R199-S201 VanDerWaalsContact C-N 3.26Å; R199-S201 PolarHBondContact O-N 3.07Å
202	E	91.1	Very high	90.2	Very high	7 Å²	7	35.9 Å²	35.9	3%	0.033	19%	0.187	C	C	.	.	H	α-helix	trans	-67	-50.8	176.5	-177	-170.5	-173	0	0	111	T198 R199 N204 S205 Y208 Y487 P489 R507	T198-E202 WeakPolarHBondContact O-CB 3.48Å; T198-E202 PolarHBondContact O-N 3.4Å; R199-E202 WeakPolarHBondContact CD-OE2 3.43Å; R199-E202 IonicContact CZ-OE2 3.35Å; R199-E202 VanDerWaalsContact NH1-CD 3.29Å; R199-E202 IonicContact NH1-OE1 2.68Å; R199-E202 IonicContact NH1-OE2 3.79Å; R199-E202 PolarHBondContact NH1-OE2 2.86Å; R199-E202 WeakPolarHBondContact O-CB 3.41Å; R199-E202 PolarHBondContact O-N 3.21Å; R199-E202 VanDerWaalsContact O-N 3.12Å; E202-N204 PolarHBondContact O-N 2.64Å; E202-S205 WeakPolarHBondContact O-CB 3.24Å; E202-S205 PolarHBondContact O-N 3.49Å; E202-S205 PolarHBondContact O-OG 3.2Å; E202-Y208 WeakPolarHBondContact O-CB 3.49Å; E202-Y487 PolarHBondContact OE1-OH 3.46Å; E202-P489 WeakPolarHBondContact OE1-CB 3.45Å; E202-R507 HydrophobicContact CB-CB 4.42Å
203	L	91.3	Very high	90.3	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-58.5	-31	179.1	-74.9	-177.1	0	0	0	112.7	W195 R199 S205 Y208 Y241	W195-L203 HydrophobicContact CE3-CD1 3.58Å; W195-L203 HydrophobicContact CH2-CD1 3.97Å; W195-L203 HydrophobicContact CZ3-CD1 3.19Å; R199-L203 HydrophobicContact CG-CD1 4.18Å; R199-L203 HydrophobicContact CG-CG 4.46Å; R199-L203 WeakPolarHBondContact O-CB 3.35Å; R199-L203 VanDerWaalsContact O-CG 3.3Å; R199-L203 WeakPolarHBondContact O-CG 3.49Å; R199-L203 PolarHBondContact O-N 2.99Å; L203-S205 VanDerWaalsContact C-N 3.31Å; L203-S205 PolarHBondContact O-N 3.19Å; L203-Y208 HydrophobicContact CD2-CD1 4.35Å; L203-Y208 HydrophobicContact CD2-CD2 3.94Å; L203-Y208 HydrophobicContact CD2-CE1 3.99Å; L203-Y208 HydrophobicContact CD2-CE2 3.49Å; L203-Y208 VanDerWaalsContact CD2-CE2 3.49Å; L203-Y208 HydrophobicContact CD2-CG 4.32Å; L203-Y208 VanDerWaalsContact CD2-CZ 3.47Å; L203-Y241 HydrophobicContact CB-CD1 4.46Å; L203-Y241 HydrophobicContact CB-CE1 3.81Å; L203-Y241 HydrophobicContact CD1-CD1 4.22Å; L203-Y241 HydrophobicContact CD1-CE1 4.34Å; L203-Y241 HydrophobicContact CD2-CD1 4.04Å; L203-Y241 HydrophobicContact CD2-CE1 3.68Å; L203-Y241 HydrophobicContact CG-CD1 4.48Å; L203-Y241 HydrophobicContact CG-CE1 4.14Å; L203-Y241 PolarHBondContact O-OH 3.38Å; L203-Y241 VanDerWaalsContact O-OH 3.1Å
204	N	86.6	Confident	90.3	Very high	38 Å²	38	33.6 Å²	33.6	20%	0.203	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	1.7	175.3	-83.6	-57.8	0	0	0	115.4	F7 T8 D9 I200 E202	F7-N204 PolarHBondContact O-ND2 3.47Å; F7-N204 VanDerWaalsContact O-ND2 3.11Å; F7-N204 PolarHBondContact O-OD1 2.98Å; F7-N204 VanDerWaalsContact O-OD1 3.1Å; T8-N204 WeakPolarHBondContact CA-OD1 2.85Å; D9-N204 PolarHBondContact N-OD1 3.33Å; I200-N204 WeakPolarHBondContact O-CB 3.41Å; I200-N204 PolarHBondContact O-N 3.3Å; I200-N204 PolarHBondContact O-ND2 3.29Å; E202-N204 PolarHBondContact O-N 2.64Å
205	S	86.9	Confident	90.2	Very high	7 Å²	7	32.3 Å²	32.3	5%	0.049	18%	0.178	C	C	.	.	S	Bend	trans	-86	154.2	-172.8	72.2	0	0	0	0	113.9	E202 L203 D207 Y208 K209	E202-S205 WeakPolarHBondContact O-CB 3.24Å; E202-S205 PolarHBondContact O-N 3.49Å; E202-S205 PolarHBondContact O-OG 3.2Å; L203-S205 VanDerWaalsContact C-N 3.31Å; L203-S205 PolarHBondContact O-N 3.19Å; S205-D207 PolarHBondContact O-N 2.83Å; S205-Y208 PolarHBondContact O-N 2.89Å; S205-Y208 WeakPolarHBondContact OG-CB 3.1Å; S205-Y208 PolarHBondContact OG-N 2.93Å; S205-K209 PolarHBondContact O-N 3.43Å
206	S	87.2	Confident	90.1	Very high	76 Å²	76	33.5 Å²	33.5	53%	0.531	18%	0.184	S	C	.	.	H	α-helix	trans	-57.4	-34.1	167	56.3	0	0	0	0	112.6	K209 T210	S206-K209 PolarHBondContact O-N 3.22Å; S206-T210 WeakPolarHBondContact O-CB 3.48Å; S206-T210 PolarHBondContact O-N 3.19Å; S206-T210 PolarHBondContact O-OG1 3.13Å
207	D	88	Confident	90.1	Very high	38 Å²	38	34.7 Å²	34.7	20%	0.203	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-46.3	179.1	-68.8	3.3	0	0	0	110.3	S205 T210 F211 Y487 K505 R507	S205-D207 PolarHBondContact O-N 2.83Å; D207-T210 WeakPolarHBondContact O-CB 3.42Å; D207-T210 PolarHBondContact O-N 3.38Å; D207-F211 WeakPolarHBondContact O-CB 3.26Å; D207-F211 PolarHBondContact O-N 2.66Å; D207-Y487 HydrophobicContact CB-CE2 4.36Å; D207-K505 VanDerWaalsContact OD2-CE 3.27Å; D207-K505 WeakPolarHBondContact OD2-CE 3.31Å; D207-K505 IonicContact OD2-NZ 2.83Å; D207-K505 PolarHBondContact OD2-NZ 2.58Å; D207-R507 IonicContact OD1-CZ 3.04Å; D207-R507 IonicContact OD1-NH2 3.61Å; D207-R507 PolarHBondContact OD1-NH2 3.04Å; D207-R507 IonicContact OD2-CZ 3.84Å; D207-R507 IonicContact OD2-NE 3.62Å; D207-R507 PolarHBondContact OD2-NE 2.6Å; D207-R507 IonicContact OD2-NH2 2.74Å; D207-R507 PolarHBondContact OD2-NH2 3.12Å
208	Y	91.1	Very high	89.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.7	-40.9	177.2	-171.7	-81.6	0	0	0	111.7	E202 L203 S205 T210 F211 S212 T240 Y241 E319	E202-Y208 WeakPolarHBondContact O-CB 3.49Å; L203-Y208 HydrophobicContact CD2-CD1 4.35Å; L203-Y208 HydrophobicContact CD2-CD2 3.94Å; L203-Y208 HydrophobicContact CD2-CE1 3.99Å; L203-Y208 HydrophobicContact CD2-CE2 3.49Å; L203-Y208 VanDerWaalsContact CD2-CE2 3.49Å; L203-Y208 HydrophobicContact CD2-CG 4.32Å; L203-Y208 VanDerWaalsContact CD2-CZ 3.47Å; S205-Y208 PolarHBondContact O-N 2.89Å; S205-Y208 WeakPolarHBondContact OG-CB 3.1Å; S205-Y208 PolarHBondContact OG-N 2.93Å; Y208-T210 VanDerWaalsContact C-N 3.28Å; Y208-T210 PolarHBondContact O-N 2.91Å; Y208-F211 AromaticContact CD2-CD1 3.83Å; Y208-F211 HydrophobicContact CD2-CD1 3.83Å; Y208-F211 HydrophobicContact CD2-CE1 4.4Å; Y208-F211 HydrophobicContact CE1-CD1 4.44Å; Y208-F211 AromaticContact CE2-CD1 3.69Å; Y208-F211 HydrophobicContact CE2-CD1 3.69Å; Y208-F211 AromaticContact CE2-CE1 3.81Å; Y208-F211 HydrophobicContact CE2-CE1 3.81Å; Y208-F211 HydrophobicContact CG-CD1 4.32Å; Y208-F211 VanDerWaalsContact O-CB 3.32Å; Y208-F211 WeakPolarHBondContact O-CB 2.84Å; Y208-F211 PolarHBondContact O-N 2.81Å; Y208-S212 PolarHBondContact O-N 3.37Å; Y208-S212 PolarHBondContact O-OG 2.95Å; Y208-T240 PolarHBondContact OH-OG1 2.86Å; Y208-Y241 HydrophobicContact CD1-CE1 4.32Å; Y208-Y241 HydrophobicContact CD1-CE2 4.38Å; Y208-Y241 AromaticContact CD1-CZ 3.65Å; Y208-Y241 WeakPolarHBondContact CD1-OH 3.42Å; Y208-Y241 AromaticContact CE1-CE1 3.82Å; Y208-Y241 HydrophobicContact CE1-CE1 3.82Å; Y208-Y241 AromaticContact CE1-CE2 3.53Å; Y208-Y241 HydrophobicContact CE1-CE2 3.53Å; Y208-Y241 AromaticContact CE1-CZ 3.12Å; Y208-Y241 WeakPolarHBondContact CE1-OH 3.28Å; Y208-Y241 AromaticContact CZ-CZ 4Å; Y208-E319 HydrophobicContact CE2-CG 4.17Å; Y208-E319 WeakPolarHBondContact CE2-OE2 3.41Å; Y208-E319 PolarHBondContact OH-OE1 2.82Å; Y208-E319 PolarHBondContact OH-OE2 3.09Å
209	K	90.6	Very high	89.7	Confident	145 Å²	145	29.9 Å²	29.9	63%	0.63	16%	0.164	S	C	*	.	H	α-helix	trans	-58.7	-40.8	172.8	-175.7	176	-177.5	173.3	0	112.2	S205 S206 S212 T213	S205-K209 PolarHBondContact O-N 3.43Å; S206-K209 PolarHBondContact O-N 3.22Å; K209-S212 PolarHBondContact O-OG 3.5Å; K209-T213 VanDerWaalsContact O-CB 3.28Å; K209-T213 WeakPolarHBondContact O-CB 2.68Å; K209-T213 PolarHBondContact O-N 3.27Å; K209-T213 VanDerWaalsContact O-N 3.07Å; K209-T213 PolarHBondContact O-OG1 3.39Å
210	T	90.5	Very high	89.5	Confident	67 Å²	67	31.4 Å²	31.4	41%	0.411	17%	0.172	S	C	.	.	H	α-helix	trans	-65.4	-46.2	175.3	-58.6	0	0	0	0	110.6	S206 D207 Y208 T213 K214	S206-T210 WeakPolarHBondContact O-CB 3.48Å; S206-T210 PolarHBondContact O-N 3.19Å; S206-T210 PolarHBondContact O-OG1 3.13Å; D207-T210 WeakPolarHBondContact O-CB 3.42Å; D207-T210 PolarHBondContact O-N 3.38Å; Y208-T210 VanDerWaalsContact C-N 3.28Å; Y208-T210 PolarHBondContact O-N 2.91Å; T210-T213 PolarHBondContact O-N 3.02Å; T210-K214 HydrophobicContact CG2-CD 4.42Å; T210-K214 WeakPolarHBondContact O-CG 3.5Å; T210-K214 PolarHBondContact O-N 2.82Å
211	F	91.6	Very high	89.2	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-54.5	-56.9	175.3	159.6	-104.6	0	0	0	111.9	D207 Y208 T213 K214 I215 L242 E319 Y473 W485 Y487	D207-F211 WeakPolarHBondContact O-CB 3.26Å; D207-F211 PolarHBondContact O-N 2.66Å; Y208-F211 AromaticContact CD2-CD1 3.83Å; Y208-F211 HydrophobicContact CD2-CD1 3.83Å; Y208-F211 HydrophobicContact CD2-CE1 4.4Å; Y208-F211 HydrophobicContact CE1-CD1 4.44Å; Y208-F211 AromaticContact CE2-CD1 3.69Å; Y208-F211 HydrophobicContact CE2-CD1 3.69Å; Y208-F211 AromaticContact CE2-CE1 3.81Å; Y208-F211 HydrophobicContact CE2-CE1 3.81Å; Y208-F211 HydrophobicContact CG-CD1 4.32Å; Y208-F211 VanDerWaalsContact O-CB 3.32Å; Y208-F211 WeakPolarHBondContact O-CB 2.84Å; Y208-F211 PolarHBondContact O-N 2.81Å; F211-T213 VanDerWaalsContact C-N 3.3Å; F211-T213 PolarHBondContact O-N 3.02Å; F211-K214 PolarHBondContact O-N 2.87Å; F211-K214 VanDerWaalsContact O-N 3.14Å; F211-I215 HydrophobicContact CD2-CG1 4.08Å; F211-I215 HydrophobicContact CE2-CD1 3.97Å; F211-I215 HydrophobicContact CE2-CG1 3.41Å; F211-I215 VanDerWaalsContact CE2-CG1 3.41Å; F211-I215 HydrophobicContact CZ-CD1 4.49Å; F211-I215 HydrophobicContact CZ-CG1 3.73Å; F211-I215 PolarHBondContact O-N 3.19Å; F211-L242 HydrophobicContact CE1-CD2 4.43Å; F211-L242 HydrophobicContact CZ-CD2 4.32Å; F211-E319 HydrophobicContact CD1-CG 4.4Å; F211-E319 HydrophobicContact CE1-CG 3.26Å; F211-E319 HydrophobicContact CZ-CG 3.39Å; F211-Y473 HydrophobicContact CD2-CD1 4.18Å; F211-Y473 AromaticContact CD2-CE1 3.96Å; F211-Y473 HydrophobicContact CD2-CE1 3.96Å; F211-Y473 AromaticContact CE2-CD1 3.69Å; F211-Y473 HydrophobicContact CE2-CD1 3.69Å; F211-Y473 AromaticContact CE2-CE1 3.2Å; F211-Y473 HydrophobicContact CE2-CE1 3.2Å; F211-Y473 HydrophobicContact CE2-CE2 4.48Å; F211-Y473 AromaticContact CE2-CZ 3.58Å; F211-Y473 HydrophobicContact CZ-CE1 4.1Å; F211-W485 HydrophobicContact CB-CH2 3.66Å; F211-W485 HydrophobicContact CB-CZ2 4.41Å; F211-W485 AromaticContact CD2-CH2 3.72Å; F211-W485 HydrophobicContact CD2-CH2 3.72Å; F211-W485 AromaticContact CD2-CZ3 3.9Å; F211-W485 HydrophobicContact CD2-CZ3 3.9Å; F211-W485 HydrophobicContact CG-CH2 4.19Å; F211-Y487 HydrophobicContact CB-CD2 4.15Å; F211-Y487 HydrophobicContact CB-CE2 3.88Å; F211-Y487 HydrophobicContact CD2-CD1 4.42Å; F211-Y487 HydrophobicContact CD2-CG 4.47Å; F211-Y487 HydrophobicContact CG-CE1 4.44Å; F211-Y487 HydrophobicContact CG-CE2 4.36Å
212	S	91.5	Very high	88.9	Confident	7 Å²	7	32.9 Å²	32.9	5%	0.049	18%	0.18	C	C	.	.	H	α-helix	trans	-62.8	-38.6	-177.4	68.3	0	0	0	0	111.5	Y208 K209 I215 I216	Y208-S212 PolarHBondContact O-N 3.37Å; Y208-S212 PolarHBondContact O-OG 2.95Å; K209-S212 PolarHBondContact O-OG 3.5Å; S212-I215 PolarHBondContact O-N 2.9Å; S212-I216 WeakPolarHBondContact O-CB 3.28Å; S212-I216 WeakPolarHBondContact O-CD1 3.44Å; S212-I216 WeakPolarHBondContact O-CG1 3.24Å; S212-I216 PolarHBondContact O-N 3.09Å
213	T	91.5	Very high	88.4	Confident	62 Å²	62	33.2 Å²	33.2	38%	0.38	18%	0.182	S	C	.	.	H	α-helix	trans	-62.8	-43.1	175.4	-58.8	0	0	0	0	111.7	K209 T210 F211 I216 N217	K209-T213 VanDerWaalsContact O-CB 3.28Å; K209-T213 WeakPolarHBondContact O-CB 2.68Å; K209-T213 PolarHBondContact O-N 3.27Å; K209-T213 VanDerWaalsContact O-N 3.07Å; K209-T213 PolarHBondContact O-OG1 3.39Å; T210-T213 PolarHBondContact O-N 3.02Å; F211-T213 VanDerWaalsContact C-N 3.3Å; F211-T213 PolarHBondContact O-N 3.02Å; T213-I216 PolarHBondContact O-N 3.17Å; T213-N217 WeakPolarHBondContact O-CB 3.24Å; T213-N217 VanDerWaalsContact O-CG 3.26Å; T213-N217 PolarHBondContact O-N 3.28Å; T213-N217 PolarHBondContact O-ND2 2.89Å
214	K	90.7	Very high	87.9	Confident	47 Å²	47	39.6 Å²	39.6	20%	0.204	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-42.3	177.7	-77.6	-172.6	174.8	-155.6	0	112.2	T210 F211 S218 T475 W485	T210-K214 HydrophobicContact CG2-CD 4.42Å; T210-K214 WeakPolarHBondContact O-CG 3.5Å; T210-K214 PolarHBondContact O-N 2.82Å; F211-K214 PolarHBondContact O-N 2.87Å; F211-K214 VanDerWaalsContact O-N 3.14Å; K214-S218 VanDerWaalsContact O-CB 3.24Å; K214-S218 WeakPolarHBondContact O-CB 3.39Å; K214-S218 PolarHBondContact O-N 3.36Å; K214-S218 PolarHBondContact O-OG 2.72Å; K214-T475 HydrophobicContact CB-CG2 4.19Å; K214-W485 HydrophobicContact CB-CE3 4.47Å; K214-W485 HydrophobicContact CB-CZ3 4.46Å; K214-W485 HydrophobicContact CD-CD2 3.48Å; K214-W485 VanDerWaalsContact CD-CD2 3.48Å; K214-W485 HydrophobicContact CD-CE3 3.59Å; K214-W485 HydrophobicContact CD-CG 3.93Å; K214-W485 HydrophobicContact CD-CH2 4.46Å; K214-W485 HydrophobicContact CD-CZ2 4.3Å; K214-W485 HydrophobicContact CD-CZ3 4.12Å
215	I	90.3	Very high	87.5	Confident	1 Å²	1	45 Å²	45	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-58.7	-49.8	173.2	-71.3	-61.2	0	0	0	110.6	F211 S212 N217 S218 L219 L242 L246 I317 F354 Y473	F211-I215 HydrophobicContact CD2-CG1 4.08Å; F211-I215 HydrophobicContact CE2-CD1 3.97Å; F211-I215 HydrophobicContact CE2-CG1 3.41Å; F211-I215 VanDerWaalsContact CE2-CG1 3.41Å; F211-I215 HydrophobicContact CZ-CD1 4.49Å; F211-I215 HydrophobicContact CZ-CG1 3.73Å; F211-I215 PolarHBondContact O-N 3.19Å; S212-I215 PolarHBondContact O-N 2.9Å; I215-N217 PolarHBondContact O-N 2.78Å; I215-S218 WeakPolarHBondContact O-CB 3.33Å; I215-S218 PolarHBondContact O-N 2.79Å; I215-L219 WeakPolarHBondContact O-CB 3.21Å; I215-L219 PolarHBondContact O-N 3.03Å; I215-L242 HydrophobicContact CG2-CD1 4.33Å; I215-L246 HydrophobicContact CG2-CD2 3.99Å; I215-I317 HydrophobicContact CG2-CD1 4.38Å; I215-I317 HydrophobicContact CG2-CG2 4.08Å; I215-F354 HydrophobicContact CD1-CE1 4.39Å; I215-Y473 HydrophobicContact CD1-CD1 3.56Å; I215-Y473 HydrophobicContact CD1-CE1 4.02Å; I215-Y473 HydrophobicContact CG1-CD1 4.38Å
216	I	90.8	Very high	86.7	Confident	28 Å²	28	48.1 Å²	48.1	14%	0.144	25%	0.249	C	C	.	.	H	α-helix	trans	-59.9	-49.5	-179.4	-72.9	163.9	0	0	0	111.5	S212 T213 S218 L219 I220 L245 L246 V249	S212-I216 WeakPolarHBondContact O-CB 3.28Å; S212-I216 WeakPolarHBondContact O-CD1 3.44Å; S212-I216 WeakPolarHBondContact O-CG1 3.24Å; S212-I216 PolarHBondContact O-N 3.09Å; T213-I216 PolarHBondContact O-N 3.17Å; I216-S218 VanDerWaalsContact C-N 3.26Å; I216-S218 PolarHBondContact O-N 3.36Å; I216-L219 PolarHBondContact O-N 2.63Å; I216-I220 HydrophobicContact CG2-CD1 3.81Å; I216-I220 HydrophobicContact CG2-CG1 4.46Å; I216-I220 VanDerWaalsContact O-CG1 3.31Å; I216-I220 WeakPolarHBondContact O-CG1 3.27Å; I216-I220 PolarHBondContact O-N 3.07Å; I216-L245 HydrophobicContact CD1-CB 3.92Å; I216-L245 HydrophobicContact CD1-CD1 4.11Å; I216-L246 HydrophobicContact CG1-CD2 4.17Å; I216-V249 HydrophobicContact CB-CG2 4.45Å; I216-V249 HydrophobicContact CG1-CG2 4.22Å; I216-V249 HydrophobicContact CG2-CG1 4.45Å; I216-V249 HydrophobicContact CG2-CG2 3.53Å
217	N	89.7	Confident	85.5	Confident	78 Å²	78	50.5 Å²	50.5	42%	0.417	27%	0.266	S	S	.	.	H	α-helix	trans	-62.4	-37.7	179.9	-70.8	-15.2	0	0	0	111.9	T213 I215 T221 A477	T213-N217 WeakPolarHBondContact O-CB 3.24Å; T213-N217 VanDerWaalsContact O-CG 3.26Å; T213-N217 PolarHBondContact O-N 3.28Å; T213-N217 PolarHBondContact O-ND2 2.89Å; I215-N217 PolarHBondContact O-N 2.78Å; N217-T221 PolarHBondContact O-N 3.04Å; N217-T221 PolarHBondContact O-OG1 3.11Å; N217-A477 HydrophobicContact CB-CB 4.18Å
218	S	86.6	Confident	84.2	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.007	27%	0.267	C	S	.	.	H	α-helix	trans	-66	-43.4	176.4	-61.7	0	0	0	0	111.1	K214 I215 I216 T221 V222 T475	K214-S218 VanDerWaalsContact O-CB 3.24Å; K214-S218 WeakPolarHBondContact O-CB 3.39Å; K214-S218 PolarHBondContact O-N 3.36Å; K214-S218 PolarHBondContact O-OG 2.72Å; I215-S218 WeakPolarHBondContact O-CB 3.33Å; I215-S218 PolarHBondContact O-N 2.79Å; I216-S218 VanDerWaalsContact C-N 3.26Å; I216-S218 PolarHBondContact O-N 3.36Å; S218-T221 WeakPolarHBondContact O-CB 3.39Å; S218-T221 PolarHBondContact O-N 3.05Å; S218-V222 PolarHBondContact O-N 2.88Å; S218-V222 VanDerWaalsContact O-N 3.08Å; S218-T475 VanDerWaalsContact OG-CA 3.28Å; S218-T475 WeakPolarHBondContact OG-CA 3.25Å; S218-T475 WeakPolarHBondContact OG-CB 3.35Å; S218-T475 WeakPolarHBondContact OG-CG2 3.5Å
219	L	86.6	Confident	82.7	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-47.1	176.3	-180	61.9	0	0	0	110.6	I215 I216 T221 V222 L223 L246 L250 I315 F354	I215-L219 WeakPolarHBondContact O-CB 3.21Å; I215-L219 PolarHBondContact O-N 3.03Å; I216-L219 PolarHBondContact O-N 2.63Å; L219-T221 VanDerWaalsContact C-N 3.26Å; L219-T221 PolarHBondContact O-N 2.9Å; L219-V222 PolarHBondContact O-N 3.02Å; L219-L223 HydrophobicContact CD1-CD1 4.38Å; L219-L223 HydrophobicContact CD1-CD2 4.44Å; L219-L223 HydrophobicContact CD1-CG 4.16Å; L219-L223 HydrophobicContact CG-CD1 3.96Å; L219-L223 HydrophobicContact CG-CG 4.2Å; L219-L223 VanDerWaalsContact O-CG 3.28Å; L219-L223 WeakPolarHBondContact O-CG 3.4Å; L219-L223 PolarHBondContact O-N 2.83Å; L219-L246 HydrophobicContact CD2-CD2 3.77Å; L219-L250 HydrophobicContact CD2-CD2 4.38Å; L219-I315 HydrophobicContact CD1-CD1 4.1Å; L219-F354 HydrophobicContact CB-CZ 4.4Å
220	I	88	Confident	81.6	Confident	33 Å²	33	49.2 Å²	49.2	17%	0.169	27%	0.274	C	S	.	.	H	α-helix	trans	-53.7	-45.1	175	-68.8	168	0	0	0	110.8	I216 V222 L223 Q224 V249	I216-I220 HydrophobicContact CG2-CD1 3.81Å; I216-I220 HydrophobicContact CG2-CG1 4.46Å; I216-I220 VanDerWaalsContact O-CG1 3.31Å; I216-I220 WeakPolarHBondContact O-CG1 3.27Å; I216-I220 PolarHBondContact O-N 3.07Å; I220-V222 VanDerWaalsContact C-N 3.32Å; I220-V222 PolarHBondContact O-N 3.39Å; I220-L223 PolarHBondContact O-N 2.88Å; I220-Q224 HydrophobicContact CG2-CG 4.37Å; I220-Q224 WeakPolarHBondContact O-CB 3.38Å; I220-Q224 VanDerWaalsContact O-CG 3.28Å; I220-Q224 WeakPolarHBondContact O-CG 3.34Å; I220-Q224 PolarHBondContact O-N 3.23Å; I220-V249 HydrophobicContact CD1-CG1 4.05Å; I220-V249 HydrophobicContact CG1-CG1 3.49Å; I220-V249 VanDerWaalsContact CG1-CG1 3.49Å
221	T	84.6	Confident	80.9	Confident	28 Å²	28	46.2 Å²	46.2	17%	0.172	26%	0.255	C	S	.	.	H	α-helix	trans	-60.8	-40.7	178.5	-57	0	0	0	0	112	N217 S218 L219 K225 P476	N217-T221 PolarHBondContact O-N 3.04Å; N217-T221 PolarHBondContact O-OG1 3.11Å; S218-T221 WeakPolarHBondContact O-CB 3.39Å; S218-T221 PolarHBondContact O-N 3.05Å; L219-T221 VanDerWaalsContact C-N 3.26Å; L219-T221 PolarHBondContact O-N 2.9Å; T221-K225 HydrophobicContact CG2-CD 4.47Å; T221-K225 WeakPolarHBondContact O-CG 3.43Å; T221-K225 PolarHBondContact O-N 3.08Å; T221-P476 HydrophobicContact CG2-CB 4.3Å
222	V	81.2	Confident	80.4	Confident	25 Å²	25	46.3 Å²	46.3	15%	0.152	26%	0.256	C	S	.	.	H	α-helix	trans	-69.7	-44.2	177	170.4	0	0	0	0	111.4	S218 L219 I220 Q224 K225 N226 I315 F354 P476	S218-V222 PolarHBondContact O-N 2.88Å; S218-V222 VanDerWaalsContact O-N 3.08Å; L219-V222 PolarHBondContact O-N 3.02Å; I220-V222 VanDerWaalsContact C-N 3.32Å; I220-V222 PolarHBondContact O-N 3.39Å; V222-Q224 VanDerWaalsContact C-N 3.28Å; V222-Q224 PolarHBondContact O-N 3.28Å; V222-K225 PolarHBondContact O-N 3.21Å; V222-N226 WeakPolarHBondContact O-CB 3.44Å; V222-N226 PolarHBondContact O-N 2.82Å; V222-I315 HydrophobicContact CG1-CD1 4.15Å; V222-F354 HydrophobicContact CG2-CE2 3.83Å; V222-P476 HydrophobicContact CG2-CG 4.23Å
223	L	81.8	Confident	80.4	Confident	15 Å²	15	46 Å²	46	8%	0.079	25%	0.254	C	S	.	.	H	α-helix	trans	-59.7	-38	176.9	-66.8	175.4	0	0	0	111.8	L219 I220 F231 L250 H253 V254	L219-L223 HydrophobicContact CD1-CD1 4.38Å; L219-L223 HydrophobicContact CD1-CD2 4.44Å; L219-L223 HydrophobicContact CD1-CG 4.16Å; L219-L223 HydrophobicContact CG-CD1 3.96Å; L219-L223 HydrophobicContact CG-CG 4.2Å; L219-L223 VanDerWaalsContact O-CG 3.28Å; L219-L223 WeakPolarHBondContact O-CG 3.4Å; L219-L223 PolarHBondContact O-N 2.83Å; I220-L223 PolarHBondContact O-N 2.88Å; L223-F231 HydrophobicContact CD2-CB 4.16Å; L223-F231 HydrophobicContact CD2-CD1 3.57Å; L223-F231 HydrophobicContact CD2-CD2 3.67Å; L223-F231 HydrophobicContact CD2-CE1 3.74Å; L223-F231 HydrophobicContact CD2-CE2 3.81Å; L223-F231 HydrophobicContact CD2-CG 3.52Å; L223-F231 HydrophobicContact CD2-CZ 3.83Å; L223-L250 HydrophobicContact CD1-CD2 4.1Å; L223-L250 HydrophobicContact CD2-CD2 4.35Å; L223-H253 HydrophobicContact CD1-CB 3.98Å; L223-V254 HydrophobicContact CD1-CG2 4.16Å; L223-V254 HydrophobicContact CD2-CG2 3.72Å; L223-V254 HydrophobicContact CG-CG2 4.43Å
224	Q	81	Confident	80.5	Confident	136 Å²	136	43.1 Å²	43.1	64%	0.636	24%	0.236	S	C	*	.	H	α-helix	trans	-70.2	-30.9	177.6	-74.3	173.5	-11.1	0	0	113.7	I220 V222	I220-Q224 HydrophobicContact CG2-CG 4.37Å; I220-Q224 WeakPolarHBondContact O-CB 3.38Å; I220-Q224 VanDerWaalsContact O-CG 3.28Å; I220-Q224 WeakPolarHBondContact O-CG 3.34Å; I220-Q224 PolarHBondContact O-N 3.23Å; V222-Q224 VanDerWaalsContact C-N 3.28Å; V222-Q224 PolarHBondContact O-N 3.28Å
225	K	77.2	Confident	80.7	Confident	151 Å²	151	40.9 Å²	40.9	66%	0.657	23%	0.226	S	C	*	.	H	α-helix	trans	-84	-29.2	-178.7	-74.1	178.7	-177.9	178.4	0	113.2	T221 V222	T221-K225 HydrophobicContact CG2-CD 4.47Å; T221-K225 WeakPolarHBondContact O-CG 3.43Å; T221-K225 PolarHBondContact O-N 3.08Å; V222-K225 PolarHBondContact O-N 3.21Å
226	N	69.5	Low	81	Confident	72 Å²	72	41 Å²	41	39%	0.385	23%	0.227	S	C	.	.			trans	-106.8	104	-174.1	-75.5	-39.3	0	0	0	109.2	V222 T228 F231	V222-N226 WeakPolarHBondContact O-CB 3.44Å; V222-N226 PolarHBondContact O-N 2.82Å; N226-T228 PolarHBondContact O-N 2.84Å; N226-F231 HydrophobicContact CB-CE1 4.27Å; N226-F231 HydrophobicContact CB-CZ 3.57Å; N226-F231 WeakPolarHBondContact O-CE2 3.16Å; N226-F231 WeakPolarHBondContact O-CZ 3.49Å
227	S	61.9	Low	81.2	Confident	126 Å²	126	39.9 Å²	39.9	88%	0.881	22%	0.221	S	C	*	.			trans	-77.1	31.7	178.5	-50.6	0	0	0	0	113.5
228	T	62.5	Low	81.5	Confident	38 Å²	38	36.2 Å²	36.2	23%	0.233	20%	0.202	C	C	.	.			trans	-73.9	140.2	179.5	49.1	0	0	0	0	110.8	N226 L230 F231	N226-T228 PolarHBondContact O-N 2.84Å; T228-L230 VanDerWaalsContact C-N 3.27Å; T228-L230 PolarHBondContact O-N 3.31Å; T228-F231 WeakPolarHBondContact OG1-CE2 3.34Å; T228-F231 WeakPolarHBondContact OG1-CZ 3.41Å
229	S	58.5	Low	81.8	Confident	86 Å²	86	36.2 Å²	36.2	60%	0.601	20%	0.202	S	C	*	.	S	Bend	trans	-73.6	-16.2	-177.5	53.6	0	0	0	0	113.8
230	L	68	Low	82.1	Confident	32 Å²	32	36.2 Å²	36.2	17%	0.168	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	115.1	-179.7	-170.8	68.7	0	0	0	111.8	T228 K256 T313	T228-L230 VanDerWaalsContact C-N 3.27Å; T228-L230 PolarHBondContact O-N 3.31Å; L230-K256 HydrophobicContact CD1-CB 4.34Å; L230-T313 PolarHBondContact O-N 2.93Å
231	F	75.6	Confident	82.2	Confident	4 Å²	4	35 Å²	35	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121.3	170.9	-82.1	-85.2	0	0	0	110.5	L223 N226 T228 V254 S257 Q258 T313 I315	L223-F231 HydrophobicContact CD2-CB 4.16Å; L223-F231 HydrophobicContact CD2-CD1 3.57Å; L223-F231 HydrophobicContact CD2-CD2 3.67Å; L223-F231 HydrophobicContact CD2-CE1 3.74Å; L223-F231 HydrophobicContact CD2-CE2 3.81Å; L223-F231 HydrophobicContact CD2-CG 3.52Å; L223-F231 HydrophobicContact CD2-CZ 3.83Å; N226-F231 HydrophobicContact CB-CE1 4.27Å; N226-F231 HydrophobicContact CB-CZ 3.57Å; N226-F231 WeakPolarHBondContact O-CE2 3.16Å; N226-F231 WeakPolarHBondContact O-CZ 3.49Å; T228-F231 WeakPolarHBondContact OG1-CE2 3.34Å; T228-F231 WeakPolarHBondContact OG1-CZ 3.41Å; F231-V254 HydrophobicContact CD2-CG1 4.04Å; F231-V254 HydrophobicContact CD2-CG2 4.1Å; F231-S257 VanDerWaalsContact O-CA 3.22Å; F231-S257 WeakPolarHBondContact O-CA 3.17Å; F231-S257 WeakPolarHBondContact O-CB 3.48Å; F231-Q258 PolarHBondContact O-N 3.29Å; F231-T313 HydrophobicContact CE1-CG2 4.45Å; F231-I315 HydrophobicContact CD1-CD1 4.16Å; F231-I315 HydrophobicContact CE1-CD1 4.33Å
232	N	81.9	Confident	82.6	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.016	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131	173.2	-57.7	-48.9	0	0	0	108.9	Q258 I303 T313 L314 I315	N232-Q258 WeakPolarHBondContact CA-O 3.48Å; N232-Q258 VanDerWaalsContact OD1-CB 3.26Å; N232-Q258 WeakPolarHBondContact OD1-CB 3.49Å; N232-I303 HydrophobicContact CB-CD1 4.32Å; N232-I303 WeakPolarHBondContact ND2-CD1 3.4Å; N232-I303 WeakPolarHBondContact ND2-CG1 3.39Å; N232-T313 PolarHBondContact N-O 2.75Å; N232-L314 HydrophobicContact CB-CD1 3.83Å; N232-L314 WeakPolarHBondContact O-CA 3.45Å; N232-I315 PolarHBondContact O-N 3.24Å
233	V	90	Very high	83.2	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.3	177.9	179.2	0	0	0	0	108.1	V235 L246 L250 Q258 L259 I260 I315 I317	V233-V235 HydrophobicContact CG1-CG2 4.31Å; V233-L246 HydrophobicContact CG1-CD1 4.17Å; V233-L250 HydrophobicContact CB-CD1 4.18Å; V233-L250 HydrophobicContact CG2-CD1 3.84Å; V233-L250 HydrophobicContact CG2-CD2 3.98Å; V233-L250 HydrophobicContact CG2-CG 4.48Å; V233-Q258 PolarHBondContact N-O 2.8Å; V233-L259 HydrophobicContact CB-CD1 3.67Å; V233-L259 HydrophobicContact CG1-CD1 3.59Å; V233-L259 WeakPolarHBondContact O-CA 3.47Å; V233-I260 PolarHBondContact O-N 3Å; V233-I315 WeakPolarHBondContact CA-O 3.45Å; V233-I317 HydrophobicContact CG1-CD1 3.9Å; V233-I317 HydrophobicContact CG1-CG1 4.39Å
234	L	93.3	Very high	83.5	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	118.3	170.9	175	63.3	0	0	0	108.3	V236 I260 L262 V295 M299 L314 I315 L316 I317 L341	L234-V236 HydrophobicContact CD1-CG2 4.38Å; L234-V236 HydrophobicContact CD2-CG2 3.99Å; L234-V236 HydrophobicContact CG-CG2 3.83Å; L234-I260 CarbonylContact C-O 3.54Å; L234-I260 WeakPolarHBondContact CA-O 3.41Å; L234-I260 HydrophobicContact CD1-CB 3.9Å; L234-I260 HydrophobicContact CD1-CG2 3.63Å; L234-L262 HydrophobicContact CD1-CB 4.2Å; L234-V295 HydrophobicContact CD1-CG1 4.19Å; L234-V295 HydrophobicContact CD1-CG2 4.14Å; L234-V295 HydrophobicContact CD2-CG1 4.12Å; L234-M299 HydrophobicContact CB-CE 4.1Å; L234-M299 HydrophobicContact CD1-CE 4.48Å; L234-M299 HydrophobicContact CD2-CE 4.18Å; L234-M299 HydrophobicContact CG-CE 4.49Å; L234-L314 HydrophobicContact CB-CD1 4.2Å; L234-I315 PolarHBondContact N-O 2.9Å; L234-L316 HydrophobicContact CD2-CD1 3.98Å; L234-L316 HydrophobicContact CD2-CG 4.38Å; L234-L316 CarbonylContact O-C 3.42Å; L234-L316 WeakPolarHBondContact O-CA 3.05Å; L234-I317 PolarHBondContact O-N 2.94Å; L234-L341 HydrophobicContact CD2-CD1 3.46Å; L234-L341 VanDerWaalsContact CD2-CD1 3.46Å
235	V	95.8	Very high	83.9	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.3	170	-177.6	0	0	0	0	108.7	V233 T240 P243 L246 L259 I260 L262 I317	V233-V235 HydrophobicContact CG1-CG2 4.31Å; V235-T240 HydrophobicContact CG1-CG2 4.48Å; V235-P243 HydrophobicContact CB-CG 3.93Å; V235-P243 HydrophobicContact CG1-CG 3.88Å; V235-P243 HydrophobicContact CG2-CB 4.37Å; V235-P243 HydrophobicContact CG2-CG 4.04Å; V235-L246 HydrophobicContact CG2-CD1 3.64Å; V235-L259 HydrophobicContact CG2-CD1 3.99Å; V235-I260 PolarHBondContact N-O 3.14Å; V235-L262 PolarHBondContact O-N 2.96Å; V235-I317 CarbonylContact C-O 3.6Å; V235-I317 VanDerWaalsContact CA-O 3.23Å; V235-I317 WeakPolarHBondContact CA-O 3.38Å
236	V	95.7	Very high	84.5	Confident	3 Å²	3	19.8 Å²	19.8	2%	0.018	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	98.2	175.1	-172.5	0	0	0	0	109.3	L234 L262 L316 I317 S318 Y333 F334 A337	L234-V236 HydrophobicContact CD1-CG2 4.38Å; L234-V236 HydrophobicContact CD2-CG2 3.99Å; L234-V236 HydrophobicContact CG-CG2 3.83Å; V236-L262 HydrophobicContact CG1-CB 4.37Å; V236-L262 HydrophobicContact CG1-CD2 3.89Å; V236-L262 HydrophobicContact CG1-CG 4.21Å; V236-L262 HydrophobicContact CG2-CB 4.2Å; V236-L262 HydrophobicContact CG2-CD2 4.14Å; V236-L316 HydrophobicContact CB-CD2 4.49Å; V236-L316 HydrophobicContact CG2-CD1 3.85Å; V236-L316 HydrophobicContact CG2-CD2 4.12Å; V236-L316 HydrophobicContact CG2-CG 3.96Å; V236-I317 PolarHBondContact N-O 2.92Å; V236-S318 WeakPolarHBondContact O-CA 3.44Å; V236-S318 VanDerWaalsContact O-CB 3.25Å; V236-S318 WeakPolarHBondContact O-CB 3.4Å; V236-S318 PolarHBondContact O-OG 2.86Å; V236-Y333 HydrophobicContact CG1-CD1 3.83Å; V236-Y333 HydrophobicContact CG1-CE1 3.85Å; V236-F334 HydrophobicContact CB-CB 3.87Å; V236-F334 HydrophobicContact CG1-CB 3.83Å; V236-A337 HydrophobicContact CG1-CB 4.26Å; V236-A337 HydrophobicContact CG2-CB 4.38Å
237	S	96	Very high	85.5	Confident	5 Å²	5	16.3 Å²	16.3	4%	0.035	11%	0.105	C	C	.	.			trans	-172.7	141.6	176.1	-176.8	0	0	0	0	109.5	H261 L262 E319 Y321	S237-H261 PolarHBondContact O-NE2 3.42Å; S237-L262 PolarHBondContact N-O 3.46Å; S237-E319 VanDerWaalsContact CB-O 3.24Å; S237-E319 WeakPolarHBondContact CB-O 3.34Å; S237-E319 WeakPolarHBondContact OG-CB 3.37Å; S237-E319 PolarHBondContact OG-O 3.01Å; S237-Y321 WeakPolarHBondContact CA-O 2.97Å; S237-Y321 PolarHBondContact OG-O 2.95Å
238	D	95.6	Very high	86.6	Confident	2 Å²	2	13 Å²	13	1%	0.011	7%	0.074	C	C	.	.	S	Bend	trans	-80.7	158.2	173.2	-65.5	5.1	0	0	0	111.2	T240 D263 T264 Y321 I322 S323	D238-T240 VanDerWaalsContact C-N 3.33Å; D238-T240 PolarHBondContact O-N 3.24Å; D238-D263 WeakPolarHBondContact CA-OD1 3.32Å; D238-D263 WeakPolarHBondContact CB-OD1 3.09Å; D238-T264 VanDerWaalsContact CG-OG1 3.28Å; D238-T264 PolarHBondContact OD1-N 3.07Å; D238-T264 PolarHBondContact OD1-OG1 3.08Å; D238-T264 PolarHBondContact OD2-OG1 2.85Å; D238-Y321 HydrophobicContact CB-CD1 4.4Å; D238-Y321 HydrophobicContact CB-CE1 4.46Å; D238-Y321 PolarHBondContact N-O 3.12Å; D238-Y321 VanDerWaalsContact N-O 3.13Å; D238-Y321 VanDerWaalsContact O-CD1 3.27Å; D238-Y321 WeakPolarHBondContact O-CD1 3.2Å; D238-I322 VanDerWaalsContact OD2-CG1 3.25Å; D238-I322 WeakPolarHBondContact OD2-CG1 3.2Å; D238-S323 VanDerWaalsContact OD2-CB 3.26Å; D238-S323 WeakPolarHBondContact OD2-CB 3.36Å; D238-S323 PolarHBondContact OD2-N 3.09Å; D238-S323 PolarHBondContact OD2-OG 3.27Å
239	C	94	Very high	87.8	Confident	0 Å²	0	12 Å²	12	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	50.4	50.9	165.1	-55.3	0	0	0	0	112.8	W195 R199 D263 S268 Y321	W195-C239 HydrophobicContact CD2-CB 3.97Å; W195-C239 VanDerWaalsContact CE2-CA 3.48Å; W195-C239 HydrophobicContact CG-CB 3.94Å; W195-C239 VanDerWaalsContact CZ2-C 3.41Å; W195-C239 HydrophobicContact CZ2-CB 4.27Å; R199-C239 HydrophobicContact CG-CB 4.21Å; R199-C239 PolarHBondContact NE-O 2.87Å; R199-C239 PolarHBondContact NH2-O 3.49Å; R199-C239 VanDerWaalsContact NH2-O 3.12Å; C239-D263 PolarHBondContact N-OD2 3.42Å; C239-S268 WeakPolarHBondContact CA-OG 3.48Å; C239-S268 PolarHBondContact N-OG 3.34Å; C239-Y321 HydrophobicContact CB-CD1 4.49Å; C239-Y321 HydrophobicContact CB-CE1 3.9Å
240	T	93.1	Very high	89.2	Confident	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.039	C	C	.	.			trans	-130.5	150.1	-179.1	179	0	0	0	0	112	Y208 V235 D238 L242 P243 E319	Y208-T240 PolarHBondContact OH-OG1 2.86Å; V235-T240 HydrophobicContact CG1-CG2 4.48Å; D238-T240 VanDerWaalsContact C-N 3.33Å; D238-T240 PolarHBondContact O-N 3.24Å; T240-L242 WeakPolarHBondContact OG1-CB 3.46Å; T240-L242 PolarHBondContact OG1-N 2.7Å; T240-P243 HydrophobicContact CG2-CG 4.4Å; T240-E319 WeakPolarHBondContact CB-OE1 3.34Å; T240-E319 WeakPolarHBondContact CB-OE2 3.17Å; T240-E319 PolarHBondContact OG1-OE1 2.97Å; T240-E319 PolarHBondContact OG1-OE2 2.81Å
241	Y	90.1	Very high	90	Very high	8 Å²	8	8.3 Å²	8.3	3%	0.031	5%	0.048	C	C	.	.			trans	-100.8	1.9	168.5	64	-105.6	0	0	0	113.2	I10 F13 L203 Y208 F244 L245	I10-Y241 HydrophobicContact CD1-CD1 3.49Å; I10-Y241 VanDerWaalsContact CD1-CD1 3.49Å; I10-Y241 HydrophobicContact CD1-CD2 3.91Å; I10-Y241 HydrophobicContact CD1-CE1 2.98Å; I10-Y241 HydrophobicContact CD1-CE2 3.49Å; I10-Y241 VanDerWaalsContact CD1-CE2 3.49Å; I10-Y241 HydrophobicContact CD1-CG 3.91Å; I10-Y241 WeakPolarHBondContact CD1-OH 3.34Å; I10-Y241 HydrophobicContact CG1-CE1 4.38Å; I10-Y241 HydrophobicContact CG1-CE2 4.45Å; F13-Y241 HydrophobicContact CD2-CG 4.5Å; L203-Y241 HydrophobicContact CB-CD1 4.46Å; L203-Y241 HydrophobicContact CB-CE1 3.81Å; L203-Y241 HydrophobicContact CD1-CD1 4.22Å; L203-Y241 HydrophobicContact CD1-CE1 4.34Å; L203-Y241 HydrophobicContact CD2-CD1 4.04Å; L203-Y241 HydrophobicContact CD2-CE1 3.68Å; L203-Y241 HydrophobicContact CG-CD1 4.48Å; L203-Y241 HydrophobicContact CG-CE1 4.14Å; L203-Y241 PolarHBondContact O-OH 3.38Å; L203-Y241 VanDerWaalsContact O-OH 3.1Å; Y208-Y241 HydrophobicContact CD1-CE1 4.32Å; Y208-Y241 HydrophobicContact CD1-CE2 4.38Å; Y208-Y241 AromaticContact CD1-CZ 3.65Å; Y208-Y241 WeakPolarHBondContact CD1-OH 3.42Å; Y208-Y241 AromaticContact CE1-CE1 3.82Å; Y208-Y241 HydrophobicContact CE1-CE1 3.82Å; Y208-Y241 AromaticContact CE1-CE2 3.53Å; Y208-Y241 HydrophobicContact CE1-CE2 3.53Å; Y208-Y241 AromaticContact CE1-CZ 3.12Å; Y208-Y241 WeakPolarHBondContact CE1-OH 3.28Å; Y208-Y241 AromaticContact CZ-CZ 4Å; Y241-F244 VanDerWaalsContact O-CB 3.28Å; Y241-F244 WeakPolarHBondContact O-CB 3.42Å; Y241-F244 PolarHBondContact O-N 2.84Å; Y241-F244 VanDerWaalsContact O-N 3.07Å; Y241-L245 HydrophobicContact CD2-CD1 3.97Å; Y241-L245 HydrophobicContact CD2-CG 4Å; Y241-L245 HydrophobicContact CE2-CD1 3.6Å; Y241-L245 HydrophobicContact CE2-CG 4.13Å; Y241-L245 PolarHBondContact O-N 3.22Å
242	L	92.5	Very high	90.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-55.9	-39.4	179.9	178.1	66.2	0	0	0	114.2	F211 I215 T240 F244 L245 L246 I317 E319	F211-L242 HydrophobicContact CE1-CD2 4.43Å; F211-L242 HydrophobicContact CZ-CD2 4.32Å; I215-L242 HydrophobicContact CG2-CD1 4.33Å; T240-L242 WeakPolarHBondContact OG1-CB 3.46Å; T240-L242 PolarHBondContact OG1-N 2.7Å; L242-F244 PolarHBondContact O-N 2.68Å; L242-L245 PolarHBondContact O-N 3.04Å; L242-L246 HydrophobicContact CD1-CD1 4.23Å; L242-L246 HydrophobicContact CD1-CD2 4.15Å; L242-L246 HydrophobicContact CD1-CG 3.93Å; L242-L246 HydrophobicContact CD2-CD1 4.27Å; L242-L246 HydrophobicContact CG-CD1 3.82Å; L242-L246 HydrophobicContact CG-CG 3.99Å; L242-L246 WeakPolarHBondContact O-CG 3.35Å; L242-L246 PolarHBondContact O-N 2.97Å; L242-I317 HydrophobicContact CD2-CG2 3.94Å; L242-E319 WeakPolarHBondContact CB-OE1 3.24Å; L242-E319 HydrophobicContact CD2-CG 4.13Å; L242-E319 WeakPolarHBondContact CD2-OE1 3.19Å
243	P	92.7	Very high	90.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-52.4	-42.8	174.6	-25.4	32.8	0	0	0	111.8	V235 T240 L245 L246 G247 L259 H261 Y276 I286	V235-P243 HydrophobicContact CB-CG 3.93Å; V235-P243 HydrophobicContact CG1-CG 3.88Å; V235-P243 HydrophobicContact CG2-CB 4.37Å; V235-P243 HydrophobicContact CG2-CG 4.04Å; T240-P243 HydrophobicContact CG2-CG 4.4Å; P243-L245 PolarHBondContact O-N 2.74Å; P243-L246 PolarHBondContact O-N 3.14Å; P243-G247 PolarHBondContact O-N 2.99Å; P243-L259 HydrophobicContact CB-CD2 4.06Å; P243-L259 WeakPolarHBondContact O-CD2 3.27Å; P243-H261 HydrophobicContact CB-CB 4.21Å; P243-H261 HydrophobicContact CG-CB 3.89Å; P243-H261 VanDerWaalsContact CG-CG 3.48Å; P243-Y276 WeakPolarHBondContact CG-OH 3.06Å; P243-I286 HydrophobicContact CB-CD1 4.46Å; P243-I286 HydrophobicContact CB-CG2 4.02Å
244	F	88.5	Confident	89.8	Confident	7 Å²	7	21.2 Å²	21.2	3%	0.031	11%	0.106	C	C	.	.	H	α-helix	trans	-59.8	-44.5	177.1	175.9	-85	0	0	0	112.5	E12 Y241 L242 G247 K248 Y276 Y279 I286	E12-F244 HydrophobicContact CB-CD1 4.34Å; E12-F244 HydrophobicContact CB-CE1 3.3Å; E12-F244 HydrophobicContact CB-CZ 3.62Å; E12-F244 HydrophobicContact CG-CE1 3.87Å; E12-F244 HydrophobicContact CG-CZ 4.29Å; Y241-F244 VanDerWaalsContact O-CB 3.28Å; Y241-F244 WeakPolarHBondContact O-CB 3.42Å; Y241-F244 PolarHBondContact O-N 2.84Å; Y241-F244 VanDerWaalsContact O-N 3.07Å; L242-F244 PolarHBondContact O-N 2.68Å; F244-G247 PolarHBondContact O-N 2.95Å; F244-K248 HydrophobicContact CE1-CD 4.22Å; F244-K248 HydrophobicContact CE1-CG 4.42Å; F244-K248 VanDerWaalsContact O-CG 3.29Å; F244-K248 WeakPolarHBondContact O-CG 3.21Å; F244-K248 PolarHBondContact O-N 3.2Å; F244-Y276 HydrophobicContact CB-CE1 4.32Å; F244-Y279 AromaticContact CD2-CD1 3.95Å; F244-Y279 HydrophobicContact CD2-CD1 3.95Å; F244-Y279 HydrophobicContact CD2-CD2 4.05Å; F244-Y279 HydrophobicContact CD2-CE1 4.49Å; F244-Y279 AromaticContact CD2-CG 3.71Å; F244-Y279 HydrophobicContact CD2-CG 3.71Å; F244-Y279 AromaticContact CE2-CD1 3.91Å; F244-Y279 HydrophobicContact CE2-CD1 3.91Å; F244-Y279 AromaticContact CE2-CD2 3.16Å; F244-Y279 HydrophobicContact CE2-CD2 3.16Å; F244-Y279 HydrophobicContact CE2-CE1 4.41Å; F244-Y279 AromaticContact CE2-CE2 3.77Å; F244-Y279 HydrophobicContact CE2-CE2 3.77Å; F244-Y279 AromaticContact CE2-CG 3.26Å; F244-Y279 HydrophobicContact CE2-CG 3.26Å; F244-Y279 AromaticContact CZ-CD2 3.64Å; F244-Y279 HydrophobicContact CZ-CD2 3.64Å; F244-Y279 AromaticContact CZ-CE2 3.85Å; F244-Y279 HydrophobicContact CZ-CE2 3.85Å; F244-Y279 HydrophobicContact CZ-CG 4.18Å; F244-I286 HydrophobicContact CB-CD1 4.44Å
245	L	89.3	Confident	88.8	Confident	28 Å²	28	30.7 Å²	30.7	15%	0.147	15%	0.151	C	C	.	.	H	α-helix	trans	-64.8	-41.9	176.9	-64.6	-175.7	0	0	0	112.4	I216 Y241 L242 P243 K248 V249	I216-L245 HydrophobicContact CD1-CB 3.92Å; I216-L245 HydrophobicContact CD1-CD1 4.11Å; Y241-L245 HydrophobicContact CD2-CD1 3.97Å; Y241-L245 HydrophobicContact CD2-CG 4Å; Y241-L245 HydrophobicContact CE2-CD1 3.6Å; Y241-L245 HydrophobicContact CE2-CG 4.13Å; Y241-L245 PolarHBondContact O-N 3.22Å; L242-L245 PolarHBondContact O-N 3.04Å; P243-L245 PolarHBondContact O-N 2.74Å; L245-K248 WeakPolarHBondContact O-CB 3.23Å; L245-K248 PolarHBondContact O-N 3.12Å; L245-V249 WeakPolarHBondContact O-CG2 3.12Å; L245-V249 PolarHBondContact O-N 2.68Å
246	L	91.1	Very high	87.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.8	-40.8	178.6	-63.2	178	0	0	0	111.4	I215 I216 L219 V233 V235 L242 P243 K248 V249 L250 L259 I317	I215-L246 HydrophobicContact CG2-CD2 3.99Å; I216-L246 HydrophobicContact CG1-CD2 4.17Å; L219-L246 HydrophobicContact CD2-CD2 3.77Å; V233-L246 HydrophobicContact CG1-CD1 4.17Å; V235-L246 HydrophobicContact CG2-CD1 3.64Å; L242-L246 HydrophobicContact CD1-CD1 4.23Å; L242-L246 HydrophobicContact CD1-CD2 4.15Å; L242-L246 HydrophobicContact CD1-CG 3.93Å; L242-L246 HydrophobicContact CD2-CD1 4.27Å; L242-L246 HydrophobicContact CG-CD1 3.82Å; L242-L246 HydrophobicContact CG-CG 3.99Å; L242-L246 WeakPolarHBondContact O-CG 3.35Å; L242-L246 PolarHBondContact O-N 2.97Å; P243-L246 PolarHBondContact O-N 3.14Å; L246-K248 VanDerWaalsContact C-N 3.27Å; L246-K248 PolarHBondContact O-N 2.96Å; L246-V249 WeakPolarHBondContact O-CB 3.35Å; L246-V249 PolarHBondContact O-N 3.2Å; L246-L250 WeakPolarHBondContact O-CG 3.4Å; L246-L250 PolarHBondContact O-N 3.12Å; L246-L259 HydrophobicContact CB-CD1 4.49Å; L246-I317 HydrophobicContact CD1-CD1 3.79Å; L246-I317 HydrophobicContact CD2-CD1 4.42Å
247	G	88.7	Confident	86.9	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.1	-39	176.3	0	0	0	0	0	112.5	P243 F244 V249 A251 S284	P243-G247 PolarHBondContact O-N 2.99Å; F244-G247 PolarHBondContact O-N 2.95Å; G247-V249 VanDerWaalsContact C-N 3.34Å; G247-V249 PolarHBondContact O-N 2.8Å; G247-A251 WeakPolarHBondContact O-CB 3.43Å; G247-A251 PolarHBondContact O-N 2.98Å; G247-S284 WeakPolarHBondContact O-CB 3.4Å; G247-S284 PolarHBondContact O-OG 3.1Å
248	K	85.7	Confident	86.2	Confident	57 Å²	57	39.3 Å²	39.3	25%	0.248	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-40.6	173.2	-54.3	-137.6	158.2	164.7	0	112.8	E12 F244 L245 L246 K252 Y279	E12-K248 VanDerWaalsContact CG-NZ 3.26Å; F244-K248 HydrophobicContact CE1-CD 4.22Å; F244-K248 HydrophobicContact CE1-CG 4.42Å; F244-K248 VanDerWaalsContact O-CG 3.29Å; F244-K248 WeakPolarHBondContact O-CG 3.21Å; F244-K248 PolarHBondContact O-N 3.2Å; L245-K248 WeakPolarHBondContact O-CB 3.23Å; L245-K248 PolarHBondContact O-N 3.12Å; L246-K248 VanDerWaalsContact C-N 3.27Å; L246-K248 PolarHBondContact O-N 2.96Å; K248-K252 WeakPolarHBondContact O-CG 3.31Å; K248-Y279 HydrophobicContact CD-CE2 4.34Å; K248-Y279 HydrophobicContact CG-CE2 4.42Å; K248-Y279 VanDerWaalsContact CG-OH 3.24Å; K248-Y279 WeakPolarHBondContact CG-OH 3.3Å
249	V	88.5	Confident	86	Confident	15 Å²	15	39.3 Å²	39.3	9%	0.091	19%	0.191	C	C	.	.	H	α-helix	trans	-72.8	-44.1	-176.5	173.6	0	0	0	0	109.6	I216 I220 L245 L246 G247 K252 H253	I216-V249 HydrophobicContact CB-CG2 4.45Å; I216-V249 HydrophobicContact CG1-CG2 4.22Å; I216-V249 HydrophobicContact CG2-CG1 4.45Å; I216-V249 HydrophobicContact CG2-CG2 3.53Å; I220-V249 HydrophobicContact CD1-CG1 4.05Å; I220-V249 HydrophobicContact CG1-CG1 3.49Å; I220-V249 VanDerWaalsContact CG1-CG1 3.49Å; L245-V249 WeakPolarHBondContact O-CG2 3.12Å; L245-V249 PolarHBondContact O-N 2.68Å; L246-V249 WeakPolarHBondContact O-CB 3.35Å; L246-V249 PolarHBondContact O-N 3.2Å; G247-V249 VanDerWaalsContact C-N 3.34Å; G247-V249 PolarHBondContact O-N 2.8Å; V249-K252 PolarHBondContact O-N 2.87Å; V249-H253 PolarHBondContact O-N 3.28Å; V249-H253 PolarHBondContact O-ND1 3.18Å
250	L	87.3	Confident	85.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.9	-48.1	177.1	-69.4	167.8	0	0	0	111.4	L219 L223 V233 L246 K252 H253 V254 S257 L259	L219-L250 HydrophobicContact CD2-CD2 4.38Å; L223-L250 HydrophobicContact CD1-CD2 4.1Å; L223-L250 HydrophobicContact CD2-CD2 4.35Å; V233-L250 HydrophobicContact CB-CD1 4.18Å; V233-L250 HydrophobicContact CG2-CD1 3.84Å; V233-L250 HydrophobicContact CG2-CD2 3.98Å; V233-L250 HydrophobicContact CG2-CG 4.48Å; L246-L250 WeakPolarHBondContact O-CG 3.4Å; L246-L250 PolarHBondContact O-N 3.12Å; L250-K252 PolarHBondContact O-N 2.92Å; L250-H253 PolarHBondContact O-N 3.24Å; L250-V254 HydrophobicContact CD2-CG2 4.43Å; L250-V254 PolarHBondContact O-N 3.03Å; L250-S257 WeakPolarHBondContact CB-OG 3.2Å; L250-L259 HydrophobicContact CD1-CB 4.28Å; L250-L259 HydrophobicContact CD1-CD1 4.36Å
251	A	83.6	Confident	86.1	Confident	42 Å²	42	39.4 Å²	39.4	35%	0.347	19%	0.191	S	C	.	.	H	α-helix	trans	-54.9	-28.2	176.8	0	0	0	0	0	113.9	G247 S284	G247-A251 WeakPolarHBondContact O-CB 3.43Å; G247-A251 PolarHBondContact O-N 2.98Å; A251-S284 WeakPolarHBondContact CB-OG 2.99Å; A251-S284 PolarHBondContact N-OG 3.4Å
252	K	84.7	Confident	86.4	Confident	171 Å²	171	39 Å²	39	74%	0.743	19%	0.19	S	C	*	.	H	α-helix	trans	-87.8	-23.9	-178.3	-72.4	178.5	-177.4	-176.5	0	113.8	K248 V249 L250	K248-K252 WeakPolarHBondContact O-CG 3.31Å; V249-K252 PolarHBondContact O-N 2.87Å; L250-K252 PolarHBondContact O-N 2.92Å
253	H	83.1	Confident	86.5	Confident	85 Å²	85	39 Å²	39	39%	0.394	19%	0.19	S	C	.	.	H	α-helix	trans	-117.8	-16.4	-168.4	-65.1	88.8	0	0	0	113.7	L223 V249 L250	L223-H253 HydrophobicContact CD1-CB 3.98Å; V249-H253 PolarHBondContact O-N 3.28Å; V249-H253 PolarHBondContact O-ND1 3.18Å; L250-H253 PolarHBondContact O-N 3.24Å
254	V	77.6	Confident	86.6	Confident	23 Å²	23	40.8 Å²	40.8	14%	0.139	20%	0.201	C	C	.	.			trans	-133.1	136.9	-176.4	-162.6	0	0	0	0	109.3	L223 F231 L250 K256	L223-V254 HydrophobicContact CD1-CG2 4.16Å; L223-V254 HydrophobicContact CD2-CG2 3.72Å; L223-V254 HydrophobicContact CG-CG2 4.43Å; F231-V254 HydrophobicContact CD2-CG1 4.04Å; F231-V254 HydrophobicContact CD2-CG2 4.1Å; L250-V254 HydrophobicContact CD2-CG2 4.43Å; L250-V254 PolarHBondContact O-N 3.03Å; V254-K256 VanDerWaalsContact C-N 3.33Å; V254-K256 WeakPolarHBondContact CG1-O 3.31Å
255	E	70.6	Confident	86.9	Confident	199 Å²	199	41.2 Å²	41.2	93%	0.93	20%	0.204	S	C	*	.	S	Bend	trans	-67.8	-34.5	176.9	-66.5	-174.8	173.1	0	0	112.5
256	K	72.8	Confident	87.1	Confident	146 Å²	146	43.2 Å²	43.2	64%	0.635	22%	0.219	S	C	*	.	S	Bend	trans	-138.3	122.8	179.6	-66.9	-176.1	-178.4	177.1	0	110.6	L230 V254	L230-K256 HydrophobicContact CD1-CB 4.34Å; V254-K256 VanDerWaalsContact C-N 3.33Å; V254-K256 WeakPolarHBondContact CG1-O 3.31Å
257	S	78.7	Confident	87.2	Confident	28 Å²	28	46.4 Å²	46.4	20%	0.196	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	142.6	173.5	58.6	0	0	0	0	110.5	F231 L250	F231-S257 VanDerWaalsContact O-CA 3.22Å; F231-S257 WeakPolarHBondContact O-CA 3.17Å; F231-S257 WeakPolarHBondContact O-CB 3.48Å; L250-S257 WeakPolarHBondContact CB-OG 3.2Å
258	Q	82.5	Confident	87.4	Confident	15 Å²	15	46.4 Å²	46.4	7%	0.07	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.9	165.5	-162.2	179.2	15.7	0	0	108.4	F231 N232 V233 I260 E287 N302	F231-Q258 PolarHBondContact O-N 3.29Å; N232-Q258 WeakPolarHBondContact CA-O 3.48Å; N232-Q258 VanDerWaalsContact OD1-CB 3.26Å; N232-Q258 WeakPolarHBondContact OD1-CB 3.49Å; V233-Q258 PolarHBondContact N-O 2.8Å; Q258-I260 HydrophobicContact CG-CD1 4.42Å; Q258-I260 HydrophobicContact CG-CG1 4.17Å; Q258-E287 PolarHBondContact NE2-OE1 3.27Å; Q258-E287 PolarHBondContact NE2-OE2 2.61Å; Q258-N302 PolarHBondContact NE2-ND2 3.4Å
259	L	90.6	Very high	87.8	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	114.6	173.4	178	66.8	0	0	0	108.2	V233 V235 P243 L246 L250 I286 E287	V233-L259 HydrophobicContact CB-CD1 3.67Å; V233-L259 HydrophobicContact CG1-CD1 3.59Å; V233-L259 WeakPolarHBondContact O-CA 3.47Å; V235-L259 HydrophobicContact CG2-CD1 3.99Å; P243-L259 HydrophobicContact CB-CD2 4.06Å; P243-L259 WeakPolarHBondContact O-CD2 3.27Å; L246-L259 HydrophobicContact CB-CD1 4.49Å; L250-L259 HydrophobicContact CD1-CB 4.28Å; L250-L259 HydrophobicContact CD1-CD1 4.36Å; L259-I286 HydrophobicContact CD2-CB 4.46Å; L259-I286 HydrophobicContact CD2-CD1 3.97Å; L259-I286 HydrophobicContact CD2-CG1 3.79Å; L259-I286 HydrophobicContact CD2-CG2 4.14Å; L259-I286 HydrophobicContact CG-CG2 4.28Å; L259-I286 WeakPolarHBondContact O-CA 3.35Å; L259-E287 PolarHBondContact O-N 2.94Å
260	I	93.2	Very high	87.9	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.2	176.9	-62.9	169	0	0	0	107.9	V233 L234 V235 Q258 E287 C289 V295 R298 M299	V233-I260 PolarHBondContact O-N 3Å; L234-I260 CarbonylContact C-O 3.54Å; L234-I260 WeakPolarHBondContact CA-O 3.41Å; L234-I260 HydrophobicContact CD1-CB 3.9Å; L234-I260 HydrophobicContact CD1-CG2 3.63Å; V235-I260 PolarHBondContact N-O 3.14Å; Q258-I260 HydrophobicContact CG-CD1 4.42Å; Q258-I260 HydrophobicContact CG-CG1 4.17Å; I260-E287 CarbonylContact C-O 3.55Å; I260-E287 WeakPolarHBondContact CA-O 3.44Å; I260-E287 HydrophobicContact CG1-CB 4.41Å; I260-C289 HydrophobicContact CG2-CB 4.43Å; I260-C289 WeakPolarHBondContact CG2-SG 3.28Å; I260-V295 HydrophobicContact CG2-CG2 4.21Å; I260-R298 HydrophobicContact CD1-CB 4.34Å; I260-M299 HydrophobicContact CD1-CE 3.7Å; I260-M299 HydrophobicContact CD1-CG 3.62Å
261	H	95.5	Very high	88.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	112.2	174.5	-179.3	-156.7	0	0	0	109.7	S237 P243 D263 L272 Y276 I286 E287 S288 C289	S237-H261 PolarHBondContact O-NE2 3.42Å; P243-H261 HydrophobicContact CB-CB 4.21Å; P243-H261 HydrophobicContact CG-CB 3.89Å; P243-H261 VanDerWaalsContact CG-CG 3.48Å; H261-D263 IonicContact CE1-OD2 3.38Å; H261-L272 VanDerWaalsContact CE1-CD1 3.46Å; H261-L272 WeakPolarHBondContact CE1-CD1 3.11Å; H261-Y276 HydrophobicContact CB-CE2 4.46Å; H261-Y276 AromaticContact ND1-CE2 3.85Å; H261-Y276 AromaticContact ND1-CZ 3.85Å; H261-Y276 PolarHBondContact ND1-OH 3.34Å; H261-I286 HydrophobicContact CB-CG2 4.32Å; H261-E287 PolarHBondContact N-O 3.01Å; H261-S288 CarbonylContact O-C 3.55Å; H261-S288 WeakPolarHBondContact O-CA 3.4Å; H261-C289 PolarHBondContact O-N 2.93Å
262	L	96.3	Very high	88.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	102	169.4	178.5	58.2	0	0	0	109.2	L234 V235 V236 S237 C289 I292 V295 Y333 A337	L234-L262 HydrophobicContact CD1-CB 4.2Å; V235-L262 PolarHBondContact O-N 2.96Å; V236-L262 HydrophobicContact CG1-CB 4.37Å; V236-L262 HydrophobicContact CG1-CD2 3.89Å; V236-L262 HydrophobicContact CG1-CG 4.21Å; V236-L262 HydrophobicContact CG2-CB 4.2Å; V236-L262 HydrophobicContact CG2-CD2 4.14Å; S237-L262 PolarHBondContact N-O 3.46Å; L262-C289 WeakPolarHBondContact CA-O 3.17Å; L262-C289 HydrophobicContact CD1-CB 4.02Å; L262-I292 HydrophobicContact CD2-CD1 4.24Å; L262-V295 HydrophobicContact CB-CG2 4.27Å; L262-V295 HydrophobicContact CD1-CG2 4.29Å; L262-V295 HydrophobicContact CD2-CG2 4.32Å; L262-Y333 HydrophobicContact CD2-CE1 3.95Å; L262-Y333 HydrophobicContact CG-CE1 4.35Å; L262-A337 HydrophobicContact CD2-CB 4.21Å
263	D	96	Very high	88.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.			trans	-115.5	114.5	171.8	-173.9	-28.5	0	0	0	107.4	D238 C239 H261 S265 S268 C269 L272 C289 Q290	D238-D263 WeakPolarHBondContact CA-OD1 3.32Å; D238-D263 WeakPolarHBondContact CB-OD1 3.09Å; C239-D263 PolarHBondContact N-OD2 3.42Å; H261-D263 IonicContact CE1-OD2 3.38Å; D263-S265 PolarHBondContact O-N 3.41Å; D263-S265 WeakPolarHBondContact OD1-CA 3.37Å; D263-S265 VanDerWaalsContact OD1-CB 3.26Å; D263-S265 WeakPolarHBondContact OD1-CB 3.39Å; D263-S265 PolarHBondContact OD1-N 2.65Å; D263-S268 WeakPolarHBondContact OD2-CB 3.5Å; D263-S268 PolarHBondContact OD2-OG 3.07Å; D263-C269 PolarHBondContact O-SG 2.93Å; D263-L272 WeakPolarHBondContact OD2-CD1 3.44Å; D263-C289 PolarHBondContact N-O 3.36Å; D263-C289 VanDerWaalsContact O-O 3.12Å; D263-Q290 WeakPolarHBondContact O-CA 3.32Å
264	T	94.7	Very high	88.8	Confident	37 Å²	37	42.1 Å²	42.1	23%	0.227	22%	0.218	C	C	.	.			trans	-79.8	-5.2	-175.9	63.9	0	0	0	0	113	D238 P266 I322 Y333	D238-T264 VanDerWaalsContact CG-OG1 3.28Å; D238-T264 PolarHBondContact OD1-N 3.07Å; D238-T264 PolarHBondContact OD1-OG1 3.08Å; D238-T264 PolarHBondContact OD2-OG1 2.85Å; T264-P266 VanDerWaalsContact O-CD 3.29Å; T264-P266 WeakPolarHBondContact O-CD 3.47Å; T264-I322 HydrophobicContact CG2-CD1 4.46Å; T264-I322 WeakPolarHBondContact OG1-CD1 3.29Å; T264-I322 WeakPolarHBondContact OG1-CG1 3.19Å; T264-Y333 HydrophobicContact CG2-CD1 4.17Å; T264-Y333 HydrophobicContact CG2-CE1 3.45Å; T264-Y333 VanDerWaalsContact CG2-CE1 3.45Å; T264-Y333 HydrophobicContact CG2-CE2 4.47Å
265	S	94.3	Very high	89.2	Confident	16 Å²	16	41.7 Å²	41.7	11%	0.112	22%	0.215	C	C	.	.			trans	-90.3	107.8	175.2	175.6	0	0	0	0	110.6	D263 S267 S268 C269	D263-S265 PolarHBondContact O-N 3.41Å; D263-S265 WeakPolarHBondContact OD1-CA 3.37Å; D263-S265 VanDerWaalsContact OD1-CB 3.26Å; D263-S265 WeakPolarHBondContact OD1-CB 3.39Å; D263-S265 PolarHBondContact OD1-N 2.65Å; S265-S267 PolarHBondContact O-N 2.85Å; S265-S268 WeakPolarHBondContact O-CB 3.4Å; S265-S268 PolarHBondContact O-N 2.76Å; S265-S268 PolarHBondContact OG-N 2.94Å; S265-C269 PolarHBondContact O-N 2.89Å; S265-C269 PolarHBondContact O-SG 3.29Å
266	P	93.5	Very high	90	Very high	71 Å²	71	32.4 Å²	32.4	46%	0.461	17%	0.171	S	C	.	.	H	α-helix	trans	-59.2	-37.1	-176.8	-24.9	35.8	0	0	0	112.8	T264 S268 C269 L270	T264-P266 VanDerWaalsContact O-CD 3.29Å; T264-P266 WeakPolarHBondContact O-CD 3.47Å; P266-S268 VanDerWaalsContact C-N 3.33Å; P266-C269 PolarHBondContact O-N 2.89Å; P266-L270 WeakPolarHBondContact O-CG 3.45Å; P266-L270 PolarHBondContact O-N 2.94Å; P266-L270 VanDerWaalsContact O-N 3.12Å
267	S	92.9	Very high	90.5	Very high	67 Å²	67	32.4 Å²	32.4	47%	0.469	17%	0.173	S	C	.	.	H	α-helix	trans	-69.2	-31.7	177.6	-54.5	0	0	0	0	112.4	S265 L271	S265-S267 PolarHBondContact O-N 2.85Å; S267-L271 PolarHBondContact O-N 3.09Å
268	S	94.1	Very high	90.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-72.7	-42.7	175.8	-174.8	0	0	0	0	110.5	W195 C239 D263 S265 P266 L270 L271 L272	W195-S268 PolarHBondContact NE1-OG 2.86Å; W195-S268 VanDerWaalsContact NE1-OG 3.16Å; C239-S268 WeakPolarHBondContact CA-OG 3.48Å; C239-S268 PolarHBondContact N-OG 3.34Å; D263-S268 WeakPolarHBondContact OD2-CB 3.5Å; D263-S268 PolarHBondContact OD2-OG 3.07Å; S265-S268 WeakPolarHBondContact O-CB 3.4Å; S265-S268 PolarHBondContact O-N 2.76Å; S265-S268 PolarHBondContact OG-N 2.94Å; P266-S268 VanDerWaalsContact C-N 3.33Å; S268-L270 PolarHBondContact O-N 2.84Å; S268-L271 WeakPolarHBondContact O-CB 3.46Å; S268-L271 PolarHBondContact O-N 3.42Å; S268-L272 WeakPolarHBondContact O-CB 3.48Å; S268-L272 WeakPolarHBondContact O-CG 3.5Å; S268-L272 PolarHBondContact O-N 2.84Å
269	C	93.7	Very high	89.8	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.014	19%	0.193	C	C	.	.	H	α-helix	trans	-53.8	-50.1	171.9	-64.6	0	0	0	0	112	D263 S265 P266 L271 L272 D273 Q290	D263-C269 PolarHBondContact O-SG 2.93Å; S265-C269 PolarHBondContact O-N 2.89Å; S265-C269 PolarHBondContact O-SG 3.29Å; P266-C269 PolarHBondContact O-N 2.89Å; C269-L271 VanDerWaalsContact C-N 3.26Å; C269-L271 PolarHBondContact O-N 2.91Å; C269-L272 PolarHBondContact O-N 2.89Å; C269-L272 VanDerWaalsContact O-N 3.1Å; C269-D273 WeakPolarHBondContact O-CB 3.45Å; C269-D273 PolarHBondContact O-N 2.79Å; C269-Q290 HydrophobicContact CB-CG 4.29Å; C269-Q290 WeakPolarHBondContact SG-CG 3.36Å
270	L	91.1	Very high	88.6	Confident	114 Å²	114	37.7 Å²	37.7	60%	0.597	21%	0.207	S	C	*	.	H	α-helix	trans	-60.2	-35	-179.4	-70.9	173.9	0	0	0	113.2	P266 S268	P266-L270 WeakPolarHBondContact O-CG 3.45Å; P266-L270 PolarHBondContact O-N 2.94Å; P266-L270 VanDerWaalsContact O-N 3.12Å; S268-L270 PolarHBondContact O-N 2.84Å
271	L	90.5	Very high	87	Confident	6 Å²	6	44.1 Å²	44.1	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-68.9	-49.3	173.3	172	67.3	0	0	0	111.1	C189 L191 S267 S268 C269 R274 I275	C189-L271 WeakPolarHBondContact O-CD1 3.46Å; L191-L271 HydrophobicContact CB-CD1 4.5Å; L191-L271 HydrophobicContact CB-CD2 3.81Å; L191-L271 HydrophobicContact CD1-CD2 4.35Å; L191-L271 HydrophobicContact CG-CD2 4.1Å; S267-L271 PolarHBondContact O-N 3.09Å; S268-L271 WeakPolarHBondContact O-CB 3.46Å; S268-L271 PolarHBondContact O-N 3.42Å; C269-L271 VanDerWaalsContact C-N 3.26Å; C269-L271 PolarHBondContact O-N 2.91Å; L271-R274 PolarHBondContact O-N 2.84Å; L271-I275 HydrophobicContact CD1-CD1 4.28Å; L271-I275 HydrophobicContact CG-CD1 4.26Å; L271-I275 WeakPolarHBondContact O-CG1 3.23Å; L271-I275 PolarHBondContact O-N 3.49Å
272	L	90.9	Very high	85.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-68.5	-36	-175.4	-73.7	173.9	0	0	0	112.6	F13 W195 H261 D263 S268 C269 R274 I275 Y276	F13-L272 HydrophobicContact CE2-CD2 4.38Å; F13-L272 HydrophobicContact CZ-CD2 3.72Å; W195-L272 HydrophobicContact CH2-CD2 4.48Å; W195-L272 HydrophobicContact CZ2-CD1 4.47Å; W195-L272 HydrophobicContact CZ2-CD2 4.02Å; W195-L272 HydrophobicContact CZ2-CG 4.39Å; H261-L272 VanDerWaalsContact CE1-CD1 3.46Å; H261-L272 WeakPolarHBondContact CE1-CD1 3.11Å; D263-L272 WeakPolarHBondContact OD2-CD1 3.44Å; S268-L272 WeakPolarHBondContact O-CB 3.48Å; S268-L272 WeakPolarHBondContact O-CG 3.5Å; S268-L272 PolarHBondContact O-N 2.84Å; C269-L272 PolarHBondContact O-N 2.89Å; C269-L272 VanDerWaalsContact O-N 3.1Å; L272-R274 VanDerWaalsContact C-N 3.34Å; L272-R274 PolarHBondContact O-N 3.27Å; L272-I275 CarbonylContact O-C 2.83Å; L272-I275 WeakPolarHBondContact O-CA 3.5Å; L272-I275 WeakPolarHBondContact O-CB 3.46Å; L272-I275 PolarHBondContact O-N 2.99Å; L272-Y276 HydrophobicContact CB-CD2 4.39Å; L272-Y276 HydrophobicContact CB-CE2 3.9Å; L272-Y276 HydrophobicContact CD2-CE1 4.29Å; L272-Y276 WeakPolarHBondContact O-CB 3.43Å; L272-Y276 WeakPolarHBondContact O-CD2 3.19Å; L272-Y276 PolarHBondContact O-N 3.28Å
273	D	90.1	Very high	83.6	Confident	53 Å²	53	50 Å²	50	28%	0.283	30%	0.299	S	S	.	.	H	α-helix	trans	-57.7	-46	176.4	-74	-21.6	0	0	0	111.1	C269 I275 Y276 E277 S288	C269-D273 WeakPolarHBondContact O-CB 3.45Å; C269-D273 PolarHBondContact O-N 2.79Å; D273-I275 VanDerWaalsContact C-N 3.25Å; D273-I275 PolarHBondContact O-N 2.99Å; D273-Y276 PolarHBondContact O-N 3.46Å; D273-E277 WeakPolarHBondContact O-CB 3.41Å; D273-E277 VanDerWaalsContact O-CG 3.3Å; D273-E277 WeakPolarHBondContact O-CG 3.49Å; D273-E277 PolarHBondContact O-N 3.26Å; D273-S288 WeakPolarHBondContact OD1-CB 3.13Å; D273-S288 PolarHBondContact OD1-OG 3.45Å
274	R	86.3	Confident	82.3	Confident	105 Å²	105	50.1 Å²	50.1	40%	0.396	30%	0.3	S	S	.	.	H	α-helix	trans	-58.4	-38.4	174.4	-70	-173.5	-71.9	176	-8.5	112.3	D190 L271 L272 S278	D190-R274 IonicContact OD2-CZ 3.01Å; D190-R274 IonicContact OD2-NH1 3.32Å; D190-R274 IonicContact OD2-NH2 3.79Å; D190-R274 PolarHBondContact OD2-NH2 2.84Å; L271-R274 PolarHBondContact O-N 2.84Å; L272-R274 VanDerWaalsContact C-N 3.34Å; L272-R274 PolarHBondContact O-N 3.27Å; R274-S278 PolarHBondContact O-N 3.29Å
275	I	84	Confident	81.6	Confident	14 Å²	14	53.5 Å²	53.5	7%	0.072	32%	0.316	C	S	.	.	H	α-helix	trans	-72.7	-42.9	179.2	-62.8	173.3	0	0	0	110.2	F13 L271 L272 D273 S278 Y279	F13-I275 HydrophobicContact CD1-CD1 4.09Å; F13-I275 HydrophobicContact CD2-CG2 4.35Å; F13-I275 HydrophobicContact CE1-CD1 3.32Å; F13-I275 HydrophobicContact CE2-CD1 4.18Å; F13-I275 HydrophobicContact CE2-CG2 3.92Å; F13-I275 HydrophobicContact CZ-CD1 3.39Å; F13-I275 HydrophobicContact CZ-CG2 4.18Å; L271-I275 HydrophobicContact CD1-CD1 4.28Å; L271-I275 HydrophobicContact CG-CD1 4.26Å; L271-I275 WeakPolarHBondContact O-CG1 3.23Å; L271-I275 PolarHBondContact O-N 3.49Å; L272-I275 CarbonylContact O-C 2.83Å; L272-I275 WeakPolarHBondContact O-CA 3.5Å; L272-I275 WeakPolarHBondContact O-CB 3.46Å; L272-I275 PolarHBondContact O-N 2.99Å; D273-I275 VanDerWaalsContact C-N 3.25Å; D273-I275 PolarHBondContact O-N 2.99Å; I275-S278 PolarHBondContact O-N 3.33Å; I275-S278 PolarHBondContact O-OG 2.86Å; I275-Y279 PolarHBondContact O-N 2.89Å
276	Y	87.5	Confident	81.3	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.016	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-39.3	178.3	-63.6	-18.4	0	0	0	112.3	P243 F244 H261 L272 D273 S278 Y279 S280 I286	P243-Y276 WeakPolarHBondContact CG-OH 3.06Å; F244-Y276 HydrophobicContact CB-CE1 4.32Å; H261-Y276 HydrophobicContact CB-CE2 4.46Å; H261-Y276 AromaticContact ND1-CE2 3.85Å; H261-Y276 AromaticContact ND1-CZ 3.85Å; H261-Y276 PolarHBondContact ND1-OH 3.34Å; L272-Y276 HydrophobicContact CB-CD2 4.39Å; L272-Y276 HydrophobicContact CB-CE2 3.9Å; L272-Y276 HydrophobicContact CD2-CE1 4.29Å; L272-Y276 WeakPolarHBondContact O-CB 3.43Å; L272-Y276 WeakPolarHBondContact O-CD2 3.19Å; L272-Y276 PolarHBondContact O-N 3.28Å; D273-Y276 PolarHBondContact O-N 3.46Å; Y276-S278 VanDerWaalsContact C-N 3.33Å; Y276-S278 PolarHBondContact O-N 2.87Å; Y276-Y279 PolarHBondContact O-N 2.98Å; Y276-Y279 VanDerWaalsContact O-N 3.1Å; Y276-S280 PolarHBondContact O-N 2.96Å; Y276-S280 PolarHBondContact O-OG 3.42Å; Y276-I286 HydrophobicContact CD1-CB 4.34Å; Y276-I286 HydrophobicContact CD1-CD1 3.74Å; Y276-I286 HydrophobicContact CD1-CG2 4.38Å; Y276-I286 HydrophobicContact CD2-CB 3.83Å; Y276-I286 HydrophobicContact CD2-CG2 3.58Å; Y276-I286 HydrophobicContact CE1-CD1 3.94Å; Y276-I286 HydrophobicContact CE1-CG2 4.33Å; Y276-I286 HydrophobicContact CE2-CB 4.25Å; Y276-I286 HydrophobicContact CE2-CG2 3.49Å; Y276-I286 VanDerWaalsContact CE2-CG2 3.49Å; Y276-I286 HydrophobicContact CG-CB 3.88Å; Y276-I286 HydrophobicContact CG-CD1 4.16Å; Y276-I286 HydrophobicContact CG-CG1 4.49Å; Y276-I286 HydrophobicContact CG-CG2 4.04Å
277	E	83.3	Confident	81.2	Confident	145 Å²	145	52.4 Å²	52.4	68%	0.678	30%	0.303	S	S	*	.	H	α-helix	trans	-58.5	-43.6	173.8	-77.2	176.9	179.5	0	0	111.8	D273 Y279 S280	D273-E277 WeakPolarHBondContact O-CB 3.41Å; D273-E277 VanDerWaalsContact O-CG 3.3Å; D273-E277 WeakPolarHBondContact O-CG 3.49Å; D273-E277 PolarHBondContact O-N 3.26Å; E277-Y279 PolarHBondContact O-N 3.18Å; E277-S280 PolarHBondContact O-N 2.89Å
278	S	75.8	Confident	81.2	Confident	78 Å²	78	49.7 Å²	49.7	55%	0.545	28%	0.284	S	S	.	.	H	α-helix	trans	-63.8	-24.8	177.2	81.1	0	0	0	0	113.5	R274 I275 Y276	R274-S278 PolarHBondContact O-N 3.29Å; I275-S278 PolarHBondContact O-N 3.33Å; I275-S278 PolarHBondContact O-OG 2.86Å; Y276-S278 VanDerWaalsContact C-N 3.33Å; Y276-S278 PolarHBondContact O-N 2.87Å
279	Y	71.7	Confident	81.3	Confident	35 Å²	35	49.7 Å²	49.7	14%	0.137	28%	0.284	C	S	.	.	H	α-helix	trans	-93.8	-22.9	-177	-176.8	-109.5	0	0	0	114.3	F244 K248 I275 Y276 E277 T281 S282	F244-Y279 AromaticContact CD2-CD1 3.95Å; F244-Y279 HydrophobicContact CD2-CD1 3.95Å; F244-Y279 HydrophobicContact CD2-CD2 4.05Å; F244-Y279 HydrophobicContact CD2-CE1 4.49Å; F244-Y279 AromaticContact CD2-CG 3.71Å; F244-Y279 HydrophobicContact CD2-CG 3.71Å; F244-Y279 AromaticContact CE2-CD1 3.91Å; F244-Y279 HydrophobicContact CE2-CD1 3.91Å; F244-Y279 AromaticContact CE2-CD2 3.16Å; F244-Y279 HydrophobicContact CE2-CD2 3.16Å; F244-Y279 HydrophobicContact CE2-CE1 4.41Å; F244-Y279 AromaticContact CE2-CE2 3.77Å; F244-Y279 HydrophobicContact CE2-CE2 3.77Å; F244-Y279 AromaticContact CE2-CG 3.26Å; F244-Y279 HydrophobicContact CE2-CG 3.26Å; F244-Y279 AromaticContact CZ-CD2 3.64Å; F244-Y279 HydrophobicContact CZ-CD2 3.64Å; F244-Y279 AromaticContact CZ-CE2 3.85Å; F244-Y279 HydrophobicContact CZ-CE2 3.85Å; F244-Y279 HydrophobicContact CZ-CG 4.18Å; K248-Y279 HydrophobicContact CD-CE2 4.34Å; K248-Y279 HydrophobicContact CG-CE2 4.42Å; K248-Y279 VanDerWaalsContact CG-OH 3.24Å; K248-Y279 WeakPolarHBondContact CG-OH 3.3Å; I275-Y279 PolarHBondContact O-N 2.89Å; Y276-Y279 PolarHBondContact O-N 2.98Å; Y276-Y279 VanDerWaalsContact O-N 3.1Å; E277-Y279 PolarHBondContact O-N 3.18Å; Y279-T281 PolarHBondContact O-N 3.35Å; Y279-S282 WeakPolarHBondContact CE1-OG 3.42Å; Y279-S282 WeakPolarHBondContact CE2-OG 3.44Å; Y279-S282 PolarHBondContact O-N 3.12Å; Y279-S282 PolarHBondContact O-OG 2.96Å; Y279-S282 PolarHBondContact OH-OG 3.22Å
280	S	66	Low	81.3	Confident	42 Å²	42	53.2 Å²	53.2	29%	0.294	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-62.5	-4.5	-167.8	-69.3	0	0	0	0	114.9	Y276 E277 S282	Y276-S280 PolarHBondContact O-N 2.96Å; Y276-S280 PolarHBondContact O-OG 3.42Å; E277-S280 PolarHBondContact O-N 2.89Å; S280-S282 PolarHBondContact O-N 3.2Å; S280-S282 VanDerWaalsContact O-N 3.1Å
281	T	58.2	Low	81.4	Confident	138 Å²	138	49.2 Å²	49.2	85%	0.847	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-66.5	-5.8	173.6	59.4	0	0	0	0	114.4	Y279	Y279-T281 PolarHBondContact O-N 3.35Å
282	S	59.4	Low	81.4	Confident	49 Å²	49	49.4 Å²	49.4	34%	0.343	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-104.3	12.7	-171.2	52.9	0	0	0	0	115.1	Y279 S280 S284	Y279-S282 WeakPolarHBondContact CE1-OG 3.42Å; Y279-S282 WeakPolarHBondContact CE2-OG 3.44Å; Y279-S282 PolarHBondContact O-N 3.12Å; Y279-S282 PolarHBondContact O-OG 2.96Å; Y279-S282 PolarHBondContact OH-OG 3.22Å; S280-S282 PolarHBondContact O-N 3.2Å; S280-S282 VanDerWaalsContact O-N 3.1Å; S282-S284 VanDerWaalsContact C-N 3.32Å; S282-S284 PolarHBondContact O-N 3.48Å
283	G	61.7	Low	81.3	Confident	73 Å²	73	55.3 Å²	55.3	75%	0.753	31%	0.31	S	S	*	.	S	Bend	trans	86.2	-8.5	172.9	0	0	0	0	0	115.5
284	S	67.9	Low	81.4	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.021	31%	0.31	C	S	.	.			trans	-103.8	118.2	168.5	-72.8	0	0	0	0	109.8	G247 A251 S282	G247-S284 WeakPolarHBondContact O-CB 3.4Å; G247-S284 PolarHBondContact O-OG 3.1Å; A251-S284 WeakPolarHBondContact CB-OG 2.99Å; A251-S284 PolarHBondContact N-OG 3.4Å; S282-S284 VanDerWaalsContact C-N 3.32Å; S282-S284 PolarHBondContact O-N 3.48Å
285	I	80.3	Confident	81.6	Confident	109 Å²	109	50.6 Å²	50.6	56%	0.559	29%	0.291	S	S	*	.			trans	-91.1	132.5	170.8	-58.7	173.5	0	0	0	107.7	E287	I285-E287 HydrophobicContact CG2-CG 4.19Å
286	I	89.3	Confident	81.6	Confident	11 Å²	11	51.1 Å²	51.1	6%	0.056	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	118.7	172.8	-48.7	-175.8	0	0	0	107	P243 F244 L259 H261 Y276	P243-I286 HydrophobicContact CB-CD1 4.46Å; P243-I286 HydrophobicContact CB-CG2 4.02Å; F244-I286 HydrophobicContact CB-CD1 4.44Å; L259-I286 HydrophobicContact CD2-CB 4.46Å; L259-I286 HydrophobicContact CD2-CD1 3.97Å; L259-I286 HydrophobicContact CD2-CG1 3.79Å; L259-I286 HydrophobicContact CD2-CG2 4.14Å; L259-I286 HydrophobicContact CG-CG2 4.28Å; L259-I286 WeakPolarHBondContact O-CA 3.35Å; H261-I286 HydrophobicContact CB-CG2 4.32Å; Y276-I286 HydrophobicContact CD1-CB 4.34Å; Y276-I286 HydrophobicContact CD1-CD1 3.74Å; Y276-I286 HydrophobicContact CD1-CG2 4.38Å; Y276-I286 HydrophobicContact CD2-CB 3.83Å; Y276-I286 HydrophobicContact CD2-CG2 3.58Å; Y276-I286 HydrophobicContact CE1-CD1 3.94Å; Y276-I286 HydrophobicContact CE1-CG2 4.33Å; Y276-I286 HydrophobicContact CE2-CB 4.25Å; Y276-I286 HydrophobicContact CE2-CG2 3.49Å; Y276-I286 VanDerWaalsContact CE2-CG2 3.49Å; Y276-I286 HydrophobicContact CG-CB 3.88Å; Y276-I286 HydrophobicContact CG-CD1 4.16Å; Y276-I286 HydrophobicContact CG-CG1 4.49Å; Y276-I286 HydrophobicContact CG-CG2 4.04Å
287	E	90.9	Very high	81.4	Confident	52 Å²	52	54.2 Å²	54.2	24%	0.243	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	117.6	178.9	-66.5	176.6	-135.6	0	0	109.9	Q258 L259 I260 H261 I285 R298	Q258-E287 PolarHBondContact NE2-OE1 3.27Å; Q258-E287 PolarHBondContact NE2-OE2 2.61Å; L259-E287 PolarHBondContact O-N 2.94Å; I260-E287 CarbonylContact C-O 3.55Å; I260-E287 WeakPolarHBondContact CA-O 3.44Å; I260-E287 HydrophobicContact CG1-CB 4.41Å; H261-E287 PolarHBondContact N-O 3.01Å; I285-E287 HydrophobicContact CG2-CG 4.19Å; E287-R298 VanDerWaalsContact OE2-CD 3.31Å; E287-R298 WeakPolarHBondContact OE2-CD 3.17Å; E287-R298 IonicContact OE2-NE 2.87Å
288	S	93.2	Very high	81.3	Confident	10 Å²	10	50.9 Å²	50.9	7%	0.07	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	135.9	176.7	-52.6	0	0	0	0	111.6	H261 D273 R298	H261-S288 CarbonylContact O-C 3.55Å; H261-S288 WeakPolarHBondContact O-CA 3.4Å; D273-S288 WeakPolarHBondContact OD1-CB 3.13Å; D273-S288 PolarHBondContact OD1-OG 3.45Å; S288-R298 PolarHBondContact O-NH1 2.78Å; S288-R298 VanDerWaalsContact O-NH1 3.09Å; S288-R298 PolarHBondContact O-NH2 2.99Å
289	C	94.9	Very high	81.3	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	146.7	173	-62.1	0	0	0	0	110.1	I260 H261 L262 D263 E294 V295 R298	I260-C289 HydrophobicContact CG2-CB 4.43Å; I260-C289 WeakPolarHBondContact CG2-SG 3.28Å; H261-C289 PolarHBondContact O-N 2.93Å; L262-C289 WeakPolarHBondContact CA-O 3.17Å; L262-C289 HydrophobicContact CD1-CB 4.02Å; D263-C289 PolarHBondContact N-O 3.36Å; D263-C289 VanDerWaalsContact O-O 3.12Å; C289-E294 WeakPolarHBondContact CA-OE2 3.45Å; C289-E294 HydrophobicContact CB-CB 4.14Å; C289-V295 HydrophobicContact CB-CG2 3.7Å; C289-V295 VanDerWaalsContact SG-CG2 3.58Å; C289-R298 VanDerWaalsContact SG-CD 3.54Å; C289-R298 PolarHBondContact SG-NH1 2.85Å
290	Q	94.3	Very high	80.9	Confident	77 Å²	77	48.9 Å²	48.9	36%	0.36	28%	0.284	S	S	.	.	S	Bend	trans	-105.5	-11.6	173.2	-69.6	174.8	9.3	0	0	113.8	D263 C269 E294	D263-Q290 WeakPolarHBondContact O-CA 3.32Å; C269-Q290 HydrophobicContact CB-CG 4.29Å; C269-Q290 WeakPolarHBondContact SG-CG 3.36Å; Q290-E294 PolarHBondContact N-OE2 2.94Å
291	S	93.4	Very high	80.5	Confident	30 Å²	30	50.3 Å²	50.3	21%	0.21	29%	0.292	C	S	.	.	S	Bend	trans	-144.6	161.5	-176.8	63.9	0	0	0	0	111.7	E293 E294 V295	S291-E293 VanDerWaalsContact C-N 3.29Å; S291-E293 WeakPolarHBondContact CB-OE2 3.11Å; S291-E294 WeakPolarHBondContact O-CB 3.4Å; S291-E294 PolarHBondContact O-N 3.18Å; S291-E294 WeakPolarHBondContact OG-CB 3.47Å; S291-E294 WeakPolarHBondContact OG-CG 3.42Å; S291-E294 PolarHBondContact OG-N 2.91Å; S291-E294 PolarHBondContact OG-OE1 3.29Å; S291-V295 WeakPolarHBondContact O-CG2 3.34Å; S291-V295 PolarHBondContact O-N 3.32Å
292	I	89.7	Confident	80.2	Confident	9 Å²	9	48 Å²	48	5%	0.046	28%	0.275	C	S	.	.	H	α-helix	trans	-71.5	-30.1	177.2	-162.7	63.8	0	0	0	111.4	L262 E294 V295 F296 A337 N340 L341	L262-I292 HydrophobicContact CD2-CD1 4.24Å; I292-E294 VanDerWaalsContact C-N 3.32Å; I292-E294 PolarHBondContact O-N 3.25Å; I292-V295 HydrophobicContact CD1-CB 4.23Å; I292-V295 HydrophobicContact CD1-CG1 4.5Å; I292-V295 HydrophobicContact CD1-CG2 4.4Å; I292-V295 WeakPolarHBondContact O-CB 3.48Å; I292-V295 PolarHBondContact O-N 3.25Å; I292-F296 HydrophobicContact CG1-CD2 4.4Å; I292-F296 HydrophobicContact CG1-CE2 3.84Å; I292-F296 HydrophobicContact CG1-CZ 4.23Å; I292-F296 HydrophobicContact CG2-CE2 4.44Å; I292-F296 WeakPolarHBondContact O-CD2 3.33Å; I292-F296 PolarHBondContact O-N 2.69Å; I292-A337 HydrophobicContact CD1-CB 4.09Å; I292-N340 HydrophobicContact CG1-CB 4.25Å; I292-L341 HydrophobicContact CD1-CD1 4.43Å; I292-L341 HydrophobicContact CD1-CD2 3.96Å; I292-L341 HydrophobicContact CD1-CG 3.98Å
293	E	89.8	Confident	79.9	Confident	125 Å²	125	45.9 Å²	45.9	58%	0.584	26%	0.26	S	S	*	.	H	α-helix	trans	-61.2	-42.2	173.3	-65.2	72	-157.2	0	0	111.1	S291 F296 S297	S291-E293 VanDerWaalsContact C-N 3.29Å; S291-E293 WeakPolarHBondContact CB-OE2 3.11Å; E293-F296 PolarHBondContact O-N 3.48Å; E293-S297 PolarHBondContact O-N 2.96Å
294	E	91.9	Very high	79.2	Confident	59 Å²	59	46 Å²	46	28%	0.276	24%	0.24	S	C	.	.	H	α-helix	trans	-63.1	-42.5	172.8	-89	177.2	-126.9	0	0	112.5	C289 Q290 S291 I292 F296 S297 R298	C289-E294 WeakPolarHBondContact CA-OE2 3.45Å; C289-E294 HydrophobicContact CB-CB 4.14Å; Q290-E294 PolarHBondContact N-OE2 2.94Å; S291-E294 WeakPolarHBondContact O-CB 3.4Å; S291-E294 PolarHBondContact O-N 3.18Å; S291-E294 WeakPolarHBondContact OG-CB 3.47Å; S291-E294 WeakPolarHBondContact OG-CG 3.42Å; S291-E294 PolarHBondContact OG-N 2.91Å; S291-E294 PolarHBondContact OG-OE1 3.29Å; I292-E294 VanDerWaalsContact C-N 3.32Å; I292-E294 PolarHBondContact O-N 3.25Å; E294-F296 VanDerWaalsContact C-N 3.31Å; E294-F296 PolarHBondContact O-N 3.44Å; E294-S297 PolarHBondContact O-N 3.16Å; E294-S297 VanDerWaalsContact O-N 3.15Å; E294-S297 PolarHBondContact O-OG 3.38Å; E294-R298 PolarHBondContact O-N 2.84Å; E294-R298 IonicContact OE2-CZ 2.66Å; E294-R298 IonicContact OE2-NH1 3.83Å; E294-R298 PolarHBondContact OE2-NH1 2.93Å; E294-R298 IonicContact OE2-NH2 3.83Å
295	V	89.9	Confident	78.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.3	-47.4	174.4	174.8	0	0	0	0	110.1	L234 I260 L262 C289 S291 I292 S297 R298 M299 L341	L234-V295 HydrophobicContact CD1-CG1 4.19Å; L234-V295 HydrophobicContact CD1-CG2 4.14Å; L234-V295 HydrophobicContact CD2-CG1 4.12Å; I260-V295 HydrophobicContact CG2-CG2 4.21Å; L262-V295 HydrophobicContact CB-CG2 4.27Å; L262-V295 HydrophobicContact CD1-CG2 4.29Å; L262-V295 HydrophobicContact CD2-CG2 4.32Å; C289-V295 HydrophobicContact CB-CG2 3.7Å; C289-V295 VanDerWaalsContact SG-CG2 3.58Å; S291-V295 WeakPolarHBondContact O-CG2 3.34Å; S291-V295 PolarHBondContact O-N 3.32Å; I292-V295 HydrophobicContact CD1-CB 4.23Å; I292-V295 HydrophobicContact CD1-CG1 4.5Å; I292-V295 HydrophobicContact CD1-CG2 4.4Å; I292-V295 WeakPolarHBondContact O-CB 3.48Å; I292-V295 PolarHBondContact O-N 3.25Å; V295-S297 VanDerWaalsContact C-N 3.34Å; V295-S297 PolarHBondContact O-N 3.35Å; V295-R298 PolarHBondContact O-N 2.74Å; V295-M299 HydrophobicContact CG1-CE 3.53Å; V295-M299 HydrophobicContact CG1-CG 4.24Å; V295-M299 HydrophobicContact CG1-SD 3.71Å; V295-M299 WeakPolarHBondContact O-CB 3.43Å; V295-M299 WeakPolarHBondContact O-CG 3.2Å; V295-M299 PolarHBondContact O-N 3.13Å; V295-L341 HydrophobicContact CG1-CD2 4.17Å
296	F	84.2	Confident	76.6	Confident	24 Å²	24	54.3 Å²	54.3	11%	0.105	28%	0.279	C	S	.	.	H	α-helix	trans	-58.6	-45.3	174.9	-69.8	-55	0	0	0	111.9	I292 E293 E294 R298 M299 T300 L341 H344 N345	I292-F296 HydrophobicContact CG1-CD2 4.4Å; I292-F296 HydrophobicContact CG1-CE2 3.84Å; I292-F296 HydrophobicContact CG1-CZ 4.23Å; I292-F296 HydrophobicContact CG2-CE2 4.44Å; I292-F296 WeakPolarHBondContact O-CD2 3.33Å; I292-F296 PolarHBondContact O-N 2.69Å; E293-F296 PolarHBondContact O-N 3.48Å; E294-F296 VanDerWaalsContact C-N 3.31Å; E294-F296 PolarHBondContact O-N 3.44Å; F296-R298 VanDerWaalsContact C-N 3.25Å; F296-R298 PolarHBondContact O-N 3.45Å; F296-M299 PolarHBondContact O-N 2.86Å; F296-T300 WeakPolarHBondContact O-CB 3.44Å; F296-T300 PolarHBondContact O-N 2.76Å; F296-T300 PolarHBondContact O-OG1 3.22Å; F296-L341 HydrophobicContact CD1-CD2 4.16Å; F296-L341 HydrophobicContact CE1-CD2 3.56Å; F296-L341 HydrophobicContact CZ-CD2 3.98Å; F296-H344 HydrophobicContact CE1-CB 3.66Å; F296-H344 HydrophobicContact CE2-CB 4.31Å; F296-H344 AromaticContact CE2-CG 3.84Å; F296-H344 AromaticContact CE2-ND1 3.79Å; F296-H344 HydrophobicContact CZ-CB 3.56Å; F296-H344 AromaticContact CZ-CG 3.52Å; F296-H344 AromaticContact CZ-ND1 3.56Å; F296-N345 WeakPolarHBondContact CE1-ND2 3.38Å
297	S	83.8	Confident	74.8	Confident	70 Å²	70	56.1 Å²	56.1	49%	0.49	29%	0.291	S	S	.	.	H	α-helix	trans	-60.6	-32.7	-179.5	80.6	0	0	0	0	113.6	E293 E294 V295 P301	E293-S297 PolarHBondContact O-N 2.96Å; E294-S297 PolarHBondContact O-N 3.16Å; E294-S297 VanDerWaalsContact O-N 3.15Å; E294-S297 PolarHBondContact O-OG 3.38Å; V295-S297 VanDerWaalsContact C-N 3.34Å; V295-S297 PolarHBondContact O-N 3.35Å; S297-P301 WeakPolarHBondContact O-CD 3.46Å
298	R	81.9	Confident	73	Confident	74 Å²	74	58.7 Å²	58.7	28%	0.279	31%	0.306	S	S	.	.	H	α-helix	trans	-84.5	-32.3	178.6	-71.7	175	173.8	108.9	-2.5	113.1	I260 E287 S288 C289 E294 V295 F296	I260-R298 HydrophobicContact CD1-CB 4.34Å; E287-R298 VanDerWaalsContact OE2-CD 3.31Å; E287-R298 WeakPolarHBondContact OE2-CD 3.17Å; E287-R298 IonicContact OE2-NE 2.87Å; S288-R298 PolarHBondContact O-NH1 2.78Å; S288-R298 VanDerWaalsContact O-NH1 3.09Å; S288-R298 PolarHBondContact O-NH2 2.99Å; C289-R298 VanDerWaalsContact SG-CD 3.54Å; C289-R298 PolarHBondContact SG-NH1 2.85Å; E294-R298 PolarHBondContact O-N 2.84Å; E294-R298 IonicContact OE2-CZ 2.66Å; E294-R298 IonicContact OE2-NH1 3.83Å; E294-R298 PolarHBondContact OE2-NH1 2.93Å; E294-R298 IonicContact OE2-NH2 3.83Å; V295-R298 PolarHBondContact O-N 2.74Å; F296-R298 VanDerWaalsContact C-N 3.25Å; F296-R298 PolarHBondContact O-N 3.45Å
299	M	75.7	Confident	70.9	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-75.8	-35.7	175.5	-70.4	-175.4	175.9	0	0	112.1	L234 I260 V295 F296 N302 I303 F304 L314 L341	L234-M299 HydrophobicContact CB-CE 4.1Å; L234-M299 HydrophobicContact CD1-CE 4.48Å; L234-M299 HydrophobicContact CD2-CE 4.18Å; L234-M299 HydrophobicContact CG-CE 4.49Å; I260-M299 HydrophobicContact CD1-CE 3.7Å; I260-M299 HydrophobicContact CD1-CG 3.62Å; V295-M299 HydrophobicContact CG1-CE 3.53Å; V295-M299 HydrophobicContact CG1-CG 4.24Å; V295-M299 HydrophobicContact CG1-SD 3.71Å; V295-M299 WeakPolarHBondContact O-CB 3.43Å; V295-M299 WeakPolarHBondContact O-CG 3.2Å; V295-M299 PolarHBondContact O-N 3.13Å; F296-M299 PolarHBondContact O-N 2.86Å; M299-N302 PolarHBondContact O-N 2.84Å; M299-I303 HydrophobicContact CB-CD1 4.06Å; M299-I303 HydrophobicContact CG-CD1 4.1Å; M299-I303 PolarHBondContact O-N 2.89Å; M299-F304 HydrophobicContact CB-CE2 3.91Å; M299-F304 VanDerWaalsContact O-CD2 3.28Å; M299-F304 WeakPolarHBondContact O-CD2 3.21Å; M299-L314 HydrophobicContact CE-CD1 3.58Å; M299-L314 HydrophobicContact CE-CD2 3.78Å; M299-L314 HydrophobicContact CE-CG 4.36Å; M299-L314 HydrophobicContact SD-CD1 4.5Å; M299-L314 HydrophobicContact SD-CD2 3.78Å; M299-L341 HydrophobicContact SD-CD2 4.45Å
300	T	62.8	Low	68.9	Low	69 Å²	69	66.2 Å²	66.2	42%	0.423	35%	0.353	S	S	.	.	H	α-helix	trans	-51.6	-49.4	-176	-56.2	0	0	0	0	113.8	F296 N302 F304	F296-T300 WeakPolarHBondContact O-CB 3.44Å; F296-T300 PolarHBondContact O-N 2.76Å; F296-T300 PolarHBondContact O-OG1 3.22Å; T300-N302 PolarHBondContact O-N 3.32Å; T300-F304 WeakPolarHBondContact O-CB 3.46Å; T300-F304 PolarHBondContact O-N 2.84Å
301	P	56.3	Low	67.3	Low	72 Å²	72	66.8 Å²	66.8	47%	0.468	36%	0.356	S	S	.	.	H	α-helix	trans	-68.8	-36	-177.9	-19.9	32.6	0	0	0	113.3	S297 T305	S297-P301 WeakPolarHBondContact O-CD 3.46Å; P301-T305 PolarHBondContact O-OG1 3.12Å
302	N	52.4	Low	65.9	Low	89 Å²	89	65.4 Å²	65.4	48%	0.476	35%	0.346	S	S	.	.	H	α-helix	trans	-92.8	-31.6	-166.6	-70.8	-21.6	0	0	0	113.8	Q258 M299 T300	Q258-N302 PolarHBondContact NE2-ND2 3.4Å; M299-N302 PolarHBondContact O-N 2.84Å; T300-N302 PolarHBondContact O-N 3.32Å
303	I	53.8	Low	65.2	Low	5 Å²	5	65.5 Å²	65.5	3%	0.026	35%	0.347	C	S	.	.	H	α-helix	trans	-104.3	-33.9	-173.3	-56.3	174.8	0	0	0	111.3	N232 M299 T307 Y348	N232-I303 HydrophobicContact CB-CD1 4.32Å; N232-I303 WeakPolarHBondContact ND2-CD1 3.4Å; N232-I303 WeakPolarHBondContact ND2-CG1 3.39Å; M299-I303 HydrophobicContact CB-CD1 4.06Å; M299-I303 HydrophobicContact CG-CD1 4.1Å; M299-I303 PolarHBondContact O-N 2.89Å; I303-T307 PolarHBondContact O-OG1 3.06Å; I303-Y348 HydrophobicContact CG2-CE1 3.77Å; I303-Y348 WeakPolarHBondContact CG2-OH 3.3Å
304	F	47.5	Very low	64.8	Low	77 Å²	77	59.6 Å²	59.6	34%	0.338	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-10.1	-165.6	-58.7	-94.5	0	0	0	115	M299 T300 N345 Y348	M299-F304 HydrophobicContact CB-CE2 3.91Å; M299-F304 VanDerWaalsContact O-CD2 3.28Å; M299-F304 WeakPolarHBondContact O-CD2 3.21Å; T300-F304 WeakPolarHBondContact O-CB 3.46Å; T300-F304 PolarHBondContact O-N 2.84Å; F304-N345 HydrophobicContact CE1-CB 4.11Å; F304-N345 VanDerWaalsContact CE1-CG 3.44Å; F304-N345 WeakPolarHBondContact CE1-OD1 3.33Å; F304-N345 HydrophobicContact CZ-CB 4.43Å; F304-N345 WeakPolarHBondContact CZ-OD1 3.26Å; F304-Y348 AromaticContact CE1-CE2 3.67Å; F304-Y348 HydrophobicContact CE1-CE2 3.67Å; F304-Y348 AromaticContact CE1-CZ 3.69Å; F304-Y348 WeakPolarHBondContact CE1-OH 3.46Å; F304-Y348 WeakPolarHBondContact CE2-OH 3.42Å; F304-Y348 AromaticContact CZ-CE2 3.58Å; F304-Y348 HydrophobicContact CZ-CE2 3.58Å; F304-Y348 AromaticContact CZ-CZ 3.55Å; F304-Y348 WeakPolarHBondContact CZ-OH 3.39Å
305	T	46.9	Very low	64.5	Low	94 Å²	94	56.9 Å²	56.9	58%	0.577	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	-6.5	-171.6	68.1	0	0	0	0	115.6	P301	P301-T305 PolarHBondContact O-OG1 3.12Å
306	K	46.9	Very low	64.6	Low	191 Å²	191	56.9 Å²	56.9	83%	0.83	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.6	-7.8	-174.3	-70.2	-174.1	-179.4	172.7	0	117.9
307	T	51.1	Low	65	Low	50 Å²	50	55.8 Å²	55.8	31%	0.307	30%	0.302	S	S	.	.	S	Bend	trans	-127.2	143	-176	43.6	0	0	0	0	111.5	I303	I303-T307 PolarHBondContact O-OG1 3.06Å
308	N	51.9	Low	65.5	Low	105 Å²	105	52.5 Å²	52.5	56%	0.561	28%	0.28	S	S	*	.			trans	-57.7	131.6	169.6	-79	-37.4	0	0	0	108.3	T310 E311	N308-T310 PolarHBondContact O-N 3.29Å; N308-E311 HydrophobicContact CB-CG 4.35Å; N308-E311 PolarHBondContact O-N 2.98Å
309	P	50.9	Low	65.9	Low	64 Å²	64	49.1 Å²	49.1	42%	0.416	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-52.6	-25.3	-179.1	-26.4	32.6	0	0	0	113.8	E311	P309-E311 PolarHBondContact O-N 2.91Å
310	T	53.1	Low	66.4	Low	104 Å²	104	49.5 Å²	49.5	64%	0.638	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-69.5	-10.7	177.1	51.7	0	0	0	0	114.7	N308	N308-T310 PolarHBondContact O-N 3.29Å
311	E	59.1	Low	67.9	Low	89 Å²	89	46.9 Å²	46.9	42%	0.416	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-106.6	-10.1	-173.8	-66.9	178.1	-166.5	0	0	114.3	N308 P309	N308-E311 HydrophobicContact CB-CG 4.35Å; N308-E311 PolarHBondContact O-N 2.98Å; P309-E311 PolarHBondContact O-N 2.91Å
312	S	65.4	Low	69.7	Low	1 Å²	1	44.2 Å²	44.2	1%	0.007	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.3	179.6	61.6	0	0	0	0	111.2	S350	S312-S350 PolarHBondContact O-OG 3.06Å
313	T	73.4	Confident	71.6	Confident	11 Å²	11	42.3 Å²	42.3	7%	0.067	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.4	171.9	-57.4	0	0	0	0	109.7	L230 F231 N232 I315 Y352	L230-T313 PolarHBondContact O-N 2.93Å; F231-T313 HydrophobicContact CE1-CG2 4.45Å; N232-T313 PolarHBondContact N-O 2.75Å; T313-I315 HydrophobicContact CG2-CD1 4.31Å; T313-I315 HydrophobicContact CG2-CG1 3.85Å; T313-Y352 HydrophobicContact CG2-CD2 3.73Å; T313-Y352 HydrophobicContact CG2-CE2 3.88Å
314	L	81.9	Confident	73.4	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.2	172.4	178.1	58.3	0	0	0	109.5	N232 L234 M299 S350 L351 Y352	N232-L314 HydrophobicContact CB-CD1 3.83Å; N232-L314 WeakPolarHBondContact O-CA 3.45Å; L234-L314 HydrophobicContact CB-CD1 4.2Å; M299-L314 HydrophobicContact CE-CD1 3.58Å; M299-L314 HydrophobicContact CE-CD2 3.78Å; M299-L314 HydrophobicContact CE-CG 4.36Å; M299-L314 HydrophobicContact SD-CD1 4.5Å; M299-L314 HydrophobicContact SD-CD2 3.78Å; L314-S350 PolarHBondContact N-O 2.81Å; L314-S350 VanDerWaalsContact N-O 3.09Å; L314-L351 HydrophobicContact CB-CD1 4.16Å; L314-L351 HydrophobicContact CD2-CD1 3.87Å; L314-L351 HydrophobicContact CG-CD1 3.8Å; L314-L351 WeakPolarHBondContact O-CA 3.37Å; L314-Y352 PolarHBondContact O-N 3.04Å
315	I	86.2	Confident	75.5	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.015	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.5	-177.8	-59.1	-173.3	0	0	0	108.2	L219 V222 F231 N232 V233 L234 T313 I317 F354	L219-I315 HydrophobicContact CD1-CD1 4.1Å; V222-I315 HydrophobicContact CG1-CD1 4.15Å; F231-I315 HydrophobicContact CD1-CD1 4.16Å; F231-I315 HydrophobicContact CE1-CD1 4.33Å; N232-I315 PolarHBondContact O-N 3.24Å; V233-I315 WeakPolarHBondContact CA-O 3.45Å; L234-I315 PolarHBondContact N-O 2.9Å; T313-I315 HydrophobicContact CG2-CD1 4.31Å; T313-I315 HydrophobicContact CG2-CG1 3.85Å; I315-I317 HydrophobicContact CG2-CD1 4.26Å; I315-I317 HydrophobicContact CG2-CG1 3.96Å; I315-F354 HydrophobicContact CG2-CB 3.45Å; I315-F354 VanDerWaalsContact CG2-CB 3.45Å; I315-F354 HydrophobicContact CG2-CD2 3.85Å; I315-F354 HydrophobicContact CG2-CG 3.74Å
316	L	91.2	Very high	77.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.2	171.2	-166.8	154.4	0	0	0	109.7	L234 V236 F334 F338 L341 Y352 L353 F354	L234-L316 HydrophobicContact CD2-CD1 3.98Å; L234-L316 HydrophobicContact CD2-CG 4.38Å; L234-L316 CarbonylContact O-C 3.42Å; L234-L316 WeakPolarHBondContact O-CA 3.05Å; V236-L316 HydrophobicContact CB-CD2 4.49Å; V236-L316 HydrophobicContact CG2-CD1 3.85Å; V236-L316 HydrophobicContact CG2-CD2 4.12Å; V236-L316 HydrophobicContact CG2-CG 3.96Å; L316-F334 HydrophobicContact CD2-CB 4.43Å; L316-F334 HydrophobicContact CD2-CD2 4.31Å; L316-F338 HydrophobicContact CB-CD2 4.24Å; L316-F338 HydrophobicContact CD1-CB 3.92Å; L316-F338 HydrophobicContact CD1-CD2 4.04Å; L316-F338 HydrophobicContact CD1-CG 4.48Å; L316-L341 HydrophobicContact CD1-CD1 3.98Å; L316-Y352 PolarHBondContact N-O 3Å; L316-L353 HydrophobicContact CB-CD1 4.43Å; L316-L353 HydrophobicContact CD2-CD1 3.61Å; L316-F354 VanDerWaalsContact O-CB 3.22Å; L316-F354 WeakPolarHBondContact O-CB 3.43Å; L316-F354 PolarHBondContact O-N 3.45Å
317	I	93.2	Very high	79.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.2	175.1	-56.9	176.8	0	0	0	107.7	I215 V233 L234 V235 V236 L242 L246 I315 F354	I215-I317 HydrophobicContact CG2-CD1 4.38Å; I215-I317 HydrophobicContact CG2-CG2 4.08Å; V233-I317 HydrophobicContact CG1-CD1 3.9Å; V233-I317 HydrophobicContact CG1-CG1 4.39Å; L234-I317 PolarHBondContact O-N 2.94Å; V235-I317 CarbonylContact C-O 3.6Å; V235-I317 VanDerWaalsContact CA-O 3.23Å; V235-I317 WeakPolarHBondContact CA-O 3.38Å; V236-I317 PolarHBondContact N-O 2.92Å; L242-I317 HydrophobicContact CD2-CG2 3.94Å; L246-I317 HydrophobicContact CD1-CD1 3.79Å; L246-I317 HydrophobicContact CD2-CD1 4.42Å; I315-I317 HydrophobicContact CG2-CD1 4.26Å; I315-I317 HydrophobicContact CG2-CG1 3.96Å; I317-F354 HydrophobicContact CD1-CD1 4.04Å; I317-F354 HydrophobicContact CG1-CB 3.9Å; I317-F354 HydrophobicContact CG1-CD1 3.85Å; I317-F354 HydrophobicContact CG1-CG 4.14Å
318	S	93.6	Very high	81.7	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.014	20%	0.197	C	C	.	.			trans	-128.7	139	173.6	-178.4	0	0	0	0	110.8	V236 F334 S355	V236-S318 WeakPolarHBondContact O-CA 3.44Å; V236-S318 VanDerWaalsContact O-CB 3.25Å; V236-S318 WeakPolarHBondContact O-CB 3.4Å; V236-S318 PolarHBondContact O-OG 2.86Å; S318-F334 VanDerWaalsContact CB-CG 3.44Å; S318-F334 VanDerWaalsContact OG-CB 3.29Å; S318-F334 WeakPolarHBondContact OG-CB 3.04Å; S318-F334 WeakPolarHBondContact OG-CD1 3.38Å; S318-F334 VanDerWaalsContact OG-CG 3.3Å; S318-F334 WeakPolarHBondContact OG-CG 3.32Å; S318-S355 PolarHBondContact N-O 3.15Å
319	E	90.3	Very high	83.5	Confident	3 Å²	3	29.2 Å²	29.2	1%	0.014	17%	0.171	C	C	.	.			trans	-86.5	123.9	146.3	-75.2	156.5	-119	0	0	106.4	R199 Y208 F211 S237 T240 L242 Y321	R199-E319 IonicContact CZ-OE2 2.9Å; R199-E319 IonicContact NH1-OE2 3.2Å; R199-E319 IonicContact NH2-OE2 2.63Å; R199-E319 PolarHBondContact NH2-OE2 3.25Å; Y208-E319 HydrophobicContact CE2-CG 4.17Å; Y208-E319 WeakPolarHBondContact CE2-OE2 3.41Å; Y208-E319 PolarHBondContact OH-OE1 2.82Å; Y208-E319 PolarHBondContact OH-OE2 3.09Å; F211-E319 HydrophobicContact CD1-CG 4.4Å; F211-E319 HydrophobicContact CE1-CG 3.26Å; F211-E319 HydrophobicContact CZ-CG 3.39Å; S237-E319 VanDerWaalsContact CB-O 3.24Å; S237-E319 WeakPolarHBondContact CB-O 3.34Å; S237-E319 WeakPolarHBondContact OG-CB 3.37Å; S237-E319 PolarHBondContact OG-O 3.01Å; T240-E319 WeakPolarHBondContact CB-OE1 3.34Å; T240-E319 WeakPolarHBondContact CB-OE2 3.17Å; T240-E319 PolarHBondContact OG1-OE1 2.97Å; T240-E319 PolarHBondContact OG1-OE2 2.81Å; L242-E319 WeakPolarHBondContact CB-OE1 3.24Å; L242-E319 HydrophobicContact CD2-CG 4.13Å; L242-E319 WeakPolarHBondContact CD2-OE1 3.19Å; E319-Y321 PolarHBondContact O-N 2.96Å
320	P	87.3	Confident	85.5	Confident	9 Å²	9	29.1 Å²	29.1	6%	0.058	17%	0.167	C	C	.	.	S	Bend	trans	-72.2	71.4	179.2	30.2	-34.9	0	0	0	109	S331 F334 W471 Y473	P320-S331 WeakPolarHBondContact O-CB 3.41Å; P320-S331 PolarHBondContact O-OG 2.99Å; P320-F334 HydrophobicContact CB-CE1 4.32Å; P320-W471 HydrophobicContact CB-CD2 3.71Å; P320-W471 HydrophobicContact CB-CE3 4.24Å; P320-W471 HydrophobicContact CB-CG 4.17Å; P320-W471 HydrophobicContact CB-CH2 4.07Å; P320-W471 HydrophobicContact CB-CZ2 3.53Å; P320-W471 HydrophobicContact CB-CZ3 4.4Å; P320-W471 HydrophobicContact CG-CB 4.36Å; P320-W471 VanDerWaalsContact CG-CD1 3.43Å; P320-W471 HydrophobicContact CG-CD2 3.71Å; P320-W471 HydrophobicContact CG-CG 3.6Å; P320-W471 HydrophobicContact CG-CZ2 4.33Å; P320-Y473 WeakPolarHBondContact CD-OH 3.45Å
321	Y	94.1	Very high	87.2	Confident	15 Å²	15	24.2 Å²	24.2	6%	0.059	14%	0.137	C	C	.	.			trans	-143.4	126.1	175	-176.5	-87.6	0	0	0	108.8	R199 S237 D238 C239 E319 T509	R199-Y321 HydrophobicContact CB-CE2 4.21Å; R199-Y321 HydrophobicContact CG-CE1 3.92Å; R199-Y321 HydrophobicContact CG-CE2 4.16Å; S237-Y321 WeakPolarHBondContact CA-O 2.97Å; S237-Y321 PolarHBondContact OG-O 2.95Å; D238-Y321 HydrophobicContact CB-CD1 4.4Å; D238-Y321 HydrophobicContact CB-CE1 4.46Å; D238-Y321 PolarHBondContact N-O 3.12Å; D238-Y321 VanDerWaalsContact N-O 3.13Å; D238-Y321 VanDerWaalsContact O-CD1 3.27Å; D238-Y321 WeakPolarHBondContact O-CD1 3.2Å; C239-Y321 HydrophobicContact CB-CD1 4.49Å; C239-Y321 HydrophobicContact CB-CE1 3.9Å; E319-Y321 PolarHBondContact O-N 2.96Å; Y321-T509 HydrophobicContact CD2-CG2 4.27Å; Y321-T509 HydrophobicContact CE2-CG2 4.31Å
322	I	93.6	Very high	88.7	Confident	16 Å²	16	20.2 Å²	20.2	8%	0.082	12%	0.119	C	C	.	.			trans	-130.3	144	167.5	-173	172.5	0	0	0	106.9	D238 T264 S324 S325 Y333	D238-I322 VanDerWaalsContact OD2-CG1 3.25Å; D238-I322 WeakPolarHBondContact OD2-CG1 3.2Å; T264-I322 HydrophobicContact CG2-CD1 4.46Å; T264-I322 WeakPolarHBondContact OG1-CD1 3.29Å; T264-I322 WeakPolarHBondContact OG1-CG1 3.19Å; I322-S324 PolarHBondContact O-N 3.29Å; I322-S325 WeakPolarHBondContact CG2-OG 3.44Å; I322-S325 WeakPolarHBondContact O-CB 3.35Å; I322-S325 PolarHBondContact O-N 3.26Å; I322-S325 VanDerWaalsContact O-N 3.09Å; I322-S325 PolarHBondContact O-OG 3.1Å; I322-Y333 HydrophobicContact CD1-CD1 4.09Å; I322-Y333 HydrophobicContact CD1-CD2 4.44Å; I322-Y333 HydrophobicContact CD1-CG 3.87Å
323	S	92.6	Very high	89.9	Confident	48 Å²	48	23.5 Å²	23.5	34%	0.336	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.8	-173.1	58.9	0	0	0	0	113	D238	D238-S323 VanDerWaalsContact OD2-CB 3.26Å; D238-S323 WeakPolarHBondContact OD2-CB 3.36Å; D238-S323 PolarHBondContact OD2-N 3.09Å; D238-S323 PolarHBondContact OD2-OG 3.27Å
324	S	91.4	Very high	90.7	Very high	88 Å²	88	23.1 Å²	23.1	62%	0.615	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-1.9	176.8	63.2	0	0	0	0	114.5	I322 I326	I322-S324 PolarHBondContact O-N 3.29Å; S324-I326 PolarHBondContact O-N 2.88Å
325	S	90.8	Very high	91.1	Very high	22 Å²	22	23.2 Å²	23.2	15%	0.154	13%	0.129	C	C	.	.			trans	-64.6	129.7	179.6	-75.8	0	0	0	0	111.5	I322 S331	I322-S325 WeakPolarHBondContact CG2-OG 3.44Å; I322-S325 WeakPolarHBondContact O-CB 3.35Å; I322-S325 PolarHBondContact O-N 3.26Å; I322-S325 VanDerWaalsContact O-N 3.09Å; I322-S325 PolarHBondContact O-OG 3.1Å; S325-S331 PolarHBondContact OG-N 3.5Å; S325-S331 PolarHBondContact OG-OG 2.96Å
326	I	91.5	Very high	91.2	Very high	108 Å²	108	25.9 Å²	25.9	55%	0.554	14%	0.139	S	C	*	.	S	Bend	trans	-97.3	-43.4	171.6	-61.2	178.5	0	0	0	109	S324 D330 P407	S324-I326 PolarHBondContact O-N 2.88Å; I326-D330 PolarHBondContact N-OD2 3.16Å; I326-P407 HydrophobicContact CG2-CB 4.08Å; I326-P407 HydrophobicContact CG2-CG 3.62Å; I326-P407 WeakPolarHBondContact O-CB 3.33Å
327	L	93.1	Very high	91	Very high	22 Å²	22	26 Å²	26	12%	0.115	14%	0.141	C	C	.	.	S	Bend	trans	-112	159.7	-179.6	-67.6	164.3	0	0	0	111.5	W329 D330 I405 P407	L327-W329 HydrophobicContact CB-CD2 4.29Å; L327-W329 HydrophobicContact CB-CZ2 4.08Å; L327-W329 HydrophobicContact CD1-CZ2 3.73Å; L327-W329 HydrophobicContact CD2-CZ2 4.31Å; L327-W329 HydrophobicContact CG-CZ2 4.26Å; L327-W329 PolarHBondContact O-N 2.9Å; L327-W329 VanDerWaalsContact O-N 3.11Å; L327-D330 PolarHBondContact N-OD2 2.98Å; L327-D330 WeakPolarHBondContact O-CB 3.2Å; L327-D330 PolarHBondContact O-N 3.41Å; L327-I405 HydrophobicContact CD1-CB 4.36Å; L327-I405 HydrophobicContact CD1-CG2 4.18Å; L327-I405 HydrophobicContact CD2-CG2 3.74Å; L327-P407 HydrophobicContact CD2-CB 4.14Å
328	P	90.6	Very high	90.7	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.2	-173.7	-27.4	37.4	0	0	0	115.3	C469 A490 Q510	P328-C469 HydrophobicContact CB-CB 4.2Å; P328-C469 WeakPolarHBondContact CB-SG 3.29Å; P328-C469 PolarHBondContact O-SG 2.9Å; P328-C469 VanDerWaalsContact O-SG 3.36Å; P328-A490 HydrophobicContact CB-CB 4.28Å; P328-A490 HydrophobicContact CG-CB 3.98Å; P328-Q510 WeakPolarHBondContact CD-O 3.36Å; P328-Q510 WeakPolarHBondContact CG-O 3.47Å
329	W	91.1	Very high	90.2	Very high	7 Å²	7	26.9 Å²	26.9	3%	0.027	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-9	-177.8	48.1	71	0	0	0	114.3	L327 S331 L332 I361 I405 L467 M536 L545	L327-W329 HydrophobicContact CB-CD2 4.29Å; L327-W329 HydrophobicContact CB-CZ2 4.08Å; L327-W329 HydrophobicContact CD1-CZ2 3.73Å; L327-W329 HydrophobicContact CD2-CZ2 4.31Å; L327-W329 HydrophobicContact CG-CZ2 4.26Å; L327-W329 PolarHBondContact O-N 2.9Å; L327-W329 VanDerWaalsContact O-N 3.11Å; W329-S331 PolarHBondContact O-N 3.15Å; W329-S331 VanDerWaalsContact O-N 3.09Å; W329-L332 WeakPolarHBondContact O-CG 3.27Å; W329-L332 PolarHBondContact O-N 3.29Å; W329-I361 HydrophobicContact CB-CD1 3.84Å; W329-I361 HydrophobicContact CB-CG1 4.45Å; W329-I361 HydrophobicContact CD2-CD1 3.78Å; W329-I361 HydrophobicContact CD2-CG1 4.48Å; W329-I361 HydrophobicContact CE3-CD1 3.72Å; W329-I361 HydrophobicContact CE3-CG1 3.96Å; W329-I361 HydrophobicContact CE3-CG2 3.76Å; W329-I361 HydrophobicContact CG-CD1 3.87Å; W329-I361 HydrophobicContact CH2-CG2 4.4Å; W329-I361 HydrophobicContact CZ3-CG2 3.59Å; W329-I405 HydrophobicContact CH2-CG2 4.25Å; W329-I405 HydrophobicContact CZ2-CG2 4.28Å; W329-L467 HydrophobicContact CH2-CB 3.83Å; W329-L467 HydrophobicContact CH2-CD2 4.11Å; W329-L467 HydrophobicContact CZ3-CB 3.89Å; W329-M536 HydrophobicContact CH2-CE 3.87Å; W329-M536 HydrophobicContact CZ2-CE 3.67Å; W329-L545 HydrophobicContact CB-CD1 3.58Å; W329-L545 HydrophobicContact CD2-CD1 4.27Å; W329-L545 HydrophobicContact CG-CD1 3.4Å; W329-L545 VanDerWaalsContact CG-CD1 3.4Å
330	D	91	Very high	89.9	Confident	61 Å²	61	29 Å²	29	33%	0.326	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-63	-18.2	177.6	-63.8	-13.6	0	0	0	112.1	I326 L327 L332	I326-D330 PolarHBondContact N-OD2 3.16Å; L327-D330 PolarHBondContact N-OD2 2.98Å; L327-D330 WeakPolarHBondContact O-CB 3.2Å; L327-D330 PolarHBondContact O-N 3.41Å; D330-L332 PolarHBondContact O-N 3.21Å
331	S	90.6	Very high	89.6	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.014	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-67.5	7.6	175.2	-53	0	0	0	0	115.2	P320 S325 W329 Y333 F334	P320-S331 WeakPolarHBondContact O-CB 3.41Å; P320-S331 PolarHBondContact O-OG 2.99Å; S325-S331 PolarHBondContact OG-N 3.5Å; S325-S331 PolarHBondContact OG-OG 2.96Å; W329-S331 PolarHBondContact O-N 3.15Å; W329-S331 VanDerWaalsContact O-N 3.09Å; S331-Y333 PolarHBondContact O-N 3.34Å; S331-Y333 VanDerWaalsContact O-N 3.07Å; S331-F334 WeakPolarHBondContact O-CD1 3.3Å; S331-F334 WeakPolarHBondContact O-CE1 3.33Å
332	L	89.9	Confident	88.7	Confident	5 Å²	5	29.6 Å²	29.6	3%	0.026	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-64.1	-3.9	175	-82	172.2	0	0	0	114.4	W329 D330 F334 W335 Y336 L359 M427 W471 F538 L545	W329-L332 WeakPolarHBondContact O-CG 3.27Å; W329-L332 PolarHBondContact O-N 3.29Å; D330-L332 PolarHBondContact O-N 3.21Å; L332-F334 PolarHBondContact O-N 3.2Å; L332-F334 VanDerWaalsContact O-N 3.16Å; L332-W335 WeakPolarHBondContact O-CB 3.12Å; L332-W335 PolarHBondContact O-N 3.49Å; L332-Y336 PolarHBondContact O-N 3.3Å; L332-L359 HydrophobicContact CD1-CD2 3.94Å; L332-L359 HydrophobicContact CD2-CD2 3.79Å; L332-L359 HydrophobicContact CG-CD2 4.01Å; L332-M427 HydrophobicContact CD2-SD 4.1Å; L332-W471 HydrophobicContact CD2-CH2 3.76Å; L332-W471 HydrophobicContact CD2-CZ3 3.96Å; L332-W471 HydrophobicContact CG-CH2 4.04Å; L332-F538 HydrophobicContact CD1-CE2 3.94Å; L332-F538 HydrophobicContact CD1-CZ 4.06Å; L332-L545 HydrophobicContact CD1-CD1 4.29Å
333	Y	89.7	Confident	87.9	Confident	70 Å²	70	32.8 Å²	32.8	28%	0.275	18%	0.183	S	C	.	.	H	α-helix	trans	-49.4	-40.3	177.4	176.6	-103	0	0	0	113.8	V236 L262 T264 I322 S331 W335 Y336 A337	V236-Y333 HydrophobicContact CG1-CD1 3.83Å; V236-Y333 HydrophobicContact CG1-CE1 3.85Å; L262-Y333 HydrophobicContact CD2-CE1 3.95Å; L262-Y333 HydrophobicContact CG-CE1 4.35Å; T264-Y333 HydrophobicContact CG2-CD1 4.17Å; T264-Y333 HydrophobicContact CG2-CE1 3.45Å; T264-Y333 VanDerWaalsContact CG2-CE1 3.45Å; T264-Y333 HydrophobicContact CG2-CE2 4.47Å; I322-Y333 HydrophobicContact CD1-CD1 4.09Å; I322-Y333 HydrophobicContact CD1-CD2 4.44Å; I322-Y333 HydrophobicContact CD1-CG 3.87Å; S331-Y333 PolarHBondContact O-N 3.34Å; S331-Y333 VanDerWaalsContact O-N 3.07Å; Y333-W335 PolarHBondContact O-N 3.48Å; Y333-Y336 WeakPolarHBondContact O-CB 3.4Å; Y333-Y336 PolarHBondContact O-N 3.04Å; Y333-A337 PolarHBondContact O-N 3.28Å
334	F	91.3	Very high	86.9	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.009	19%	0.192	C	C	.	.	H	α-helix	trans	-59.5	-31.6	178.6	75.1	-91.5	0	0	0	112.8	V236 L316 S318 P320 S331 L332 A337 F338 L353 P356 L429 W471	V236-F334 HydrophobicContact CB-CB 3.87Å; V236-F334 HydrophobicContact CG1-CB 3.83Å; L316-F334 HydrophobicContact CD2-CB 4.43Å; L316-F334 HydrophobicContact CD2-CD2 4.31Å; S318-F334 VanDerWaalsContact CB-CG 3.44Å; S318-F334 VanDerWaalsContact OG-CB 3.29Å; S318-F334 WeakPolarHBondContact OG-CB 3.04Å; S318-F334 WeakPolarHBondContact OG-CD1 3.38Å; S318-F334 VanDerWaalsContact OG-CG 3.3Å; S318-F334 WeakPolarHBondContact OG-CG 3.32Å; P320-F334 HydrophobicContact CB-CE1 4.32Å; S331-F334 WeakPolarHBondContact O-CD1 3.3Å; S331-F334 WeakPolarHBondContact O-CE1 3.33Å; L332-F334 PolarHBondContact O-N 3.2Å; L332-F334 VanDerWaalsContact O-N 3.16Å; F334-A337 PolarHBondContact O-N 2.72Å; F334-F338 WeakPolarHBondContact O-CB 3.47Å; F334-F338 PolarHBondContact O-N 3.48Å; F334-L353 HydrophobicContact CD2-CD1 4.03Å; F334-L353 HydrophobicContact CE2-CD1 4.09Å; F334-L353 HydrophobicContact CE2-CD2 4.28Å; F334-P356 HydrophobicContact CE1-CG 3.85Å; F334-P356 HydrophobicContact CE2-CG 3.86Å; F334-P356 HydrophobicContact CZ-CG 3.38Å; F334-L429 HydrophobicContact CE2-CD1 3.94Å; F334-L429 HydrophobicContact CZ-CD1 3.64Å; F334-W471 HydrophobicContact CE1-CE3 4.4Å; F334-W471 AromaticContact CE1-CH2 3.92Å; F334-W471 HydrophobicContact CE1-CH2 3.92Å; F334-W471 AromaticContact CE1-CZ3 3.67Å; F334-W471 HydrophobicContact CE1-CZ3 3.67Å; F334-W471 HydrophobicContact CZ-CE3 4.35Å; F334-W471 HydrophobicContact CZ-CH2 4.39Å; F334-W471 AromaticContact CZ-CZ3 3.72Å; F334-W471 HydrophobicContact CZ-CZ3 3.72Å
335	W	89.3	Confident	85.6	Confident	4 Å²	4	33.2 Å²	33.2	2%	0.015	17%	0.171	C	C	.	.	H	α-helix	trans	-71.4	-40.4	177.4	173.9	71.7	0	0	0	110.6	L332 Y333 A337 F338 Q339 M427 L429 F538 I540	L332-W335 WeakPolarHBondContact O-CB 3.12Å; L332-W335 PolarHBondContact O-N 3.49Å; Y333-W335 PolarHBondContact O-N 3.48Å; W335-A337 VanDerWaalsContact C-N 3.35Å; W335-A337 PolarHBondContact O-N 3.09Å; W335-F338 WeakPolarHBondContact O-CB 3.41Å; W335-F338 PolarHBondContact O-N 3.37Å; W335-Q339 HydrophobicContact CD2-CG 4.28Å; W335-Q339 HydrophobicContact CZ2-CG 4.18Å; W335-Q339 VanDerWaalsContact NE1-NE2 3.15Å; W335-Q339 WeakPolarHBondContact O-CG 3.34Å; W335-Q339 PolarHBondContact O-N 2.85Å; W335-M427 HydrophobicContact CD2-CE 3.49Å; W335-M427 VanDerWaalsContact CD2-CE 3.49Å; W335-M427 HydrophobicContact CE3-CE 3.68Å; W335-M427 HydrophobicContact CG-CE 4.23Å; W335-M427 HydrophobicContact CH2-CE 3.35Å; W335-M427 HydrophobicContact CZ2-CE 3.19Å; W335-M427 HydrophobicContact CZ3-CE 3.62Å; W335-L429 HydrophobicContact CB-CD2 4.3Å; W335-L429 HydrophobicContact CD2-CD2 4.44Å; W335-L429 HydrophobicContact CG-CD2 3.85Å; W335-F538 HydrophobicContact CE3-CZ 4.49Å; W335-F538 HydrophobicContact CH2-CE1 4.02Å; W335-F538 AromaticContact CZ3-CE1 3.7Å; W335-F538 HydrophobicContact CZ3-CE1 3.7Å; W335-F538 AromaticContact CZ3-CZ 3.84Å; W335-F538 HydrophobicContact CZ3-CZ 3.84Å; W335-I540 HydrophobicContact CH2-CD1 3.51Å; W335-I540 HydrophobicContact CH2-CG1 3.62Å; W335-I540 HydrophobicContact CZ2-CD1 4.3Å; W335-I540 HydrophobicContact CZ3-CD1 4.4Å; W335-I540 HydrophobicContact CZ3-CG1 4.02Å
336	Y	88.1	Confident	84	Confident	58 Å²	58	37.8 Å²	37.8	23%	0.227	20%	0.2	C	C	.	.	H	α-helix	trans	-60.9	-43.1	171	-72.7	-76.6	0	0	0	112.1	L332 Y333 F338 Q339 N340 F538 I540 G543	L332-Y336 PolarHBondContact O-N 3.3Å; Y333-Y336 WeakPolarHBondContact O-CB 3.4Å; Y333-Y336 PolarHBondContact O-N 3.04Å; Y336-F338 VanDerWaalsContact C-N 3.33Å; Y336-F338 PolarHBondContact O-N 3.3Å; Y336-Q339 PolarHBondContact O-N 2.87Å; Y336-N340 WeakPolarHBondContact O-CB 3.46Å; Y336-N340 PolarHBondContact O-N 2.72Å; Y336-F538 HydrophobicContact CE2-CZ 4.4Å; Y336-F538 WeakPolarHBondContact OH-CZ 3.31Å; Y336-I540 VanDerWaalsContact CE1-O 3.31Å; Y336-I540 WeakPolarHBondContact CE1-O 3.42Å; Y336-I540 PolarHBondContact OH-O 2.89Å; Y336-G543 WeakPolarHBondContact OH-CA 3.44Å; Y336-G543 PolarHBondContact OH-N 2.73Å
337	A	88.8	Confident	82	Confident	4 Å²	4	36 Å²	36	3%	0.033	20%	0.201	C	C	.	.	H	α-helix	trans	-59.1	-44.8	173.6	0	0	0	0	0	111.3	V236 L262 I292 Y333 F334 W335 N340 L341	V236-A337 HydrophobicContact CG1-CB 4.26Å; V236-A337 HydrophobicContact CG2-CB 4.38Å; L262-A337 HydrophobicContact CD2-CB 4.21Å; I292-A337 HydrophobicContact CD1-CB 4.09Å; Y333-A337 PolarHBondContact O-N 3.28Å; F334-A337 PolarHBondContact O-N 2.72Å; W335-A337 VanDerWaalsContact C-N 3.35Å; W335-A337 PolarHBondContact O-N 3.09Å; A337-N340 PolarHBondContact O-N 3.35Å; A337-L341 VanDerWaalsContact O-CG 3.31Å; A337-L341 WeakPolarHBondContact O-CG 3.26Å; A337-L341 PolarHBondContact O-N 3.1Å
338	F	86.2	Confident	80.4	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.5	-47.2	175.5	-176	-111.1	0	0	0	112.7	L316 F334 W335 Y336 N340 L341 L342 L351 L353	L316-F338 HydrophobicContact CB-CD2 4.24Å; L316-F338 HydrophobicContact CD1-CB 3.92Å; L316-F338 HydrophobicContact CD1-CD2 4.04Å; L316-F338 HydrophobicContact CD1-CG 4.48Å; F334-F338 WeakPolarHBondContact O-CB 3.47Å; F334-F338 PolarHBondContact O-N 3.48Å; W335-F338 WeakPolarHBondContact O-CB 3.41Å; W335-F338 PolarHBondContact O-N 3.37Å; Y336-F338 VanDerWaalsContact C-N 3.33Å; Y336-F338 PolarHBondContact O-N 3.3Å; F338-N340 VanDerWaalsContact C-N 3.31Å; F338-N340 PolarHBondContact O-N 3.36Å; F338-L341 PolarHBondContact O-N 3.11Å; F338-L342 HydrophobicContact CD1-CD1 3.78Å; F338-L342 HydrophobicContact CE1-CD1 3.41Å; F338-L342 VanDerWaalsContact CE1-CD1 3.41Å; F338-L342 HydrophobicContact CE1-CG 4.23Å; F338-L342 HydrophobicContact CZ-CD1 3.9Å; F338-L342 HydrophobicContact CZ-CD2 4.44Å; F338-L342 HydrophobicContact CZ-CG 4.29Å; F338-L342 WeakPolarHBondContact O-CG 3.27Å; F338-L342 PolarHBondContact O-N 2.82Å; F338-L351 HydrophobicContact CD2-CD1 4.15Å; F338-L351 HydrophobicContact CD2-CD2 4.33Å; F338-L351 HydrophobicContact CD2-CG 4.23Å; F338-L351 HydrophobicContact CE2-CD1 3.76Å; F338-L351 HydrophobicContact CE2-CD2 4.02Å; F338-L351 HydrophobicContact CE2-CG 3.56Å; F338-L351 HydrophobicContact CZ-CG 4.27Å; F338-L353 HydrophobicContact CD1-CB 4.25Å; F338-L353 HydrophobicContact CD1-CD2 4.38Å; F338-L353 HydrophobicContact CD2-CB 4Å; F338-L353 HydrophobicContact CE1-CB 3.93Å; F338-L353 HydrophobicContact CE2-CB 3.65Å; F338-L353 HydrophobicContact CG-CB 4.28Å; F338-L353 HydrophobicContact CZ-CB 3.63Å
339	Q	82.4	Confident	78.6	Confident	19 Å²	19	39.3 Å²	39.3	9%	0.089	22%	0.224	C	C	.	.	H	α-helix	trans	-63.4	-38.2	177.8	-66.8	-55.9	-35.7	0	0	112.1	W335 Y336 L342 S343	W335-Q339 HydrophobicContact CD2-CG 4.28Å; W335-Q339 HydrophobicContact CZ2-CG 4.18Å; W335-Q339 VanDerWaalsContact NE1-NE2 3.15Å; W335-Q339 WeakPolarHBondContact O-CG 3.34Å; W335-Q339 PolarHBondContact O-N 2.85Å; Y336-Q339 PolarHBondContact O-N 2.87Å; Q339-L342 PolarHBondContact O-N 2.97Å; Q339-S343 PolarHBondContact O-N 3.41Å; Q339-S343 PolarHBondContact O-OG 2.9Å
340	N	84	Confident	77.4	Confident	48 Å²	48	39.4 Å²	39.4	26%	0.257	23%	0.225	S	C	.	.	H	α-helix	trans	-66.2	-40	177.7	-161.9	-28.7	0	0	0	111.3	I292 Y336 A337 F338 S343 H344	I292-N340 HydrophobicContact CG1-CB 4.25Å; Y336-N340 WeakPolarHBondContact O-CB 3.46Å; Y336-N340 PolarHBondContact O-N 2.72Å; A337-N340 PolarHBondContact O-N 3.35Å; F338-N340 VanDerWaalsContact C-N 3.31Å; F338-N340 PolarHBondContact O-N 3.36Å; N340-S343 PolarHBondContact O-N 2.74Å; N340-S343 PolarHBondContact O-OG 2.81Å; N340-H344 PolarHBondContact O-N 3.47Å; N340-H344 PolarHBondContact O-ND1 3.31Å; N340-H344 PolarHBondContact OD1-CE1 2.65Å; N340-H344 PolarHBondContact OD1-ND1 2.81Å
341	L	80.6	Confident	76.6	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-61.8	-42.8	172.5	-67.5	165.9	0	0	0	112.3	L234 I292 V295 F296 M299 L316 A337 F338 N345 L351	L234-L341 HydrophobicContact CD2-CD1 3.46Å; L234-L341 VanDerWaalsContact CD2-CD1 3.46Å; I292-L341 HydrophobicContact CD1-CD1 4.43Å; I292-L341 HydrophobicContact CD1-CD2 3.96Å; I292-L341 HydrophobicContact CD1-CG 3.98Å; V295-L341 HydrophobicContact CG1-CD2 4.17Å; F296-L341 HydrophobicContact CD1-CD2 4.16Å; F296-L341 HydrophobicContact CE1-CD2 3.56Å; F296-L341 HydrophobicContact CZ-CD2 3.98Å; M299-L341 HydrophobicContact SD-CD2 4.45Å; L316-L341 HydrophobicContact CD1-CD1 3.98Å; A337-L341 VanDerWaalsContact O-CG 3.31Å; A337-L341 WeakPolarHBondContact O-CG 3.26Å; A337-L341 PolarHBondContact O-N 3.1Å; F338-L341 PolarHBondContact O-N 3.11Å; L341-N345 PolarHBondContact O-N 2.86Å; L341-L351 HydrophobicContact CB-CD2 3.79Å
342	L	76.7	Confident	76.1	Confident	33 Å²	33	40.4 Å²	40.4	17%	0.173	23%	0.225	C	C	.	.	H	α-helix	trans	-62	-44	177	-74.6	170.7	0	0	0	112	F338 Q339 N345 L351 L435	F338-L342 HydrophobicContact CD1-CD1 3.78Å; F338-L342 HydrophobicContact CE1-CD1 3.41Å; F338-L342 VanDerWaalsContact CE1-CD1 3.41Å; F338-L342 HydrophobicContact CE1-CG 4.23Å; F338-L342 HydrophobicContact CZ-CD1 3.9Å; F338-L342 HydrophobicContact CZ-CD2 4.44Å; F338-L342 HydrophobicContact CZ-CG 4.29Å; F338-L342 WeakPolarHBondContact O-CG 3.27Å; F338-L342 PolarHBondContact O-N 2.82Å; Q339-L342 PolarHBondContact O-N 2.97Å; L342-N345 CarbonylContact O-C 3.56Å; L342-N345 PolarHBondContact O-N 2.87Å; L342-L351 HydrophobicContact CD2-CB 4.44Å; L342-L351 HydrophobicContact CD2-CD2 3.62Å; L342-L351 HydrophobicContact CD2-CG 4.16Å; L342-L351 HydrophobicContact CG-CD2 3.79Å; L342-L435 HydrophobicContact CD1-CD1 3.93Å
343	S	75.4	Confident	75.8	Confident	82 Å²	82	40.1 Å²	40.1	57%	0.573	22%	0.224	S	C	*	.	H	α-helix	trans	-70.2	-36	-175.4	66.7	0	0	0	0	113.4	Q339 N340 N345	Q339-S343 PolarHBondContact O-N 3.41Å; Q339-S343 PolarHBondContact O-OG 2.9Å; N340-S343 PolarHBondContact O-N 2.74Å; N340-S343 PolarHBondContact O-OG 2.81Å; S343-N345 VanDerWaalsContact C-N 3.33Å
344	H	71.9	Confident	75.6	Confident	111 Å²	111	37.6 Å²	37.6	51%	0.514	21%	0.214	S	C	.	.	H	α-helix	trans	-76.4	-22.1	179.6	-76.3	78.8	0	0	0	113.2	F296 N340	F296-H344 HydrophobicContact CE1-CB 3.66Å; F296-H344 HydrophobicContact CE2-CB 4.31Å; F296-H344 AromaticContact CE2-CG 3.84Å; F296-H344 AromaticContact CE2-ND1 3.79Å; F296-H344 HydrophobicContact CZ-CB 3.56Å; F296-H344 AromaticContact CZ-CG 3.52Å; F296-H344 AromaticContact CZ-ND1 3.56Å; N340-H344 PolarHBondContact O-N 3.47Å; N340-H344 PolarHBondContact O-ND1 3.31Å; N340-H344 PolarHBondContact OD1-CE1 2.65Å; N340-H344 PolarHBondContact OD1-ND1 2.81Å
345	N	64.8	Low	75.3	Confident	34 Å²	34	37.5 Å²	37.5	18%	0.182	21%	0.213	C	C	.	.			trans	-143.2	68.3	-171.3	-62.9	-68.5	0	0	0	112	F296 F304 L341 L342 S343 A347 Y348	F296-N345 WeakPolarHBondContact CE1-ND2 3.38Å; F304-N345 HydrophobicContact CE1-CB 4.11Å; F304-N345 VanDerWaalsContact CE1-CG 3.44Å; F304-N345 WeakPolarHBondContact CE1-OD1 3.33Å; F304-N345 HydrophobicContact CZ-CB 4.43Å; F304-N345 WeakPolarHBondContact CZ-OD1 3.26Å; L341-N345 PolarHBondContact O-N 2.86Å; L342-N345 CarbonylContact O-C 3.56Å; L342-N345 PolarHBondContact O-N 2.87Å; S343-N345 VanDerWaalsContact C-N 3.33Å; N345-A347 PolarHBondContact O-N 3.38Å; N345-Y348 HydrophobicContact CB-CD2 3.32Å; N345-Y348 HydrophobicContact CB-CE2 3.37Å; N345-Y348 WeakPolarHBondContact O-CD2 3.2Å; N345-Y348 PolarHBondContact O-N 2.82Å; N345-Y348 VanDerWaalsContact O-N 3.14Å
346	P	57.7	Low	75.4	Confident	119 Å²	119	37.3 Å²	37.3	77%	0.773	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-12	176.8	24.3	-33	0	0	0	113.3	Y348	P346-Y348 VanDerWaalsContact C-N 3.28Å; P346-Y348 PolarHBondContact O-N 3.01Å
347	A	49.8	Very low	75.3	Confident	69 Å²	69	35.6 Å²	35.6	57%	0.57	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-9.8	176.4	0	0	0	0	0	114.5	N345 S349	N345-A347 PolarHBondContact O-N 3.38Å; A347-S349 PolarHBondContact O-N 3.31Å
348	Y	58.4	Low	75.3	Confident	20 Å²	20	38.6 Å²	38.6	8%	0.078	22%	0.219	C	C	.	.			trans	-71.6	97.2	172	-77.3	-68.1	0	0	0	110.5	I303 F304 N345 P346 S350 L351	I303-Y348 HydrophobicContact CG2-CE1 3.77Å; I303-Y348 WeakPolarHBondContact CG2-OH 3.3Å; F304-Y348 AromaticContact CE1-CE2 3.67Å; F304-Y348 HydrophobicContact CE1-CE2 3.67Å; F304-Y348 AromaticContact CE1-CZ 3.69Å; F304-Y348 WeakPolarHBondContact CE1-OH 3.46Å; F304-Y348 WeakPolarHBondContact CE2-OH 3.42Å; F304-Y348 AromaticContact CZ-CE2 3.58Å; F304-Y348 HydrophobicContact CZ-CE2 3.58Å; F304-Y348 AromaticContact CZ-CZ 3.55Å; F304-Y348 WeakPolarHBondContact CZ-OH 3.39Å; N345-Y348 HydrophobicContact CB-CD2 3.32Å; N345-Y348 HydrophobicContact CB-CE2 3.37Å; N345-Y348 WeakPolarHBondContact O-CD2 3.2Å; N345-Y348 PolarHBondContact O-N 2.82Å; N345-Y348 VanDerWaalsContact O-N 3.14Å; P346-Y348 VanDerWaalsContact C-N 3.28Å; P346-Y348 PolarHBondContact O-N 3.01Å; Y348-S350 PolarHBondContact O-N 3.32Å; Y348-S350 VanDerWaalsContact O-N 3.14Å; Y348-L351 HydrophobicContact CG-CB 4.44Å
349	S	53.7	Low	75.6	Confident	74 Å²	74	38.6 Å²	38.6	52%	0.517	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-4.5	166.6	49.9	0	0	0	0	113.5	A347	A347-S349 PolarHBondContact O-N 3.31Å
350	S	64.4	Low	76.2	Confident	9 Å²	9	40.3 Å²	40.3	6%	0.063	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.7	30.5	-162.7	49.6	0	0	0	0	113.9	S312 L314 Y348 Y352	S312-S350 PolarHBondContact O-OG 3.06Å; L314-S350 PolarHBondContact N-O 2.81Å; L314-S350 VanDerWaalsContact N-O 3.09Å; Y348-S350 PolarHBondContact O-N 3.32Å; Y348-S350 VanDerWaalsContact O-N 3.14Å; S350-Y352 VanDerWaalsContact CA-CE2 3.48Å; S350-Y352 VanDerWaalsContact O-CD2 3.23Å; S350-Y352 WeakPolarHBondContact O-CD2 3.41Å; S350-Y352 WeakPolarHBondContact O-CE2 3.46Å
351	L	75.4	Confident	76.7	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	116.6	167.5	171	55.2	0	0	0	109.8	L314 F338 L341 L342 Y348 S432	L314-L351 HydrophobicContact CB-CD1 4.16Å; L314-L351 HydrophobicContact CD2-CD1 3.87Å; L314-L351 HydrophobicContact CG-CD1 3.8Å; L314-L351 WeakPolarHBondContact O-CA 3.37Å; F338-L351 HydrophobicContact CD2-CD1 4.15Å; F338-L351 HydrophobicContact CD2-CD2 4.33Å; F338-L351 HydrophobicContact CD2-CG 4.23Å; F338-L351 HydrophobicContact CE2-CD1 3.76Å; F338-L351 HydrophobicContact CE2-CD2 4.02Å; F338-L351 HydrophobicContact CE2-CG 3.56Å; F338-L351 HydrophobicContact CZ-CG 4.27Å; L341-L351 HydrophobicContact CB-CD2 3.79Å; L342-L351 HydrophobicContact CD2-CB 4.44Å; L342-L351 HydrophobicContact CD2-CD2 3.62Å; L342-L351 HydrophobicContact CD2-CG 4.16Å; L342-L351 HydrophobicContact CG-CD2 3.79Å; Y348-L351 HydrophobicContact CG-CB 4.44Å; L351-S432 VanDerWaalsContact O-CB 3.24Å; L351-S432 WeakPolarHBondContact O-CB 3.24Å; L351-S432 PolarHBondContact O-OG 3.04Å
352	Y	79.1	Confident	77.4	Confident	83 Å²	83	39.2 Å²	39.2	33%	0.325	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.6	-177.7	-60.6	-80.6	0	0	0	111.4	T313 L314 L316 S350 F354 N431	T313-Y352 HydrophobicContact CG2-CD2 3.73Å; T313-Y352 HydrophobicContact CG2-CE2 3.88Å; L314-Y352 PolarHBondContact O-N 3.04Å; L316-Y352 PolarHBondContact N-O 3Å; S350-Y352 VanDerWaalsContact CA-CE2 3.48Å; S350-Y352 VanDerWaalsContact O-CD2 3.23Å; S350-Y352 WeakPolarHBondContact O-CD2 3.41Å; S350-Y352 WeakPolarHBondContact O-CE2 3.46Å; Y352-F354 PolarHBondContact O-N 3.23Å; Y352-N431 HydrophobicContact CD1-CB 4.42Å
353	L	84.7	Confident	78.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	94.7	163.4	177.6	60	0	0	0	107.3	L316 F334 F338 P356 L429 N431	L316-L353 HydrophobicContact CB-CD1 4.43Å; L316-L353 HydrophobicContact CD2-CD1 3.61Å; F334-L353 HydrophobicContact CD2-CD1 4.03Å; F334-L353 HydrophobicContact CE2-CD1 4.09Å; F334-L353 HydrophobicContact CE2-CD2 4.28Å; F338-L353 HydrophobicContact CD1-CB 4.25Å; F338-L353 HydrophobicContact CD1-CD2 4.38Å; F338-L353 HydrophobicContact CD2-CB 4Å; F338-L353 HydrophobicContact CE1-CB 3.93Å; F338-L353 HydrophobicContact CE2-CB 3.65Å; F338-L353 HydrophobicContact CG-CB 4.28Å; F338-L353 HydrophobicContact CZ-CB 3.63Å; L353-P356 WeakPolarHBondContact CD2-O 3.44Å; L353-L429 HydrophobicContact CD2-CB 3.58Å; L353-N431 WeakPolarHBondContact CA-OD1 3.33Å; L353-N431 PolarHBondContact N-OD1 3.31Å; L353-N431 PolarHBondContact O-OD1 3.39Å
354	F	84	Confident	79.3	Confident	16 Å²	16	34 Å²	34	7%	0.07	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	-46.7	-175.5	-168.7	-107.2	0	0	0	111.6	I215 L219 V222 I315 L316 I317 Y352	I215-F354 HydrophobicContact CD1-CE1 4.39Å; L219-F354 HydrophobicContact CB-CZ 4.4Å; V222-F354 HydrophobicContact CG2-CE2 3.83Å; I315-F354 HydrophobicContact CG2-CB 3.45Å; I315-F354 VanDerWaalsContact CG2-CB 3.45Å; I315-F354 HydrophobicContact CG2-CD2 3.85Å; I315-F354 HydrophobicContact CG2-CG 3.74Å; L316-F354 VanDerWaalsContact O-CB 3.22Å; L316-F354 WeakPolarHBondContact O-CB 3.43Å; L316-F354 PolarHBondContact O-N 3.45Å; I317-F354 HydrophobicContact CD1-CD1 4.04Å; I317-F354 HydrophobicContact CG1-CB 3.9Å; I317-F354 HydrophobicContact CG1-CD1 3.85Å; I317-F354 HydrophobicContact CG1-CG 4.14Å; Y352-F354 PolarHBondContact O-N 3.23Å
355	S	86.1	Confident	80.5	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	146.6	-177.8	-142.7	0	0	0	0	112.2	S318 Y473	S318-S355 PolarHBondContact N-O 3.15Å; S355-Y473 VanDerWaalsContact OG-CA 3.26Å; S355-Y473 WeakPolarHBondContact OG-CA 3.39Å; S355-Y473 WeakPolarHBondContact OG-CB 3.47Å; S355-Y473 WeakPolarHBondContact OG-CD1 3.39Å; S355-Y473 VanDerWaalsContact OG-CE1 3.28Å; S355-Y473 WeakPolarHBondContact OG-CE1 3.43Å; S355-Y473 VanDerWaalsContact OG-CG 3.27Å
356	P	90.6	Very high	81.9	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.			cis	-75.4	155.7	-8.1	33	-34.8	0	0	0	112.7	F334 L353 L429 W471 L472 Y473	F334-P356 HydrophobicContact CE1-CG 3.85Å; F334-P356 HydrophobicContact CE2-CG 3.86Å; F334-P356 HydrophobicContact CZ-CG 3.38Å; L353-P356 WeakPolarHBondContact CD2-O 3.44Å; P356-L429 HydrophobicContact CG-CD1 4.49Å; P356-W471 HydrophobicContact CB-CB 3.97Å; P356-W471 HydrophobicContact CB-CE3 3.97Å; P356-W471 HydrophobicContact CG-CD2 4.26Å; P356-W471 HydrophobicContact CG-CE3 3.59Å; P356-W471 HydrophobicContact CG-CZ3 4.16Å; P356-L472 CarbonylContact C-O 3.57Å; P356-L472 WeakPolarHBondContact CA-O 3.36Å; P356-L472 WeakPolarHBondContact CB-O 3.49Å; P356-Y473 HydrophobicContact CB-CE1 4.29Å; P356-Y473 HydrophobicContact CB-CE2 4.15Å
357	V	86.8	Confident	83.7	Confident	22 Å²	22	22.5 Å²	22.5	13%	0.133	12%	0.118	C	C	.	.			trans	-111.5	-7	-176.2	-62.6	0	0	0	0	114	L429 L472 N474	V357-L429 WeakPolarHBondContact O-CB 3.23Å; V357-L429 PolarHBondContact O-N 2.84Å; V357-L472 HydrophobicContact CG2-CB 4.24Å; V357-L472 HydrophobicContact CG2-CD2 4Å; V357-L472 HydrophobicContact CG2-CG 3.92Å; V357-L472 PolarHBondContact N-O 3.48Å; V357-N474 HydrophobicContact CG1-CB 3.84Å; V357-N474 HydrophobicContact CG2-CB 4.02Å
358	R	89	Confident	85.9	Confident	68 Å²	68	19.2 Å²	19.2	26%	0.257	9%	0.091	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	145.3	175.3	-150.6	171	-155.9	159.8	7	110.4	E426 M427 W471 L472 W486	R358-E426 HydrophobicContact CG-CG 4.38Å; R358-E426 IonicContact CZ-OE1 3.89Å; R358-E426 IonicContact NE-OE1 2.69Å; R358-E426 PolarHBondContact NE-OE1 2.74Å; R358-E426 IonicContact NH2-OE1 3.78Å; R358-E426 IonicContact NH2-OE2 3.16Å; R358-M427 CarbonylContact C-O 3.53Å; R358-M427 VanDerWaalsContact CA-O 3.31Å; R358-M427 WeakPolarHBondContact CA-O 3.21Å; R358-M427 WeakPolarHBondContact CG-O 3.49Å; R358-W471 CarbonylContact O-C 3.59Å; R358-W471 WeakPolarHBondContact O-CA 3.39Å; R358-L472 HydrophobicContact CB-CB 3.49Å; R358-L472 VanDerWaalsContact CB-CB 3.49Å; R358-L472 HydrophobicContact CB-CD2 3.9Å; R358-L472 HydrophobicContact CB-CG 4.33Å; R358-L472 PolarHBondContact O-N 3.23Å; R358-W486 HydrophobicContact CB-CH2 3.94Å; R358-W486 HydrophobicContact CB-CZ3 4.35Å; R358-W486 HydrophobicContact CG-CH2 4.02Å
359	L	92.7	Very high	87.7	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138	170.3	168.3	62.3	0	0	0	108.9	L332 I361 F425 E426 M427 C469 W471	L332-L359 HydrophobicContact CD1-CD2 3.94Å; L332-L359 HydrophobicContact CD2-CD2 3.79Å; L332-L359 HydrophobicContact CG-CD2 4.01Å; L359-I361 HydrophobicContact CD1-CG1 4.34Å; L359-I361 HydrophobicContact CG-CG1 4.49Å; L359-F425 HydrophobicContact CD2-CD1 4.46Å; L359-F425 HydrophobicContact CD2-CE1 3.96Å; L359-F425 HydrophobicContact CG-CE1 4.38Å; L359-E426 CarbonylContact O-C 3.54Å; L359-E426 WeakPolarHBondContact O-CA 3.25Å; L359-M427 HydrophobicContact CB-CB 4.31Å; L359-M427 PolarHBondContact N-O 3.08Å; L359-M427 PolarHBondContact O-N 3.01Å; L359-C469 HydrophobicContact CD1-CB 3.63Å; L359-W471 HydrophobicContact CB-CE3 3.91Å; L359-W471 HydrophobicContact CB-CH2 4.34Å; L359-W471 HydrophobicContact CB-CZ3 3.72Å; L359-W471 HydrophobicContact CD1-CD2 3.98Å; L359-W471 HydrophobicContact CD1-CE3 3.99Å; L359-W471 HydrophobicContact CD1-CH2 3.84Å; L359-W471 HydrophobicContact CD1-CZ2 3.79Å; L359-W471 HydrophobicContact CD1-CZ3 3.93Å; L359-W471 HydrophobicContact CD2-CH2 3.87Å; L359-W471 HydrophobicContact CD2-CZ2 4.48Å; L359-W471 HydrophobicContact CD2-CZ3 4.08Å; L359-W471 HydrophobicContact CG-CE3 4.45Å; L359-W471 HydrophobicContact CG-CH2 4.24Å; L359-W471 HydrophobicContact CG-CZ3 4.12Å
360	R	93.5	Very high	89.7	Confident	54 Å²	54	23.2 Å²	23.2	20%	0.204	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.6	165.6	-74.1	177.3	177.3	168.6	1.1	109.7	Y362 V423 F425 E426 C469 E470 W486	R360-Y362 HydrophobicContact CB-CD2 4.34Å; R360-Y362 HydrophobicContact CB-CE2 3.92Å; R360-V423 HydrophobicContact CB-CG1 4.22Å; R360-V423 HydrophobicContact CG-CG1 4.14Å; R360-F425 WeakPolarHBondContact CA-O 3.37Å; R360-E426 HydrophobicContact CG-CB 4.34Å; R360-E426 HydrophobicContact CG-CG 4.02Å; R360-E426 IonicContact CZ-OE1 2.74Å; R360-E426 IonicContact NE-OE1 3.99Å; R360-E426 PolarHBondContact NE-OE1 2.82Å; R360-E426 IonicContact NH2-OE1 3.47Å; R360-E426 PolarHBondContact NH2-OE1 3.35Å; R360-C469 CarbonylContact O-C 3.57Å; R360-C469 WeakPolarHBondContact O-CA 3.46Å; R360-E470 PolarHBondContact N-O 2.92Å; R360-E470 PolarHBondContact O-N 3.5Å; R360-W486 HydrophobicContact CB-CH2 4.42Å; R360-W486 HydrophobicContact CB-CZ3 4.07Å; R360-W486 HydrophobicContact CG-CH2 3.59Å; R360-W486 HydrophobicContact CG-CZ3 3.74Å; R360-W486 VanDerWaalsContact NE-CH2 3.29Å; R360-W486 VanDerWaalsContact NH1-CZ2 3.3Å
361	I	95.4	Very high	91.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.6	169.8	-56.7	171	0	0	0	107.8	W329 L359 V423 I424 F425 L467 W468 C469 M536 L545	W329-I361 HydrophobicContact CB-CD1 3.84Å; W329-I361 HydrophobicContact CB-CG1 4.45Å; W329-I361 HydrophobicContact CD2-CD1 3.78Å; W329-I361 HydrophobicContact CD2-CG1 4.48Å; W329-I361 HydrophobicContact CE3-CD1 3.72Å; W329-I361 HydrophobicContact CE3-CG1 3.96Å; W329-I361 HydrophobicContact CE3-CG2 3.76Å; W329-I361 HydrophobicContact CG-CD1 3.87Å; W329-I361 HydrophobicContact CH2-CG2 4.4Å; W329-I361 HydrophobicContact CZ3-CG2 3.59Å; L359-I361 HydrophobicContact CD1-CG1 4.34Å; L359-I361 HydrophobicContact CG-CG1 4.49Å; I361-V423 CarbonylContact O-C 3.45Å; I361-V423 WeakPolarHBondContact O-CA 3.36Å; I361-I424 HydrophobicContact CB-CG1 4.47Å; I361-I424 HydrophobicContact CG2-CD1 4.4Å; I361-I424 HydrophobicContact CG2-CG1 4.21Å; I361-I424 PolarHBondContact O-N 3.45Å; I361-F425 HydrophobicContact CB-CB 4.09Å; I361-F425 HydrophobicContact CD1-CB 4.21Å; I361-F425 HydrophobicContact CD1-CD1 3.73Å; I361-F425 HydrophobicContact CD1-CE1 4.44Å; I361-F425 HydrophobicContact CD1-CG 4.2Å; I361-F425 HydrophobicContact CG1-CB 4.38Å; I361-F425 HydrophobicContact CG1-CD1 4.05Å; I361-F425 PolarHBondContact N-O 3.43Å; I361-L467 HydrophobicContact CG2-CD2 4.4Å; I361-W468 WeakPolarHBondContact CA-O 3.48Å; I361-C469 HydrophobicContact CG1-CB 4.26Å; I361-M536 HydrophobicContact CD1-SD 3.44Å; I361-M536 WeakPolarHBondContact CD1-SD 3.39Å; I361-M536 HydrophobicContact CG2-CE 4.48Å; I361-M536 HydrophobicContact CG2-SD 4.29Å; I361-L545 HydrophobicContact CD1-CD1 3.65Å; I361-L545 HydrophobicContact CD1-CD2 4.4Å
362	Y	95.3	Very high	92.2	Very high	30 Å²	30	26.4 Å²	26.4	12%	0.118	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	152.1	178.7	-78.1	-97.9	0	0	0	110.7	R360 A421 C422 V423 L467 W468 E470	R360-Y362 HydrophobicContact CB-CD2 4.34Å; R360-Y362 HydrophobicContact CB-CE2 3.92Å; Y362-A421 HydrophobicContact CD1-CB 4.12Å; Y362-C422 CarbonylContact C-O 3.57Å; Y362-C422 VanDerWaalsContact CA-O 3.29Å; Y362-C422 WeakPolarHBondContact CA-O 3.44Å; Y362-V423 HydrophobicContact CD1-CG2 4Å; Y362-V423 HydrophobicContact CD2-CG2 4.36Å; Y362-V423 HydrophobicContact CE1-CG2 3.49Å; Y362-V423 VanDerWaalsContact CE1-CG2 3.49Å; Y362-V423 HydrophobicContact CE2-CG2 3.87Å; Y362-V423 HydrophobicContact CG-CG2 4.41Å; Y362-V423 VanDerWaalsContact CZ-CG2 3.41Å; Y362-L467 VanDerWaalsContact O-CA 3.27Å; Y362-L467 WeakPolarHBondContact O-CA 3.13Å; Y362-W468 HydrophobicContact CD1-CH2 4.37Å; Y362-W468 AromaticContact CD1-CZ2 3.92Å; Y362-W468 HydrophobicContact CD1-CZ2 3.92Å; Y362-W468 HydrophobicContact CD2-CZ2 4.31Å; Y362-W468 AromaticContact CD2-NE1 3.89Å; Y362-W468 AromaticContact CG-CE2 3.79Å; Y362-W468 HydrophobicContact CG-CH2 4.22Å; Y362-W468 AromaticContact CG-CZ2 3.62Å; Y362-W468 HydrophobicContact CG-CZ2 3.62Å; Y362-W468 PolarHBondContact N-O 2.99Å; Y362-W468 PolarHBondContact O-N 3.36Å; Y362-E470 HydrophobicContact CD2-CG 3.95Å; Y362-E470 HydrophobicContact CE2-CB 4.43Å; Y362-E470 HydrophobicContact CE2-CG 3.81Å; Y362-E470 VanDerWaalsContact CE2-OE2 3.32Å; Y362-E470 WeakPolarHBondContact CE2-OE2 3.39Å
363	A	96.1	Very high	92.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	147.3	168	0	0	0	0	0	109.8	A421 C422 I424 L455 I465 A466 L467	A363-A421 WeakPolarHBondContact O-CA 3.41Å; A363-C422 PolarHBondContact N-O 2.96Å; A363-C422 PolarHBondContact O-N 2.77Å; A363-I424 HydrophobicContact CB-CD1 4.13Å; A363-I424 HydrophobicContact CB-CG1 4.34Å; A363-I424 HydrophobicContact CB-CG2 3.7Å; A363-L455 HydrophobicContact CB-CD1 4.05Å; A363-I465 HydrophobicContact CB-CG2 3.8Å; A363-A466 WeakPolarHBondContact CA-O 3.14Å; A363-L467 HydrophobicContact CB-CD2 4.49Å
364	I	95.9	Very high	93.4	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.031	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	138.5	174.3	-168.6	173.4	0	0	0	110	V366 A417 S419 A421 I465 A466 W468 I502	I364-V366 HydrophobicContact CG2-CG1 3.89Å; I364-A417 HydrophobicContact CD1-CB 3.81Å; I364-S419 WeakPolarHBondContact CD1-O 3.32Å; I364-S419 WeakPolarHBondContact CG1-O 3.1Å; I364-A421 HydrophobicContact CB-CB 4.28Å; I364-A421 HydrophobicContact CD1-CB 4.28Å; I364-A421 HydrophobicContact CG1-CB 4.47Å; I364-I465 VanDerWaalsContact O-CA 3.32Å; I364-I465 WeakPolarHBondContact O-CA 3.42Å; I364-A466 HydrophobicContact CG2-CB 3.98Å; I364-A466 PolarHBondContact N-O 3.49Å; I364-A466 PolarHBondContact O-N 3.22Å; I364-W468 HydrophobicContact CB-CH2 4.44Å; I364-W468 HydrophobicContact CB-CZ3 4.18Å; I364-W468 HydrophobicContact CG2-CH2 4.31Å; I364-W468 HydrophobicContact CG2-CZ3 3.7Å; I364-I502 HydrophobicContact CD1-CD1 3.95Å; I364-I502 HydrophobicContact CG2-CD1 4.04Å
365	L	96.1	Very high	93.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	134.9	171.8	-67.8	172.2	0	0	0	109.5	R418 S419 L455 A457 V462 I465 F516 I532	L365-R418 HydrophobicContact CB-CB 4.12Å; L365-R418 PolarHBondContact O-N 3.44Å; L365-S419 PolarHBondContact N-OG 3.27Å; L365-L455 HydrophobicContact CD1-CB 3.68Å; L365-L455 HydrophobicContact CD2-CB 4.33Å; L365-L455 HydrophobicContact CD2-CD1 4.24Å; L365-L455 HydrophobicContact CG-CB 3.71Å; L365-L455 HydrophobicContact CG-CD1 4.14Å; L365-L455 HydrophobicContact CG-CG 4.42Å; L365-A457 HydrophobicContact CD1-CB 3.72Å; L365-V462 HydrophobicContact CB-CG1 3.93Å; L365-V462 HydrophobicContact CD2-CG1 4.06Å; L365-V462 HydrophobicContact CG-CG1 4.43Å; L365-I465 HydrophobicContact CD2-CD1 4.3Å; L365-I465 HydrophobicContact CD2-CG1 3.7Å; L365-F516 HydrophobicContact CD2-CZ 3.84Å; L365-I532 HydrophobicContact CD2-CD1 3.61Å; L365-I532 HydrophobicContact CD2-CG1 4.36Å
366	V	95.7	Very high	94	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	150.9	-176.9	-64.3	0	0	0	0	112.1	I364 F368 N415 T416 V462 N463 G464 A466 I502	I364-V366 HydrophobicContact CG2-CG1 3.89Å; V366-F368 HydrophobicContact CB-CE2 4.47Å; V366-F368 HydrophobicContact CG2-CD2 3.69Å; V366-F368 HydrophobicContact CG2-CE1 4.12Å; V366-F368 HydrophobicContact CG2-CE2 3.2Å; V366-F368 HydrophobicContact CG2-CG 4.36Å; V366-F368 HydrophobicContact CG2-CZ 3.45Å; V366-F368 VanDerWaalsContact CG2-CZ 3.45Å; V366-N415 HydrophobicContact CB-CB 4.43Å; V366-T416 WeakPolarHBondContact CA-O 3.22Å; V366-V462 WeakPolarHBondContact O-CG1 3.43Å; V366-N463 PolarHBondContact O-N 3.07Å; V366-N463 VanDerWaalsContact O-N 3.08Å; V366-N463 PolarHBondContact O-OD1 2.86Å; V366-G464 WeakPolarHBondContact CG2-O 3.34Å; V366-G464 PolarHBondContact N-O 3.04Å; V366-G464 PolarHBondContact O-N 3.33Å; V366-A466 HydrophobicContact CG1-CB 3.97Å; V366-A466 HydrophobicContact CG2-CB 4.33Å; V366-I502 HydrophobicContact CG1-CD1 3.74Å
367	D	95.2	Very high	94.2	Very high	22 Å²	22	38.3 Å²	38.3	12%	0.118	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	95.1	164.9	-174.1	8.1	0	0	0	108.3	N415 T416 R418 S461 N463	D367-N415 VanDerWaalsContact O-CA 3.28Å; D367-N415 WeakPolarHBondContact O-CA 3.23Å; D367-T416 PolarHBondContact N-O 3.14Å; D367-T416 PolarHBondContact O-N 3.12Å; D367-R418 HydrophobicContact CB-CG 3.83Å; D367-R418 IonicContact OD2-CZ 3.68Å; D367-R418 IonicContact OD2-NE 2.63Å; D367-R418 IonicContact OD2-NH2 3.6Å; D367-R418 PolarHBondContact OD2-NH2 3.15Å; D367-S461 WeakPolarHBondContact CB-O 3.24Å; D367-S461 PolarHBondContact OD1-OG 2.78Å; D367-S461 VanDerWaalsContact OD1-OG 3.12Å; D367-S461 VanDerWaalsContact OD2-CB 3.25Å; D367-S461 WeakPolarHBondContact OD2-CB 3.36Å; D367-S461 PolarHBondContact OD2-OG 2.98Å; D367-N463 PolarHBondContact OD1-ND2 2.91Å
368	F	96.5	Very high	94.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	131.3	170.1	-68.7	-68.9	0	0	0	109.3	V366 Y370 L371 L410 N415 N463 V513 L515	V366-F368 HydrophobicContact CB-CE2 4.47Å; V366-F368 HydrophobicContact CG2-CD2 3.69Å; V366-F368 HydrophobicContact CG2-CE1 4.12Å; V366-F368 HydrophobicContact CG2-CE2 3.2Å; V366-F368 HydrophobicContact CG2-CG 4.36Å; V366-F368 HydrophobicContact CG2-CZ 3.45Å; V366-F368 VanDerWaalsContact CG2-CZ 3.45Å; F368-Y370 VanDerWaalsContact C-N 3.3Å; F368-Y370 PolarHBondContact O-N 3.38Å; F368-L371 HydrophobicContact CB-CB 3.97Å; F368-L371 HydrophobicContact CD1-CB 3.92Å; F368-L371 HydrophobicContact CD1-CD2 3.9Å; F368-L371 HydrophobicContact CE1-CD2 3.8Å; F368-L371 HydrophobicContact CE2-CD2 4.43Å; F368-L371 HydrophobicContact CG-CB 3.92Å; F368-L371 HydrophobicContact CG-CD2 4.33Å; F368-L371 HydrophobicContact CZ-CD2 4.05Å; F368-L410 HydrophobicContact CE1-CD2 3.5Å; F368-L410 VanDerWaalsContact CE1-CD2 3.5Å; F368-L410 HydrophobicContact CZ-CD2 3.88Å; F368-N415 HydrophobicContact CD1-CB 3.59Å; F368-N415 HydrophobicContact CE1-CB 3.85Å; F368-N415 HydrophobicContact CG-CB 4.38Å; F368-N463 WeakPolarHBondContact CB-OD1 3.43Å; F368-N463 WeakPolarHBondContact CD2-OD1 3.48Å; F368-N463 PolarHBondContact N-OD1 3.1Å; F368-N463 PolarHBondContact O-ND2 3.35Å; F368-V513 HydrophobicContact CE2-CG1 3.62Å; F368-V513 HydrophobicContact CZ-CG1 3.71Å; F368-V513 HydrophobicContact CZ-CG2 4.2Å; F368-L515 HydrophobicContact CD2-CD2 3.71Å; F368-L515 HydrophobicContact CE2-CD2 3.84Å
369	K	95.5	Very high	94.6	Very high	118 Å²	118	38 Å²	38	51%	0.513	18%	0.176	S	C	.	.	S	Bend	trans	-63	-42.1	176.9	-167.7	177	-177.3	-176.5	0	111.3	W372 P414	K369-W372 PolarHBondContact O-NE1 2.88Å; K369-P414 HydrophobicContact CB-CB 4.2Å; K369-P414 WeakPolarHBondContact CB-O 3.35Å; K369-P414 HydrophobicContact CD-CB 4.34Å; K369-P414 PolarHBondContact N-O 3.47Å
370	Y	95.9	Very high	94.6	Very high	60 Å²	60	44.8 Å²	44.8	24%	0.235	21%	0.205	C	C	.	.	S	Bend	trans	-141.2	-26.4	-172.5	-56.4	-57.9	0	0	0	115.9	W123 F368 W372 R373	W123-Y370 HydrophobicContact CB-CD1 4.45Å; W123-Y370 HydrophobicContact CB-CD2 3.82Å; W123-Y370 HydrophobicContact CB-CE1 4.45Å; W123-Y370 HydrophobicContact CB-CE2 3.77Å; W123-Y370 HydrophobicContact CB-CG 4.15Å; W123-Y370 AromaticContact CD1-CD2 3.33Å; W123-Y370 AromaticContact CD1-CE2 3.85Å; W123-Y370 HydrophobicContact CD2-CD1 4.3Å; W123-Y370 AromaticContact CD2-CD2 3.67Å; W123-Y370 HydrophobicContact CD2-CD2 3.67Å; W123-Y370 AromaticContact CD2-CG 3.51Å; W123-Y370 HydrophobicContact CD2-CG 3.51Å; W123-Y370 AromaticContact CE2-CD2 3.92Å; W123-Y370 AromaticContact CE2-CG 3.91Å; W123-Y370 VanDerWaalsContact CE3-CB 3.44Å; W123-Y370 HydrophobicContact CE3-CD1 4.36Å; W123-Y370 HydrophobicContact CE3-CD2 4.5Å; W123-Y370 AromaticContact CE3-CG 3.9Å; W123-Y370 HydrophobicContact CE3-CG 3.9Å; W123-Y370 HydrophobicContact CG-CD1 4.33Å; W123-Y370 AromaticContact CG-CD2 3.29Å; W123-Y370 HydrophobicContact CG-CD2 3.29Å; W123-Y370 AromaticContact CG-CE2 3.75Å; W123-Y370 HydrophobicContact CG-CE2 3.75Å; W123-Y370 AromaticContact CG-CG 3.61Å; W123-Y370 HydrophobicContact CG-CG 3.61Å; W123-Y370 WeakPolarHBondContact CH2-O 3.38Å; W123-Y370 AromaticContact NE1-CD2 3.7Å; F368-Y370 VanDerWaalsContact C-N 3.3Å; F368-Y370 PolarHBondContact O-N 3.38Å; Y370-W372 PolarHBondContact O-N 3.31Å; Y370-W372 VanDerWaalsContact O-N 3.09Å; Y370-R373 VanDerWaalsContact O-CB 3.23Å; Y370-R373 WeakPolarHBondContact O-CB 3.44Å; Y370-R373 VanDerWaalsContact O-CG 3.3Å; Y370-R373 WeakPolarHBondContact O-CG 3.1Å; Y370-R373 PolarHBondContact O-N 2.91Å
371	L	97	Very high	94.3	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-53.8	-36.1	-175.6	-177.6	61.1	0	0	0	112.3	F368 R373 I374 H408 L410 Y413 V513 L515	F368-L371 HydrophobicContact CB-CB 3.97Å; F368-L371 HydrophobicContact CD1-CB 3.92Å; F368-L371 HydrophobicContact CD1-CD2 3.9Å; F368-L371 HydrophobicContact CE1-CD2 3.8Å; F368-L371 HydrophobicContact CE2-CD2 4.43Å; F368-L371 HydrophobicContact CG-CB 3.92Å; F368-L371 HydrophobicContact CG-CD2 4.33Å; F368-L371 HydrophobicContact CZ-CD2 4.05Å; L371-R373 PolarHBondContact O-N 3.09Å; L371-I374 HydrophobicContact CD1-CD1 3.98Å; L371-I374 HydrophobicContact CD1-CG1 4.18Å; L371-I374 VanDerWaalsContact O-CG1 3.26Å; L371-I374 WeakPolarHBondContact O-CG1 3.25Å; L371-I374 PolarHBondContact O-N 3.02Å; L371-H408 HydrophobicContact CD2-CB 4.4Å; L371-L410 HydrophobicContact CD2-CD2 3.97Å; L371-Y413 HydrophobicContact CB-CD1 4.12Å; L371-Y413 HydrophobicContact CB-CG 4.25Å; L371-Y413 HydrophobicContact CD1-CD1 3.83Å; L371-Y413 HydrophobicContact CD1-CD2 4.32Å; L371-Y413 HydrophobicContact CD1-CE1 3.84Å; L371-Y413 HydrophobicContact CD1-CE2 4.33Å; L371-Y413 HydrophobicContact CD1-CG 4.07Å; L371-Y413 HydrophobicContact CD2-CD2 4.29Å; L371-Y413 HydrophobicContact CD2-CG 4.12Å; L371-Y413 HydrophobicContact CG-CD1 4.41Å; L371-Y413 HydrophobicContact CG-CG 4.37Å; L371-V513 HydrophobicContact CD2-CG1 4.29Å; L371-V513 HydrophobicContact CD2-CG2 4.43Å; L371-L515 HydrophobicContact CG-CD2 4.47Å
372	W	95.1	Very high	94.1	Very high	75 Å²	75	49 Å²	49	28%	0.284	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-52.7	-20.1	175.2	70.1	-90.4	0	0	0	115.3	K369 Y370 I374 S376 N463 L515	K369-W372 PolarHBondContact O-NE1 2.88Å; Y370-W372 PolarHBondContact O-N 3.31Å; Y370-W372 VanDerWaalsContact O-N 3.09Å; W372-I374 VanDerWaalsContact C-N 3.33Å; W372-S376 WeakPolarHBondContact CZ3-OG 3.29Å; W372-S376 PolarHBondContact O-N 3.1Å; W372-S376 PolarHBondContact O-OG 3.21Å; W372-N463 HydrophobicContact CB-CB 4.01Å; W372-N463 HydrophobicContact CG-CB 4.4Å; W372-L515 HydrophobicContact CB-CD2 4.45Å
373	R	94.3	Very high	93.9	Very high	125 Å²	125	55.2 Å²	55.2	47%	0.472	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-70.5	-24.2	179.2	-65.3	178.3	177.6	-172.7	-1.4	113.2	W123 Y370 L371 R375 S376	W123-R373 HydrophobicContact CZ3-CB 4.22Å; Y370-R373 VanDerWaalsContact O-CB 3.23Å; Y370-R373 WeakPolarHBondContact O-CB 3.44Å; Y370-R373 VanDerWaalsContact O-CG 3.3Å; Y370-R373 WeakPolarHBondContact O-CG 3.1Å; Y370-R373 PolarHBondContact O-N 2.91Å; L371-R373 PolarHBondContact O-N 3.09Å; R373-R375 PolarHBondContact O-N 3.04Å; R373-S376 PolarHBondContact O-N 2.68Å
374	I	94.3	Very high	93.7	Very high	57 Å²	57	60.7 Å²	60.7	29%	0.292	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-70.2	-20.3	-177	69	156.4	0	0	0	113.1	W123 D125 L371 W372 L515	W123-I374 HydrophobicContact CH2-CG2 4.39Å; D125-I374 HydrophobicContact CB-CG2 3.81Å; L371-I374 HydrophobicContact CD1-CD1 3.98Å; L371-I374 HydrophobicContact CD1-CG1 4.18Å; L371-I374 VanDerWaalsContact O-CG1 3.26Å; L371-I374 WeakPolarHBondContact O-CG1 3.25Å; L371-I374 PolarHBondContact O-N 3.02Å; W372-I374 VanDerWaalsContact C-N 3.33Å; I374-L515 HydrophobicContact CD1-CD1 4.35Å; I374-L515 HydrophobicContact CG1-CD1 3.86Å
375	R	92.3	Very high	93.7	Very high	94 Å²	94	67.2 Å²	67.2	36%	0.355	34%	0.336	S	S	.	.	S	Bend	trans	-117.7	0.7	177.2	-63.9	-55.6	177.4	174.8	1.5	114.4	R373 D402 E406 L515	R373-R375 PolarHBondContact O-N 3.04Å; R375-D402 IonicContact CZ-OD2 3.86Å; R375-D402 IonicContact NH1-OD2 3.21Å; R375-D402 PolarHBondContact NH1-OD2 3.03Å; R375-D402 IonicContact NH2-OD2 2.87Å; R375-E406 WeakPolarHBondContact CG-OE1 3.3Å; R375-E406 IonicContact CZ-OE1 2.7Å; R375-E406 IonicContact CZ-OE2 2.81Å; R375-E406 VanDerWaalsContact NE-CD 3.28Å; R375-E406 IonicContact NE-OE1 3.66Å; R375-E406 PolarHBondContact NE-OE1 3.1Å; R375-E406 IonicContact NE-OE2 3.5Å; R375-E406 PolarHBondContact NE-OE2 2.97Å; R375-E406 VanDerWaalsContact NE-OE2 3.16Å; R375-E406 IonicContact NH2-OE1 2.84Å; R375-E406 PolarHBondContact NH2-OE1 3.45Å; R375-E406 IonicContact NH2-OE2 3.08Å; R375-E406 PolarHBondContact NH2-OE2 3.3Å; R375-L515 HydrophobicContact CB-CD1 4.03Å; R375-L515 HydrophobicContact CG-CD1 3.72Å
376	S	91.7	Very high	93.7	Very high	26 Å²	26	70.8 Å²	70.8	18%	0.182	36%	0.355	C	S	.	.	S	Bend	trans	-80	141.6	179.8	-79.8	0	0	0	0	111.7	W372 R373 K521	W372-S376 WeakPolarHBondContact CZ3-OG 3.29Å; W372-S376 PolarHBondContact O-N 3.1Å; W372-S376 PolarHBondContact O-OG 3.21Å; R373-S376 PolarHBondContact O-N 2.68Å; S376-K521 PolarHBondContact OG-NZ 2.87Å; S376-K521 VanDerWaalsContact OG-NZ 3.15Å
377	P	93.2	Very high	93.7	Very high	46 Å²	46	73.7 Å²	73.7	30%	0.299	37%	0.37	S	S	.	.			trans	-60.1	144.8	172.1	26	-33.9	0	0	0	110.3	D391 L395	P377-D391 WeakPolarHBondContact CA-OD1 3.3Å; P377-D391 HydrophobicContact CB-CB 4.03Å; P377-D391 WeakPolarHBondContact CB-OD2 3.19Å; P377-L395 HydrophobicContact CB-CD1 4.41Å
378	V	93.1	Very high	93.7	Very high	67 Å²	67	78.8 Å²	78.8	41%	0.406	39%	0.388	S	S	.	.			trans	-72.5	-38	177.7	-175.8	0	0	0	0	110.5	C382 L387 F390 D391	V378-C382 HydrophobicContact CG1-CB 3.6Å; V378-L387 HydrophobicContact CB-CB 4.27Å; V378-L387 HydrophobicContact CB-CD1 4.48Å; V378-L387 HydrophobicContact CG1-CB 4.14Å; V378-L387 HydrophobicContact CG1-CD1 3.66Å; V378-L387 HydrophobicContact CG1-CG 4.46Å; V378-F390 HydrophobicContact CG2-CD1 4.44Å; V378-F390 HydrophobicContact CG2-CE1 4.46Å; V378-D391 PolarHBondContact N-OD1 3.31Å; V378-D391 PolarHBondContact N-OD2 3.37Å
379	G	92.2	Very high	93.7	Very high	17 Å²	17	82.8 Å²	82.8	18%	0.175	41%	0.414	C	S	.	.			trans	83.4	-153.8	173.4	0	0	0	0	0	114.4	L387 R388 D391	G379-L387 CarbonylContact O-C 3.58Å; G379-L387 PolarHBondContact O-N 2.8Å; G379-R388 PolarHBondContact O-N 3.49Å; G379-D391 WeakPolarHBondContact CA-OD2 3.28Å; G379-D391 PolarHBondContact N-OD2 3Å
380	F	91.6	Very high	93.7	Very high	143 Å²	143	82.4 Å²	82.4	63%	0.627	41%	0.412	S	S	*	.	S	Bend	trans	-101.2	2.3	-165.1	66.2	-81.6	0	0	0	114.5	F385 R388	F380-F385 CarbonylContact C-O 3.53Å; F380-R388 HydrophobicContact CB-CG 4.4Å
381	T	87.5	Confident	93.7	Very high	88 Å²	88	80.2 Å²	80.2	54%	0.54	40%	0.404	S	S	.	.			trans	-134	18.7	-168.8	64	0	0	0	0	115.1	E383 S384	T381-E383 PolarHBondContact O-N 3.28Å; T381-S384 PolarHBondContact O-N 3.46Å
382	C	91.2	Very high	93.5	Very high	54 Å²	54	87 Å²	87	37%	0.365	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-69.5	108.3	178.2	-175.1	0	0	0	0	109.3	V378 S384 F385 L387	V378-C382 HydrophobicContact CG1-CB 3.6Å; C382-S384 PolarHBondContact O-N 2.78Å; C382-S384 VanDerWaalsContact O-N 3.1Å; C382-F385 PolarHBondContact N-O 2.79Å; C382-F385 WeakPolarHBondContact O-CB 3.49Å; C382-F385 PolarHBondContact O-N 3.08Å; C382-L387 HydrophobicContact CB-CD1 3.67Å; C382-L387 HydrophobicContact CB-CG 4.36Å
383	E	91.8	Very high	93.6	Very high	161 Å²	161	89 Å²	89	75%	0.752	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	35.2	-171.2	-60.5	-57.3	124	0	0	112.9	T381 F385	T381-E383 PolarHBondContact O-N 3.28Å; E383-F385 HydrophobicContact CB-CD2 4.02Å; E383-F385 HydrophobicContact CB-CE2 4.2Å; E383-F385 VanDerWaalsContact O-CD2 3.24Å; E383-F385 WeakPolarHBondContact O-CD2 3.2Å; E383-F385 WeakPolarHBondContact O-CE2 3.34Å; E383-F385 PolarHBondContact O-N 2.94Å
384	S	92.3	Very high	93.6	Very high	115 Å²	115	86 Å²	86	80%	0.804	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	11.6	-175.1	-44.6	0	0	0	0	116.3	T381 C382	T381-S384 PolarHBondContact O-N 3.46Å; C382-S384 PolarHBondContact O-N 2.78Å; C382-S384 VanDerWaalsContact O-N 3.1Å
385	F	95.3	Very high	93.4	Very high	143 Å²	143	86.7 Å²	86.7	63%	0.627	45%	0.451	S	S	*	.	B	Isolated β-bridge	trans	-95.8	140.3	171.4	-58.3	-78.3	0	0	0	111.3	F380 C382 E383 L387	F380-F385 CarbonylContact C-O 3.53Å; C382-F385 PolarHBondContact N-O 2.79Å; C382-F385 WeakPolarHBondContact O-CB 3.49Å; C382-F385 PolarHBondContact O-N 3.08Å; E383-F385 HydrophobicContact CB-CD2 4.02Å; E383-F385 HydrophobicContact CB-CE2 4.2Å; E383-F385 VanDerWaalsContact O-CD2 3.24Å; E383-F385 WeakPolarHBondContact O-CD2 3.2Å; E383-F385 WeakPolarHBondContact O-CE2 3.34Å; E383-F385 PolarHBondContact O-N 2.94Å; F385-L387 PolarHBondContact O-N 3.38Å
386	D	95.7	Very high	93.5	Very high	74 Å²	74	86.2 Å²	86.2	40%	0.396	46%	0.456	S	S	.	.			trans	-83.2	110	175.2	-174.3	5.9	0	0	0	110.3	R388	D386-R388 WeakPolarHBondContact OD1-CB 3.42Å; D386-R388 VanDerWaalsContact OD1-CG 3.25Å; D386-R388 WeakPolarHBondContact OD1-CG 3.3Å; D386-R388 IonicContact OD1-CZ 2.68Å; D386-R388 PolarHBondContact OD1-N 3.08Å; D386-R388 VanDerWaalsContact OD1-N 3.14Å; D386-R388 IonicContact OD1-NE 3.59Å; D386-R388 PolarHBondContact OD1-NE 3.1Å; D386-R388 IonicContact OD1-NH2 2.87Å; D386-R388 IonicContact OD2-CZ 3.9Å; D386-R388 IonicContact OD2-NE 3.55Å; D386-R388 PolarHBondContact OD2-NE 3.11Å; D386-R388 IonicContact OD2-NH2 3.83Å; D386-R388 PolarHBondContact OD2-NH2 3.32Å
387	L	96.2	Very high	93.6	Very high	61 Å²	61	87.2 Å²	87.2	32%	0.319	47%	0.466	S	S	.	.			trans	-108	13.2	-179	-62	-177.6	0	0	0	112.6	V378 G379 C382 F385 P389 F390 D391	V378-L387 HydrophobicContact CB-CB 4.27Å; V378-L387 HydrophobicContact CB-CD1 4.48Å; V378-L387 HydrophobicContact CG1-CB 4.14Å; V378-L387 HydrophobicContact CG1-CD1 3.66Å; V378-L387 HydrophobicContact CG1-CG 4.46Å; G379-L387 CarbonylContact O-C 3.58Å; G379-L387 PolarHBondContact O-N 2.8Å; C382-L387 HydrophobicContact CB-CD1 3.67Å; C382-L387 HydrophobicContact CB-CG 4.36Å; F385-L387 PolarHBondContact O-N 3.38Å; L387-P389 VanDerWaalsContact C-CD 3.44Å; L387-P389 VanDerWaalsContact C-N 3.33Å; L387-F390 WeakPolarHBondContact O-CA 3.13Å; L387-F390 WeakPolarHBondContact O-CB 3.1Å; L387-F390 PolarHBondContact O-N 3.13Å; L387-D391 PolarHBondContact O-N 3.46Å
388	R	95.4	Very high	93.6	Very high	130 Å²	130	86.2 Å²	86.2	49%	0.491	46%	0.459	S	S	.	.	H	α-helix	trans	-56.3	-36.9	174.5	-67.1	177.3	-65.3	162.5	2.8	114.1	G379 F380 D386 F390 D391 E392	G379-R388 PolarHBondContact O-N 3.49Å; F380-R388 HydrophobicContact CB-CG 4.4Å; D386-R388 WeakPolarHBondContact OD1-CB 3.42Å; D386-R388 VanDerWaalsContact OD1-CG 3.25Å; D386-R388 WeakPolarHBondContact OD1-CG 3.3Å; D386-R388 IonicContact OD1-CZ 2.68Å; D386-R388 PolarHBondContact OD1-N 3.08Å; D386-R388 VanDerWaalsContact OD1-N 3.14Å; D386-R388 IonicContact OD1-NE 3.59Å; D386-R388 PolarHBondContact OD1-NE 3.1Å; D386-R388 IonicContact OD1-NH2 2.87Å; D386-R388 IonicContact OD2-CZ 3.9Å; D386-R388 IonicContact OD2-NE 3.55Å; D386-R388 PolarHBondContact OD2-NE 3.11Å; D386-R388 IonicContact OD2-NH2 3.83Å; D386-R388 PolarHBondContact OD2-NH2 3.32Å; R388-F390 PolarHBondContact O-N 3.08Å; R388-D391 WeakPolarHBondContact O-CB 3.31Å; R388-D391 PolarHBondContact O-N 3Å; R388-D391 VanDerWaalsContact O-N 3.12Å; R388-E392 WeakPolarHBondContact O-CG 3.09Å; R388-E392 PolarHBondContact O-N 3.18Å
389	P	95.9	Very high	93.4	Very high	84 Å²	84	87.2 Å²	87.2	55%	0.545	48%	0.475	S	S	.	.	H	α-helix	trans	-61	-31	173.8	-25.2	35.7	0	0	0	113.6	L387 L393	L387-P389 VanDerWaalsContact C-CD 3.44Å; L387-P389 VanDerWaalsContact C-N 3.33Å; P389-L393 PolarHBondContact O-N 3.34Å
390	F	95.7	Very high	93.4	Very high	110 Å²	110	93.6 Å²	93.6	48%	0.482	50%	0.498	S	S	.	.	H	α-helix	trans	-72.9	-42.2	173	172.5	-97.6	0	0	0	111	V378 L387 R388 E392 L393 V394	V378-F390 HydrophobicContact CG2-CD1 4.44Å; V378-F390 HydrophobicContact CG2-CE1 4.46Å; L387-F390 WeakPolarHBondContact O-CA 3.13Å; L387-F390 WeakPolarHBondContact O-CB 3.1Å; L387-F390 PolarHBondContact O-N 3.13Å; R388-F390 PolarHBondContact O-N 3.08Å; F390-E392 VanDerWaalsContact C-N 3.34Å; F390-E392 PolarHBondContact O-N 3.17Å; F390-L393 PolarHBondContact O-N 2.9Å; F390-V394 HydrophobicContact CD1-CG2 4.23Å; F390-V394 HydrophobicContact CD2-CG2 4.08Å; F390-V394 HydrophobicContact CE1-CG2 3.8Å; F390-V394 HydrophobicContact CE2-CG2 3.64Å; F390-V394 HydrophobicContact CG-CG2 4.37Å; F390-V394 HydrophobicContact CZ-CG2 3.49Å; F390-V394 VanDerWaalsContact CZ-CG2 3.49Å; F390-V394 WeakPolarHBondContact O-CG2 2.91Å; F390-V394 PolarHBondContact O-N 2.81Å
391	D	95.1	Very high	93.5	Very high	14 Å²	14	90.7 Å²	90.7	8%	0.075	50%	0.495	C	S	.	.	H	α-helix	trans	-58.2	-46	174.9	-63.6	-30.7	0	0	0	111.5	P377 V378 G379 L387 R388 L393 V394 L395	P377-D391 WeakPolarHBondContact CA-OD1 3.3Å; P377-D391 HydrophobicContact CB-CB 4.03Å; P377-D391 WeakPolarHBondContact CB-OD2 3.19Å; V378-D391 PolarHBondContact N-OD1 3.31Å; V378-D391 PolarHBondContact N-OD2 3.37Å; G379-D391 WeakPolarHBondContact CA-OD2 3.28Å; G379-D391 PolarHBondContact N-OD2 3Å; L387-D391 PolarHBondContact O-N 3.46Å; R388-D391 WeakPolarHBondContact O-CB 3.31Å; R388-D391 PolarHBondContact O-N 3Å; R388-D391 VanDerWaalsContact O-N 3.12Å; D391-L393 VanDerWaalsContact C-N 3.32Å; D391-L393 PolarHBondContact O-N 3.31Å; D391-V394 PolarHBondContact O-N 3.42Å; D391-L395 HydrophobicContact CB-CD1 4.35Å; D391-L395 WeakPolarHBondContact O-CB 3.48Å; D391-L395 WeakPolarHBondContact O-CG 3.25Å; D391-L395 PolarHBondContact O-N 3.49Å
392	E	94.2	Very high	93.7	Very high	142 Å²	142	89.5 Å²	89.5	66%	0.664	49%	0.485	S	S	*	.	H	α-helix	trans	-57.3	-45	177.2	-74	174.9	-169.6	0	0	111.6	R388 F390 D396	R388-E392 WeakPolarHBondContact O-CG 3.09Å; R388-E392 PolarHBondContact O-N 3.18Å; F390-E392 VanDerWaalsContact C-N 3.34Å; F390-E392 PolarHBondContact O-N 3.17Å; E392-D396 WeakPolarHBondContact O-CB 3.44Å; E392-D396 PolarHBondContact O-N 2.8Å; E392-D396 VanDerWaalsContact O-N 3.09Å
393	L	96	Very high	93.8	Very high	118 Å²	118	94.3 Å²	94.3	62%	0.618	50%	0.503	S	S	*	.	H	α-helix	trans	-63.5	-48.7	177.8	178.7	66.6	0	0	0	112.1	P389 F390 D391 A397	P389-L393 PolarHBondContact O-N 3.34Å; F390-L393 PolarHBondContact O-N 2.9Å; D391-L393 VanDerWaalsContact C-N 3.32Å; D391-L393 PolarHBondContact O-N 3.31Å; L393-A397 WeakPolarHBondContact O-CB 3.37Å; L393-A397 PolarHBondContact O-N 2.73Å; L393-A397 VanDerWaalsContact O-N 3.08Å
394	V	94	Very high	93.8	Very high	62 Å²	62	90.8 Å²	90.8	38%	0.376	49%	0.488	S	S	.	.	H	α-helix	trans	-71.4	-42.1	-175.4	172.8	0	0	0	0	111.5	F390 D391 A397 S398	F390-V394 HydrophobicContact CD1-CG2 4.23Å; F390-V394 HydrophobicContact CD2-CG2 4.08Å; F390-V394 HydrophobicContact CE1-CG2 3.8Å; F390-V394 HydrophobicContact CE2-CG2 3.64Å; F390-V394 HydrophobicContact CG-CG2 4.37Å; F390-V394 HydrophobicContact CZ-CG2 3.49Å; F390-V394 VanDerWaalsContact CZ-CG2 3.49Å; F390-V394 WeakPolarHBondContact O-CG2 2.91Å; F390-V394 PolarHBondContact O-N 2.81Å; D391-V394 PolarHBondContact O-N 3.42Å; V394-A397 PolarHBondContact O-N 3.07Å; V394-S398 VanDerWaalsContact O-CB 3.23Å; V394-S398 WeakPolarHBondContact O-CB 3.4Å; V394-S398 PolarHBondContact O-N 3.14Å
395	L	91.4	Very high	94	Very high	71 Å²	71	85.7 Å²	85.7	37%	0.372	45%	0.452	S	S	.	.	H	α-helix	trans	-68.4	-39.7	179.7	-66.7	173.4	0	0	0	111.6	P377 D391 A399	P377-L395 HydrophobicContact CB-CD1 4.41Å; D391-L395 HydrophobicContact CB-CD1 4.35Å; D391-L395 WeakPolarHBondContact O-CB 3.48Å; D391-L395 WeakPolarHBondContact O-CG 3.25Å; D391-L395 PolarHBondContact O-N 3.49Å; L395-A399 VanDerWaalsContact O-CB 3.27Å; L395-A399 WeakPolarHBondContact O-CB 3.45Å; L395-A399 PolarHBondContact O-N 3.4Å
396	D	93.1	Very high	93.9	Very high	85 Å²	85	80.3 Å²	80.3	46%	0.455	43%	0.429	S	S	.	.	H	α-helix	trans	-65.5	-39.7	174.2	176.6	68.7	0	0	0	112.1	E392 K400	E392-D396 WeakPolarHBondContact O-CB 3.44Å; E392-D396 PolarHBondContact O-N 2.8Å; E392-D396 VanDerWaalsContact O-N 3.09Å; D396-K400 WeakPolarHBondContact O-CD 3.21Å; D396-K400 WeakPolarHBondContact O-CG 3.23Å; D396-K400 WeakPolarHBondContact OD1-CE 3.4Å; D396-K400 IonicContact OD1-NZ 3.89Å; D396-K400 PolarHBondContact OD1-NZ 3.43Å; D396-K400 IonicContact OD2-NZ 3.53Å; D396-K400 PolarHBondContact OD2-NZ 2.9Å
397	A	95.4	Very high	94	Very high	47 Å²	47	78.6 Å²	78.6	39%	0.388	42%	0.422	S	S	.	.	H	α-helix	trans	-64.9	-50.9	174.8	0	0	0	0	0	111.5	L393 V394 A399 K400 S401	L393-A397 WeakPolarHBondContact O-CB 3.37Å; L393-A397 PolarHBondContact O-N 2.73Å; L393-A397 VanDerWaalsContact O-N 3.08Å; V394-A397 PolarHBondContact O-N 3.07Å; A397-A399 VanDerWaalsContact C-N 3.34Å; A397-A399 PolarHBondContact O-N 3.03Å; A397-K400 PolarHBondContact O-N 2.99Å; A397-S401 PolarHBondContact O-N 2.82Å; A397-S401 PolarHBondContact O-OG 2.99Å
398	S	92.4	Very high	94	Very high	24 Å²	24	76.5 Å²	76.5	17%	0.168	41%	0.411	C	S	.	.	H	α-helix	trans	-59.5	-42.1	-180	-177.1	0	0	0	0	111.8	V394 K400 S401 D402	V394-S398 VanDerWaalsContact O-CB 3.23Å; V394-S398 WeakPolarHBondContact O-CB 3.4Å; V394-S398 PolarHBondContact O-N 3.14Å; S398-K400 PolarHBondContact O-N 2.79Å; S398-S401 PolarHBondContact O-N 2.92Å; S398-D402 WeakPolarHBondContact CB-OD2 3.36Å; S398-D402 VanDerWaalsContact O-CB 3.31Å; S398-D402 WeakPolarHBondContact O-CB 3.48Å; S398-D402 PolarHBondContact O-N 3.49Å; S398-D402 VanDerWaalsContact OG-CG 3.31Å; S398-D402 PolarHBondContact OG-OD2 3.39Å
399	A	88.4	Confident	94	Very high	88 Å²	88	71.2 Å²	71.2	73%	0.727	39%	0.393	S	S	*	.	H	α-helix	trans	-62.1	-17.1	176.4	0	0	0	0	0	114.5	L395 A397	L395-A399 VanDerWaalsContact O-CB 3.27Å; L395-A399 WeakPolarHBondContact O-CB 3.45Å; L395-A399 PolarHBondContact O-N 3.4Å; A397-A399 VanDerWaalsContact C-N 3.34Å; A397-A399 PolarHBondContact O-N 3.03Å
400	K	93.3	Very high	94.1	Very high	151 Å²	151	67.2 Å²	67.2	66%	0.657	37%	0.367	S	S	*	.	H	α-helix	trans	-100.6	-31	178.5	-67.8	168.1	-174	163.3	0	113.2	D396 A397 S398	D396-K400 WeakPolarHBondContact O-CD 3.21Å; D396-K400 WeakPolarHBondContact O-CG 3.23Å; D396-K400 WeakPolarHBondContact OD1-CE 3.4Å; D396-K400 IonicContact OD1-NZ 3.89Å; D396-K400 PolarHBondContact OD1-NZ 3.43Å; D396-K400 IonicContact OD2-NZ 3.53Å; D396-K400 PolarHBondContact OD2-NZ 2.9Å; A397-K400 PolarHBondContact O-N 2.99Å; S398-K400 PolarHBondContact O-N 2.79Å
401	S	93.8	Very high	94	Very high	83 Å²	83	62.9 Å²	62.9	58%	0.58	35%	0.347	S	S	*	.	H	α-helix	trans	-108.4	-28.8	-171.1	59.7	0	0	0	0	114.6	A397 S398	A397-S401 PolarHBondContact O-N 2.82Å; A397-S401 PolarHBondContact O-OG 2.99Å; S398-S401 PolarHBondContact O-N 2.92Å
402	D	92.1	Very high	94	Very high	62 Å²	62	62.9 Å²	62.9	33%	0.332	35%	0.347	S	S	.	.	S	Bend	trans	-94.7	141.5	-168.9	-60.9	2.4	0	0	0	110.2	R375 S398	R375-D402 IonicContact CZ-OD2 3.86Å; R375-D402 IonicContact NH1-OD2 3.21Å; R375-D402 PolarHBondContact NH1-OD2 3.03Å; R375-D402 IonicContact NH2-OD2 2.87Å; S398-D402 WeakPolarHBondContact CB-OD2 3.36Å; S398-D402 VanDerWaalsContact O-CB 3.31Å; S398-D402 WeakPolarHBondContact O-CB 3.48Å; S398-D402 PolarHBondContact O-N 3.49Å; S398-D402 VanDerWaalsContact OG-CG 3.31Å; S398-D402 PolarHBondContact OG-OD2 3.39Å
403	E	91.5	Very high	94.1	Very high	156 Å²	156	56.8 Å²	56.8	73%	0.729	32%	0.318	S	S	*	.			trans	-69.9	149.1	172.2	-69.7	-62	157	0	0	111.1	I405	E403-I405 PolarHBondContact O-N 2.65Å
404	L	92.7	Very high	94.1	Very high	86 Å²	86	53 Å²	53	45%	0.45	30%	0.301	S	S	.	.	S	Bend	trans	-63.3	-32.1	-179.1	-169	66.8	0	0	0	112.6	F514 P547 F549	L404-F514 HydrophobicContact CD1-CD2 3.83Å; L404-F514 HydrophobicContact CD1-CE2 3.43Å; L404-F514 VanDerWaalsContact CD1-CE2 3.43Å; L404-F514 HydrophobicContact CD2-CE2 4.45Å; L404-F514 HydrophobicContact CG-CD2 3.79Å; L404-F514 HydrophobicContact CG-CE2 3.87Å; L404-F514 WeakPolarHBondContact O-CD2 3.31Å; L404-P547 HydrophobicContact CD2-CG 4.23Å; L404-F549 HydrophobicContact CD2-CD2 4.35Å
405	I	95.4	Very high	94.1	Very high	9 Å²	9	50.4 Å²	50.4	5%	0.046	29%	0.285	C	S	.	.	S	Bend	trans	-110	121.1	178.8	-58	-55.1	0	0	0	109	L327 W329 E403 L467 V513 F514 P547 F549	L327-I405 HydrophobicContact CD1-CB 4.36Å; L327-I405 HydrophobicContact CD1-CG2 4.18Å; L327-I405 HydrophobicContact CD2-CG2 3.74Å; W329-I405 HydrophobicContact CH2-CG2 4.25Å; W329-I405 HydrophobicContact CZ2-CG2 4.28Å; E403-I405 PolarHBondContact O-N 2.65Å; I405-L467 HydrophobicContact CD1-CD1 3.7Å; I405-L467 HydrophobicContact CG2-CD1 4.35Å; I405-V513 WeakPolarHBondContact CA-O 3.47Å; I405-F514 HydrophobicContact CD1-CB 3.67Å; I405-P547 HydrophobicContact CD1-CB 4.35Å; I405-P547 HydrophobicContact CD1-CG 3.9Å; I405-P547 HydrophobicContact CG1-CB 4.27Å; I405-P547 HydrophobicContact CG1-CG 3.38Å; I405-F549 HydrophobicContact CD1-CE2 3.65Å; I405-F549 HydrophobicContact CD1-CZ 4.11Å
406	E	95.3	Very high	94.3	Very high	29 Å²	29	48.5 Å²	48.5	14%	0.136	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	137.5	178	-60.9	178.5	-134.8	0	0	110.6	R375 H408 G512 V513	R375-E406 WeakPolarHBondContact CG-OE1 3.3Å; R375-E406 IonicContact CZ-OE1 2.7Å; R375-E406 IonicContact CZ-OE2 2.81Å; R375-E406 VanDerWaalsContact NE-CD 3.28Å; R375-E406 IonicContact NE-OE1 3.66Å; R375-E406 PolarHBondContact NE-OE1 3.1Å; R375-E406 IonicContact NE-OE2 3.5Å; R375-E406 PolarHBondContact NE-OE2 2.97Å; R375-E406 VanDerWaalsContact NE-OE2 3.16Å; R375-E406 IonicContact NH2-OE1 2.84Å; R375-E406 PolarHBondContact NH2-OE1 3.45Å; R375-E406 IonicContact NH2-OE2 3.08Å; R375-E406 PolarHBondContact NH2-OE2 3.3Å; E406-H408 WeakPolarHBondContact CB-NE2 3.28Å; E406-H408 IonicContact OE2-NE2 3.58Å; E406-H408 PolarHBondContact OE2-NE2 3.22Å; E406-G512 CarbonylContact O-C 3.57Å; E406-V513 PolarHBondContact N-O 3.28Å; E406-V513 PolarHBondContact O-N 2.76Å
407	P	96.4	Very high	94.4	Very high	39 Å²	39	44.5 Å²	44.5	25%	0.253	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.7	173.7	35.5	-38.3	0	0	0	110.2	I326 L327 Q510 Q511	I326-P407 HydrophobicContact CG2-CB 4.08Å; I326-P407 HydrophobicContact CG2-CG 3.62Å; I326-P407 WeakPolarHBondContact O-CB 3.33Å; L327-P407 HydrophobicContact CD2-CB 4.14Å; P407-Q510 HydrophobicContact CB-CB 3.94Å; P407-Q510 PolarHBondContact O-OE1 3.42Å; P407-Q511 CarbonylContact C-O 3.56Å; P407-Q511 WeakPolarHBondContact CA-O 3.23Å
408	H	97.3	Very high	94.3	Very high	17 Å²	17	43.8 Å²	43.8	8%	0.079	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	139.3	176	-73.4	-84.7	0	0	0	112	L371 E406 L410 Y413 Q511 V513	L371-H408 HydrophobicContact CD2-CB 4.4Å; E406-H408 WeakPolarHBondContact CB-NE2 3.28Å; E406-H408 IonicContact OE2-NE2 3.58Å; E406-H408 PolarHBondContact OE2-NE2 3.22Å; H408-L410 VanDerWaalsContact C-N 3.33Å; H408-L410 HydrophobicContact CB-CD2 4.07Å; H408-L410 PolarHBondContact O-N 2.92Å; H408-Y413 HydrophobicContact CB-CE2 4.45Å; H408-Q511 PolarHBondContact N-O 2.88Å; H408-Q511 PolarHBondContact O-N 3.15Å; H408-Q511 PolarHBondContact O-OE1 3.22Å; H408-Q511 VanDerWaalsContact O-OE1 3.13Å; H408-V513 HydrophobicContact CB-CG2 3.83Å
409	P	95.8	Very high	94.4	Very high	18 Å²	18	42.7 Å²	42.7	12%	0.117	23%	0.234	C	C	.	.			trans	-75.5	83.3	170.3	31.8	-33.7	0	0	0	109.5	W411 E412 Y413 Q510	P409-W411 PolarHBondContact O-N 3.33Å; P409-E412 HydrophobicContact CB-CG 4.28Å; P409-E412 HydrophobicContact CG-CB 4.42Å; P409-E412 HydrophobicContact CG-CG 4.15Å; P409-E412 VanDerWaalsContact CG-OE1 3.26Å; P409-E412 WeakPolarHBondContact CG-OE1 3.25Å; P409-E412 WeakPolarHBondContact O-CB 3.48Å; P409-E412 PolarHBondContact O-N 2.89Å; P409-Y413 HydrophobicContact CG-CE2 4.13Å; P409-Q510 HydrophobicContact CB-CG 4.32Å
410	L	96.5	Very high	94.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-62.1	-10.5	-169.8	-70.8	-176.3	0	0	0	115.2	F368 L371 H408 E412 Y413 A466 W504 Q511 V513	F368-L410 HydrophobicContact CE1-CD2 3.5Å; F368-L410 VanDerWaalsContact CE1-CD2 3.5Å; F368-L410 HydrophobicContact CZ-CD2 3.88Å; L371-L410 HydrophobicContact CD2-CD2 3.97Å; H408-L410 VanDerWaalsContact C-N 3.33Å; H408-L410 HydrophobicContact CB-CD2 4.07Å; H408-L410 PolarHBondContact O-N 2.92Å; L410-E412 PolarHBondContact O-N 2.77Å; L410-Y413 PolarHBondContact O-N 3.05Å; L410-A466 HydrophobicContact CD1-CB 3.62Å; L410-W504 HydrophobicContact CB-CB 4.18Å; L410-W504 HydrophobicContact CB-CD2 3.73Å; L410-W504 HydrophobicContact CB-CE3 4.49Å; L410-W504 HydrophobicContact CB-CG 3.53Å; L410-W504 HydrophobicContact CD1-CD2 4.05Å; L410-W504 HydrophobicContact CD1-CE3 4.4Å; L410-W504 HydrophobicContact CD1-CH2 4Å; L410-W504 HydrophobicContact CD1-CZ2 3.6Å; L410-W504 HydrophobicContact CD1-CZ3 4.38Å; L410-W504 VanDerWaalsContact O-CD1 3.3Å; L410-Q511 HydrophobicContact CB-CG 4.48Å; L410-Q511 HydrophobicContact CD1-CB 3.62Å; L410-Q511 HydrophobicContact CD1-CG 4.06Å; L410-Q511 HydrophobicContact CG-CB 3.85Å; L410-Q511 HydrophobicContact CG-CG 4.31Å; L410-V513 HydrophobicContact CD1-CG2 4.1Å; L410-V513 HydrophobicContact CD2-CG2 3.56Å; L410-V513 HydrophobicContact CG-CG2 4.07Å
411	W	94	Very high	94.6	Very high	18 Å²	18	38.3 Å²	38.3	7%	0.068	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-65.9	-22.1	169.3	76.2	-92.4	0	0	0	113	M1 I30 I35 R47 P409 W504	M1-W411 HydrophobicContact CE-CH2 3.24Å; M1-W411 HydrophobicContact CE-CZ2 3.67Å; M1-W411 HydrophobicContact CE-CZ3 4.16Å; I30-W411 HydrophobicContact CB-CH2 4.44Å; I30-W411 HydrophobicContact CD1-CH2 4.36Å; I30-W411 HydrophobicContact CG2-CZ2 4.49Å; I35-W411 HydrophobicContact CG1-CZ3 4.13Å; R47-W411 HydrophobicContact CG-CE3 4.38Å; P409-W411 PolarHBondContact O-N 3.33Å; W411-W504 HydrophobicContact CB-CB 4.06Å
412	E	95.4	Very high	94.6	Very high	14 Å²	14	35.4 Å²	35.4	7%	0.065	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-87.8	-8	177.4	-62.1	-169.4	-133.2	0	0	113.4	I30 Q31 E34 M128 P409 L410	I30-E412 VanDerWaalsContact CA-OE2 3.23Å; I30-E412 WeakPolarHBondContact CA-OE2 3.21Å; Q31-E412 HydrophobicContact CB-CB 3.92Å; Q31-E412 HydrophobicContact CB-CG 4.46Å; Q31-E412 HydrophobicContact CG-CB 3.99Å; Q31-E412 WeakPolarHBondContact CG-O 3.33Å; Q31-E412 PolarHBondContact N-OE2 3.32Å; E34-E412 VanDerWaalsContact CG-O 3.31Å; E34-E412 WeakPolarHBondContact CG-O 3.35Å; M128-E412 WeakPolarHBondContact CE-OE2 3.36Å; P409-E412 HydrophobicContact CB-CG 4.28Å; P409-E412 HydrophobicContact CG-CB 4.42Å; P409-E412 HydrophobicContact CG-CG 4.15Å; P409-E412 VanDerWaalsContact CG-OE1 3.26Å; P409-E412 WeakPolarHBondContact CG-OE1 3.25Å; P409-E412 WeakPolarHBondContact O-CB 3.48Å; P409-E412 PolarHBondContact O-N 2.89Å; L410-E412 PolarHBondContact O-N 2.77Å
413	Y	96.7	Very high	94.7	Very high	15 Å²	15	33.3 Å²	33.3	6%	0.059	18%	0.178	C	C	.	.	S	Bend	trans	-129.8	95.8	-171.6	-60	-72.5	0	0	0	111.2	Q31 W123 D125 L371 H408 P409 L410 N415	Q31-Y413 HydrophobicContact CG-CE1 4.28Å; W123-Y413 HydrophobicContact CZ2-CD1 4.16Å; W123-Y413 HydrophobicContact CZ2-CE1 4.13Å; D125-Y413 WeakPolarHBondContact OD1-CE1 3.3Å; D125-Y413 PolarHBondContact OD1-OH 3.49Å; L371-Y413 HydrophobicContact CB-CD1 4.12Å; L371-Y413 HydrophobicContact CB-CG 4.25Å; L371-Y413 HydrophobicContact CD1-CD1 3.83Å; L371-Y413 HydrophobicContact CD1-CD2 4.32Å; L371-Y413 HydrophobicContact CD1-CE1 3.84Å; L371-Y413 HydrophobicContact CD1-CE2 4.33Å; L371-Y413 HydrophobicContact CD1-CG 4.07Å; L371-Y413 HydrophobicContact CD2-CD2 4.29Å; L371-Y413 HydrophobicContact CD2-CG 4.12Å; L371-Y413 HydrophobicContact CG-CD1 4.41Å; L371-Y413 HydrophobicContact CG-CG 4.37Å; H408-Y413 HydrophobicContact CB-CE2 4.45Å; P409-Y413 HydrophobicContact CG-CE2 4.13Å; L410-Y413 PolarHBondContact O-N 3.05Å; Y413-N415 PolarHBondContact O-N 2.8Å; Y413-N415 PolarHBondContact O-ND2 3.12Å
414	P	95.1	Very high	94.8	Very high	39 Å²	39	25.9 Å²	25.9	25%	0.253	14%	0.143	S	C	.	.			trans	-50.7	129.2	179.7	-31.9	37.7	0	0	0	113.1	E34 K369	E34-P414 HydrophobicContact CG-CG 4.38Å; E34-P414 VanDerWaalsContact OE1-CG 3.31Å; E34-P414 WeakPolarHBondContact OE1-CG 3.27Å; E34-P414 WeakPolarHBondContact OE2-CG 3.4Å; K369-P414 HydrophobicContact CB-CB 4.2Å; K369-P414 WeakPolarHBondContact CB-O 3.35Å; K369-P414 HydrophobicContact CD-CB 4.34Å; K369-P414 PolarHBondContact N-O 3.47Å
415	N	95.3	Very high	94.9	Very high	7 Å²	7	21.8 Å²	21.8	4%	0.037	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	152.7	-179.8	56.8	84.2	0	0	0	111.8	V366 D367 F368 Y413 P501 I502 W504	V366-N415 HydrophobicContact CB-CB 4.43Å; D367-N415 VanDerWaalsContact O-CA 3.28Å; D367-N415 WeakPolarHBondContact O-CA 3.23Å; F368-N415 HydrophobicContact CD1-CB 3.59Å; F368-N415 HydrophobicContact CE1-CB 3.85Å; F368-N415 HydrophobicContact CG-CB 4.38Å; Y413-N415 PolarHBondContact O-N 2.8Å; Y413-N415 PolarHBondContact O-ND2 3.12Å; N415-P501 WeakPolarHBondContact O-CA 3.26Å; N415-I502 PolarHBondContact O-N 2.97Å; N415-I502 WeakPolarHBondContact OD1-CB 3.37Å; N415-I502 WeakPolarHBondContact OD1-CD1 3.16Å; N415-W504 PolarHBondContact ND2-NE1 2.95Å; N415-W504 PolarHBondContact OD1-NE1 3.3Å
416	T	94.8	Very high	94.7	Very high	31 Å²	31	21.8 Å²	21.8	19%	0.19	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.2	177.1	-47.2	0	0	0	0	110.3	V366 D367 R418 N499	V366-T416 WeakPolarHBondContact CA-O 3.22Å; D367-T416 PolarHBondContact N-O 3.14Å; D367-T416 PolarHBondContact O-N 3.12Å; T416-R418 PolarHBondContact O-N 3.46Å; T416-N499 VanDerWaalsContact CG2-C 3.42Å; T416-N499 VanDerWaalsContact CG2-O 3.27Å; T416-N499 WeakPolarHBondContact CG2-O 3.37Å
417	A	95.2	Very high	94.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	130.5	173.7	0	0	0	0	0	110.8	I364 T496 N499 E500 I502	I364-A417 HydrophobicContact CD1-CB 3.81Å; A417-T496 HydrophobicContact CB-CG2 4.43Å; A417-N499 VanDerWaalsContact O-CA 3.23Å; A417-N499 WeakPolarHBondContact O-CA 3.05Å; A417-N499 PolarHBondContact O-N 3.38Å; A417-E500 PolarHBondContact N-O 2.95Å; A417-I502 HydrophobicContact CB-CD1 4.02Å; A417-I502 HydrophobicContact CB-CG1 3.92Å
418	R	94.2	Very high	93.8	Very high	32 Å²	32	20.3 Å²	20.3	12%	0.121	11%	0.114	C	C	.	.			trans	-119.2	-2.8	-180	-62.9	-62.1	-172.3	-131.4	-11.2	113.8	L365 D367 T416 A457 S461 V462 L498 N499	L365-R418 HydrophobicContact CB-CB 4.12Å; L365-R418 PolarHBondContact O-N 3.44Å; D367-R418 HydrophobicContact CB-CG 3.83Å; D367-R418 IonicContact OD2-CZ 3.68Å; D367-R418 IonicContact OD2-NE 2.63Å; D367-R418 IonicContact OD2-NH2 3.6Å; D367-R418 PolarHBondContact OD2-NH2 3.15Å; T416-R418 PolarHBondContact O-N 3.46Å; R418-A457 HydrophobicContact CB-CB 4.22Å; R418-A457 VanDerWaalsContact O-CA 3.32Å; R418-A457 WeakPolarHBondContact O-CA 3.47Å; R418-A457 WeakPolarHBondContact O-CB 3.33Å; R418-S461 PolarHBondContact NE-O 3.07Å; R418-S461 VanDerWaalsContact NE-O 3.12Å; R418-V462 HydrophobicContact CB-CG1 4.5Å; R418-V462 HydrophobicContact CB-CG2 3.83Å; R418-V462 HydrophobicContact CG-CG2 4.02Å; R418-L498 WeakPolarHBondContact O-CD1 3.28Å; R418-N499 PolarHBondContact NH1-OD1 3.33Å
419	S	93.3	Very high	93	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.014	11%	0.111	C	C	.	.	S	Bend	trans	-142.2	170.4	167.1	70.4	0	0	0	0	109.9	I364 L365 T456	I364-S419 WeakPolarHBondContact CD1-O 3.32Å; I364-S419 WeakPolarHBondContact CG1-O 3.1Å; L365-S419 PolarHBondContact N-OG 3.27Å; S419-T456 WeakPolarHBondContact CB-O 3.45Å
420	D	92.3	Very high	91.6	Very high	119 Å²	119	19.2 Å²	19.2	64%	0.636	11%	0.108	S	C	*	.			trans	-65.4	150.2	156.8	-63.5	-47.1	0	0	0	109.8
421	A	93.9	Very high	90.1	Very high	27 Å²	27	20.1 Å²	20.1	22%	0.223	11%	0.113	C	C	.	.			trans	-72.7	139.6	171.7	0	0	0	0	0	110.4	Y362 A363 I364 W468	Y362-A421 HydrophobicContact CD1-CB 4.12Å; A363-A421 WeakPolarHBondContact O-CA 3.41Å; I364-A421 HydrophobicContact CB-CB 4.28Å; I364-A421 HydrophobicContact CD1-CB 4.28Å; I364-A421 HydrophobicContact CG1-CB 4.47Å; A421-W468 HydrophobicContact CB-CH2 3.61Å; A421-W468 HydrophobicContact CB-CZ2 4.21Å
422	C	93.1	Very high	88.3	Confident	22 Å²	22	20.4 Å²	20.4	15%	0.149	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	152.3	174.5	76.3	0	0	0	0	111.7	Y362 A363 N453 L455	Y362-C422 CarbonylContact C-O 3.57Å; Y362-C422 VanDerWaalsContact CA-O 3.29Å; Y362-C422 WeakPolarHBondContact CA-O 3.44Å; A363-C422 PolarHBondContact N-O 2.96Å; A363-C422 PolarHBondContact O-N 2.77Å; C422-N453 HydrophobicContact CB-CB 4.15Å; C422-L455 HydrophobicContact CB-CD2 4.31Å; C422-L455 WeakPolarHBondContact SG-CD2 3.24Å
423	V	94.1	Very high	86.4	Confident	18 Å²	18	23.3 Å²	23.3	11%	0.109	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	116.5	176.6	178	0	0	0	0	108.8	R360 I361 Y362 F425 E426 K451 N453	R360-V423 HydrophobicContact CB-CG1 4.22Å; R360-V423 HydrophobicContact CG-CG1 4.14Å; I361-V423 CarbonylContact O-C 3.45Å; I361-V423 WeakPolarHBondContact O-CA 3.36Å; Y362-V423 HydrophobicContact CD1-CG2 4Å; Y362-V423 HydrophobicContact CD2-CG2 4.36Å; Y362-V423 HydrophobicContact CE1-CG2 3.49Å; Y362-V423 VanDerWaalsContact CE1-CG2 3.49Å; Y362-V423 HydrophobicContact CE2-CG2 3.87Å; Y362-V423 HydrophobicContact CG-CG2 4.41Å; Y362-V423 VanDerWaalsContact CZ-CG2 3.41Å; V423-F425 WeakPolarHBondContact CG1-O 3.2Å; V423-E426 HydrophobicContact CG1-CB 4.26Å; V423-K451 HydrophobicContact CG1-CD 4.19Å; V423-K451 WeakPolarHBondContact O-CB 3.4Å; V423-N453 PolarHBondContact O-ND2 3.1Å
424	I	94.6	Very high	84.4	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-12	180	62.5	162.9	0	0	0	113	I361 A363 K451 L467 A534 M536	I361-I424 HydrophobicContact CB-CG1 4.47Å; I361-I424 HydrophobicContact CG2-CD1 4.4Å; I361-I424 HydrophobicContact CG2-CG1 4.21Å; I361-I424 PolarHBondContact O-N 3.45Å; A363-I424 HydrophobicContact CB-CD1 4.13Å; A363-I424 HydrophobicContact CB-CG1 4.34Å; A363-I424 HydrophobicContact CB-CG2 3.7Å; I424-K451 CarbonylContact C-O 3.48Å; I424-K451 WeakPolarHBondContact CA-O 3.36Å; I424-K451 PolarHBondContact O-N 3.21Å; I424-L467 HydrophobicContact CD1-CD2 3.64Å; I424-A534 HydrophobicContact CG2-CB 3.66Å; I424-M536 HydrophobicContact CD1-CB 4.09Å; I424-M536 HydrophobicContact CD1-CE 4.33Å; I424-M536 HydrophobicContact CG1-CB 4.48Å; I424-M536 PolarHBondContact O-N 3.05Å
425	F	94	Very high	82.3	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	137.6	176.8	177.4	-94.2	0	0	0	110	L359 R360 I361 V423 M427 I448 M536 F538 L545	L359-F425 HydrophobicContact CD2-CD1 4.46Å; L359-F425 HydrophobicContact CD2-CE1 3.96Å; L359-F425 HydrophobicContact CG-CE1 4.38Å; R360-F425 WeakPolarHBondContact CA-O 3.37Å; I361-F425 HydrophobicContact CB-CB 4.09Å; I361-F425 HydrophobicContact CD1-CB 4.21Å; I361-F425 HydrophobicContact CD1-CD1 3.73Å; I361-F425 HydrophobicContact CD1-CE1 4.44Å; I361-F425 HydrophobicContact CD1-CG 4.2Å; I361-F425 HydrophobicContact CG1-CB 4.38Å; I361-F425 HydrophobicContact CG1-CD1 4.05Å; I361-F425 PolarHBondContact N-O 3.43Å; V423-F425 WeakPolarHBondContact CG1-O 3.2Å; F425-M427 HydrophobicContact CE1-CB 3.64Å; F425-M427 HydrophobicContact CZ-CB 3.88Å; F425-M427 HydrophobicContact CZ-SD 4.4Å; F425-I448 HydrophobicContact CD2-CG2 4.44Å; F425-I448 HydrophobicContact CE2-CG2 3.48Å; F425-I448 VanDerWaalsContact CE2-CG2 3.48Å; F425-I448 HydrophobicContact CZ-CG2 3.92Å; F425-M536 HydrophobicContact CB-CB 4.19Å; F425-M536 WeakPolarHBondContact CD2-O 3.29Å; F425-F538 HydrophobicContact CE2-CB 3.61Å; F425-F538 HydrophobicContact CE2-CG 4.42Å; F425-F538 HydrophobicContact CZ-CB 3.93Å; F425-F538 HydrophobicContact CZ-CG 4.25Å; F425-L545 HydrophobicContact CD1-CD2 4.35Å; F425-L545 HydrophobicContact CD2-CD2 3.98Å; F425-L545 HydrophobicContact CE1-CD2 4.09Å; F425-L545 HydrophobicContact CE2-CD2 3.7Å; F425-L545 HydrophobicContact CG-CD2 4.28Å; F425-L545 HydrophobicContact CZ-CD2 3.76Å
426	E	91.9	Very high	80.2	Confident	9 Å²	9	29.2 Å²	29.2	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	133.5	172	-178.6	173.2	-121.7	0	0	109.3	R358 L359 R360 V423 H449 K451	R358-E426 HydrophobicContact CG-CG 4.38Å; R358-E426 IonicContact CZ-OE1 3.89Å; R358-E426 IonicContact NE-OE1 2.69Å; R358-E426 PolarHBondContact NE-OE1 2.74Å; R358-E426 IonicContact NH2-OE1 3.78Å; R358-E426 IonicContact NH2-OE2 3.16Å; L359-E426 CarbonylContact O-C 3.54Å; L359-E426 WeakPolarHBondContact O-CA 3.25Å; R360-E426 HydrophobicContact CG-CB 4.34Å; R360-E426 HydrophobicContact CG-CG 4.02Å; R360-E426 IonicContact CZ-OE1 2.74Å; R360-E426 IonicContact NE-OE1 3.99Å; R360-E426 PolarHBondContact NE-OE1 2.82Å; R360-E426 IonicContact NH2-OE1 3.47Å; R360-E426 PolarHBondContact NH2-OE1 3.35Å; V423-E426 HydrophobicContact CG1-CB 4.26Å; E426-H449 HydrophobicContact CB-CB 4.44Å; E426-H449 PolarHBondContact N-O 3Å; E426-H449 CarbonylContact O-C 3.48Å; E426-H449 WeakPolarHBondContact O-CA 3.42Å; E426-H449 PolarHBondContact O-N 2.75Å; E426-K451 IonicContact OE1-NZ 2.82Å; E426-K451 VanDerWaalsContact OE2-CE 3.22Å; E426-K451 WeakPolarHBondContact OE2-CE 3.19Å; E426-K451 IonicContact OE2-NZ 3.35Å; E426-K451 PolarHBondContact OE2-NZ 2.81Å
427	M	89	Confident	78.1	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124	176.1	-177.3	-179.5	-174	0	0	109.2	L332 W335 R358 L359 F425 L429 L447 I448 F538	L332-M427 HydrophobicContact CD2-SD 4.1Å; W335-M427 HydrophobicContact CD2-CE 3.49Å; W335-M427 VanDerWaalsContact CD2-CE 3.49Å; W335-M427 HydrophobicContact CE3-CE 3.68Å; W335-M427 HydrophobicContact CG-CE 4.23Å; W335-M427 HydrophobicContact CH2-CE 3.35Å; W335-M427 HydrophobicContact CZ2-CE 3.19Å; W335-M427 HydrophobicContact CZ3-CE 3.62Å; R358-M427 CarbonylContact C-O 3.53Å; R358-M427 VanDerWaalsContact CA-O 3.31Å; R358-M427 WeakPolarHBondContact CA-O 3.21Å; R358-M427 WeakPolarHBondContact CG-O 3.49Å; L359-M427 HydrophobicContact CB-CB 4.31Å; L359-M427 PolarHBondContact N-O 3.08Å; L359-M427 PolarHBondContact O-N 3.01Å; F425-M427 HydrophobicContact CE1-CB 3.64Å; F425-M427 HydrophobicContact CZ-CB 3.88Å; F425-M427 HydrophobicContact CZ-SD 4.4Å; M427-L429 HydrophobicContact CE-CD2 3.67Å; M427-L429 HydrophobicContact CG-CD2 3.8Å; M427-L429 HydrophobicContact SD-CD2 3.71Å; M427-L447 CarbonylContact C-O 3.5Å; M427-L447 WeakPolarHBondContact CA-O 3.32Å; M427-I448 HydrophobicContact CE-CG1 4.27Å; M427-I448 HydrophobicContact CG-CG1 4.14Å; M427-I448 HydrophobicContact SD-CG1 4.45Å; M427-F538 HydrophobicContact CE-CE1 4.11Å; M427-F538 HydrophobicContact SD-CE1 4.38Å
428	V	84.3	Confident	75.8	Confident	38 Å²	38	40 Å²	40	23%	0.23	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	130.5	168.9	-176.8	0	0	0	0	107.5	P430 L447	V428-P430 VanDerWaalsContact C-CD 3.46Å; V428-P430 WeakPolarHBondContact O-CD 3.47Å; V428-L447 PolarHBondContact N-O 2.88Å
429	L	79.6	Confident	73.6	Confident	1 Å²	1	41 Å²	41	1%	0.005	25%	0.253	C	S	.	.			trans	-109.9	79.1	178.7	-51.3	169.4	0	0	0	106.9	F334 W335 L353 P356 V357 M427 W471	F334-L429 HydrophobicContact CE2-CD1 3.94Å; F334-L429 HydrophobicContact CZ-CD1 3.64Å; W335-L429 HydrophobicContact CB-CD2 4.3Å; W335-L429 HydrophobicContact CD2-CD2 4.44Å; W335-L429 HydrophobicContact CG-CD2 3.85Å; L353-L429 HydrophobicContact CD2-CB 3.58Å; P356-L429 HydrophobicContact CG-CD1 4.49Å; V357-L429 WeakPolarHBondContact O-CB 3.23Å; V357-L429 PolarHBondContact O-N 2.84Å; M427-L429 HydrophobicContact CE-CD2 3.67Å; M427-L429 HydrophobicContact CG-CD2 3.8Å; M427-L429 HydrophobicContact SD-CD2 3.71Å; L429-W471 HydrophobicContact CD1-CZ3 4.29Å
430	P	66.8	Low	71.5	Confident	10 Å²	10	47.3 Å²	47.3	7%	0.065	28%	0.282	C	S	.	.			trans	-66.8	152.9	-171	31.1	-40.5	0	0	0	112.1	V428 D434 L435 L447	V428-P430 VanDerWaalsContact C-CD 3.46Å; V428-P430 WeakPolarHBondContact O-CD 3.47Å; P430-D434 HydrophobicContact CB-CB 3.88Å; P430-L435 HydrophobicContact CB-CD2 3.89Å; P430-L435 HydrophobicContact CB-CG 4.01Å; P430-L435 HydrophobicContact CG-CD1 4.18Å; P430-L435 HydrophobicContact CG-CD2 3.23Å; P430-L435 HydrophobicContact CG-CG 3.71Å; P430-L447 HydrophobicContact CB-CD2 4.44Å; P430-L447 HydrophobicContact CG-CD1 3.89Å; P430-L447 HydrophobicContact CG-CD2 3.52Å; P430-L447 HydrophobicContact CG-CG 4.32Å
431	N	64	Low	69.4	Low	21 Å²	21	46 Å²	46	11%	0.112	27%	0.269	C	S	.	.			trans	-73.4	161.1	166.6	-74.8	-60.1	0	0	0	111.1	Y352 L353 S433 D434 L435	Y352-N431 HydrophobicContact CD1-CB 4.42Å; L353-N431 WeakPolarHBondContact CA-OD1 3.33Å; L353-N431 PolarHBondContact N-OD1 3.31Å; L353-N431 PolarHBondContact O-OD1 3.39Å; N431-S433 PolarHBondContact O-N 2.99Å; N431-S433 VanDerWaalsContact O-N 3.15Å; N431-D434 PolarHBondContact N-OD2 3.37Å; N431-D434 VanDerWaalsContact N-OD2 3.12Å; N431-D434 WeakPolarHBondContact O-CB 3.37Å; N431-D434 PolarHBondContact O-N 2.89Å; N431-L435 WeakPolarHBondContact O-CG 3.16Å; N431-L435 PolarHBondContact O-N 3.07Å
432	S	57.1	Low	67.2	Low	24 Å²	24	49.7 Å²	49.7	17%	0.168	29%	0.289	C	S	.	.	H	α-helix	trans	-51.1	-37.9	171.7	62	0	0	0	0	112.5	L351 D434 L435	L351-S432 VanDerWaalsContact O-CB 3.24Å; L351-S432 WeakPolarHBondContact O-CB 3.24Å; L351-S432 PolarHBondContact O-OG 3.04Å; S432-D434 VanDerWaalsContact C-N 3.26Å; S432-D434 PolarHBondContact O-N 2.98Å; S432-L435 PolarHBondContact O-N 3.19Å
433	S	55.6	Low	65.6	Low	75 Å²	75	51.2 Å²	51.2	52%	0.524	30%	0.295	S	S	.	.	H	α-helix	trans	-62.1	-31.3	176.9	56.1	0	0	0	0	113.6	N431	N431-S433 PolarHBondContact O-N 2.99Å; N431-S433 VanDerWaalsContact O-N 3.15Å
434	D	53.6	Low	63.7	Low	109 Å²	109	51.2 Å²	51.2	58%	0.583	30%	0.296	S	S	*	.	H	α-helix	trans	-86.7	-20.7	-177.2	-52	-30.1	0	0	0	111.6	P430 N431 S432	P430-D434 HydrophobicContact CB-CB 3.88Å; N431-D434 PolarHBondContact N-OD2 3.37Å; N431-D434 VanDerWaalsContact N-OD2 3.12Å; N431-D434 WeakPolarHBondContact O-CB 3.37Å; N431-D434 PolarHBondContact O-N 2.89Å; S432-D434 VanDerWaalsContact C-N 3.26Å; S432-D434 PolarHBondContact O-N 2.98Å
435	L	52.1	Low	61.9	Low	27 Å²	27	59.9 Å²	59.9	14%	0.141	33%	0.334	C	S	.	.	H	α-helix	trans	-77.6	-23.7	-178.1	-71.8	175.5	0	0	0	112.5	L342 P430 N431 S432 F439 L447	L342-L435 HydrophobicContact CD1-CD1 3.93Å; P430-L435 HydrophobicContact CB-CD2 3.89Å; P430-L435 HydrophobicContact CB-CG 4.01Å; P430-L435 HydrophobicContact CG-CD1 4.18Å; P430-L435 HydrophobicContact CG-CD2 3.23Å; P430-L435 HydrophobicContact CG-CG 3.71Å; N431-L435 WeakPolarHBondContact O-CG 3.16Å; N431-L435 PolarHBondContact O-N 3.07Å; S432-L435 PolarHBondContact O-N 3.19Å; L435-F439 HydrophobicContact CB-CB 3.78Å; L435-F439 HydrophobicContact CB-CD1 4.4Å; L435-F439 HydrophobicContact CB-CD2 4.45Å; L435-F439 HydrophobicContact CB-CG 3.97Å; L435-F439 HydrophobicContact CD1-CD1 3.96Å; L435-F439 HydrophobicContact CD1-CE1 4.23Å; L435-F439 HydrophobicContact CD1-CG 4.35Å; L435-F439 HydrophobicContact CD2-CB 4.41Å; L435-F439 HydrophobicContact CD2-CD1 3.91Å; L435-F439 HydrophobicContact CD2-CD2 3.54Å; L435-F439 HydrophobicContact CD2-CE1 4Å; L435-F439 HydrophobicContact CD2-CE2 3.62Å; L435-F439 HydrophobicContact CD2-CG 3.68Å; L435-F439 HydrophobicContact CD2-CZ 3.86Å; L435-F439 HydrophobicContact CG-CD1 4.31Å; L435-F439 HydrophobicContact CG-CG 4.21Å; L435-F439 WeakPolarHBondContact O-CB 3.31Å; L435-L447 HydrophobicContact CD2-CD1 4.31Å; L435-L447 HydrophobicContact CD2-CD2 4.23Å
436	G	50.8	Low	60.4	Low	48 Å²	48	66.2 Å²	66.2	50%	0.495	36%	0.362	S	S	.	.			trans	70.5	165.9	-172.4	0	0	0	0	0	112.3	D438	G436-D438 PolarHBondContact O-N 3.31Å
437	S	50.9	Low	59.2	Low	119 Å²	119	66.4 Å²	66.4	83%	0.832	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.6	-177.6	54.3	0	0	0	0	114.2
438	D	47.4	Very low	58.5	Low	140 Å²	140	67.5 Å²	67.5	75%	0.749	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	9.7	-167.8	-58.6	-7.6	0	0	0	112.6	G436 Q440	G436-D438 PolarHBondContact O-N 3.31Å; D438-Q440 PolarHBondContact O-N 3.08Å; D438-Q440 VanDerWaalsContact O-N 3.16Å
439	F	46.9	Very low	58	Low	52 Å²	52	69.2 Å²	69.2	23%	0.228	37%	0.374	C	S	.	.			trans	-64.7	119.1	-178.6	-176.4	-105.6	0	0	0	111.5	L435 D443 L447	L435-F439 HydrophobicContact CB-CB 3.78Å; L435-F439 HydrophobicContact CB-CD1 4.4Å; L435-F439 HydrophobicContact CB-CD2 4.45Å; L435-F439 HydrophobicContact CB-CG 3.97Å; L435-F439 HydrophobicContact CD1-CD1 3.96Å; L435-F439 HydrophobicContact CD1-CE1 4.23Å; L435-F439 HydrophobicContact CD1-CG 4.35Å; L435-F439 HydrophobicContact CD2-CB 4.41Å; L435-F439 HydrophobicContact CD2-CD1 3.91Å; L435-F439 HydrophobicContact CD2-CD2 3.54Å; L435-F439 HydrophobicContact CD2-CE1 4Å; L435-F439 HydrophobicContact CD2-CE2 3.62Å; L435-F439 HydrophobicContact CD2-CG 3.68Å; L435-F439 HydrophobicContact CD2-CZ 3.86Å; L435-F439 HydrophobicContact CG-CD1 4.31Å; L435-F439 HydrophobicContact CG-CG 4.21Å; L435-F439 WeakPolarHBondContact O-CB 3.31Å; F439-D443 HydrophobicContact CD2-CB 4.18Å; F439-D443 HydrophobicContact CE2-CB 3.91Å; F439-L447 HydrophobicContact CE2-CD1 4.03Å; F439-L447 HydrophobicContact CE2-CG 4.38Å; F439-L447 HydrophobicContact CZ-CD1 3.6Å; F439-L447 HydrophobicContact CZ-CG 4.39Å
440	Q	49.1	Very low	57.8	Low	135 Å²	135	72 Å²	72	63%	0.631	39%	0.393	S	S	*	.			trans	-105.8	145.3	169.3	-63.9	-173.6	3	0	0	109	D438 T442 D443	D438-Q440 PolarHBondContact O-N 3.08Å; D438-Q440 VanDerWaalsContact O-N 3.16Å; Q440-T442 PolarHBondContact O-N 2.92Å; Q440-D443 PolarHBondContact O-N 3.29Å
441	Y	48.9	Very low	58.4	Low	90 Å²	90	74.8 Å²	74.8	35%	0.353	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-43.6	-32.2	176	-173.9	-94.4	0	0	0	113.8	D443 I540 F541	Y441-D443 VanDerWaalsContact C-N 3.26Å; Y441-D443 PolarHBondContact O-N 3.28Å; Y441-I540 HydrophobicContact CE1-CD1 4.1Å; Y441-I540 HydrophobicContact CE1-CG1 4.21Å; Y441-I540 HydrophobicContact CE1-CG2 4.06Å; Y441-I540 HydrophobicContact CE2-CD1 4.17Å; Y441-I540 HydrophobicContact CE2-CG1 4.34Å; Y441-I540 PolarHBondContact OH-O 3.35Å; Y441-F541 HydrophobicContact CD1-CE1 4.3Å; Y441-F541 HydrophobicContact CE1-CD1 4Å; Y441-F541 AromaticContact CE1-CE1 3.52Å; Y441-F541 HydrophobicContact CE1-CE1 3.52Å; Y441-F541 AromaticContact CE1-CZ 3.98Å; Y441-F541 HydrophobicContact CE1-CZ 3.98Å
442	T	47.2	Very low	59.5	Low	106 Å²	106	80.5 Å²	80.5	65%	0.65	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-69.6	-11.7	-179.3	51.5	0	0	0	0	115.1	Q440 S444	Q440-T442 PolarHBondContact O-N 2.92Å; T442-S444 PolarHBondContact O-N 2.81Å
443	D	58.9	Low	61.2	Low	53 Å²	53	82.2 Å²	82.2	28%	0.283	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-89.8	18.8	178.4	-148.5	3.4	0	0	0	112.9	F439 Q440 Y441 K445 K446	F439-D443 HydrophobicContact CD2-CB 4.18Å; F439-D443 HydrophobicContact CE2-CB 3.91Å; Q440-D443 PolarHBondContact O-N 3.29Å; Y441-D443 VanDerWaalsContact C-N 3.26Å; Y441-D443 PolarHBondContact O-N 3.28Å; D443-K445 PolarHBondContact O-N 2.77Å; D443-K446 WeakPolarHBondContact O-CB 3.32Å; D443-K446 PolarHBondContact O-N 2.9Å; D443-K446 WeakPolarHBondContact OD1-CD 3.4Å; D443-K446 WeakPolarHBondContact OD1-CE 3.29Å; D443-K446 WeakPolarHBondContact OD1-CG 3.15Å; D443-K446 IonicContact OD1-NZ 2.86Å; D443-K446 VanDerWaalsContact OD2-CD 3.29Å; D443-K446 WeakPolarHBondContact OD2-CD 3.25Å; D443-K446 WeakPolarHBondContact OD2-CE 3.34Å; D443-K446 IonicContact OD2-NZ 3.64Å; D443-K446 PolarHBondContact OD2-NZ 2.81Å
444	S	55	Low	62.9	Low	19 Å²	19	81.4 Å²	81.4	13%	0.133	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-53.6	-26.6	177.4	63	0	0	0	0	114.1	T442 K446 L447 I448	T442-S444 PolarHBondContact O-N 2.81Å; S444-K446 PolarHBondContact O-N 3.41Å; S444-K446 VanDerWaalsContact O-N 3.15Å; S444-L447 PolarHBondContact O-N 3.25Å; S444-I448 PolarHBondContact O-N 3.22Å
445	K	57.7	Low	64.8	Low	181 Å²	181	76.3 Å²	76.3	79%	0.787	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-58.6	-23.2	173.6	-68.6	-173	179.1	-178.5	0	113.6	D443	D443-K445 PolarHBondContact O-N 2.77Å
446	K	62.1	Low	66.7	Low	134 Å²	134	77.8 Å²	77.8	58%	0.583	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-80.2	-23.1	173.3	-69.3	-177.5	-172.4	162.2	0	113.1	D443 S444	D443-K446 WeakPolarHBondContact O-CB 3.32Å; D443-K446 PolarHBondContact O-N 2.9Å; D443-K446 WeakPolarHBondContact OD1-CD 3.4Å; D443-K446 WeakPolarHBondContact OD1-CE 3.29Å; D443-K446 WeakPolarHBondContact OD1-CG 3.15Å; D443-K446 IonicContact OD1-NZ 2.86Å; D443-K446 VanDerWaalsContact OD2-CD 3.29Å; D443-K446 WeakPolarHBondContact OD2-CD 3.25Å; D443-K446 WeakPolarHBondContact OD2-CE 3.34Å; D443-K446 IonicContact OD2-NZ 3.64Å; D443-K446 PolarHBondContact OD2-NZ 2.81Å; S444-K446 PolarHBondContact O-N 3.41Å; S444-K446 VanDerWaalsContact O-N 3.15Å
447	L	66.7	Low	68.6	Low	13 Å²	13	75.6 Å²	75.6	7%	0.068	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-31.5	-175.5	-54	-169.6	0	0	0	112	M427 V428 P430 L435 F439 S444	M427-L447 CarbonylContact C-O 3.5Å; M427-L447 WeakPolarHBondContact CA-O 3.32Å; V428-L447 PolarHBondContact N-O 2.88Å; P430-L447 HydrophobicContact CB-CD2 4.44Å; P430-L447 HydrophobicContact CG-CD1 3.89Å; P430-L447 HydrophobicContact CG-CD2 3.52Å; P430-L447 HydrophobicContact CG-CG 4.32Å; L435-L447 HydrophobicContact CD2-CD1 4.31Å; L435-L447 HydrophobicContact CD2-CD2 4.23Å; F439-L447 HydrophobicContact CE2-CD1 4.03Å; F439-L447 HydrophobicContact CE2-CG 4.38Å; F439-L447 HydrophobicContact CZ-CD1 3.6Å; F439-L447 HydrophobicContact CZ-CG 4.39Å; S444-L447 PolarHBondContact O-N 3.25Å
448	I	73.3	Confident	69.8	Low	22 Å²	22	73.8 Å²	73.8	11%	0.113	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.1	-175.4	-59.3	149	0	0	0	109.1	F425 M427 S444 F538	F425-I448 HydrophobicContact CD2-CG2 4.44Å; F425-I448 HydrophobicContact CE2-CG2 3.48Å; F425-I448 VanDerWaalsContact CE2-CG2 3.48Å; F425-I448 HydrophobicContact CZ-CG2 3.92Å; M427-I448 HydrophobicContact CE-CG1 4.27Å; M427-I448 HydrophobicContact CG-CG1 4.14Å; M427-I448 HydrophobicContact SD-CG1 4.45Å; S444-I448 PolarHBondContact O-N 3.22Å; I448-F538 HydrophobicContact CD1-CD1 3.55Å; I448-F538 HydrophobicContact CD1-CE1 4.11Å; I448-F538 HydrophobicContact CG1-CD1 4.04Å; I448-F538 HydrophobicContact CG2-CB 4.35Å
449	H	74.8	Confident	70.9	Confident	75 Å²	75	68.8 Å²	68.8	35%	0.347	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	92.3	173.4	-57.4	-54.1	0	0	0	109	E426 K451	E426-H449 HydrophobicContact CB-CB 4.44Å; E426-H449 PolarHBondContact N-O 3Å; E426-H449 CarbonylContact O-C 3.48Å; E426-H449 WeakPolarHBondContact O-CA 3.42Å; E426-H449 PolarHBondContact O-N 2.75Å; H449-K451 PolarHBondContact O-N 3.46Å
450	C	75.3	Confident	72	Confident	59 Å²	59	71.9 Å²	71.9	40%	0.399	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	115.8	165.8	-57.9	0	0	0	0	108.1	M536 D537	C450-M536 PolarHBondContact SG-O 3.4Å; C450-D537 PolarHBondContact SG-OD1 3.12Å
451	K	79.2	Confident	73.7	Confident	69 Å²	69	67.9 Å²	67.9	30%	0.3	37%	0.367	S	S	.	.			trans	-104.1	106.1	-178.3	-70.4	-171.6	-176.1	176.2	0	109.2	V423 I424 E426 H449 N453	V423-K451 HydrophobicContact CG1-CD 4.19Å; V423-K451 WeakPolarHBondContact O-CB 3.4Å; I424-K451 CarbonylContact C-O 3.48Å; I424-K451 WeakPolarHBondContact CA-O 3.36Å; I424-K451 PolarHBondContact O-N 3.21Å; E426-K451 IonicContact OE1-NZ 2.82Å; E426-K451 VanDerWaalsContact OE2-CE 3.22Å; E426-K451 WeakPolarHBondContact OE2-CE 3.19Å; E426-K451 IonicContact OE2-NZ 3.35Å; E426-K451 PolarHBondContact OE2-NZ 2.81Å; H449-K451 PolarHBondContact O-N 3.46Å; K451-N453 PolarHBondContact O-N 3.01Å
452	Q	86.7	Confident	75.7	Confident	141 Å²	141	64.1 Å²	64.1	66%	0.659	35%	0.354	S	S	*	.			trans	-75.9	108.7	168.9	-170.7	175.4	-4.9	0	0	109.3	S533 C535	Q452-S533 WeakPolarHBondContact CG-OG 3.23Å; Q452-S533 PolarHBondContact NE2-OG 2.9Å; Q452-C535 HydrophobicContact CB-CB 4.24Å; Q452-C535 HydrophobicContact CG-CB 4.42Å
453	N	92.4	Very high	78	Confident	59 Å²	59	60.2 Å²	60.2	32%	0.316	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	158.9	177.7	-86.9	-42.7	0	0	0	111.1	C422 V423 K451 S533 A534	C422-N453 HydrophobicContact CB-CB 4.15Å; V423-N453 PolarHBondContact O-ND2 3.1Å; K451-N453 PolarHBondContact O-N 3.01Å; N453-S533 WeakPolarHBondContact O-CA 3.45Å; N453-A534 PolarHBondContact N-O 3.26Å; N453-A534 PolarHBondContact O-N 2.99Å
454	T	92.6	Very high	79.8	Confident	58 Å²	58	57.7 Å²	57.7	36%	0.356	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	117.1	176.6	-57.9	0	0	0	0	109.7	R531 I532 L552	T454-R531 HydrophobicContact CG2-CB 4.09Å; T454-I532 CarbonylContact C-O 3.54Å; T454-I532 WeakPolarHBondContact CA-O 3.44Å; T454-L552 HydrophobicContact CG2-CD1 3.74Å
455	L	93.5	Very high	81.8	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	134.1	167.3	-63.1	163.4	0	0	0	108.7	A363 L365 C422 I465 R531 I532 A534	A363-L455 HydrophobicContact CB-CD1 4.05Å; L365-L455 HydrophobicContact CD1-CB 3.68Å; L365-L455 HydrophobicContact CD2-CB 4.33Å; L365-L455 HydrophobicContact CD2-CD1 4.24Å; L365-L455 HydrophobicContact CG-CB 3.71Å; L365-L455 HydrophobicContact CG-CD1 4.14Å; L365-L455 HydrophobicContact CG-CG 4.42Å; C422-L455 HydrophobicContact CB-CD2 4.31Å; C422-L455 WeakPolarHBondContact SG-CD2 3.24Å; L455-I465 HydrophobicContact CD1-CD1 4.27Å; L455-I465 HydrophobicContact CD1-CG1 4.4Å; L455-I465 HydrophobicContact CD1-CG2 4.38Å; L455-R531 WeakPolarHBondContact O-CA 3.34Å; L455-I532 PolarHBondContact N-O 2.83Å; L455-I532 PolarHBondContact O-N 3.2Å; L455-A534 HydrophobicContact CD1-CB 4.06Å
456	T	92.1	Very high	83.6	Confident	59 Å²	59	48.2 Å²	48.2	36%	0.362	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131	-177.8	-55.6	0	0	0	0	110	S419 L529 L530 R531	S419-T456 WeakPolarHBondContact CB-O 3.45Å; T456-L529 HydrophobicContact CG2-CD1 3.63Å; T456-L529 HydrophobicContact CG2-CD2 4Å; T456-L529 HydrophobicContact CG2-CG 3.85Å; T456-L530 WeakPolarHBondContact CA-O 3.38Å; T456-R531 HydrophobicContact CG2-CG 4.14Å
457	A	89.7	Confident	85.3	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.008	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.9	175.8	0	0	0	0	0	110.3	L365 R418 V462 L530	L365-A457 HydrophobicContact CD1-CB 3.72Å; R418-A457 HydrophobicContact CB-CB 4.22Å; R418-A457 VanDerWaalsContact O-CA 3.32Å; R418-A457 WeakPolarHBondContact O-CA 3.47Å; R418-A457 WeakPolarHBondContact O-CB 3.33Å; A457-V462 HydrophobicContact CB-CG2 3.79Å; A457-L530 HydrophobicContact CB-CB 4.39Å; A457-L530 PolarHBondContact N-O 3.33Å; A457-L530 PolarHBondContact O-N 3.33Å
458	S	75.5	Confident	86.7	Confident	82 Å²	82	41.4 Å²	41.4	57%	0.573	24%	0.242	S	C	*	.			trans	-92	-5.9	172.9	55.2	0	0	0	0	113.2
459	S	71.6	Confident	87.7	Confident	34 Å²	34	40.4 Å²	40.4	24%	0.238	24%	0.237	C	C	.	.			trans	-88.1	142.5	-179.2	-172.3	0	0	0	0	111.1	S461	S459-S461 VanDerWaalsContact C-N 3.26Å; S459-S461 PolarHBondContact O-N 2.86Å; S459-S461 PolarHBondContact OG-N 3.48Å
460	S	70.3	Confident	88.6	Confident	117 Å²	117	38 Å²	38	82%	0.818	23%	0.225	S	C	*	.	S	Bend	trans	-71.3	-19.1	172.2	54.8	0	0	0	0	113.4
461	S	83.8	Confident	89.5	Confident	51 Å²	51	35.2 Å²	35.2	36%	0.357	21%	0.206	S	C	.	.			trans	-103.6	93.4	-179	-164.6	0	0	0	0	110.3	D367 R418 S459	D367-S461 WeakPolarHBondContact CB-O 3.24Å; D367-S461 PolarHBondContact OD1-OG 2.78Å; D367-S461 VanDerWaalsContact OD1-OG 3.12Å; D367-S461 VanDerWaalsContact OD2-CB 3.25Å; D367-S461 WeakPolarHBondContact OD2-CB 3.36Å; D367-S461 PolarHBondContact OD2-OG 2.98Å; R418-S461 PolarHBondContact NE-O 3.07Å; R418-S461 VanDerWaalsContact NE-O 3.12Å; S459-S461 VanDerWaalsContact C-N 3.26Å; S459-S461 PolarHBondContact O-N 2.86Å; S459-S461 PolarHBondContact OG-N 3.48Å
462	V	92.1	Very high	90	Very high	12 Å²	12	33 Å²	33	7%	0.073	20%	0.198	C	C	.	.			trans	-137.7	130.4	170.7	-169.7	0	0	0	0	107.4	L365 V366 R418 A457 F516 L530	L365-V462 HydrophobicContact CB-CG1 3.93Å; L365-V462 HydrophobicContact CD2-CG1 4.06Å; L365-V462 HydrophobicContact CG-CG1 4.43Å; V366-V462 WeakPolarHBondContact O-CG1 3.43Å; R418-V462 HydrophobicContact CB-CG1 4.5Å; R418-V462 HydrophobicContact CB-CG2 3.83Å; R418-V462 HydrophobicContact CG-CG2 4.02Å; A457-V462 HydrophobicContact CB-CG2 3.79Å; V462-F516 HydrophobicContact CB-CE2 4.06Å; V462-F516 HydrophobicContact CG1-CE2 3.58Å; V462-F516 HydrophobicContact CG1-CZ 3.85Å; V462-L530 HydrophobicContact CB-CD2 3.9Å; V462-L530 HydrophobicContact CG1-CD2 4.15Å; V462-L530 HydrophobicContact CG2-CD2 4.06Å
463	N	94.5	Very high	90	Very high	24 Å²	24	26.4 Å²	26.4	13%	0.128	17%	0.167	C	C	.	.			trans	-137.5	4.3	-174.5	56.6	33.1	0	0	0	114.3	V366 D367 F368 W372 F516	V366-N463 PolarHBondContact O-N 3.07Å; V366-N463 VanDerWaalsContact O-N 3.08Å; V366-N463 PolarHBondContact O-OD1 2.86Å; D367-N463 PolarHBondContact OD1-ND2 2.91Å; F368-N463 WeakPolarHBondContact CB-OD1 3.43Å; F368-N463 WeakPolarHBondContact CD2-OD1 3.48Å; F368-N463 PolarHBondContact N-OD1 3.1Å; F368-N463 PolarHBondContact O-ND2 3.35Å; W372-N463 HydrophobicContact CB-CB 4.01Å; W372-N463 HydrophobicContact CG-CB 4.4Å; N463-F516 PolarHBondContact O-N 3.44Å
464	G	96.1	Very high	88.9	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171	-178.1	170.5	0	0	0	0	0	114.4	V366 F514	V366-G464 WeakPolarHBondContact CG2-O 3.34Å; V366-G464 PolarHBondContact N-O 3.04Å; V366-G464 PolarHBondContact O-N 3.33Å; G464-F514 CarbonylContact C-O 3.48Å; G464-F514 WeakPolarHBondContact CA-O 3.26Å
465	I	97.1	Very high	87.5	Confident	0 Å²	0	25 Å²	25	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.3	171	-62.1	165.6	0	0	0	107.7	A363 I364 L365 L455 L467 V513 F514 F516 I532 F549	A363-I465 HydrophobicContact CB-CG2 3.8Å; I364-I465 VanDerWaalsContact O-CA 3.32Å; I364-I465 WeakPolarHBondContact O-CA 3.42Å; L365-I465 HydrophobicContact CD2-CD1 4.3Å; L365-I465 HydrophobicContact CD2-CG1 3.7Å; L455-I465 HydrophobicContact CD1-CD1 4.27Å; L455-I465 HydrophobicContact CD1-CG1 4.4Å; L455-I465 HydrophobicContact CD1-CG2 4.38Å; I465-L467 HydrophobicContact CG2-CD1 4.08Å; I465-L467 HydrophobicContact CG2-CG 4.23Å; I465-V513 WeakPolarHBondContact O-CA 3.26Å; I465-F514 HydrophobicContact CB-CB 4.24Å; I465-F514 HydrophobicContact CB-CD1 4.49Å; I465-F514 HydrophobicContact CD1-CD1 3.9Å; I465-F514 HydrophobicContact CG1-CD1 4.32Å; I465-F514 PolarHBondContact N-O 2.82Å; I465-F514 PolarHBondContact O-N 2.87Å; I465-F516 HydrophobicContact CD1-CE1 4.18Å; I465-F516 HydrophobicContact CG1-CE1 3.9Å; I465-F516 HydrophobicContact CG1-CZ 4.39Å; I465-I532 HydrophobicContact CD1-CG2 4.33Å; I465-F549 HydrophobicContact CD1-CB 4.33Å; I465-F549 HydrophobicContact CD1-CD1 3.41Å; I465-F549 VanDerWaalsContact CD1-CD1 3.41Å; I465-F549 HydrophobicContact CD1-CD2 4.33Å; I465-F549 HydrophobicContact CD1-CE1 3.69Å; I465-F549 HydrophobicContact CD1-CG 3.77Å; I465-F549 HydrophobicContact CD1-CZ 4.26Å; I465-F549 HydrophobicContact CG2-CE1 4.3Å; I465-F549 HydrophobicContact CG2-CZ 4.47Å
466	A	97.2	Very high	85.9	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	140	169.5	0	0	0	0	0	110.1	A363 I364 V366 L410 W504 G512	A363-A466 WeakPolarHBondContact CA-O 3.14Å; I364-A466 HydrophobicContact CG2-CB 3.98Å; I364-A466 PolarHBondContact N-O 3.49Å; I364-A466 PolarHBondContact O-N 3.22Å; V366-A466 HydrophobicContact CG1-CB 3.97Å; V366-A466 HydrophobicContact CG2-CB 4.33Å; L410-A466 HydrophobicContact CD1-CB 3.62Å; A466-W504 HydrophobicContact CB-CH2 3.77Å; A466-W504 HydrophobicContact CB-CZ2 3.65Å; A466-G512 CarbonylContact C-O 3.58Å
467	L	97.1	Very high	83.9	Confident	0 Å²	0	26 Å²	26	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.8	-177.4	-60.2	101.9	0	0	0	111.8	W329 I361 Y362 A363 I405 I424 I465 Q511 G512 M536 F549	W329-L467 HydrophobicContact CH2-CB 3.83Å; W329-L467 HydrophobicContact CH2-CD2 4.11Å; W329-L467 HydrophobicContact CZ3-CB 3.89Å; I361-L467 HydrophobicContact CG2-CD2 4.4Å; Y362-L467 VanDerWaalsContact O-CA 3.27Å; Y362-L467 WeakPolarHBondContact O-CA 3.13Å; A363-L467 HydrophobicContact CB-CD2 4.49Å; I405-L467 HydrophobicContact CD1-CD1 3.7Å; I405-L467 HydrophobicContact CG2-CD1 4.35Å; I424-L467 HydrophobicContact CD1-CD2 3.64Å; I465-L467 HydrophobicContact CG2-CD1 4.08Å; I465-L467 HydrophobicContact CG2-CG 4.23Å; L467-Q511 WeakPolarHBondContact O-CB 3.44Å; L467-G512 PolarHBondContact N-O 2.87Å; L467-G512 PolarHBondContact O-N 3.11Å; L467-M536 HydrophobicContact CD2-CE 4.06Å; L467-F549 HydrophobicContact CD1-CZ 4.29Å; L467-F549 HydrophobicContact CD2-CZ 4.04Å
468	W	96	Very high	81.7	Confident	5 Å²	5	27.9 Å²	27.9	2%	0.019	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	166.4	172.3	71.1	99.3	0	0	0	110.1	I361 Y362 I364 A421 E470 P492 W504	I361-W468 WeakPolarHBondContact CA-O 3.48Å; Y362-W468 HydrophobicContact CD1-CH2 4.37Å; Y362-W468 AromaticContact CD1-CZ2 3.92Å; Y362-W468 HydrophobicContact CD1-CZ2 3.92Å; Y362-W468 HydrophobicContact CD2-CZ2 4.31Å; Y362-W468 AromaticContact CD2-NE1 3.89Å; Y362-W468 AromaticContact CG-CE2 3.79Å; Y362-W468 HydrophobicContact CG-CH2 4.22Å; Y362-W468 AromaticContact CG-CZ2 3.62Å; Y362-W468 HydrophobicContact CG-CZ2 3.62Å; Y362-W468 PolarHBondContact N-O 2.99Å; Y362-W468 PolarHBondContact O-N 3.36Å; I364-W468 HydrophobicContact CB-CH2 4.44Å; I364-W468 HydrophobicContact CB-CZ3 4.18Å; I364-W468 HydrophobicContact CG2-CH2 4.31Å; I364-W468 HydrophobicContact CG2-CZ3 3.7Å; A421-W468 HydrophobicContact CB-CH2 3.61Å; A421-W468 HydrophobicContact CB-CZ2 4.21Å; W468-E470 PolarHBondContact NE1-OE1 3.25Å; W468-P492 HydrophobicContact CZ2-CG 4.08Å; W468-W504 HydrophobicContact CD2-CZ3 4.25Å; W468-W504 AromaticContact CE3-CH2 3.77Å; W468-W504 HydrophobicContact CE3-CH2 3.77Å; W468-W504 AromaticContact CE3-CZ3 3.92Å; W468-W504 HydrophobicContact CE3-CZ3 3.92Å; W468-W504 HydrophobicContact CZ3-CH2 4.02Å
469	C	94.7	Very high	80.1	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	152.9	172.9	71.9	0	0	0	0	112.8	P328 L359 R360 I361 W471	P328-C469 HydrophobicContact CB-CB 4.2Å; P328-C469 WeakPolarHBondContact CB-SG 3.29Å; P328-C469 PolarHBondContact O-SG 2.9Å; P328-C469 VanDerWaalsContact O-SG 3.36Å; L359-C469 HydrophobicContact CD1-CB 3.63Å; R360-C469 CarbonylContact O-C 3.57Å; R360-C469 WeakPolarHBondContact O-CA 3.46Å; I361-C469 HydrophobicContact CG1-CB 4.26Å; C469-W471 PolarHBondContact SG-NE1 3.29Å
470	E	93.8	Very high	78.9	Confident	23 Å²	23	37.5 Å²	37.5	11%	0.107	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.2	168.4	-49.6	-167.5	149.5	0	0	109.4	R360 Y362 W468 W486 A488	R360-E470 PolarHBondContact N-O 2.92Å; R360-E470 PolarHBondContact O-N 3.5Å; Y362-E470 HydrophobicContact CD2-CG 3.95Å; Y362-E470 HydrophobicContact CE2-CB 4.43Å; Y362-E470 HydrophobicContact CE2-CG 3.81Å; Y362-E470 VanDerWaalsContact CE2-OE2 3.32Å; Y362-E470 WeakPolarHBondContact CE2-OE2 3.39Å; W468-E470 PolarHBondContact NE1-OE1 3.25Å; E470-W486 HydrophobicContact CB-CB 4.34Å; E470-W486 HydrophobicContact CB-CD2 4.4Å; E470-W486 HydrophobicContact CB-CE3 3.64Å; E470-W486 HydrophobicContact CB-CZ3 4.35Å; E470-A488 HydrophobicContact CB-CB 4.36Å; E470-A488 HydrophobicContact CG-CB 3.84Å
471	W	93.1	Very high	77.8	Confident	1 Å²	1	39 Å²	39	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.8	-177.8	-62.6	96.9	0	0	0	109.1	P320 L332 F334 P356 R358 L359 L429 C469 Y473 W486 Y487	P320-W471 HydrophobicContact CB-CD2 3.71Å; P320-W471 HydrophobicContact CB-CE3 4.24Å; P320-W471 HydrophobicContact CB-CG 4.17Å; P320-W471 HydrophobicContact CB-CH2 4.07Å; P320-W471 HydrophobicContact CB-CZ2 3.53Å; P320-W471 HydrophobicContact CB-CZ3 4.4Å; P320-W471 HydrophobicContact CG-CB 4.36Å; P320-W471 VanDerWaalsContact CG-CD1 3.43Å; P320-W471 HydrophobicContact CG-CD2 3.71Å; P320-W471 HydrophobicContact CG-CG 3.6Å; P320-W471 HydrophobicContact CG-CZ2 4.33Å; L332-W471 HydrophobicContact CD2-CH2 3.76Å; L332-W471 HydrophobicContact CD2-CZ3 3.96Å; L332-W471 HydrophobicContact CG-CH2 4.04Å; F334-W471 HydrophobicContact CE1-CE3 4.4Å; F334-W471 AromaticContact CE1-CH2 3.92Å; F334-W471 HydrophobicContact CE1-CH2 3.92Å; F334-W471 AromaticContact CE1-CZ3 3.67Å; F334-W471 HydrophobicContact CE1-CZ3 3.67Å; F334-W471 HydrophobicContact CZ-CE3 4.35Å; F334-W471 HydrophobicContact CZ-CH2 4.39Å; F334-W471 AromaticContact CZ-CZ3 3.72Å; F334-W471 HydrophobicContact CZ-CZ3 3.72Å; P356-W471 HydrophobicContact CB-CB 3.97Å; P356-W471 HydrophobicContact CB-CE3 3.97Å; P356-W471 HydrophobicContact CG-CD2 4.26Å; P356-W471 HydrophobicContact CG-CE3 3.59Å; P356-W471 HydrophobicContact CG-CZ3 4.16Å; R358-W471 CarbonylContact O-C 3.59Å; R358-W471 WeakPolarHBondContact O-CA 3.39Å; L359-W471 HydrophobicContact CB-CE3 3.91Å; L359-W471 HydrophobicContact CB-CH2 4.34Å; L359-W471 HydrophobicContact CB-CZ3 3.72Å; L359-W471 HydrophobicContact CD1-CD2 3.98Å; L359-W471 HydrophobicContact CD1-CE3 3.99Å; L359-W471 HydrophobicContact CD1-CH2 3.84Å; L359-W471 HydrophobicContact CD1-CZ2 3.79Å; L359-W471 HydrophobicContact CD1-CZ3 3.93Å; L359-W471 HydrophobicContact CD2-CH2 3.87Å; L359-W471 HydrophobicContact CD2-CZ2 4.48Å; L359-W471 HydrophobicContact CD2-CZ3 4.08Å; L359-W471 HydrophobicContact CG-CE3 4.45Å; L359-W471 HydrophobicContact CG-CH2 4.24Å; L359-W471 HydrophobicContact CG-CZ3 4.12Å; L429-W471 HydrophobicContact CD1-CZ3 4.29Å; C469-W471 PolarHBondContact SG-NE1 3.29Å; W471-Y473 HydrophobicContact CB-CD2 4.28Å; W471-Y473 HydrophobicContact CB-CE2 3.58Å; W471-Y473 VanDerWaalsContact O-CD2 3.25Å; W471-Y473 WeakPolarHBondContact O-CD2 3.33Å; W471-W486 CarbonylContact O-C 3.59Å; W471-W486 WeakPolarHBondContact O-CA 3.29Å; W471-Y487 PolarHBondContact N-O 2.84Å; W471-Y487 PolarHBondContact O-N 2.83Å
472	L	91	Very high	76.3	Confident	23 Å²	23	40.7 Å²	40.7	12%	0.12	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126.2	174.9	-178	61.5	0	0	0	109.1	P356 V357 R358 T484 W486	P356-L472 CarbonylContact C-O 3.57Å; P356-L472 WeakPolarHBondContact CA-O 3.36Å; P356-L472 WeakPolarHBondContact CB-O 3.49Å; V357-L472 HydrophobicContact CG2-CB 4.24Å; V357-L472 HydrophobicContact CG2-CD2 4Å; V357-L472 HydrophobicContact CG2-CG 3.92Å; V357-L472 PolarHBondContact N-O 3.48Å; R358-L472 HydrophobicContact CB-CB 3.49Å; R358-L472 VanDerWaalsContact CB-CB 3.49Å; R358-L472 HydrophobicContact CB-CD2 3.9Å; R358-L472 HydrophobicContact CB-CG 4.33Å; R358-L472 PolarHBondContact O-N 3.23Å; L472-T484 HydrophobicContact CD1-CG2 4.35Å; L472-W486 HydrophobicContact CB-CD2 4.15Å; L472-W486 HydrophobicContact CB-CE3 3.93Å; L472-W486 HydrophobicContact CB-CH2 3.72Å; L472-W486 HydrophobicContact CB-CZ2 3.92Å; L472-W486 HydrophobicContact CB-CZ3 3.72Å; L472-W486 HydrophobicContact CD1-CD2 4.23Å; L472-W486 HydrophobicContact CD1-CZ2 4.16Å; L472-W486 HydrophobicContact CD2-CH2 4.5Å; L472-W486 HydrophobicContact CD2-CZ2 4.18Å; L472-W486 HydrophobicContact CG-CZ2 4.32Å
473	Y	85.2	Confident	74.5	Confident	3 Å²	3	45 Å²	45	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	125.1	174.9	-75.9	-99.8	0	0	0	109.3	F211 I215 P320 S355 P356 W471 T475 W485 Y487	F211-Y473 HydrophobicContact CD2-CD1 4.18Å; F211-Y473 AromaticContact CD2-CE1 3.96Å; F211-Y473 HydrophobicContact CD2-CE1 3.96Å; F211-Y473 AromaticContact CE2-CD1 3.69Å; F211-Y473 HydrophobicContact CE2-CD1 3.69Å; F211-Y473 AromaticContact CE2-CE1 3.2Å; F211-Y473 HydrophobicContact CE2-CE1 3.2Å; F211-Y473 HydrophobicContact CE2-CE2 4.48Å; F211-Y473 AromaticContact CE2-CZ 3.58Å; F211-Y473 HydrophobicContact CZ-CE1 4.1Å; I215-Y473 HydrophobicContact CD1-CD1 3.56Å; I215-Y473 HydrophobicContact CD1-CE1 4.02Å; I215-Y473 HydrophobicContact CG1-CD1 4.38Å; P320-Y473 WeakPolarHBondContact CD-OH 3.45Å; S355-Y473 VanDerWaalsContact OG-CA 3.26Å; S355-Y473 WeakPolarHBondContact OG-CA 3.39Å; S355-Y473 WeakPolarHBondContact OG-CB 3.47Å; S355-Y473 WeakPolarHBondContact OG-CD1 3.39Å; S355-Y473 VanDerWaalsContact OG-CE1 3.28Å; S355-Y473 WeakPolarHBondContact OG-CE1 3.43Å; S355-Y473 VanDerWaalsContact OG-CG 3.27Å; P356-Y473 HydrophobicContact CB-CE1 4.29Å; P356-Y473 HydrophobicContact CB-CE2 4.15Å; W471-Y473 HydrophobicContact CB-CD2 4.28Å; W471-Y473 HydrophobicContact CB-CE2 3.58Å; W471-Y473 VanDerWaalsContact O-CD2 3.25Å; W471-Y473 WeakPolarHBondContact O-CD2 3.33Å; Y473-T475 PolarHBondContact O-N 3.22Å; Y473-W485 HydrophobicContact CD1-CZ3 4.2Å; Y473-W485 HydrophobicContact CD2-CE3 4.22Å; Y473-W485 AromaticContact CD2-CZ3 3.8Å; Y473-W485 HydrophobicContact CD2-CZ3 3.8Å; Y473-W485 AromaticContact CG-CE3 3.96Å; Y473-W485 HydrophobicContact CG-CE3 3.96Å; Y473-W485 AromaticContact CG-CZ3 3.6Å; Y473-W485 HydrophobicContact CG-CZ3 3.6Å; Y473-W485 PolarHBondContact N-O 3.32Å; Y473-W485 VanDerWaalsContact N-O 3.08Å; Y473-Y487 AromaticContact CE2-CD1 3.95Å; Y473-Y487 HydrophobicContact CE2-CD1 3.95Å; Y473-Y487 HydrophobicContact CE2-CG 4.06Å
474	N	70.3	Confident	73.5	Confident	74 Å²	74	48.4 Å²	48.4	40%	0.396	27%	0.271	S	S	.	.			trans	-76.2	110.2	174.1	-169.5	5	0	0	0	108.1	V357 P476	V357-N474 HydrophobicContact CG1-CB 3.84Å; V357-N474 HydrophobicContact CG2-CB 4.02Å; N474-P476 VanDerWaalsContact C-CD 3.5Å; N474-P476 VanDerWaalsContact O-CD 3.24Å; N474-P476 WeakPolarHBondContact O-CD 3.29Å
475	T	63.3	Low	73	Confident	12 Å²	12	50.4 Å²	50.4	7%	0.074	28%	0.279	C	S	.	.			trans	-113.7	89	176.9	59.2	0	0	0	0	110.2	K214 S218 Y473 A477 T478	K214-T475 HydrophobicContact CB-CG2 4.19Å; S218-T475 VanDerWaalsContact OG-CA 3.28Å; S218-T475 WeakPolarHBondContact OG-CA 3.25Å; S218-T475 WeakPolarHBondContact OG-CB 3.35Å; S218-T475 WeakPolarHBondContact OG-CG2 3.5Å; Y473-T475 PolarHBondContact O-N 3.22Å; T475-A477 PolarHBondContact O-N 2.63Å; T475-T478 PolarHBondContact O-N 2.95Å; T475-T478 PolarHBondContact O-OG1 3.44Å
476	P	59.5	Low	72.6	Confident	49 Å²	49	52.9 Å²	52.9	32%	0.318	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-15.2	171.4	-26.9	32.1	0	0	0	114.8	T221 V222 N474	T221-P476 HydrophobicContact CG2-CB 4.3Å; V222-P476 HydrophobicContact CG2-CG 4.23Å; N474-P476 VanDerWaalsContact C-CD 3.5Å; N474-P476 VanDerWaalsContact O-CD 3.24Å; N474-P476 WeakPolarHBondContact O-CD 3.29Å
477	A	50.4	Low	72.4	Confident	33 Å²	33	53.2 Å²	53.2	27%	0.273	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-7.4	-175.9	0	0	0	0	0	115	N217 T475	N217-A477 HydrophobicContact CB-CB 4.18Å; T475-A477 PolarHBondContact O-N 2.63Å
478	T	42.1	Very low	72.2	Confident	41 Å²	41	53.7 Å²	53.7	25%	0.252	29%	0.293	S	S	.	.			trans	-88.8	113.4	174.2	49.9	0	0	0	0	109.5	T475 Q480 E483	T475-T478 PolarHBondContact O-N 2.95Å; T475-T478 PolarHBondContact O-OG1 3.44Å; T478-Q480 PolarHBondContact O-N 2.85Å; T478-E483 WeakPolarHBondContact CG2-OE2 3.45Å
479	H	43.9	Very low	71.8	Confident	196 Å²	196	53.8 Å²	53.8	91%	0.907	30%	0.295	S	S	*	.	S	Bend	trans	-62.4	9.2	177.3	-82.3	-81.7	0	0	0	114.6
480	Q	46	Very low	71.5	Confident	122 Å²	122	53.7 Å²	53.7	57%	0.57	29%	0.294	S	S	*	.	S	Bend	trans	-117.7	114	170.8	-67.2	-160.1	-3	0	0	110.2	T478 S482 E483	T478-Q480 PolarHBondContact O-N 2.85Å; Q480-S482 PolarHBondContact O-N 2.95Å; Q480-E483 PolarHBondContact O-N 2.83Å; Q480-E483 VanDerWaalsContact O-N 3.12Å
481	P	47.6	Very low	71.4	Confident	148 Å²	148	52.6 Å²	52.6	96%	0.961	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-8.2	176.3	-25.1	32.9	0	0	0	115.5
482	S	50.5	Low	71.4	Confident	87 Å²	87	53.3 Å²	53.3	61%	0.608	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-11.2	-178	53.9	0	0	0	0	114.8	Q480 T484	Q480-S482 PolarHBondContact O-N 2.95Å; S482-T484 PolarHBondContact O-N 2.79Å; S482-T484 VanDerWaalsContact O-N 3.07Å
483	E	55.2	Low	71.2	Confident	102 Å²	102	55.3 Å²	55.3	48%	0.477	30%	0.304	S	S	.	.			trans	-83.2	92.3	-175.2	-161.7	-179	176.5	0	0	110.7	T478 Q480	T478-E483 WeakPolarHBondContact CG2-OE2 3.45Å; Q480-E483 PolarHBondContact O-N 2.83Å; Q480-E483 VanDerWaalsContact O-N 3.12Å
484	T	73.1	Confident	71.1	Confident	96 Å²	96	61.1 Å²	61.1	59%	0.589	33%	0.33	S	S	*	.			trans	-84.8	125.1	171.4	53.5	0	0	0	0	109.8	L472 S482	L472-T484 HydrophobicContact CD1-CG2 4.35Å; S482-T484 PolarHBondContact O-N 2.79Å; S482-T484 VanDerWaalsContact O-N 3.07Å
485	W	85	Confident	71.3	Confident	43 Å²	43	63.1 Å²	63.1	16%	0.163	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	116.2	179.3	-176.5	60	0	0	0	111.5	F211 K214 Y473 Y487	F211-W485 HydrophobicContact CB-CH2 3.66Å; F211-W485 HydrophobicContact CB-CZ2 4.41Å; F211-W485 AromaticContact CD2-CH2 3.72Å; F211-W485 HydrophobicContact CD2-CH2 3.72Å; F211-W485 AromaticContact CD2-CZ3 3.9Å; F211-W485 HydrophobicContact CD2-CZ3 3.9Å; F211-W485 HydrophobicContact CG-CH2 4.19Å; K214-W485 HydrophobicContact CB-CE3 4.47Å; K214-W485 HydrophobicContact CB-CZ3 4.46Å; K214-W485 HydrophobicContact CD-CD2 3.48Å; K214-W485 VanDerWaalsContact CD-CD2 3.48Å; K214-W485 HydrophobicContact CD-CE3 3.59Å; K214-W485 HydrophobicContact CD-CG 3.93Å; K214-W485 HydrophobicContact CD-CH2 4.46Å; K214-W485 HydrophobicContact CD-CZ2 4.3Å; K214-W485 HydrophobicContact CD-CZ3 4.12Å; Y473-W485 HydrophobicContact CD1-CZ3 4.2Å; Y473-W485 HydrophobicContact CD2-CE3 4.22Å; Y473-W485 AromaticContact CD2-CZ3 3.8Å; Y473-W485 HydrophobicContact CD2-CZ3 3.8Å; Y473-W485 AromaticContact CG-CE3 3.96Å; Y473-W485 HydrophobicContact CG-CE3 3.96Å; Y473-W485 AromaticContact CG-CZ3 3.6Å; Y473-W485 HydrophobicContact CG-CZ3 3.6Å; Y473-W485 PolarHBondContact N-O 3.32Å; Y473-W485 VanDerWaalsContact N-O 3.08Å; W485-Y487 AromaticContact CH2-CD2 3.68Å; W485-Y487 HydrophobicContact CH2-CD2 3.68Å; W485-Y487 AromaticContact CH2-CG 3.88Å; W485-Y487 HydrophobicContact CH2-CG 3.88Å; W485-Y487 AromaticContact CZ2-CD2 3.79Å; W485-Y487 HydrophobicContact CZ2-CD2 3.79Å; W485-Y487 HydrophobicContact CZ2-CG 4.29Å
486	W	90.6	Very high	71.9	Confident	51 Å²	51	63.1 Å²	63.1	19%	0.193	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.5	176.5	-67.2	88.4	0	0	0	110	R358 R360 E470 W471 L472	R358-W486 HydrophobicContact CB-CH2 3.94Å; R358-W486 HydrophobicContact CB-CZ3 4.35Å; R358-W486 HydrophobicContact CG-CH2 4.02Å; R360-W486 HydrophobicContact CB-CH2 4.42Å; R360-W486 HydrophobicContact CB-CZ3 4.07Å; R360-W486 HydrophobicContact CG-CH2 3.59Å; R360-W486 HydrophobicContact CG-CZ3 3.74Å; R360-W486 VanDerWaalsContact NE-CH2 3.29Å; R360-W486 VanDerWaalsContact NH1-CZ2 3.3Å; E470-W486 HydrophobicContact CB-CB 4.34Å; E470-W486 HydrophobicContact CB-CD2 4.4Å; E470-W486 HydrophobicContact CB-CE3 3.64Å; E470-W486 HydrophobicContact CB-CZ3 4.35Å; W471-W486 CarbonylContact O-C 3.59Å; W471-W486 WeakPolarHBondContact O-CA 3.29Å; L472-W486 HydrophobicContact CB-CD2 4.15Å; L472-W486 HydrophobicContact CB-CE3 3.93Å; L472-W486 HydrophobicContact CB-CH2 3.72Å; L472-W486 HydrophobicContact CB-CZ2 3.92Å; L472-W486 HydrophobicContact CB-CZ3 3.72Å; L472-W486 HydrophobicContact CD1-CD2 4.23Å; L472-W486 HydrophobicContact CD1-CZ2 4.16Å; L472-W486 HydrophobicContact CD2-CH2 4.5Å; L472-W486 HydrophobicContact CD2-CZ2 4.18Å; L472-W486 HydrophobicContact CG-CZ2 4.32Å
487	Y	91.6	Very high	72.9	Confident	7 Å²	7	64.4 Å²	64.4	3%	0.027	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.4	173.3	-176.7	-120	0	0	0	109.4	E202 D207 F211 W471 Y473 W485 P489	E202-Y487 PolarHBondContact OE1-OH 3.46Å; D207-Y487 HydrophobicContact CB-CE2 4.36Å; F211-Y487 HydrophobicContact CB-CD2 4.15Å; F211-Y487 HydrophobicContact CB-CE2 3.88Å; F211-Y487 HydrophobicContact CD2-CD1 4.42Å; F211-Y487 HydrophobicContact CD2-CG 4.47Å; F211-Y487 HydrophobicContact CG-CE1 4.44Å; F211-Y487 HydrophobicContact CG-CE2 4.36Å; W471-Y487 PolarHBondContact N-O 2.84Å; W471-Y487 PolarHBondContact O-N 2.83Å; Y473-Y487 AromaticContact CE2-CD1 3.95Å; Y473-Y487 HydrophobicContact CE2-CD1 3.95Å; Y473-Y487 HydrophobicContact CE2-CG 4.06Å; W485-Y487 AromaticContact CH2-CD2 3.68Å; W485-Y487 HydrophobicContact CH2-CD2 3.68Å; W485-Y487 AromaticContact CH2-CG 3.88Å; W485-Y487 HydrophobicContact CH2-CG 3.88Å; W485-Y487 AromaticContact CZ2-CD2 3.79Å; W485-Y487 HydrophobicContact CZ2-CD2 3.79Å; W485-Y487 HydrophobicContact CZ2-CG 4.29Å; Y487-P489 HydrophobicContact CD1-CG 4.31Å; Y487-P489 HydrophobicContact CE1-CB 3.94Å; Y487-P489 HydrophobicContact CE1-CG 3.88Å
488	A	92.6	Very high	74.7	Confident	10 Å²	10	66.2 Å²	66.2	8%	0.083	35%	0.351	C	S	.	.			trans	-130.1	85.1	-179	0	0	0	0	0	108.3	E470 A490 G491 K505	E470-A488 HydrophobicContact CB-CB 4.36Å; E470-A488 HydrophobicContact CG-CB 3.84Å; A488-A490 VanDerWaalsContact C-N 3.28Å; A488-A490 PolarHBondContact O-N 3.39Å; A488-G491 PolarHBondContact O-N 3.4Å; A488-K505 WeakPolarHBondContact O-CD 3.4Å; A488-K505 WeakPolarHBondContact O-CE 3.16Å; A488-K505 PolarHBondContact O-NZ 3Å
489	P	88.2	Confident	77	Confident	7 Å²	7	68.2 Å²	68.2	5%	0.045	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-38.2	-177.5	23.4	-31.1	0	0	0	111.4	E202 Y487 K505	E202-P489 WeakPolarHBondContact OE1-CB 3.45Å; Y487-P489 HydrophobicContact CD1-CG 4.31Å; Y487-P489 HydrophobicContact CE1-CB 3.94Å; Y487-P489 HydrophobicContact CE1-CG 3.88Å; P489-K505 WeakPolarHBondContact O-CD 3.42Å
490	A	89	Confident	79.3	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	15	175.6	0	0	0	0	0	113.5	P328 A488 T509 Q511	P328-A490 HydrophobicContact CB-CB 4.28Å; P328-A490 HydrophobicContact CG-CB 3.98Å; A488-A490 VanDerWaalsContact C-N 3.28Å; A488-A490 PolarHBondContact O-N 3.39Å; A490-T509 WeakPolarHBondContact CB-O 3.49Å; A490-Q511 WeakPolarHBondContact O-CG 3.34Å; A490-Q511 PolarHBondContact O-NE2 3.47Å
491	G	91.7	Very high	81.5	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.338	C	S	.	.	S	Bend	trans	-82.2	176.6	-178.8	0	0	0	0	0	113.8	A488 K505	A488-G491 PolarHBondContact O-N 3.4Å; G491-K505 WeakPolarHBondContact O-CB 3.02Å; G491-K505 VanDerWaalsContact O-CG 3.3Å; G491-K505 WeakPolarHBondContact O-CG 3.25Å; G491-K505 PolarHBondContact O-N 2.88Å
492	P	92.7	Very high	83.7	Confident	15 Å²	15	55.2 Å²	55.2	10%	0.097	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-67.4	150.7	163.5	31.6	-34.6	0	0	0	111	W468 K494 I502 S503 W504	W468-P492 HydrophobicContact CZ2-CG 4.08Å; P492-K494 WeakPolarHBondContact CB-O 3.37Å; P492-K494 PolarHBondContact O-N 2.76Å; P492-I502 HydrophobicContact CB-CG2 3.84Å; P492-S503 CarbonylContact C-O 3.58Å; P492-S503 WeakPolarHBondContact CA-O 3.45Å; P492-W504 HydrophobicContact CB-CE3 4.28Å; P492-W504 HydrophobicContact CB-CZ3 4.37Å
493	N	87.4	Confident	85.7	Confident	65 Å²	65	52.7 Å²	52.7	35%	0.348	28%	0.278	S	S	.	.	S	Bend	trans	-63.6	-32	173.5	-78.4	-44.5	0	0	0	112.1	S503 W504 K505	N493-S503 WeakPolarHBondContact CB-O 3.15Å; N493-S503 PolarHBondContact N-O 2.65Å; N493-S503 PolarHBondContact ND2-OG 3.01Å; N493-S503 VanDerWaalsContact ND2-OG 3.1Å; N493-W504 PolarHBondContact ND2-O 3.28Å; N493-K505 WeakPolarHBondContact OD1-CG 3.24Å
494	K	82.8	Confident	87.5	Confident	126 Å²	126	48 Å²	48	55%	0.548	26%	0.256	S	S	.	.	S	Bend	trans	-148.5	145.4	172.9	60.1	174.9	-175.4	164.9	0	108.7	P492 T496	P492-K494 WeakPolarHBondContact CB-O 3.37Å; P492-K494 PolarHBondContact O-N 2.76Å; K494-T496 PolarHBondContact O-N 3.02Å; K494-T496 VanDerWaalsContact O-N 3.1Å
495	I	74.8	Confident	88.3	Confident	115 Å²	115	44.5 Å²	44.5	59%	0.59	23%	0.232	S	C	*	.			trans	-66.4	114.2	169.7	-61.9	174.8	0	0	0	106.9
496	T	74.7	Confident	88.5	Confident	12 Å²	12	42.9 Å²	42.9	7%	0.074	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-80.3	148.1	-177.6	-65.7	0	0	0	0	110.4	A417 K494 E500 P501	A417-T496 HydrophobicContact CB-CG2 4.43Å; K494-T496 PolarHBondContact O-N 3.02Å; K494-T496 VanDerWaalsContact O-N 3.1Å; T496-E500 HydrophobicContact CG2-CB 3.18Å; T496-E500 HydrophobicContact CG2-CG 4.46Å; T496-E500 WeakPolarHBondContact CG2-O 3.36Å; T496-P501 WeakPolarHBondContact CG2-O 3.42Å; T496-P501 PolarHBondContact OG1-O 3.39Å
497	T	80.3	Confident	88.3	Confident	76 Å²	76	42 Å²	42	47%	0.466	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-75.4	160.9	174.1	58.8	0	0	0	0	110.7	N499 E500	T497-N499 PolarHBondContact O-N 3.17Å; T497-E500 PolarHBondContact O-N 3.22Å; T497-E500 VanDerWaalsContact OG1-CG 3.32Å; T497-E500 WeakPolarHBondContact OG1-CG 3.41Å; T497-E500 PolarHBondContact OG1-OE1 2.81Å; T497-E500 PolarHBondContact OG1-OE2 2.81Å
498	L	89.6	Confident	87.9	Confident	72 Å²	72	41.9 Å²	41.9	38%	0.377	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	134.3	173.6	-178.4	64	0	0	0	111.6	R418 E500	R418-L498 WeakPolarHBondContact O-CD1 3.28Å; L498-E500 VanDerWaalsContact C-N 3.31Å; L498-E500 PolarHBondContact O-N 3.22Å
499	N	90.3	Very high	87.6	Confident	83 Å²	83	42.2 Å²	42.2	44%	0.444	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	7.8	-179.1	-59.3	-49	0	0	0	117.2	T416 A417 R418 T497	T416-N499 VanDerWaalsContact CG2-C 3.42Å; T416-N499 VanDerWaalsContact CG2-O 3.27Å; T416-N499 WeakPolarHBondContact CG2-O 3.37Å; A417-N499 VanDerWaalsContact O-CA 3.23Å; A417-N499 WeakPolarHBondContact O-CA 3.05Å; A417-N499 PolarHBondContact O-N 3.38Å; R418-N499 PolarHBondContact NH1-OD1 3.33Å; T497-N499 PolarHBondContact O-N 3.17Å
500	E	91.2	Very high	87.9	Confident	83 Å²	83	45.4 Å²	45.4	39%	0.388	24%	0.241	S	C	.	.	S	Bend	trans	-96.8	154.6	171.6	-80.9	179.8	-155.2	0	0	112.4	A417 T496 T497 L498	A417-E500 PolarHBondContact N-O 2.95Å; T496-E500 HydrophobicContact CG2-CB 3.18Å; T496-E500 HydrophobicContact CG2-CG 4.46Å; T496-E500 WeakPolarHBondContact CG2-O 3.36Å; T497-E500 PolarHBondContact O-N 3.22Å; T497-E500 VanDerWaalsContact OG1-CG 3.32Å; T497-E500 WeakPolarHBondContact OG1-CG 3.41Å; T497-E500 PolarHBondContact OG1-OE1 2.81Å; T497-E500 PolarHBondContact OG1-OE2 2.81Å; L498-E500 VanDerWaalsContact C-N 3.31Å; L498-E500 PolarHBondContact O-N 3.22Å
501	P	92.7	Very high	88.3	Confident	95 Å²	95	45.6 Å²	45.6	62%	0.617	24%	0.241	S	C	*	.	B	Isolated β-bridge	trans	-63.7	135.4	171.9	-21.8	33.4	0	0	0	112.5	N415 T496	N415-P501 WeakPolarHBondContact O-CA 3.26Å; T496-P501 WeakPolarHBondContact CG2-O 3.42Å; T496-P501 PolarHBondContact OG1-O 3.39Å
502	I	93.4	Very high	88.6	Confident	15 Å²	15	45.6 Å²	45.6	8%	0.077	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-83.9	124.1	177.3	-49.2	176.3	0	0	0	109.4	I364 V366 N415 A417 P492 W504	I364-I502 HydrophobicContact CD1-CD1 3.95Å; I364-I502 HydrophobicContact CG2-CD1 4.04Å; V366-I502 HydrophobicContact CG1-CD1 3.74Å; N415-I502 PolarHBondContact O-N 2.97Å; N415-I502 WeakPolarHBondContact OD1-CB 3.37Å; N415-I502 WeakPolarHBondContact OD1-CD1 3.16Å; A417-I502 HydrophobicContact CB-CD1 4.02Å; A417-I502 HydrophobicContact CB-CG1 3.92Å; P492-I502 HydrophobicContact CB-CG2 3.84Å; I502-W504 HydrophobicContact CB-CZ2 4.18Å; I502-W504 HydrophobicContact CD1-CZ2 3.82Å; I502-W504 HydrophobicContact CG2-CD2 3.93Å; I502-W504 VanDerWaalsContact CG2-CE2 3.44Å; I502-W504 HydrophobicContact CG2-CG 4.35Å; I502-W504 HydrophobicContact CG2-CH2 4.29Å; I502-W504 HydrophobicContact CG2-CZ2 3.66Å; I502-W504 PolarHBondContact O-N 2.98Å
503	S	91.9	Very high	88.8	Confident	34 Å²	34	44.9 Å²	44.9	24%	0.238	24%	0.237	C	C	.	.			trans	-90	96.1	174.6	-178	0	0	0	0	109.5	P492 N493	P492-S503 CarbonylContact C-O 3.58Å; P492-S503 WeakPolarHBondContact CA-O 3.45Å; N493-S503 WeakPolarHBondContact CB-O 3.15Å; N493-S503 PolarHBondContact N-O 2.65Å; N493-S503 PolarHBondContact ND2-OG 3.01Å; N493-S503 VanDerWaalsContact ND2-OG 3.1Å
504	W	93.3	Very high	89.3	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.008	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-77.7	146.7	176.2	-59.8	97.7	0	0	0	111.7	R47 L410 W411 N415 A466 W468 P492 N493 I502 Q511	R47-W504 PolarHBondContact NH1-O 3.18Å; L410-W504 HydrophobicContact CB-CB 4.18Å; L410-W504 HydrophobicContact CB-CD2 3.73Å; L410-W504 HydrophobicContact CB-CE3 4.49Å; L410-W504 HydrophobicContact CB-CG 3.53Å; L410-W504 HydrophobicContact CD1-CD2 4.05Å; L410-W504 HydrophobicContact CD1-CE3 4.4Å; L410-W504 HydrophobicContact CD1-CH2 4Å; L410-W504 HydrophobicContact CD1-CZ2 3.6Å; L410-W504 HydrophobicContact CD1-CZ3 4.38Å; L410-W504 VanDerWaalsContact O-CD1 3.3Å; W411-W504 HydrophobicContact CB-CB 4.06Å; N415-W504 PolarHBondContact ND2-NE1 2.95Å; N415-W504 PolarHBondContact OD1-NE1 3.3Å; A466-W504 HydrophobicContact CB-CH2 3.77Å; A466-W504 HydrophobicContact CB-CZ2 3.65Å; W468-W504 HydrophobicContact CD2-CZ3 4.25Å; W468-W504 AromaticContact CE3-CH2 3.77Å; W468-W504 HydrophobicContact CE3-CH2 3.77Å; W468-W504 AromaticContact CE3-CZ3 3.92Å; W468-W504 HydrophobicContact CE3-CZ3 3.92Å; W468-W504 HydrophobicContact CZ3-CH2 4.02Å; P492-W504 HydrophobicContact CB-CE3 4.28Å; P492-W504 HydrophobicContact CB-CZ3 4.37Å; N493-W504 PolarHBondContact ND2-O 3.28Å; I502-W504 HydrophobicContact CB-CZ2 4.18Å; I502-W504 HydrophobicContact CD1-CZ2 3.82Å; I502-W504 HydrophobicContact CG2-CD2 3.93Å; I502-W504 VanDerWaalsContact CG2-CE2 3.44Å; I502-W504 HydrophobicContact CG2-CG 4.35Å; I502-W504 HydrophobicContact CG2-CH2 4.29Å; I502-W504 HydrophobicContact CG2-CZ2 3.66Å; I502-W504 PolarHBondContact O-N 2.98Å; W504-Q511 HydrophobicContact CE3-CG 3.76Å; W504-Q511 HydrophobicContact CZ3-CG 3.85Å
505	K	91	Very high	89.9	Confident	23 Å²	23	37 Å²	37	10%	0.1	20%	0.2	C	C	.	.			trans	-64.7	141	171.3	-74.2	175.6	-176.2	-162.5	0	110.5	D207 A488 P489 G491 N493 R507	D207-K505 VanDerWaalsContact OD2-CE 3.27Å; D207-K505 WeakPolarHBondContact OD2-CE 3.31Å; D207-K505 IonicContact OD2-NZ 2.83Å; D207-K505 PolarHBondContact OD2-NZ 2.58Å; A488-K505 WeakPolarHBondContact O-CD 3.4Å; A488-K505 WeakPolarHBondContact O-CE 3.16Å; A488-K505 PolarHBondContact O-NZ 3Å; P489-K505 WeakPolarHBondContact O-CD 3.42Å; G491-K505 WeakPolarHBondContact O-CB 3.02Å; G491-K505 VanDerWaalsContact O-CG 3.3Å; G491-K505 WeakPolarHBondContact O-CG 3.25Å; G491-K505 PolarHBondContact O-N 2.88Å; N493-K505 WeakPolarHBondContact OD1-CG 3.24Å; K505-R507 VanDerWaalsContact C-N 3.27Å; K505-R507 HydrophobicContact CB-CG 4.23Å; K505-R507 PolarHBondContact O-N 3.12Å
506	S	88.8	Confident	90.8	Very high	10 Å²	10	32.3 Å²	32.3	7%	0.07	18%	0.176	C	C	.	.	S	Bend	trans	-89.2	19	-179.3	62.8	0	0	0	0	114.8	D46	D46-S506 PolarHBondContact OD2-N 3.07Å; D46-S506 PolarHBondContact OD2-OG 2.72Å
507	R	85.8	Confident	91.5	Very high	33 Å²	33	33.6 Å²	33.6	13%	0.125	18%	0.184	C	C	.	.	S	Bend	trans	-145.1	161.7	-166.5	53.5	179.9	165.2	-124.8	1.8	111	E202 D207 K505	E202-R507 HydrophobicContact CB-CB 4.42Å; D207-R507 IonicContact OD1-CZ 3.04Å; D207-R507 IonicContact OD1-NH2 3.61Å; D207-R507 PolarHBondContact OD1-NH2 3.04Å; D207-R507 IonicContact OD2-CZ 3.84Å; D207-R507 IonicContact OD2-NE 3.62Å; D207-R507 PolarHBondContact OD2-NE 2.6Å; D207-R507 IonicContact OD2-NH2 2.74Å; D207-R507 PolarHBondContact OD2-NH2 3.12Å; K505-R507 VanDerWaalsContact C-N 3.27Å; K505-R507 HydrophobicContact CB-CG 4.23Å; K505-R507 PolarHBondContact O-N 3.12Å
508	G	82.9	Confident	91.6	Very high	3 Å²	3	32 Å²	32	3%	0.031	18%	0.176	C	C	.	.	S	Bend	trans	80.7	-161.8	178.3	0	0	0	0	0	113.5	T198	T198-G508 WeakPolarHBondContact CB-O 3.37Å; T198-G508 PolarHBondContact O-N 3.39Å
509	T	87.5	Confident	91.3	Very high	18 Å²	18	33.8 Å²	33.8	11%	0.11	18%	0.182	C	C	.	.	S	Bend	trans	-65.3	154.5	177.2	47.7	0	0	0	0	111.8	Y321 A490	Y321-T509 HydrophobicContact CD2-CG2 4.27Å; Y321-T509 HydrophobicContact CE2-CG2 4.31Å; A490-T509 WeakPolarHBondContact CB-O 3.49Å
510	Q	94.7	Very high	91.2	Very high	74 Å²	74	31.2 Å²	31.2	35%	0.346	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-72.6	149.7	177.2	-69.7	178.7	-10.9	0	0	110.6	P328 P407 P409	P328-Q510 WeakPolarHBondContact CD-O 3.36Å; P328-Q510 WeakPolarHBondContact CG-O 3.47Å; P407-Q510 HydrophobicContact CB-CB 3.94Å; P407-Q510 PolarHBondContact O-OE1 3.42Å; P409-Q510 HydrophobicContact CB-CG 4.32Å
511	Q	96.7	Very high	90.7	Very high	3 Å²	3	31.5 Å²	31.5	1%	0.014	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	153	177.5	-67.1	74.7	42.5	0	0	110.6	P407 H408 L410 L467 A490 W504	P407-Q511 CarbonylContact C-O 3.56Å; P407-Q511 WeakPolarHBondContact CA-O 3.23Å; H408-Q511 PolarHBondContact N-O 2.88Å; H408-Q511 PolarHBondContact O-N 3.15Å; H408-Q511 PolarHBondContact O-OE1 3.22Å; H408-Q511 VanDerWaalsContact O-OE1 3.13Å; L410-Q511 HydrophobicContact CB-CG 4.48Å; L410-Q511 HydrophobicContact CD1-CB 3.62Å; L410-Q511 HydrophobicContact CD1-CG 4.06Å; L410-Q511 HydrophobicContact CG-CB 3.85Å; L410-Q511 HydrophobicContact CG-CG 4.31Å; L467-Q511 WeakPolarHBondContact O-CB 3.44Å; A490-Q511 WeakPolarHBondContact O-CG 3.34Å; A490-Q511 PolarHBondContact O-NE2 3.47Å; W504-Q511 HydrophobicContact CE3-CG 3.76Å; W504-Q511 HydrophobicContact CZ3-CG 3.85Å
512	G	97.3	Very high	89.9	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	138.2	171.4	0	0	0	0	0	111.1	E406 A466 L467	E406-G512 CarbonylContact O-C 3.57Å; A466-G512 CarbonylContact C-O 3.58Å; L467-G512 PolarHBondContact N-O 2.87Å; L467-G512 PolarHBondContact O-N 3.11Å
513	V	97.8	Very high	89.2	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.9	176.9	-177.7	0	0	0	0	110	F368 L371 I405 E406 H408 L410 I465 L515	F368-V513 HydrophobicContact CE2-CG1 3.62Å; F368-V513 HydrophobicContact CZ-CG1 3.71Å; F368-V513 HydrophobicContact CZ-CG2 4.2Å; L371-V513 HydrophobicContact CD2-CG1 4.29Å; L371-V513 HydrophobicContact CD2-CG2 4.43Å; I405-V513 WeakPolarHBondContact CA-O 3.47Å; E406-V513 PolarHBondContact N-O 3.28Å; E406-V513 PolarHBondContact O-N 2.76Å; H408-V513 HydrophobicContact CB-CG2 3.83Å; L410-V513 HydrophobicContact CD1-CG2 4.1Å; L410-V513 HydrophobicContact CD2-CG2 3.56Å; L410-V513 HydrophobicContact CG-CG2 4.07Å; I465-V513 WeakPolarHBondContact O-CA 3.26Å; V513-L515 HydrophobicContact CG1-CD2 3.8Å; V513-L515 HydrophobicContact CG1-CG 3.93Å
514	F	96.9	Very high	88.7	Confident	9 Å²	9	35.7 Å²	35.7	4%	0.039	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	108.6	164.4	174.5	-111.9	0	0	0	108.7	L404 I405 G464 I465 F516 P517 W520 F549	L404-F514 HydrophobicContact CD1-CD2 3.83Å; L404-F514 HydrophobicContact CD1-CE2 3.43Å; L404-F514 VanDerWaalsContact CD1-CE2 3.43Å; L404-F514 HydrophobicContact CD2-CE2 4.45Å; L404-F514 HydrophobicContact CG-CD2 3.79Å; L404-F514 HydrophobicContact CG-CE2 3.87Å; L404-F514 WeakPolarHBondContact O-CD2 3.31Å; I405-F514 HydrophobicContact CD1-CB 3.67Å; G464-F514 CarbonylContact C-O 3.48Å; G464-F514 WeakPolarHBondContact CA-O 3.26Å; I465-F514 HydrophobicContact CB-CB 4.24Å; I465-F514 HydrophobicContact CB-CD1 4.49Å; I465-F514 HydrophobicContact CD1-CD1 3.9Å; I465-F514 HydrophobicContact CG1-CD1 4.32Å; I465-F514 PolarHBondContact N-O 2.82Å; I465-F514 PolarHBondContact O-N 2.87Å; F514-F516 AromaticContact CD1-CD1 3.88Å; F514-F516 HydrophobicContact CD1-CD1 3.88Å; F514-F516 HydrophobicContact CD1-CE1 4.02Å; F514-F516 AromaticContact CE1-CD1 3.66Å; F514-F516 HydrophobicContact CE1-CD1 3.66Å; F514-F516 AromaticContact CE1-CE1 4Å; F514-F516 HydrophobicContact CE1-CE1 4Å; F514-P517 HydrophobicContact CZ-CG 4.2Å; F514-W520 HydrophobicContact CE1-CE3 4.31Å; F514-W520 AromaticContact CE1-CH2 3.68Å; F514-W520 HydrophobicContact CE1-CH2 3.68Å; F514-W520 HydrophobicContact CE1-CZ2 4.38Å; F514-W520 AromaticContact CE1-CZ3 3.63Å; F514-W520 HydrophobicContact CE1-CZ3 3.63Å; F514-W520 HydrophobicContact CZ-CH2 4.02Å; F514-W520 HydrophobicContact CZ-CZ2 4.27Å; F514-W520 HydrophobicContact CZ-CZ3 4.27Å; F514-F549 HydrophobicContact CB-CD2 4.24Å; F514-F549 HydrophobicContact CB-CE2 3.82Å; F514-F549 HydrophobicContact CB-CZ 4.49Å; F514-F549 AromaticContact CD1-CD2 3.7Å; F514-F549 HydrophobicContact CD1-CD2 3.7Å; F514-F549 HydrophobicContact CD1-CE2 4.14Å; F514-F549 HydrophobicContact CD1-CG 4.23Å; F514-F549 HydrophobicContact CD2-CD2 4.09Å; F514-F549 HydrophobicContact CD2-CE2 4.29Å; F514-F549 HydrophobicContact CE1-CB 4.21Å; F514-F549 HydrophobicContact CE1-CD2 4Å; F514-F549 HydrophobicContact CE1-CG 4.36Å; F514-F549 HydrophobicContact CE2-CD2 4.4Å; F514-F549 AromaticContact CG-CD2 3.73Å; F514-F549 HydrophobicContact CG-CD2 3.73Å; F514-F549 AromaticContact CG-CE2 3.81Å; F514-F549 HydrophobicContact CG-CE2 3.81Å; F514-F549 HydrophobicContact CZ-CD2 4.34Å
515	L	95.8	Very high	87.7	Confident	16 Å²	16	40.4 Å²	40.4	8%	0.084	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	136	173.1	-67.1	177.9	0	0	0	109.7	F368 L371 W372 I374 R375 V513 P517	F368-L515 HydrophobicContact CD2-CD2 3.71Å; F368-L515 HydrophobicContact CE2-CD2 3.84Å; L371-L515 HydrophobicContact CG-CD2 4.47Å; W372-L515 HydrophobicContact CB-CD2 4.45Å; I374-L515 HydrophobicContact CD1-CD1 4.35Å; I374-L515 HydrophobicContact CG1-CD1 3.86Å; R375-L515 HydrophobicContact CB-CD1 4.03Å; R375-L515 HydrophobicContact CG-CD1 3.72Å; V513-L515 HydrophobicContact CG1-CD2 3.8Å; V513-L515 HydrophobicContact CG1-CG 3.93Å; L515-P517 WeakPolarHBondContact O-CD 3.49Å
516	F	93.4	Very high	86.5	Confident	17 Å²	17	43.5 Å²	43.5	8%	0.075	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-66.4	126.8	-176.3	-70.5	-9.8	0	0	0	111.8	L365 V462 N463 I465 F514 W520 I524 L530 I532	L365-F516 HydrophobicContact CD2-CZ 3.84Å; V462-F516 HydrophobicContact CB-CE2 4.06Å; V462-F516 HydrophobicContact CG1-CE2 3.58Å; V462-F516 HydrophobicContact CG1-CZ 3.85Å; N463-F516 PolarHBondContact O-N 3.44Å; I465-F516 HydrophobicContact CD1-CE1 4.18Å; I465-F516 HydrophobicContact CG1-CE1 3.9Å; I465-F516 HydrophobicContact CG1-CZ 4.39Å; F514-F516 AromaticContact CD1-CD1 3.88Å; F514-F516 HydrophobicContact CD1-CD1 3.88Å; F514-F516 HydrophobicContact CD1-CE1 4.02Å; F514-F516 AromaticContact CE1-CD1 3.66Å; F514-F516 HydrophobicContact CE1-CD1 3.66Å; F514-F516 AromaticContact CE1-CE1 4Å; F514-F516 HydrophobicContact CE1-CE1 4Å; F516-W520 HydrophobicContact CB-CB 4.42Å; F516-W520 HydrophobicContact CB-CE3 4.36Å; F516-W520 AromaticContact CD1-CE3 3.7Å; F516-W520 HydrophobicContact CD1-CE3 3.7Å; F516-W520 AromaticContact CD1-CZ3 3.83Å; F516-W520 HydrophobicContact CD1-CZ3 3.83Å; F516-W520 HydrophobicContact CD2-CE3 4.31Å; F516-W520 AromaticContact CE1-CE3 3.97Å; F516-W520 HydrophobicContact CE1-CE3 3.97Å; F516-W520 AromaticContact CE1-CZ3 3.76Å; F516-W520 HydrophobicContact CE1-CZ3 3.76Å; F516-W520 AromaticContact CG-CE3 3.88Å; F516-W520 HydrophobicContact CG-CE3 3.88Å; F516-W520 HydrophobicContact CG-CZ3 4.47Å; F516-W520 HydrophobicContact CZ-CE3 4.41Å; F516-W520 HydrophobicContact CZ-CZ3 4.36Å; F516-I524 HydrophobicContact CD2-CD1 3.45Å; F516-I524 VanDerWaalsContact CD2-CD1 3.45Å; F516-I524 HydrophobicContact CE2-CD1 3.69Å; F516-I524 HydrophobicContact CG-CD1 4.44Å; F516-L530 HydrophobicContact CE2-CD2 4.19Å; F516-I532 HydrophobicContact CE1-CD1 3.96Å; F516-I532 HydrophobicContact CE2-CD1 4.23Å; F516-I532 HydrophobicContact CZ-CD1 3.45Å; F516-I532 VanDerWaalsContact CZ-CD1 3.45Å
517	P	89.7	Confident	85.4	Confident	38 Å²	38	46.4 Å²	46.4	25%	0.247	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-57.4	151.1	172	-25.4	35	0	0	0	111.8	F514 L515 E519 W520	F514-P517 HydrophobicContact CZ-CG 4.2Å; L515-P517 WeakPolarHBondContact O-CD 3.49Å; P517-E519 HydrophobicContact CB-CG 4.1Å; P517-E519 WeakPolarHBondContact CB-OE1 3.11Å; P517-E519 WeakPolarHBondContact CB-OE2 2.93Å; P517-E519 PolarHBondContact O-N 3Å; P517-E519 VanDerWaalsContact O-N 3.15Å; P517-W520 WeakPolarHBondContact O-CB 3.23Å; P517-W520 PolarHBondContact O-N 3.3Å
518	S	83.2	Confident	84.8	Confident	43 Å²	43	52.8 Å²	52.8	30%	0.301	29%	0.288	S	S	.	.	H	α-helix	trans	-57.5	-33.8	-175.8	68	0	0	0	0	113.1	W520 K521	S518-W520 PolarHBondContact O-N 3.48Å; S518-K521 WeakPolarHBondContact O-CB 3.32Å; S518-K521 PolarHBondContact O-N 3.4Å; S518-K521 VanDerWaalsContact O-N 3.09Å
519	E	83.5	Confident	84.9	Confident	109 Å²	109	56.7 Å²	56.7	51%	0.509	31%	0.308	S	S	.	.	H	α-helix	trans	-67.6	-16.2	177.7	63.2	-89.1	-158.9	0	0	113.8	P517 T522	P517-E519 HydrophobicContact CB-CG 4.1Å; P517-E519 WeakPolarHBondContact CB-OE1 3.11Å; P517-E519 WeakPolarHBondContact CB-OE2 2.93Å; P517-E519 PolarHBondContact O-N 3Å; P517-E519 VanDerWaalsContact O-N 3.15Å; E519-T522 PolarHBondContact O-OG1 2.76Å
520	W	87.9	Confident	85	Confident	29 Å²	29	56 Å²	56	11%	0.11	30%	0.304	C	S	.	.	H	α-helix	trans	-79.8	-26.7	172.4	-75.4	25.4	0	0	0	111.7	F514 F516 P517 S518 T522 K523 I524 I532 F549 I551	F514-W520 HydrophobicContact CE1-CE3 4.31Å; F514-W520 AromaticContact CE1-CH2 3.68Å; F514-W520 HydrophobicContact CE1-CH2 3.68Å; F514-W520 HydrophobicContact CE1-CZ2 4.38Å; F514-W520 AromaticContact CE1-CZ3 3.63Å; F514-W520 HydrophobicContact CE1-CZ3 3.63Å; F514-W520 HydrophobicContact CZ-CH2 4.02Å; F514-W520 HydrophobicContact CZ-CZ2 4.27Å; F514-W520 HydrophobicContact CZ-CZ3 4.27Å; F516-W520 HydrophobicContact CB-CB 4.42Å; F516-W520 HydrophobicContact CB-CE3 4.36Å; F516-W520 AromaticContact CD1-CE3 3.7Å; F516-W520 HydrophobicContact CD1-CE3 3.7Å; F516-W520 AromaticContact CD1-CZ3 3.83Å; F516-W520 HydrophobicContact CD1-CZ3 3.83Å; F516-W520 HydrophobicContact CD2-CE3 4.31Å; F516-W520 AromaticContact CE1-CE3 3.97Å; F516-W520 HydrophobicContact CE1-CE3 3.97Å; F516-W520 AromaticContact CE1-CZ3 3.76Å; F516-W520 HydrophobicContact CE1-CZ3 3.76Å; F516-W520 AromaticContact CG-CE3 3.88Å; F516-W520 HydrophobicContact CG-CE3 3.88Å; F516-W520 HydrophobicContact CG-CZ3 4.47Å; F516-W520 HydrophobicContact CZ-CE3 4.41Å; F516-W520 HydrophobicContact CZ-CZ3 4.36Å; P517-W520 WeakPolarHBondContact O-CB 3.23Å; P517-W520 PolarHBondContact O-N 3.3Å; S518-W520 PolarHBondContact O-N 3.48Å; W520-T522 VanDerWaalsContact C-N 3.28Å; W520-T522 PolarHBondContact O-N 3.1Å; W520-K523 PolarHBondContact O-N 2.68Å; W520-K523 VanDerWaalsContact O-N 3.1Å; W520-I524 HydrophobicContact CB-CD1 4.06Å; W520-I524 VanDerWaalsContact O-CG1 3.24Å; W520-I524 WeakPolarHBondContact O-CG1 3.37Å; W520-I524 PolarHBondContact O-N 2.67Å; W520-I532 HydrophobicContact CE3-CD1 4.49Å; W520-I532 HydrophobicContact CZ3-CD1 3.86Å; W520-F549 HydrophobicContact CH2-CB 3.83Å; W520-I551 HydrophobicContact CB-CD1 3.88Å; W520-I551 HydrophobicContact CD2-CD1 3.45Å; W520-I551 VanDerWaalsContact CD2-CD1 3.45Å; W520-I551 HydrophobicContact CD2-CG1 3.85Å; W520-I551 HydrophobicContact CE3-CD1 3.66Å; W520-I551 HydrophobicContact CE3-CG1 3.76Å; W520-I551 HydrophobicContact CG-CD1 3.56Å; W520-I551 HydrophobicContact CG-CG1 4.46Å; W520-I551 HydrophobicContact CH2-CG1 4.18Å; W520-I551 HydrophobicContact CZ2-CG1 4.29Å; W520-I551 HydrophobicContact CZ3-CD1 4.36Å; W520-I551 HydrophobicContact CZ3-CG1 3.94Å
521	K	80.6	Confident	84.9	Confident	90 Å²	90	58.3 Å²	58.3	39%	0.391	31%	0.309	S	S	.	.	H	α-helix	trans	-56.8	-42.6	-177.8	-66.2	-176.4	-178.9	176.2	0	111.8	S376 S518 I524 S525	S376-K521 PolarHBondContact OG-NZ 2.87Å; S376-K521 VanDerWaalsContact OG-NZ 3.15Å; S518-K521 WeakPolarHBondContact O-CB 3.32Å; S518-K521 PolarHBondContact O-N 3.4Å; S518-K521 VanDerWaalsContact O-N 3.09Å; K521-I524 PolarHBondContact O-N 2.92Å; K521-S525 WeakPolarHBondContact O-CB 3.32Å; K521-S525 PolarHBondContact O-N 2.93Å; K521-S525 VanDerWaalsContact O-N 3.08Å; K521-S525 PolarHBondContact O-OG 3.09Å
522	T	76	Confident	84.8	Confident	100 Å²	100	58.2 Å²	58.2	61%	0.613	31%	0.309	S	S	*	.	H	α-helix	trans	-66	-42	178.2	56.6	0	0	0	0	112.1	E519 W520 S525	E519-T522 PolarHBondContact O-OG1 2.76Å; W520-T522 VanDerWaalsContact C-N 3.28Å; W520-T522 PolarHBondContact O-N 3.1Å; T522-S525 PolarHBondContact O-N 2.57Å; T522-S525 PolarHBondContact O-OG 3.25Å
523	K	78.9	Confident	84.7	Confident	115 Å²	115	58.6 Å²	58.6	50%	0.5	31%	0.311	S	S	.	.	H	α-helix	trans	-68.7	-33.8	178.5	-63.6	-179.8	-178.2	175.2	0	113.4	W520 S526 I551	W520-K523 PolarHBondContact O-N 2.68Å; W520-K523 VanDerWaalsContact O-N 3.1Å; K523-S526 PolarHBondContact O-OG 3.06Å; K523-I551 HydrophobicContact CB-CD1 4.11Å; K523-I551 HydrophobicContact CD-CD1 4.38Å
524	I	81.2	Confident	84.6	Confident	16 Å²	16	58.5 Å²	58.5	8%	0.082	31%	0.311	C	S	.	.	H	α-helix	trans	-73.1	-42.6	178.1	-66	164.8	0	0	0	109.8	F516 W520 K521 S526 N527 L530 I551	F516-I524 HydrophobicContact CD2-CD1 3.45Å; F516-I524 VanDerWaalsContact CD2-CD1 3.45Å; F516-I524 HydrophobicContact CE2-CD1 3.69Å; F516-I524 HydrophobicContact CG-CD1 4.44Å; W520-I524 HydrophobicContact CB-CD1 4.06Å; W520-I524 VanDerWaalsContact O-CG1 3.24Å; W520-I524 WeakPolarHBondContact O-CG1 3.37Å; W520-I524 PolarHBondContact O-N 2.67Å; K521-I524 PolarHBondContact O-N 2.92Å; I524-S526 PolarHBondContact O-N 3.12Å; I524-S526 VanDerWaalsContact O-N 3.11Å; I524-N527 PolarHBondContact O-N 3.09Å; I524-N527 VanDerWaalsContact O-N 3.1Å; I524-L530 HydrophobicContact CD1-CD2 4.24Å; I524-L530 HydrophobicContact CG1-CD1 3.84Å; I524-L530 HydrophobicContact CG1-CD2 4.15Å; I524-L530 HydrophobicContact CG2-CD2 4.12Å; I524-I551 HydrophobicContact CG1-CD1 4.14Å
525	S	71.6	Confident	84.5	Confident	101 Å²	101	58.9 Å²	58.9	71%	0.706	31%	0.314	S	S	*	.	H	α-helix	trans	-62.3	-20.4	-177.2	68.4	0	0	0	0	114.7	K521 T522	K521-S525 WeakPolarHBondContact O-CB 3.32Å; K521-S525 PolarHBondContact O-N 2.93Å; K521-S525 VanDerWaalsContact O-N 3.08Å; K521-S525 PolarHBondContact O-OG 3.09Å; T522-S525 PolarHBondContact O-N 2.57Å; T522-S525 PolarHBondContact O-OG 3.25Å
526	S	66.4	Low	84.3	Confident	88 Å²	88	58.1 Å²	58.1	62%	0.615	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-11.2	178.3	58.4	0	0	0	0	114.5	K523 I524	K523-S526 PolarHBondContact O-OG 3.06Å; I524-S526 PolarHBondContact O-N 3.12Å; I524-S526 VanDerWaalsContact O-N 3.11Å
527	N	65	Low	84.1	Confident	71 Å²	71	61.4 Å²	61.4	38%	0.38	33%	0.329	S	S	.	.			trans	-110.1	126.7	-171	-72.7	-2.1	0	0	0	111.6	I524 L529	I524-N527 PolarHBondContact O-N 3.09Å; I524-N527 VanDerWaalsContact O-N 3.1Å; N527-L529 PolarHBondContact O-N 2.73Å
528	D	72.8	Confident	84.1	Confident	167 Å²	167	60.7 Å²	60.7	89%	0.893	32%	0.322	S	S	*	.	S	Bend	trans	-66.7	-21	170.9	-70.5	-26.4	0	0	0	112.5
529	L	86.8	Confident	84.3	Confident	86 Å²	86	61.8 Å²	61.8	45%	0.45	32%	0.324	S	S	.	.	S	Bend	trans	-136.8	114	178.7	-169.8	74.5	0	0	0	110	T456 N527 R531	T456-L529 HydrophobicContact CG2-CD1 3.63Å; T456-L529 HydrophobicContact CG2-CD2 4Å; T456-L529 HydrophobicContact CG2-CG 3.85Å; N527-L529 PolarHBondContact O-N 2.73Å; L529-R531 HydrophobicContact CD2-CG 4.17Å; L529-R531 HydrophobicContact CG-CG 4.28Å
530	L	89.4	Confident	84.2	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	123.5	175	178	58.1	0	0	0	109.7	T456 A457 V462 F516 I524 I532 I551	T456-L530 WeakPolarHBondContact CA-O 3.38Å; A457-L530 HydrophobicContact CB-CB 4.39Å; A457-L530 PolarHBondContact N-O 3.33Å; A457-L530 PolarHBondContact O-N 3.33Å; V462-L530 HydrophobicContact CB-CD2 3.9Å; V462-L530 HydrophobicContact CG1-CD2 4.15Å; V462-L530 HydrophobicContact CG2-CD2 4.06Å; F516-L530 HydrophobicContact CE2-CD2 4.19Å; I524-L530 HydrophobicContact CD1-CD2 4.24Å; I524-L530 HydrophobicContact CG1-CD1 3.84Å; I524-L530 HydrophobicContact CG1-CD2 4.15Å; I524-L530 HydrophobicContact CG2-CD2 4.12Å; L530-I532 HydrophobicContact CD1-CD1 4.21Å; L530-I532 HydrophobicContact CD1-CG1 3.97Å; L530-I532 HydrophobicContact CD2-CD1 4.13Å; L530-I532 HydrophobicContact CG-CD1 4.19Å; L530-I532 HydrophobicContact CG-CG1 4.06Å; L530-I551 HydrophobicContact CD1-CG2 4.31Å
531	R	92.6	Very high	84	Confident	122 Å²	122	63.5 Å²	63.5	46%	0.46	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	126.9	174.9	-64.6	178.8	70.1	-173.9	-0.1	109.4	T454 L455 T456 L529 L552	T454-R531 HydrophobicContact CG2-CB 4.09Å; L455-R531 WeakPolarHBondContact O-CA 3.34Å; T456-R531 HydrophobicContact CG2-CG 4.14Å; L529-R531 HydrophobicContact CD2-CG 4.17Å; L529-R531 HydrophobicContact CG-CG 4.28Å; R531-L552 HydrophobicContact CB-CB 4.06Å; R531-L552 HydrophobicContact CB-CD1 4.31Å; R531-L552 PolarHBondContact O-N 3.22Å
532	I	93.9	Very high	84.2	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.5	-179.4	-54.6	-172.5	0	0	0	108.6	L365 T454 L455 I465 F516 W520 L530 F549 K550	L365-I532 HydrophobicContact CD2-CD1 3.61Å; L365-I532 HydrophobicContact CD2-CG1 4.36Å; T454-I532 CarbonylContact C-O 3.54Å; T454-I532 WeakPolarHBondContact CA-O 3.44Å; L455-I532 PolarHBondContact N-O 2.83Å; L455-I532 PolarHBondContact O-N 3.2Å; I465-I532 HydrophobicContact CD1-CG2 4.33Å; F516-I532 HydrophobicContact CE1-CD1 3.96Å; F516-I532 HydrophobicContact CE2-CD1 4.23Å; F516-I532 HydrophobicContact CZ-CD1 3.45Å; F516-I532 VanDerWaalsContact CZ-CD1 3.45Å; W520-I532 HydrophobicContact CE3-CD1 4.49Å; W520-I532 HydrophobicContact CZ3-CD1 3.86Å; L530-I532 HydrophobicContact CD1-CD1 4.21Å; L530-I532 HydrophobicContact CD1-CG1 3.97Å; L530-I532 HydrophobicContact CD2-CD1 4.13Å; L530-I532 HydrophobicContact CG-CD1 4.19Å; L530-I532 HydrophobicContact CG-CG1 4.06Å; I532-F549 HydrophobicContact CG2-CB 4.22Å; I532-K550 CarbonylContact C-O 3.57Å; I532-K550 WeakPolarHBondContact CA-O 3.37Å
533	S	95.3	Very high	84.6	Confident	8 Å²	8	59.9 Å²	59.9	6%	0.056	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	127	166.3	177.9	0	0	0	0	108.7	Q452 N453 F549 K550	Q452-S533 WeakPolarHBondContact CG-OG 3.23Å; Q452-S533 PolarHBondContact NE2-OG 2.9Å; N453-S533 WeakPolarHBondContact O-CA 3.45Å; S533-F549 WeakPolarHBondContact O-CA 3.4Å; S533-K550 PolarHBondContact N-O 3.03Å; S533-K550 PolarHBondContact O-N 2.53Å
534	A	96.2	Very high	85	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	128.5	178	0	0	0	0	0	109.8	I424 N453 L455 F549	I424-A534 HydrophobicContact CG2-CB 3.66Å; N453-A534 PolarHBondContact N-O 3.26Å; N453-A534 PolarHBondContact O-N 2.99Å; L455-A534 HydrophobicContact CD1-CB 4.06Å; A534-F549 HydrophobicContact CB-CD1 3.69Å; A534-F549 HydrophobicContact CB-CE1 3.83Å
535	C	94.1	Very high	85.4	Confident	16 Å²	16	58.1 Å²	58.1	11%	0.108	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	164.3	170.6	61.6	0	0	0	0	109	Q452 S548	Q452-C535 HydrophobicContact CB-CB 4.24Å; Q452-C535 HydrophobicContact CG-CB 4.42Å; C535-S548 PolarHBondContact N-O 2.79Å; C535-S548 VanDerWaalsContact N-O 3.14Å; C535-S548 PolarHBondContact O-N 3.33Å
536	M	92.8	Very high	86.3	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	127.6	172.7	-177	177.7	-86.2	0	0	108.1	W329 I361 I424 F425 C450 L467 L545 S546 P547	W329-M536 HydrophobicContact CH2-CE 3.87Å; W329-M536 HydrophobicContact CZ2-CE 3.67Å; I361-M536 HydrophobicContact CD1-SD 3.44Å; I361-M536 WeakPolarHBondContact CD1-SD 3.39Å; I361-M536 HydrophobicContact CG2-CE 4.48Å; I361-M536 HydrophobicContact CG2-SD 4.29Å; I424-M536 HydrophobicContact CD1-CB 4.09Å; I424-M536 HydrophobicContact CD1-CE 4.33Å; I424-M536 HydrophobicContact CG1-CB 4.48Å; I424-M536 PolarHBondContact O-N 3.05Å; F425-M536 HydrophobicContact CB-CB 4.19Å; F425-M536 WeakPolarHBondContact CD2-O 3.29Å; C450-M536 PolarHBondContact SG-O 3.4Å; L467-M536 HydrophobicContact CD2-CE 4.06Å; M536-L545 HydrophobicContact CG-CB 3.95Å; M536-L545 HydrophobicContact CG-CD2 3.82Å; M536-L545 HydrophobicContact CG-CG 4.46Å; M536-L545 HydrophobicContact SD-CB 3.72Å; M536-L545 HydrophobicContact SD-CD1 4.26Å; M536-L545 HydrophobicContact SD-CD2 3.87Å; M536-L545 HydrophobicContact SD-CG 4.16Å; M536-S546 WeakPolarHBondContact CA-O 3.29Å; M536-P547 HydrophobicContact CE-CB 3.85Å; M536-P547 HydrophobicContact CE-CG 4.09Å
537	D	89.2	Confident	87.6	Confident	86 Å²	86	53.2 Å²	53.2	46%	0.46	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	147.7	177.7	-69.3	-36.3	0	0	0	109.7	C450 L545 S546	C450-D537 PolarHBondContact SG-OD1 3.12Å; D537-L545 CarbonylContact O-C 3.52Å; D537-L545 WeakPolarHBondContact O-CA 3.19Å; D537-S546 PolarHBondContact N-O 2.72Å; D537-S546 PolarHBondContact O-N 3.17Å
538	F	88	Confident	88.9	Confident	24 Å²	24	52.6 Å²	52.6	11%	0.105	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	120.5	-179.5	179.7	-126.9	0	0	0	110.2	L332 W335 Y336 F425 M427 I448 I540 G543 L545	L332-F538 HydrophobicContact CD1-CE2 3.94Å; L332-F538 HydrophobicContact CD1-CZ 4.06Å; W335-F538 HydrophobicContact CE3-CZ 4.49Å; W335-F538 HydrophobicContact CH2-CE1 4.02Å; W335-F538 AromaticContact CZ3-CE1 3.7Å; W335-F538 HydrophobicContact CZ3-CE1 3.7Å; W335-F538 AromaticContact CZ3-CZ 3.84Å; W335-F538 HydrophobicContact CZ3-CZ 3.84Å; Y336-F538 HydrophobicContact CE2-CZ 4.4Å; Y336-F538 WeakPolarHBondContact OH-CZ 3.31Å; F425-F538 HydrophobicContact CE2-CB 3.61Å; F425-F538 HydrophobicContact CE2-CG 4.42Å; F425-F538 HydrophobicContact CZ-CB 3.93Å; F425-F538 HydrophobicContact CZ-CG 4.25Å; M427-F538 HydrophobicContact CE-CE1 4.11Å; M427-F538 HydrophobicContact SD-CE1 4.38Å; I448-F538 HydrophobicContact CD1-CD1 3.55Å; I448-F538 HydrophobicContact CD1-CE1 4.11Å; I448-F538 HydrophobicContact CG1-CD1 4.04Å; I448-F538 HydrophobicContact CG2-CB 4.35Å; F538-I540 HydrophobicContact CE1-CB 4.29Å; F538-I540 HydrophobicContact CE1-CG1 4.35Å; F538-I540 PolarHBondContact O-N 2.79Å; F538-G543 WeakPolarHBondContact CE2-O 3.3Å; F538-L545 HydrophobicContact CB-CD2 3.67Å; F538-L545 HydrophobicContact CD2-CD2 3.75Å; F538-L545 HydrophobicContact CD2-CG 3.75Å; F538-L545 HydrophobicContact CE2-CG 4.43Å; F538-L545 HydrophobicContact CG-CD2 4.05Å
539	D	87.4	Confident	90	Very high	65 Å²	65	45.7 Å²	45.7	35%	0.348	25%	0.249	S	C	.	.			trans	-87.7	106.5	167.8	178.9	1.7	0	0	0	109.4	F541 T542 G543 V544	D539-F541 PolarHBondContact O-N 2.71Å; D539-F541 PolarHBondContact OD1-N 2.86Å; D539-T542 VanDerWaalsContact CB-OG1 3.29Å; D539-T542 WeakPolarHBondContact CB-OG1 3.35Å; D539-T542 PolarHBondContact O-N 3.39Å; D539-T542 VanDerWaalsContact OD2-CG2 3.25Å; D539-T542 WeakPolarHBondContact OD2-CG2 3.14Å; D539-T542 PolarHBondContact OD2-OG1 3.42Å; D539-G543 WeakPolarHBondContact O-CA 3.29Å; D539-G543 PolarHBondContact O-N 3.28Å; D539-V544 PolarHBondContact N-O 2.83Å
540	I	82.4	Confident	90.3	Very high	15 Å²	15	48.3 Å²	48.3	8%	0.077	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.8	-179.4	-166.7	169.4	0	0	0	113.6	W335 Y336 Y441 F538	W335-I540 HydrophobicContact CH2-CD1 3.51Å; W335-I540 HydrophobicContact CH2-CG1 3.62Å; W335-I540 HydrophobicContact CZ2-CD1 4.3Å; W335-I540 HydrophobicContact CZ3-CD1 4.4Å; W335-I540 HydrophobicContact CZ3-CG1 4.02Å; Y336-I540 VanDerWaalsContact CE1-O 3.31Å; Y336-I540 WeakPolarHBondContact CE1-O 3.42Å; Y336-I540 PolarHBondContact OH-O 2.89Å; Y441-I540 HydrophobicContact CE1-CD1 4.1Å; Y441-I540 HydrophobicContact CE1-CG1 4.21Å; Y441-I540 HydrophobicContact CE1-CG2 4.06Å; Y441-I540 HydrophobicContact CE2-CD1 4.17Å; Y441-I540 HydrophobicContact CE2-CG1 4.34Å; Y441-I540 PolarHBondContact OH-O 3.35Å; F538-I540 HydrophobicContact CE1-CB 4.29Å; F538-I540 HydrophobicContact CE1-CG1 4.35Å; F538-I540 PolarHBondContact O-N 2.79Å
541	F	83.3	Confident	90.3	Very high	160 Å²	160	49.4 Å²	49.4	70%	0.702	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-31.4	-178.5	-65.2	-76.5	0	0	0	112.2	Y441 D539	Y441-F541 HydrophobicContact CD1-CE1 4.3Å; Y441-F541 HydrophobicContact CE1-CD1 4Å; Y441-F541 AromaticContact CE1-CE1 3.52Å; Y441-F541 HydrophobicContact CE1-CE1 3.52Å; Y441-F541 AromaticContact CE1-CZ 3.98Å; Y441-F541 HydrophobicContact CE1-CZ 3.98Å; D539-F541 PolarHBondContact O-N 2.71Å; D539-F541 PolarHBondContact OD1-N 2.86Å
542	T	85.2	Confident	90.1	Very high	89 Å²	89	49.4 Å²	49.4	55%	0.546	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-19.2	-177.6	59.4	0	0	0	0	112.8	D539 V544	D539-T542 VanDerWaalsContact CB-OG1 3.29Å; D539-T542 WeakPolarHBondContact CB-OG1 3.35Å; D539-T542 PolarHBondContact O-N 3.39Å; D539-T542 VanDerWaalsContact OD2-CG2 3.25Å; D539-T542 WeakPolarHBondContact OD2-CG2 3.14Å; D539-T542 PolarHBondContact OD2-OG1 3.42Å; T542-V544 PolarHBondContact O-N 3.44Å; T542-V544 WeakPolarHBondContact OG1-CG2 3.36Å; T542-V544 PolarHBondContact OG1-N 3.42Å
543	G	84.7	Confident	90	Very high	24 Å²	24	51.9 Å²	51.9	25%	0.247	29%	0.285	C	S	.	.			trans	75.9	4.2	-170.8	0	0	0	0	0	114.3	Y336 F538 D539	Y336-G543 WeakPolarHBondContact OH-CA 3.44Å; Y336-G543 PolarHBondContact OH-N 2.73Å; F538-G543 WeakPolarHBondContact CE2-O 3.3Å; D539-G543 WeakPolarHBondContact O-CA 3.29Å; D539-G543 PolarHBondContact O-N 3.28Å
544	V	87.8	Confident	89.7	Confident	78 Å²	78	54.2 Å²	54.2	47%	0.473	30%	0.297	S	S	.	.			trans	-77.9	127.1	-176.7	178.2	0	0	0	0	110.3	D539 T542	D539-V544 PolarHBondContact N-O 2.83Å; T542-V544 PolarHBondContact O-N 3.44Å; T542-V544 WeakPolarHBondContact OG1-CG2 3.36Å; T542-V544 PolarHBondContact OG1-N 3.42Å
545	L	89.6	Confident	89.3	Confident	16 Å²	16	57.2 Å²	57.2	8%	0.084	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	112.2	169.5	-81.9	162.7	0	0	0	109.2	W329 L332 I361 F425 M536 D537 F538 P547	W329-L545 HydrophobicContact CB-CD1 3.58Å; W329-L545 HydrophobicContact CD2-CD1 4.27Å; W329-L545 HydrophobicContact CG-CD1 3.4Å; W329-L545 VanDerWaalsContact CG-CD1 3.4Å; L332-L545 HydrophobicContact CD1-CD1 4.29Å; I361-L545 HydrophobicContact CD1-CD1 3.65Å; I361-L545 HydrophobicContact CD1-CD2 4.4Å; F425-L545 HydrophobicContact CD1-CD2 4.35Å; F425-L545 HydrophobicContact CD2-CD2 3.98Å; F425-L545 HydrophobicContact CE1-CD2 4.09Å; F425-L545 HydrophobicContact CE2-CD2 3.7Å; F425-L545 HydrophobicContact CG-CD2 4.28Å; F425-L545 HydrophobicContact CZ-CD2 3.76Å; M536-L545 HydrophobicContact CG-CB 3.95Å; M536-L545 HydrophobicContact CG-CD2 3.82Å; M536-L545 HydrophobicContact CG-CG 4.46Å; M536-L545 HydrophobicContact SD-CB 3.72Å; M536-L545 HydrophobicContact SD-CD1 4.26Å; M536-L545 HydrophobicContact SD-CD2 3.87Å; M536-L545 HydrophobicContact SD-CG 4.16Å; D537-L545 CarbonylContact O-C 3.52Å; D537-L545 WeakPolarHBondContact O-CA 3.19Å; F538-L545 HydrophobicContact CB-CD2 3.67Å; F538-L545 HydrophobicContact CD2-CD2 3.75Å; F538-L545 HydrophobicContact CD2-CG 3.75Å; F538-L545 HydrophobicContact CE2-CG 4.43Å; F538-L545 HydrophobicContact CG-CD2 4.05Å; L545-P547 WeakPolarHBondContact O-CD 3.35Å
546	S	90.5	Very high	89	Confident	61 Å²	61	59.6 Å²	59.6	43%	0.427	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	106.9	-176.7	-64.4	0	0	0	0	110.8	M536 D537	M536-S546 WeakPolarHBondContact CA-O 3.29Å; D537-S546 PolarHBondContact N-O 2.72Å; D537-S546 PolarHBondContact O-N 3.17Å
547	P	92.2	Very high	88.8	Confident	26 Å²	26	63.4 Å²	63.4	17%	0.169	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	146.1	176.6	19	-13.9	0	0	0	111.7	L404 I405 M536 L545 F549	L404-P547 HydrophobicContact CD2-CG 4.23Å; I405-P547 HydrophobicContact CD1-CB 4.35Å; I405-P547 HydrophobicContact CD1-CG 3.9Å; I405-P547 HydrophobicContact CG1-CB 4.27Å; I405-P547 HydrophobicContact CG1-CG 3.38Å; M536-P547 HydrophobicContact CE-CB 3.85Å; M536-P547 HydrophobicContact CE-CG 4.09Å; L545-P547 WeakPolarHBondContact O-CD 3.35Å; P547-F549 HydrophobicContact CB-CE2 3.74Å; P547-F549 HydrophobicContact CB-CZ 3.89Å; P547-F549 HydrophobicContact CG-CE2 4.47Å
548	S	93.5	Very high	88.8	Confident	58 Å²	58	61.9 Å²	61.9	41%	0.406	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	115.5	171.9	162.7	0	0	0	0	109.8	C535	C535-S548 PolarHBondContact N-O 2.79Å; C535-S548 VanDerWaalsContact N-O 3.14Å; C535-S548 PolarHBondContact O-N 3.33Å
549	F	94.7	Very high	88.8	Confident	22 Å²	22	64.6 Å²	64.6	10%	0.096	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.9	175.4	-52.5	-68.2	0	0	0	110.8	L404 I405 I465 L467 F514 W520 I532 S533 A534 P547	L404-F549 HydrophobicContact CD2-CD2 4.35Å; I405-F549 HydrophobicContact CD1-CE2 3.65Å; I405-F549 HydrophobicContact CD1-CZ 4.11Å; I465-F549 HydrophobicContact CD1-CB 4.33Å; I465-F549 HydrophobicContact CD1-CD1 3.41Å; I465-F549 VanDerWaalsContact CD1-CD1 3.41Å; I465-F549 HydrophobicContact CD1-CD2 4.33Å; I465-F549 HydrophobicContact CD1-CE1 3.69Å; I465-F549 HydrophobicContact CD1-CG 3.77Å; I465-F549 HydrophobicContact CD1-CZ 4.26Å; I465-F549 HydrophobicContact CG2-CE1 4.3Å; I465-F549 HydrophobicContact CG2-CZ 4.47Å; L467-F549 HydrophobicContact CD1-CZ 4.29Å; L467-F549 HydrophobicContact CD2-CZ 4.04Å; F514-F549 HydrophobicContact CB-CD2 4.24Å; F514-F549 HydrophobicContact CB-CE2 3.82Å; F514-F549 HydrophobicContact CB-CZ 4.49Å; F514-F549 AromaticContact CD1-CD2 3.7Å; F514-F549 HydrophobicContact CD1-CD2 3.7Å; F514-F549 HydrophobicContact CD1-CE2 4.14Å; F514-F549 HydrophobicContact CD1-CG 4.23Å; F514-F549 HydrophobicContact CD2-CD2 4.09Å; F514-F549 HydrophobicContact CD2-CE2 4.29Å; F514-F549 HydrophobicContact CE1-CB 4.21Å; F514-F549 HydrophobicContact CE1-CD2 4Å; F514-F549 HydrophobicContact CE1-CG 4.36Å; F514-F549 HydrophobicContact CE2-CD2 4.4Å; F514-F549 AromaticContact CG-CD2 3.73Å; F514-F549 HydrophobicContact CG-CD2 3.73Å; F514-F549 AromaticContact CG-CE2 3.81Å; F514-F549 HydrophobicContact CG-CE2 3.81Å; F514-F549 HydrophobicContact CZ-CD2 4.34Å; W520-F549 HydrophobicContact CH2-CB 3.83Å; I532-F549 HydrophobicContact CG2-CB 4.22Å; S533-F549 WeakPolarHBondContact O-CA 3.4Å; A534-F549 HydrophobicContact CB-CD1 3.69Å; A534-F549 HydrophobicContact CB-CE1 3.83Å; P547-F549 HydrophobicContact CB-CE2 3.74Å; P547-F549 HydrophobicContact CB-CZ 3.89Å; P547-F549 HydrophobicContact CG-CE2 4.47Å
550	K	92.8	Very high	88.9	Confident	140 Å²	140	64.5 Å²	64.5	61%	0.609	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.5	125.4	179.7	-175.1	178.2	177.4	-177.7	0	111.2	I532 S533 L552	I532-K550 CarbonylContact C-O 3.57Å; I532-K550 WeakPolarHBondContact CA-O 3.37Å; S533-K550 PolarHBondContact N-O 3.03Å; S533-K550 PolarHBondContact O-N 2.53Å; K550-L552 PolarHBondContact O-N 3.34Å
551	I	90	Very high	89.5	Confident	28 Å²	28	68.7 Å²	68.7	14%	0.144	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	128.1	167.7	-60.1	175.1	0	0	0	108.4	W520 K523 I524 L530	W520-I551 HydrophobicContact CB-CD1 3.88Å; W520-I551 HydrophobicContact CD2-CD1 3.45Å; W520-I551 VanDerWaalsContact CD2-CD1 3.45Å; W520-I551 HydrophobicContact CD2-CG1 3.85Å; W520-I551 HydrophobicContact CE3-CD1 3.66Å; W520-I551 HydrophobicContact CE3-CG1 3.76Å; W520-I551 HydrophobicContact CG-CD1 3.56Å; W520-I551 HydrophobicContact CG-CG1 4.46Å; W520-I551 HydrophobicContact CH2-CG1 4.18Å; W520-I551 HydrophobicContact CZ2-CG1 4.29Å; W520-I551 HydrophobicContact CZ3-CD1 4.36Å; W520-I551 HydrophobicContact CZ3-CG1 3.94Å; K523-I551 HydrophobicContact CB-CD1 4.11Å; K523-I551 HydrophobicContact CD-CD1 4.38Å; I524-I551 HydrophobicContact CG1-CD1 4.14Å; L530-I551 HydrophobicContact CD1-CG2 4.31Å
552	L	89.6	Confident	90.1	Very high	122 Å²	122	60.4 Å²	60.4	64%	0.639	35%	0.349	S	S	*	.			trans	-89.3	0	-178.7	-67.5	179.9	0	0	0	113.2	T454 R531 K550	T454-L552 HydrophobicContact CG2-CD1 3.74Å; R531-L552 HydrophobicContact CB-CB 4.06Å; R531-L552 HydrophobicContact CB-CD1 4.31Å; R531-L552 PolarHBondContact O-N 3.22Å; K550-L552 PolarHBondContact O-N 3.34Å

Retrieved 552 of 552 residues in 185.8 ms (Link to these results)

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